#DEFINITION	Reference Metabolome for Hydrangea macrophylla
#IDENTTFIER	RefMeta-Hydrangea macrophylla.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Hydrangea macrophylla
#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 Hydrangea macrophylla 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	1000.5706
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40356	0.2
71.08627	1.4
71.49717	0.1
71.50121	0.2
71.63918	0.2
73.02904	0.4
79.05489	0.6
81.03421	4.2
81.07045	1.4
83.08623	1.8
85.02904	1.5
85.10184	0.6
89.06055	0.2
91.03941	0.8
91.05468	1.0
92.02511	0.3
93.07039	0.5
95.04960	1.3
95.08591	1.4
97.02917	1.3
97.10178	0.2
105.07045	0.9
107.04946	0.4
107.08585	0.5
108.34124	0.2
109.10155	0.6
111.04461	0.3
111.08069	0.5
115.03950	0.2
117.06982	0.2
119.03551	1.1
119.08579	0.6
121.06499	0.2
121.10106	0.4
127.03959	0.2
129.07025	0.4
131.08553	0.5
133.06447	0.2
133.10118	0.3
136.06184	100.0
137.04587	1.7
145.04930	0.2
145.10172	0.2
147.08087	0.2
147.11708	0.3
149.09666	0.2
157.10101	0.4
175.11183	0.6
178.07306	0.3
193.12244	1.9
202.07356	0.2
239.23737	0.2
267.15903	5.8
267.18671	0.4
286.39038	0.2
291.19244	0.2
292.76273	0.2
294.33395	0.2
298.11456	0.6
313.27356	5.8
337.63135	0.2
401.21027	0.2
406.31122	0.2
505.38901	4.3
523.39746	0.3
609.87781	0.2
641.43896	0.2
658.45190	1.7
676.46356	3.5
820.50500	2.3
838.51721	3.8
982.56470	2.3
1000.57074	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.7
56.05038	44.6
56.96565	9.5
57.04556	5.5
58.02964	1.3
58.05338	2.7
58.06602	2.2
58.37407	1.0
58.46803	0.9
58.96161	4.5
59.06124	100.0
59.96190	1.3
59.99940	1.0
60.04232	2.0
60.04525	29.5
60.95849	8.9
69.04560	2.2
69.85383	5.8
72.06891	3.6
72.08149	3.7
73.07674	1.5
74.06081	6.3
78.00997	0.9
83.01527	2.6
83.06113	9.8
84.01221	1.4
84.04501	11.1
84.08138	1.2
88.02368	1.5
96.02057	1.0
98.20750	1.0
100.02467	1.8
101.00892	8.1
101.02556	22.5
101.06107	1.2
101.07143	25.4
102.02253	7.1
115.78799	1.0
118.03552	1.5
118.98216	2.3
119.01921	61.7
119.03606	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	101.0601
Annotation	2-Ethylacrylic acid
Peak:m/z	Relative Intensity
53.03938	0.4
53.83501	0.2
55.05514	13.5
56.05038	18.2
56.96568	3.7
57.04564	3.3
57.05357	0.4
57.07101	0.2
58.02972	1.1
58.05347	1.4
58.06604	1.0
59.05005	30.9
59.06125	100.0
60.04527	12.2
60.05343	0.3
60.06457	0.4
60.95855	0.9
67.51075	0.5
69.04561	0.7
69.25881	0.3
69.26285	1.9
71.06122	0.2
72.06898	1.6
72.08159	0.5
73.07656	1.0
74.06076	1.7
79.01867	0.6
83.04983	29.4
84.04510	5.0
84.05314	0.5
84.06882	0.9
84.08127	0.5
88.02385	0.8
101.03508	0.6
101.06079	3.5
101.07143	12.7
101.10777	0.2
102.04734	0.2
102.05526	0.6
102.09161	0.5
111.78001	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	102.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03768	0.5
53.03947	1.0
54.03463	1.7
55.01857	0.9
56.05035	36.5
56.96564	69.5
57.05368	0.8
58.02976	0.6
58.06590	0.8
58.50541	1.3
58.96161	0.6
58.99873	0.7
59.06122	3.6
59.52204	0.9
59.96177	3.8
60.04527	1.9
60.05811	0.6
60.06455	1.9
60.95853	100.0
60.99611	4.1
62.06105	0.8
64.02197	0.9
67.03005	0.7
67.51062	8.4
68.70403	0.5
69.69518	3.7
70.01328	0.8
71.02962	0.8
74.06079	2.1
74.94865	0.9
74.97605	1.8
75.94563	3.5
76.51588	6.7
77.00900	1.0
78.96883	0.9
79.00658	4.0
79.01854	14.1
79.02722	1.2
80.03513	1.1
81.03410	0.7
81.04546	0.9
82.01441	1.7
82.05322	9.4
83.06107	8.7
84.01184	6.2
84.04498	5.3
84.06384	0.7
84.08123	1.0
84.96019	1.0
85.02928	0.9
85.52090	1.3
86.03443	0.7
86.06064	0.9
88.02370	19.7
88.03242	2.2
88.51602	1.2
88.52563	0.9
89.04009	2.4
90.52644	0.7
91.03593	0.6
91.54295	4.3
91.94779	0.6
96.44997	0.5
97.01703	1.3
97.02895	16.4
99.53110	0.7
99.54021	2.0
100.02483	12.5
100.05018	0.7
100.54826	1.8
101.02567	1.0
101.97182	0.8
102.01001	1.7
102.02235	60.6
102.05554	2.8
102.07468	0.7
102.09185	1.9
102.12833	1.3
102.91199	1.1
102.96860	7.6
103.00642	0.8
103.08707	1.9
106.03429	2.2
108.53669	0.7
115.01167	2.4
118.03517	9.7
119.01925	1.5
119.03603	1.3
119.98261	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.9
51.02370	2.5
53.03950	22.7
55.01866	1.4
56.05038	6.1
56.96552	2.2
57.03428	1.1
57.04538	1.6
57.05377	6.4
58.02950	2.4
58.06597	8.3
58.77104	0.6
59.06124	13.2
60.04531	3.2
60.08169	7.6
60.95845	2.6
61.04046	0.7
62.06090	16.9
68.05035	1.5
69.03429	1.7
70.94225	1.0
70.94559	0.8
71.01344	0.9
72.06886	1.1
73.07678	3.2
75.05605	2.8
76.28883	0.6
77.03939	4.9
81.03426	2.9
85.02914	1.5
85.04815	0.9
85.07677	3.9
86.06072	12.5
86.09688	1.2
87.04463	2.7
95.04969	52.4
101.85048	0.5
102.04672	5.3
103.03986	2.1
103.05467	100.0
103.08702	30.2
104.05800	2.3
104.10741	14.1
105.04507	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.1
51.02374	3.2
53.03945	20.1
54.04280	0.8
55.01861	1.2
56.05037	3.5
56.96554	0.8
57.03422	0.7
57.05362	3.0
58.02951	1.5
58.06601	5.9
59.06127	6.1
60.04514	2.1
60.08157	4.2
60.46394	0.6
60.95842	1.5
62.06084	8.6
68.04991	0.6
69.03451	0.7
70.95683	1.2
70.96056	1.2
72.04471	0.6
73.01145	1.0
73.07684	1.2
74.06052	0.9
75.05595	1.3
77.03922	4.5
81.03404	2.5
85.04828	0.9
85.07663	2.1
86.06055	6.1
87.04463	1.5
95.04961	47.9
102.04688	4.8
103.05463	100.0
103.08698	17.7
104.05792	2.7
104.10724	8.9
105.04515	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.9
51.02383	2.2
52.55220	0.4
53.03950	17.0
55.01872	1.0
56.05042	1.3
56.96559	1.9
57.03447	0.6
57.05377	1.2
58.02954	0.4
58.06595	1.7
59.06124	6.6
60.04532	1.0
60.08160	2.3
60.23858	0.4
60.95830	0.6
62.06082	1.5
65.30408	0.4
71.01356	93.5
71.49072	0.6
72.01685	0.8
75.05579	0.8
77.03932	3.3
81.03426	2.0
86.06071	2.3
87.04451	0.5
95.04970	41.9
102.04682	4.8
103.04031	3.9
103.05470	100.0
103.08676	2.5
104.05804	1.8
104.10739	5.0
105.04510	9.2
105.05167	0.8
109.30053	0.4
117.13860	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	3.9
59.07376	1.4
60.08162	45.1
61.08495	0.4
69.03435	0.2
70.19696	0.5
74.47355	0.1
79.35439	0.1
87.04462	0.4
88.07638	0.2
89.58482	0.1
94.72925	0.1
104.10739	100.0
105.10409	0.2
105.11059	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02382	1.7
53.03947	11.0
65.03935	3.9
66.65955	0.9
77.03937	3.3
79.05492	48.0
95.04964	20.9
103.05467	30.4
105.03415	1.2
105.04514	5.2
105.07033	100.0
106.07346	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12714	1.3
50.52134	1.1
53.03764	1.1
53.03950	12.0
54.40305	1.3
56.66871	1.2
57.78276	1.2
65.03920	2.3
69.59377	4.5
69.59806	3.7
77.03921	3.0
79.05500	48.8
91.05474	1.8
95.04973	24.3
98.20819	2.7
103.05476	28.7
105.04527	5.4
105.07039	100.0
105.11115	1.7
106.06612	1.2
106.07377	3.4
117.01300	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02372	1.5
53.03944	12.0
65.03941	2.0
69.36259	1.1
70.69906	2.5
70.70249	1.8
75.92001	1.2
77.03919	2.9
79.05492	48.8
86.05798	1.2
95.04965	23.1
103.04818	2.2
103.05470	30.1
105.04514	4.7
105.07031	100.0
106.07372	2.6
107.62983	1.1
123.99390	1.1
124.91537	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	Unknow
Peak:m/z	Relative Intensity
50.01590	0.9
51.02383	3.0
53.03948	18.2
54.04280	0.6
55.01867	1.1
56.34798	0.2
56.70374	0.2
65.03934	0.4
70.46581	0.8
71.21671	0.2
77.03934	5.0
79.05493	17.9
80.05822	0.4
81.03416	2.2
91.05462	0.9
94.53273	0.2
95.04969	37.9
96.05299	1.1
105.04518	8.0
105.07036	0.3
107.04957	100.0
108.05285	3.9
116.66084	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	Unknow
Peak:m/z	Relative Intensity
50.01588	0.5
51.02380	3.0
53.03947	19.3
54.04270	0.6
55.01868	1.1
58.64694	0.2
65.03944	1.2
67.05498	0.4
71.04442	0.6
71.10986	0.3
77.03931	4.7
78.04726	0.4
79.01860	0.3
79.05492	23.1
80.05016	0.6
80.05833	0.6
81.03415	2.8
91.05482	7.7
95.04967	38.8
96.05304	0.8
105.04515	9.9
105.07032	1.8
105.73312	0.2
107.04953	100.0
107.08595	2.4
108.05252	2.6
109.06509	1.3
115.93576	0.2
116.51550	0.2
119.06071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01598	1.0
51.02380	2.7
51.22685	0.2
53.03948	16.8
54.04274	0.3
55.01868	0.9
56.98901	0.2
57.15142	0.2
71.62602	0.2
76.37030	0.2
77.03928	4.6
78.04720	0.4
79.05495	16.5
80.05802	0.5
81.03417	1.9
86.50375	0.2
95.04966	35.9
96.05281	0.5
105.04516	8.4
107.04955	100.0
108.05293	2.8
115.46322	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
50.01591	0.5
50.54731	0.2
51.02377	1.0
53.03948	6.1
55.01875	1.2
55.05500	0.4
56.72570	0.2
63.02387	0.3
65.03939	12.6
67.05501	3.3
71.10324	0.4
71.10661	0.2
77.03928	1.7
79.05491	27.5
80.05021	0.5
80.05837	0.6
81.03413	0.8
91.05478	100.0
92.05795	1.6
92.06268	2.6
95.04966	16.5
96.05305	0.3
103.05467	0.7
105.04523	3.6
105.07027	28.9
106.04169	0.6
106.06604	0.2
106.07355	0.5
107.04952	40.1
107.08587	27.8
108.05252	1.1
108.08179	0.2
108.08902	0.6
109.06513	15.4
110.06871	0.2
119.06066	5.3
124.05215	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
51.02385	2.5
53.03949	15.5
55.01868	1.3
55.05499	0.5
65.03944	9.3
67.05508	3.6
69.59554	1.9
70.13880	0.3
77.03929	4.5
78.04694	0.4
79.05497	44.8
80.05021	2.4
80.05830	0.8
81.03416	1.6
91.05486	70.1
92.05807	1.0
92.06316	2.6
95.04972	37.7
103.05502	0.4
105.04525	9.7
105.07037	20.8
106.06586	0.4
106.07327	0.6
107.04959	100.0
107.08595	20.9
108.05238	2.7
108.08905	0.4
109.06522	10.6
119.06063	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01592	0.4
51.02382	1.2
52.24621	0.3
53.03950	6.6
55.01869	1.1
59.13155	0.2
65.03942	13.6
67.05505	1.8
67.12125	0.3
70.48402	1.2
77.03928	2.4
79.05495	19.1
80.05829	0.3
81.03415	0.9
91.05485	100.0
92.05764	2.1
92.06306	2.4
95.04971	17.5
96.05289	0.5
102.99847	0.3
103.05455	0.7
105.04528	3.7
105.07034	29.8
106.04173	0.7
106.07380	1.0
106.45010	0.3
107.04958	42.6
107.08595	32.7
108.04650	0.3
108.05229	1.4
108.08943	0.7
109.06522	17.8
110.06869	0.7
118.06451	0.3
119.06075	6.5
120.06392	0.3
124.05214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.4
51.02374	0.9
51.82333	0.3
53.03717	0.6
53.03949	7.9
55.01858	1.0
55.15205	0.3
55.15499	0.4
57.39265	0.3
65.03940	14.0
67.05504	3.2
71.10575	0.9
74.62057	0.4
77.03936	2.4
79.05493	28.1
80.05011	1.3
80.05840	0.7
81.03426	1.2
91.05478	100.0
92.05782	1.5
92.06259	3.2
95.04964	18.6
96.05281	0.4
103.05482	0.5
105.04517	4.0
105.07030	27.3
106.04185	0.7
106.07354	0.7
107.04955	44.3
107.08590	31.4
108.05331	1.3
108.08089	0.4
108.08894	0.6
109.06515	17.3
110.06854	0.7
119.05251	0.6
119.06057	5.7
121.79501	0.4
124.05167	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02380	0.5
53.03945	3.7
55.01875	1.0
55.05503	0.4
63.02383	0.3
65.03938	13.3
67.05511	2.7
69.54587	1.7
77.03932	1.2
79.05492	22.1
80.05820	0.6
81.03415	0.5
91.05478	100.0
92.05764	1.5
92.06295	2.6
95.04963	9.6
96.05284	0.3
98.21532	0.3
103.05457	0.6
105.04527	1.8
105.07030	28.0
106.07353	0.6
107.04952	22.9
107.08588	28.3
108.05309	0.6
108.08943	0.7
109.06514	16.4
119.06055	5.7
124.05225	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.8
51.02386	3.3
51.02597	0.5
53.03948	19.8
55.01871	1.0
59.28572	0.5
64.40474	0.5
65.03945	9.5
67.05511	2.8
69.43600	1.8
69.44017	2.7
77.03937	4.7
79.05496	39.3
80.05006	1.5
81.03416	2.2
91.05486	70.2
92.05775	1.2
92.06267	2.3
92.11935	0.6
95.04971	38.2
96.05294	0.8
105.04518	8.8
105.06332	1.1
105.07032	20.2
106.04177	0.7
107.04958	100.0
107.08594	22.8
108.04679	0.5
108.05247	3.1
108.08966	0.6
109.06526	11.4
119.06107	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.6
51.02377	1.6
52.95664	0.3
53.03950	7.1
55.01878	1.0
63.02373	0.4
64.63123	0.2
65.03944	12.3
66.03468	0.4
66.04268	0.3
67.04244	0.3
67.05513	2.5
70.64661	0.5
70.65031	0.5
77.03938	2.3
78.04714	0.4
79.05495	23.7
80.05017	1.2
80.05831	0.6
81.03422	1.1
91.05482	100.0
92.05746	1.5
92.06309	2.7
92.64986	0.2
95.04968	20.2
96.05302	0.4
103.05476	0.7
105.04525	4.6
105.07034	28.8
106.04185	0.5
106.06620	0.3
106.07391	0.8
107.04958	49.4
107.08592	31.3
108.05328	1.0
108.08170	0.4
108.08910	0.6
109.06520	16.7
110.06809	0.3
119.06068	6.2
124.05195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02377	1.8
53.03948	24.5
55.05515	3.7
65.03936	2.9
67.05505	34.9
68.05041	1.7
69.04562	1.1
69.07066	1.9
70.09767	0.6
70.78638	2.0
79.05502	6.0
80.05039	0.6
80.06268	0.9
80.67343	0.6
81.03419	86.4
81.07061	13.6
82.03760	1.5
82.06559	1.4
87.79171	0.6
91.05486	2.8
94.04165	3.6
94.07840	0.8
103.10131	0.7
107.04967	1.7
107.08586	0.9
109.02879	100.0
109.06517	11.0
109.07642	3.6
109.10150	15.0
110.03219	2.3
110.06071	0.8
110.07156	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02373	0.6
51.49481	0.3
53.03945	9.9
55.01872	1.1
55.05511	10.7
65.03943	5.6
66.04729	0.5
67.02992	0.4
67.05505	100.0
68.05032	5.2
68.05836	2.9
69.04562	1.0
69.07069	6.7
69.41930	2.9
79.05494	12.6
80.05002	0.5
80.05846	0.6
80.06277	1.1
81.03419	26.9
81.07056	34.8
82.03758	0.6
82.06593	3.7
82.07378	1.0
91.05489	2.1
92.05015	0.6
94.04195	2.8
94.07816	1.4
95.04965	0.8
98.21484	0.8
107.04988	0.6
107.08597	4.2
109.02879	21.9
109.05824	0.8
109.06516	9.0
109.07645	8.6
109.10156	40.5
110.03194	1.0
110.06087	1.7
110.07198	3.3
110.07938	0.7
110.10460	1.7
123.85630	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03946	1.7
55.05511	11.6
56.05029	0.4
57.07064	0.4
59.10246	0.4
65.03941	4.2
66.93333	0.3
67.05502	100.0
68.05035	2.8
68.05824	2.3
69.04556	2.6
69.07066	6.9
71.94102	0.4
72.93803	0.6
74.99818	0.5
77.99942	0.4
79.05492	8.2
80.06277	1.3
81.03402	2.2
81.07053	32.0
82.06590	0.7
82.07388	0.7
83.06119	0.6
86.00719	1.0
86.50613	1.7
87.00457	9.1
91.05491	1.2
93.04514	0.8
94.04171	0.5
94.07829	1.5
96.01004	2.2
98.01426	0.7
98.20733	0.7
98.51248	3.0
105.07014	0.5
107.08585	3.3
109.02869	1.3
109.06503	1.2
109.07669	2.6
109.10153	49.4
110.02049	0.7
110.06023	0.5
110.07166	8.9
110.10466	1.8
112.96717	0.9
113.96393	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.24864	0.3
53.03950	6.1
55.01875	0.7
55.05515	11.2
55.71986	0.3
65.03945	5.4
66.04739	0.5
66.20096	0.3
67.05508	100.0
67.24117	0.3
67.93578	0.3
68.05036	4.0
68.05842	2.3
68.17860	0.3
69.04547	2.4
69.07075	7.1
69.54116	2.2
79.05498	11.5
80.05869	0.5
80.06295	1.3
80.60768	0.3
81.03423	17.7
81.07059	33.8
82.03761	0.6
82.06591	1.7
82.07405	0.9
83.06117	0.6
87.00479	1.1
91.05468	2.1
92.05021	0.6
93.04561	0.3
94.04196	1.2
94.07835	1.4
95.04987	0.5
105.07014	0.4
107.04958	0.5
107.08596	3.9
109.02890	16.7
109.05770	0.2
109.06522	7.7
109.07652	5.8
109.10161	47.5
110.03219	0.4
110.06122	1.5
110.07179	10.3
110.10491	2.0
113.96430	0.5
125.87114	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	110.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01868	11.6
55.05509	42.7
56.05020	5.7
56.96563	100.0
57.03434	2.7
58.06606	1.4
59.16225	1.2
59.81168	1.2
60.95830	1.5
65.03938	15.8
67.05499	8.7
68.02633	1.7
68.05019	6.8
68.99805	4.6
69.03430	9.8
69.04552	5.3
69.07055	5.2
70.06593	44.1
70.94252	6.5
71.48861	1.5
71.93014	2.0
71.95264	11.7
72.96048	1.9
73.68937	1.3
74.97612	1.8
81.07031	1.8
82.05319	19.7
82.06566	4.3
83.01299	1.6
83.04983	28.7
83.06096	24.9
83.08640	2.1
84.01582	1.6
84.04503	1.7
84.08131	4.4
84.96046	2.1
85.02926	1.8
85.72836	1.4
86.01298	1.7
88.95301	4.1
91.05466	4.3
93.03423	4.0
93.07046	6.6
94.02929	2.0
94.06577	7.2
95.01315	1.6
95.02450	9.6
95.04963	3.7
96.06862	4.7
97.01020	4.6
97.02296	1.5
98.97519	1.6
100.02485	3.5
106.96323	1.7
107.00167	1.6
109.52307	1.4
110.97563	2.9
111.00807	6.9
111.04438	70.2
111.05564	35.2
111.08082	15.4
111.09200	94.8
112.03938	2.6
112.05089	39.8
112.06245	2.8
112.07584	8.6
116.98640	1.5
118.03498	3.1
122.43919	1.4
128.98599	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	111.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67816	0.5
53.00292	0.6
53.03954	4.3
54.03468	0.9
55.01873	5.9
55.05513	25.4
56.05032	4.7
56.05854	0.6
57.03436	1.3
58.06599	0.9
65.03934	2.5
67.05503	4.3
67.52763	0.4
68.02637	1.8
68.05030	6.3
68.99816	0.5
69.03429	5.6
69.04552	2.1
69.07063	2.0
70.02940	0.9
70.06592	53.4
70.55779	1.8
70.94267	1.5
70.95873	0.6
71.04982	0.7
71.06104	0.6
71.06969	0.9
71.07365	7.2
79.05499	2.8
81.03388	0.7
81.04547	0.7
81.07059	3.3
82.05325	0.6
82.06594	1.4
83.04980	7.8
83.06104	5.0
83.08624	2.0
84.04499	1.9
84.08144	6.5
84.08941	0.5
85.07687	1.0
88.00499	0.8
88.95277	0.8
91.05480	6.8
93.03400	0.6
93.04587	0.5
93.07047	7.2
93.57156	0.5
94.02912	0.6
94.06569	9.9
95.01337	0.6
95.04972	4.5
95.06088	2.6
96.05672	0.8
96.06879	6.8
97.01012	2.8
110.07169	2.0
111.03322	1.0
111.04452	16.8
111.05579	9.2
111.08080	20.7
111.09209	100.0
112.03960	1.5
112.06210	1.4
112.07612	5.0
112.08727	9.0
112.09538	2.5
112.11259	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	111.0808
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
51.61224	0.5
53.03950	5.8
54.03453	1.3
55.01875	7.6
55.05511	40.1
55.97005	0.5
56.05032	2.9
56.05844	0.9
56.96566	1.0
57.03434	2.7
65.03951	3.5
67.05504	6.4
68.02645	3.8
68.05025	6.1
69.03437	6.1
69.04564	2.6
69.07082	2.7
70.02948	0.8
70.06591	49.7
70.28913	0.7
70.94253	1.6
70.95861	0.8
71.05000	0.9
71.06114	0.7
71.06975	0.9
71.07365	5.4
71.48335	0.7
71.48717	0.8
73.15646	0.6
79.05507	2.8
81.03415	1.3
81.07053	3.5
82.06592	0.9
83.04983	10.1
83.06094	3.8
83.08611	2.4
84.04523	0.7
84.08149	5.8
85.02928	0.7
85.07674	1.3
88.00484	2.4
88.41690	0.5
88.95313	0.6
91.05479	9.0
93.03402	0.7
93.07048	9.9
94.06567	9.4
94.07434	0.8
95.04974	6.0
95.06074	1.9
96.02082	0.8
96.05652	1.1
96.06864	6.8
97.01012	2.3
97.02890	0.7
105.04527	1.5
106.01520	0.6
110.07148	2.7
111.03365	1.1
111.03575	0.8
111.04441	23.3
111.05573	8.7
111.08076	27.1
111.09201	100.0
112.03948	1.4
112.05136	1.2
112.06219	2.2
112.07640	4.4
112.08717	9.4
112.09526	2.4
115.96429	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	112.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01901	0.2
54.03469	1.7
55.01868	0.3
55.05500	0.6
56.05027	0.9
56.96564	4.3
57.03418	0.3
58.06599	0.3
67.01846	0.3
67.02983	1.1
67.05493	0.6
68.01392	1.1
68.05005	0.5
69.03429	4.3
69.04548	9.8
69.07056	0.5
69.51338	0.7
69.51770	0.6
70.02597	0.3
70.02952	3.6
70.06590	2.9
70.94250	0.3
70.98109	0.5
71.02475	0.5
71.04987	0.2
71.06926	0.3
71.94105	1.4
71.95264	0.5
81.03432	0.2
81.04537	3.0
82.06572	0.7
83.06090	0.3
84.01572	0.5
84.04509	0.3
84.08143	3.1
85.02901	0.3
85.04023	0.2
85.07665	0.2
86.06052	0.2
88.61101	0.2
88.99174	0.3
93.02081	0.2
94.04054	4.5
94.06571	0.8
95.02449	27.8
95.06075	0.4
96.00856	2.1
96.01439	0.3
96.02782	0.2
96.08124	0.4
98.01295	0.3
98.08474	0.2
98.97562	0.3
100.02451	0.3
107.62543	0.2
112.05086	100.0
112.07594	7.4
112.08730	0.8
112.09554	0.6
112.11242	2.2
112.99996	0.2
113.02361	3.8
113.03489	5.0
113.04713	0.4
113.05418	1.3
113.07124	1.8
113.10741	0.2
119.01893	0.2
128.98621	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	112.0508
Annotation	Cytosine
Peak:m/z	Relative Intensity
52.01889	0.6
56.96574	1.7
67.02977	1.0
68.01379	1.1
69.04190	0.5
69.04552	9.5
69.73026	0.8
69.73450	1.1
70.02950	3.7
70.06583	1.2
70.25698	0.3
71.02465	0.3
71.94090	0.6
75.88788	0.2
82.61745	0.3
84.08111	0.5
94.04044	4.2
95.02448	28.9
96.00858	2.1
98.04832	0.3
112.05084	100.0
112.11202	0.6
113.02363	1.4
113.03486	5.3
113.05422	0.9
116.66812	0.3
122.77331	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	1129.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04709	0.3
79.01845	1.6
79.05489	17.2
81.02933	0.6
81.03414	11.3
81.07053	2.0
83.01338	0.5
83.04979	4.9
84.08136	0.5
85.02907	3.6
86.09719	0.5
86.56156	0.3
87.04461	0.7
87.64304	0.3
91.05476	8.3
93.03403	0.4
93.07040	8.5
94.04172	1.2
95.01331	0.8
95.04963	23.9
95.08597	1.0
96.02150	0.3
97.02888	4.7
97.06515	0.6
99.04423	1.6
103.03945	1.2
103.05463	13.4
105.03391	2.2
105.04491	1.5
105.07035	1.5
107.04951	71.5
108.05286	0.6
109.02872	83.2
109.06512	5.7
110.03174	0.6
111.04445	7.7
111.08083	0.5
115.03922	0.5
115.05428	0.6
117.07066	0.5
119.04935	0.8
121.02871	0.9
121.06501	16.7
122.03615	0.7
122.06860	0.3
123.00838	0.3
123.04428	7.1
125.01491	0.6
125.02345	8.1
125.05962	1.0
127.03906	4.6
128.06244	0.3
129.05487	0.3
129.06961	0.4
131.04926	9.5
131.05862	0.4
133.02837	3.1
133.06496	1.1
135.04404	7.1
137.05966	3.4
139.03896	79.7
139.07457	1.6
140.04257	0.6
141.05426	2.2
145.04942	1.1
145.06429	0.3
147.04396	1.3
149.02383	0.8
149.05975	31.4
151.03896	20.9
151.05167	0.6
153.05473	3.5
153.06705	0.4
157.04974	0.8
159.04416	7.8
159.08040	0.5
161.06033	0.5
163.03973	0.3
163.07535	1.0
165.05467	100.0
166.05774	1.0
167.03380	0.9
167.07034	21.9
173.04454	0.6
175.03922	1.1
177.05463	68.9
178.05746	0.8
179.07002	0.4
181.04965	0.6
181.08607	2.0
183.06519	1.0
183.08014	0.4
189.05441	1.0
189.07492	0.6
191.05667	0.3
191.07028	8.7
193.04996	0.3
195.06516	13.9
203.07083	0.5
207.06493	0.4
209.08080	90.0
210.08463	0.6
211.07544	0.4
213.07603	0.4
219.06647	0.4
227.09128	11.4
227.11392	0.6
251.08994	0.4
269.06482	1.0
269.10190	0.6
292.80548	0.3
295.08090	1.8
301.09146	0.9
303.08499	0.5
321.09589	2.8
339.10745	6.0
353.12152	1.2
357.11926	0.8
367.11539	0.3
371.13400	3.1
483.14954	0.4
501.16815	0.4
515.15619	0.9
521.16644	0.5
547.17841	0.7
579.20508	1.0
965.56104	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	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
54.03465	3.6
55.01852	1.5
55.05504	6.5
56.05021	2.2
57.03430	5.0
57.07076	83.5
58.06588	3.1
58.07413	1.5
58.48503	1.1
60.04512	4.1
65.03947	10.6
67.01846	2.5
67.05505	100.0
68.05022	4.0
68.05833	2.5
69.03385	1.5
69.07069	3.8
69.65263	3.7
69.65688	4.6
70.02959	1.9
70.06593	8.7
71.04993	20.4
71.06116	2.0
71.94101	3.3
72.04498	2.4
72.08147	2.0
72.93790	15.7
74.04809	5.3
83.06090	5.7
85.06547	27.1
85.07664	2.7
90.94825	4.0
95.04391	2.3
95.04967	33.4
95.06100	4.1
96.04488	2.1
96.06855	1.2
96.08128	5.4
107.64607	1.1
113.02372	46.7
113.03522	3.7
113.06000	23.8
113.07148	8.9
113.10770	2.9
114.06651	2.2
114.09168	3.6
114.10286	1.9
131.21683	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	114.0917
Annotation	epsilon-Caprolactam
Peak:m/z	Relative Intensity
53.03948	3.7
54.03469	1.7
55.01876	10.6
55.05509	7.6
55.93525	0.9
56.05035	9.5
56.96565	90.8
57.03437	9.0
57.04552	1.0
57.05814	3.7
57.07073	1.4
58.02950	1.3
58.03775	0.5
58.06598	6.5
58.99593	0.4
58.99863	1.7
59.05008	3.5
60.04524	0.7
60.95848	1.6
61.02922	1.3
65.41880	0.4
67.01877	0.9
67.02964	0.5
67.04242	0.5
67.05506	3.2
68.02187	0.6
68.02621	0.6
68.05029	14.5
68.05828	0.5
68.99797	1.0
69.03432	12.9
69.04539	3.4
69.07068	13.3
70.02956	8.2
70.06596	20.0
70.47601	0.4
70.79820	0.9
70.80153	0.5
70.98109	1.5
70.99818	0.4
71.01350	2.3
71.02451	3.0
71.03286	12.2
71.04988	5.5
71.06088	0.9
71.06941	1.1
71.07378	0.4
71.08626	0.9
71.94093	1.9
71.95271	2.8
72.04519	19.9
72.05660	0.5
72.08150	5.7
72.93787	74.6
72.96043	1.5
73.02920	3.3
73.04021	0.7
73.06551	0.6
73.07685	1.1
73.93814	0.8
74.04820	2.9
74.06078	3.5
74.50040	0.6
74.97590	2.9
75.01052	0.8
75.01921	0.5
75.04494	0.5
76.02683	0.5
77.00880	4.7
78.52964	0.9
79.05493	8.9
80.02938	0.4
80.05011	1.9
81.01923	0.5
81.03415	1.4
81.05798	4.0
81.99993	0.7
82.01438	1.3
82.02645	0.5
82.05327	0.7
82.06567	1.2
83.00772	1.2
83.01321	0.9
83.04971	1.0
83.06111	0.8
83.50547	4.4
83.97629	3.9
84.01572	1.8
84.04501	1.1
84.08140	9.7
84.96031	1.1
85.02901	3.5
85.04035	0.7
85.05289	10.1
85.08469	0.8
85.08932	0.9
86.01306	1.8
86.03233	0.5
86.06062	10.7
86.07198	0.8
86.09707	18.2
87.00820	1.0
87.01902	0.6
87.04484	2.3
87.05595	1.2
87.09246	0.9
87.10036	0.6
87.53462	0.5
88.02695	2.3
88.05118	2.2
88.51577	0.8
88.99155	1.3
89.00812	1.0
90.01546	0.5
90.94825	30.4
91.00520	3.7
91.02363	0.5
91.03210	0.5
91.94871	0.5
92.01299	0.6
92.51073	1.3
92.98669	1.3
93.01920	0.6
93.53474	0.5
94.06570	1.6
95.01370	0.8
95.01949	2.9
95.04961	1.1
96.00861	0.8
96.02783	1.5
96.04492	1.5
96.05663	2.5
96.06178	0.5
96.08129	18.2
97.00597	0.6
97.01183	12.6
97.02281	0.7
97.02866	6.5
97.04003	2.2
97.05949	0.6
97.06530	4.6
97.07650	4.3
97.08427	0.8
97.52115	0.9
97.99199	0.8
98.01281	3.3
98.03532	1.5
98.06051	2.0
98.52756	0.5
98.53584	0.4
98.97583	2.4
99.02095	0.5
99.06828	0.6
99.53492	0.5
100.01048	2.9
100.02473	16.3
101.00868	1.9
101.02588	2.1
101.98669	1.5
102.02338	2.3
102.52498	0.7
102.53115	1.2
103.00539	0.8
103.02401	1.1
105.00333	1.7
105.08642	1.8
107.00169	1.1
107.01800	0.4
108.95863	14.4
109.02874	0.5
109.08904	0.5
110.97562	0.5
111.00272	1.0
111.02968	5.4
111.03713	0.8
111.09241	0.4
111.52998	1.5
111.53654	5.5
112.02816	1.7
112.03742	1.1
112.07633	2.4
112.54424	1.3
113.00896	0.8
113.96423	3.2
114.02698	9.3
114.03829	23.1
114.05534	17.9
114.06647	3.9
114.09165	100.0
114.10283	4.8
115.02405	1.9
115.03930	3.9
115.05057	1.1
115.06198	0.9
115.08687	3.8
115.09510	2.3
116.00204	0.8
116.98622	3.7
118.01126	0.8
118.03519	21.5
119.01066	1.0
119.01920	17.3
119.03622	2.4
119.99706	1.4
120.02018	1.8
120.03333	2.0
120.54160	1.5
121.01628	2.0
121.03458	1.4
121.54917	0.5
122.09628	0.5
122.52168	0.6
123.01347	1.3
123.04005	0.7
124.02456	0.5
126.96914	0.7
128.98584	0.8
131.01900	8.6
131.97435	5.7
131.99666	1.5
132.01994	1.6
132.05064	1.5
132.97849	0.5
133.01625	2.3
133.03476	4.0
134.01239	0.8
134.99648	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	115.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75537	0.9
52.83843	0.8
56.05040	8.0
56.96568	1.6
57.04551	1.5
57.93580	1.5
59.03744	1.1
65.03957	1.4
69.03411	1.5
69.07067	5.0
70.02960	1.2
70.06586	7.2
71.49392	1.3
72.04503	0.9
72.93788	1.4
73.07680	12.1
73.93845	1.0
74.06071	2.1
74.93830	11.4
75.05604	1.3
79.05510	1.1
84.29746	0.8
89.03904	2.9
90.73572	0.9
92.94872	2.6
96.75334	0.8
97.06538	2.6
97.07633	2.3
98.06046	1.5
115.05458	100.0
115.08705	1.6
115.09497	2.0
115.96413	1.3
116.05687	1.7
116.06267	3.1
116.07091	1.7
133.97505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	2.4
65.03922	1.7
69.07044	1.0
70.06580	2.3
70.40563	2.1
73.07675	3.4
74.93815	2.7
78.74044	0.6
89.00806	0.6
89.03913	4.6
97.07655	0.8
98.06082	0.7
98.64099	0.7
115.05450	100.0
116.05669	1.2
116.06241	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	115.0757
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
53.00305	0.9
53.03954	3.7
55.01875	6.2
55.05514	11.6
56.03770	1.2
56.05042	5.7
56.96561	1.0
57.03436	12.9
57.04555	1.0
57.93549	0.7
58.02962	0.7
58.06591	1.2
59.03741	1.7
59.04996	1.8
59.06117	0.9
59.19326	0.6
67.05502	6.3
69.03424	3.0
69.04553	1.0
69.07069	100.0
69.85013	1.3
69.85428	2.0
70.06593	8.1
70.07389	3.0
71.04988	1.8
72.08165	1.2
72.93771	1.4
73.06554	18.6
73.07674	5.7
73.93839	1.6
74.04823	0.8
74.06082	2.2
74.93835	4.8
77.70713	0.7
79.05492	19.6
80.05806	0.8
82.05328	1.8
87.04488	1.0
92.94879	1.4
95.04990	2.6
97.02938	0.6
97.06531	49.6
97.07642	2.1
98.06059	2.2
98.06873	1.8
99.05603	0.8
109.24395	0.6
115.05526	1.6
115.07609	4.6
115.08714	2.7
115.09545	2.5
116.07114	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	116.0709
Annotation	Proline
Peak:m/z	Relative Intensity
53.03928	2.6
55.01875	10.3
55.05509	69.9
56.01380	1.5
56.05032	18.3
56.05825	1.3
56.96563	30.5
57.03428	2.9
57.04553	3.6
57.05368	1.0
57.93568	5.0
58.02948	3.7
58.06599	11.1
59.04990	3.6
59.06121	47.0
60.04515	7.3
61.02935	1.5
66.00632	1.0
68.05028	2.3
68.07974	1.0
69.03427	5.2
69.07044	1.0
70.02943	1.6
70.06589	100.0
71.04990	52.0
71.05387	2.3
71.06094	2.1
71.06939	2.5
71.49099	1.5
71.95237	1.8
72.04512	4.2
72.08142	8.1
73.02911	1.2
73.04056	1.3
74.02441	3.7
74.06072	5.1
74.93166	1.5
74.93825	28.1
75.05605	15.3
76.04003	4.2
76.07636	12.3
77.00767	1.4
80.05025	1.7
81.03382	1.2
81.04574	1.2
84.04498	1.7
84.51231	0.9
85.02905	3.5
86.06059	2.6
86.09731	1.0
87.09204	2.2
88.04005	1.8
88.07626	14.4
91.00540	1.1
92.94862	11.4
93.03704	1.7
95.01237	1.0
95.07333	1.4
98.06049	63.1
98.07091	2.4
98.09701	5.6
98.97576	13.1
99.04456	1.5
99.05588	5.6
99.06348	1.8
99.09176	0.9
100.03937	1.5
100.07598	4.6
101.88079	0.9
110.95873	2.0
111.22180	0.9
115.05465	2.1
115.96444	2.7
116.07088	92.9
116.08291	5.4
116.10711	7.8
116.97251	2.4
116.98611	16.9
117.05431	1.3
117.06609	5.3
117.07444	2.5
117.10244	15.5
133.97444	2.0
134.98665	1.9
134.99644	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	116.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	83.7
58.95422	10.4
68.52563	8.4
69.32102	55.5
69.32511	20.4
69.59242	8.2
71.95243	12.3
92.55594	8.7
93.85098	7.9
96.91428	8.5
98.20830	21.4
98.97597	96.4
100.02482	16.1
106.66034	9.6
116.98617	100.0
118.03483	16.7
118.51084	10.2
119.21161	11.0
128.66628	7.6
132.96890	8.8
134.99678	78.6
136.00095	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	1164.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03417	6.8
81.07059	1.0
81.57832	0.2
83.01344	0.3
83.04978	2.2
84.08150	0.5
85.02911	2.1
85.06541	0.2
86.09702	0.5
87.04470	0.4
88.52231	0.2
91.05479	5.6
93.07037	4.9
94.04193	0.5
95.01306	0.4
95.04964	17.2
95.08592	0.6
97.02893	2.6
97.06517	0.5
99.04443	0.7
102.04766	0.2
103.03970	1.1
103.05462	7.9
105.03410	1.3
105.04504	1.2
105.07028	1.0
107.04951	67.5
108.05238	0.9
109.02872	64.1
109.06506	4.5
109.37158	0.2
110.03217	0.7
111.04435	3.3
111.08067	0.5
117.07001	0.4
119.04974	0.3
119.08518	0.2
120.06651	0.2
121.02845	0.4
121.06496	12.7
122.03667	0.4
123.00797	0.4
123.04430	4.7
125.02349	6.1
125.05984	0.7
127.03920	3.0
128.06128	0.2
129.10231	0.3
131.04924	4.9
133.02855	1.9
133.06447	0.5
134.92107	0.2
135.04413	4.1
137.05954	2.3
139.03897	36.1
139.07498	1.5
140.04178	0.3
141.05443	1.2
145.04933	0.9
147.04402	0.8
149.05975	21.5
150.06320	0.4
151.03899	17.1
152.04297	0.3
152.32231	0.2
153.05470	2.5
153.40326	0.2
157.04967	0.5
157.06422	0.2
159.04410	4.4
160.47607	0.2
161.06003	0.3
163.03918	0.2
163.07524	0.7
165.05467	73.4
166.05812	1.0
167.03406	0.5
167.07033	16.0
169.04932	0.2
173.04453	0.5
173.05907	0.2
175.03918	0.6
176.07014	0.2
177.05463	53.4
178.05803	0.7
179.07063	0.3
181.05005	0.3
181.08580	1.7
183.06535	0.8
189.05486	0.4
189.07587	0.5
191.05472	0.1
191.07007	4.1
193.04944	0.6
195.06514	13.4
197.07976	0.3
203.07088	0.2
209.08080	100.0
210.08376	1.2
213.07614	0.3
227.09123	28.2
228.09340	0.4
262.92303	0.2
269.06534	0.5
269.10117	0.6
287.07614	0.3
295.08054	0.6
301.09158	0.8
303.08508	0.6
304.06207	0.2
313.09134	0.4
317.09991	0.3
321.09616	1.5
335.11234	0.5
339.06601	0.4
339.10727	6.8
353.12241	1.5
357.11780	0.9
371.13379	5.2
385.12744	0.3
388.16077	0.3
389.14258	1.4
495.14810	0.5
515.15442	0.4
521.16449	0.8
533.16492	1.1
547.17755	0.7
551.97144	0.2
565.19171	1.1
579.20770	2.0
597.21338	0.3
770.14111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	5.8
53.03950	51.9
53.95509	1.7
55.01893	2.8
59.07370	2.2
59.67783	1.9
65.03942	2.5
65.79419	1.7
75.05593	2.1
76.93378	2.7
77.03909	9.0
79.05506	4.1
81.03419	6.3
90.69337	1.7
91.05483	57.3
92.05789	4.8
93.07067	2.7
95.04971	100.0
98.20729	3.3
100.08817	1.8
103.05463	8.3
104.06246	5.4
105.04514	20.0
108.52289	2.0
115.05482	6.5
116.05806	8.1
117.06180	1.5
117.07019	44.2
118.06557	86.5
118.07346	8.3
118.08636	3.1
118.81730	2.0
119.06103	3.4
119.06898	2.7
119.08588	46.3
119.09395	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02375	7.8
53.03946	52.3
55.01857	1.9
59.06101	2.2
63.19950	1.3
69.22340	1.7
69.97165	5.0
69.97585	4.0
77.03915	9.5
81.03411	4.9
91.05485	15.8
92.61522	1.6
94.30038	1.5
95.04964	100.0
96.05283	2.1
99.93159	1.8
105.04517	20.9
118.06538	81.1
119.04961	2.2
119.06888	4.2
119.08549	4.6
120.36646	1.5
135.80371	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	5.9
53.03947	50.7
59.06128	2.4
65.03941	4.4
69.78389	10.9
77.03927	10.3
81.03411	4.9
81.40617	1.9
91.05484	34.8
95.04966	100.0
96.05305	2.3
98.21452	2.9
105.04518	25.6
109.06504	3.0
117.07026	3.2
118.06543	82.1
119.04939	13.5
119.06866	2.8
119.08593	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02367	5.9
53.03950	48.2
55.01880	2.3
59.26549	1.4
69.50664	10.9
69.51049	2.0
77.03926	10.0
81.03417	4.1
82.31954	1.7
91.05490	5.4
95.04971	100.0
105.04522	20.3
106.10414	1.3
118.06546	81.5
119.06853	3.4
119.08598	2.4
125.02702	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01591	2.5
50.13749	0.7
51.02378	6.5
53.03948	47.4
53.78012	1.0
55.01872	2.4
59.06118	1.6
65.03937	3.0
71.22993	1.9
76.93351	4.1
77.03931	9.6
78.04698	1.6
79.05508	5.3
81.03420	5.2
82.38587	0.8
86.72462	1.0
91.05482	77.2
92.05817	4.3
92.66769	0.9
93.07039	5.4
94.94382	1.4
95.04966	100.0
96.05326	1.3
103.05466	11.4
104.06261	7.5
105.04514	21.2
112.24870	0.8
115.05466	9.0
116.05778	11.1
117.07018	54.9
118.06550	75.4
118.07336	5.7
119.04983	1.0
119.06110	1.8
119.06869	2.9
119.08587	63.3
121.06532	1.0
124.23138	0.9
135.71925	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	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14123	4.0
56.05040	4.2
56.96542	5.0
59.06126	35.1
60.04516	23.1
61.28491	4.3
65.03937	4.7
67.05483	17.4
70.21068	18.5
80.02932	7.1
80.06285	7.8
83.06129	4.0
87.05599	6.7
89.82656	4.3
91.05009	4.7
91.05493	52.0
92.05010	4.3
93.07034	8.6
95.04965	5.2
100.02439	5.2
101.00883	11.4
101.07145	5.1
103.02425	15.7
107.05238	4.7
107.55265	6.2
110.83028	4.6
116.05769	15.4
118.03523	4.2
119.01922	100.0
119.08564	5.8
120.05653	4.2
121.03487	19.7
129.04025	5.7
137.02969	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74793	0.4
53.03948	2.7
54.04272	0.6
56.05061	0.6
59.06120	1.2
65.03952	3.3
67.05489	0.7
67.96039	0.6
70.84681	1.3
78.04707	1.5
78.93152	0.5
79.05496	7.1
91.05480	100.0
92.05003	0.8
92.05800	2.1
92.20618	0.5
93.07045	5.7
95.04970	4.3
96.05302	1.2
103.05466	12.5
104.06258	9.0
105.04513	1.3
109.06510	1.4
110.81432	0.6
115.05452	5.4
117.07017	31.5
118.07354	0.8
119.04906	1.5
119.06071	1.6
119.06866	1.6
119.08581	74.7
120.05589	1.6
120.08128	1.2
120.08930	2.0
121.06519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03938	2.2
54.04289	0.7
65.03938	3.9
71.49605	0.6
71.50027	0.5
78.04711	2.0
78.93092	0.6
79.05486	6.7
80.72999	0.6
89.06982	0.5
91.05479	100.0
92.05003	1.5
92.05824	2.6
93.07047	4.5
95.04958	3.3
96.05292	1.5
103.05465	10.5
104.06248	12.8
105.04496	0.7
106.04834	0.7
109.06531	2.1
115.05450	5.3
117.07021	19.1
118.07320	0.6
119.04961	2.6
119.06068	3.6
119.06862	2.9
119.08578	67.0
120.04489	1.5
120.05605	3.5
120.08123	1.1
120.08936	2.5
121.06458	0.7
139.61896	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
53.03938	3.4
53.45352	0.9
53.70008	1.0
54.04274	1.0
59.06128	3.5
65.03934	4.5
66.27914	0.9
69.60002	5.1
78.04709	1.3
79.05492	9.0
91.05485	96.8
92.05816	1.4
93.07056	6.1
95.04971	5.8
96.05304	1.9
103.05467	11.9
104.06257	10.4
109.06514	1.1
115.05475	5.3
117.07014	21.7
119.05010	1.4
119.08585	100.0
120.05684	1.4
120.08087	2.5
120.08936	3.4
128.19016	1.0
137.90942	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
56.33000	0.5
58.49465	0.5
59.06120	1.1
65.03941	4.1
67.05486	0.5
69.25867	4.9
69.26260	0.8
72.19543	0.5
77.03915	0.8
77.28095	0.5
78.04714	1.4
79.05493	8.0
91.05483	100.0
92.05814	2.4
93.07037	5.8
95.04961	4.7
96.05304	1.2
98.20801	0.8
102.04622	0.5
103.05469	11.7
104.05561	0.6
104.06252	11.7
105.04532	1.2
109.06522	1.7
110.24949	0.5
115.05456	5.7
117.07024	23.1
118.07392	0.6
118.52089	0.5
119.04935	1.6
119.06099	1.3
119.08584	95.0
120.08095	0.9
120.08905	3.6
121.06592	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	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
54.03490	0.6
54.04281	1.0
59.06123	2.5
59.39140	0.8
60.36078	0.6
63.79999	0.6
64.97410	0.5
65.03940	5.1
70.62516	1.3
70.62881	1.4
77.03522	1.4
78.04696	1.4
79.05488	6.4
86.57153	0.6
89.61050	0.6
91.05480	100.0
92.04989	1.7
92.05825	2.7
92.10268	0.5
93.07042	4.9
95.04969	4.1
96.05296	2.2
100.46181	0.6
103.05468	10.6
104.05640	1.0
104.06259	10.6
105.04571	0.6
109.06523	1.1
115.05466	5.4
117.07019	22.5
118.07384	1.1
119.04967	2.8
119.06193	4.4
119.06863	2.3
119.08580	70.2
120.04449	1.4
120.05615	5.0
120.08083	2.2
120.08900	3.0
121.06577	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02386	0.7
53.03940	3.0
54.04279	1.3
55.82941	0.4
59.06121	2.2
65.03940	4.7
67.05485	0.5
69.37563	2.8
69.37969	1.0
71.39073	0.4
77.03527	1.0
77.03925	0.5
78.04720	1.5
79.05492	6.7
81.76645	0.5
91.05480	100.0
92.05004	1.5
92.05808	2.6
93.07043	5.0
94.83934	0.5
95.04964	5.9
96.05313	2.7
103.05470	12.4
104.06256	10.8
105.04524	1.2
105.07033	0.5
106.04852	0.7
109.06527	1.5
115.05455	5.2
117.07018	24.0
118.07317	2.4
119.04955	1.8
119.06071	2.2
119.06871	4.9
119.08577	75.5
120.04480	1.1
120.05597	2.8
120.08092	2.1
120.08916	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19544	0.4
51.02376	0.4
52.74133	0.4
53.03947	2.4
59.06141	0.5
63.02400	0.4
65.03947	3.9
67.30616	0.4
70.41064	0.7
70.41421	1.1
77.03909	0.5
78.04710	1.3
79.05502	7.2
91.05483	100.0
92.05828	1.6
93.07047	6.7
95.04977	3.9
96.05298	1.0
100.35162	0.4
102.04691	0.5
103.05470	14.7
104.06254	11.9
105.04546	1.3
109.06493	2.0
115.05470	6.6
117.07023	39.2
118.07360	1.1
119.06094	1.3
119.08583	86.5
120.04439	0.6
120.05621	0.8
120.08923	2.5
121.06520	1.6
126.75997	0.4
131.06071	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
54.04280	0.5
65.03944	3.8
67.05482	0.4
69.48534	1.8
69.48942	0.9
77.03523	0.4
77.03933	0.6
78.04704	1.2
79.05496	6.5
91.05480	100.0
92.05814	2.2
93.06486	0.7
93.07040	6.9
93.07587	0.6
95.04971	3.8
96.05311	0.8
102.04699	0.7
103.05464	14.5
104.06258	10.9
105.04507	0.9
109.06520	2.2
115.05447	7.2
117.07020	41.8
118.07351	1.8
119.08579	81.3
120.05592	1.0
120.08904	3.5
121.06519	1.0
129.10799	0.4
131.06073	0.9
133.60040	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02368	0.5
51.27227	0.4
52.99605	0.4
53.03944	2.3
56.90126	0.5
57.81902	0.5
65.03942	3.7
67.05499	0.4
69.88233	2.4
78.04713	1.1
79.05502	5.8
86.52129	0.4
91.05485	100.0
92.05813	2.6
93.07046	6.6
95.04978	4.9
96.05322	1.0
98.20796	0.5
102.04679	0.6
103.05469	15.3
103.11357	0.4
104.06264	11.6
105.04485	1.0
109.06512	1.9
112.73716	0.4
115.05453	6.7
117.07024	42.1
118.07345	1.6
119.04958	0.8
119.06040	1.4
119.08584	70.6
120.04559	0.5
120.05582	1.3
120.08099	1.9
120.08922	3.3
121.06509	1.4
131.06050	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	1196.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04979	2.0
84.04478	0.1
85.02912	2.4
86.06043	0.2
87.04482	0.3
91.05469	0.8
93.07047	0.3
95.01335	0.2
95.04394	0.3
95.04973	4.7
97.02311	0.2
97.02898	2.4
97.06530	0.3
98.06041	0.2
99.04461	0.2
101.12431	0.1
103.05445	0.5
105.03381	0.3
105.04535	0.2
105.07019	0.4
107.04961	1.9
109.02885	1.6
109.06467	0.2
111.03732	0.2
111.04447	3.4
115.05416	0.3
117.06982	0.2
118.06521	0.2
119.04935	0.2
120.08124	1.1
121.06507	1.0
121.08839	0.2
122.09620	0.2
123.04464	1.0
123.08026	0.2
125.02340	1.5
125.06016	0.2
127.03915	0.9
127.85921	0.2
130.06528	0.2
131.04915	0.5
132.08014	0.2
134.09674	1.3
135.04422	1.1
136.07602	0.6
137.05894	0.2
139.03908	41.1
140.04251	0.3
141.05450	0.3
144.08099	0.3
145.02858	0.2
145.05014	0.2
146.03638	0.1
146.06010	0.2
146.09650	0.4
147.04388	0.3
148.07570	1.1
148.11211	0.3
149.05975	1.1
149.08371	1.3
149.12001	0.6
150.09169	0.5
151.03914	2.7
151.07599	0.2
153.05508	0.2
156.08052	0.3
157.08913	0.2
158.09602	0.4
159.04427	0.4
160.07602	0.8
160.11208	0.4
161.05991	0.3
161.08388	0.4
162.09174	1.8
163.03973	0.2
163.09953	0.6
164.10727	0.7
165.05486	4.8
165.06888	0.4
167.07138	0.4
170.09628	0.7
171.10335	0.2
172.11223	0.6
173.08348	0.2
174.09148	0.6
175.03905	0.4
175.09970	0.5
176.07079	0.9
176.10704	3.8
177.05486	0.9
177.11487	1.9
178.08643	0.3
178.12267	0.3
179.07130	0.3
180.07985	0.2
182.09674	0.4
183.10535	0.2
184.11240	0.6
185.08398	0.2
186.09178	1.2
186.12787	0.2
187.07637	0.2
187.09930	0.3
188.07108	0.3
188.10693	1.1
189.11378	0.1
190.08653	0.5
190.12305	0.3
194.09683	0.3
195.06514	0.2
196.07544	0.2
196.11296	0.3
197.12045	0.2
198.09120	1.3
198.12881	0.2
199.09937	0.3
200.10718	1.5
201.11540	0.2
202.08665	0.7
202.12306	0.5
204.13902	0.6
206.11734	0.3
208.11250	0.5
209.06194	0.2
210.09157	0.5
210.12866	0.3
211.09886	0.3
212.07053	0.2
212.10696	1.7
213.11505	0.4
214.08717	0.6
214.12344	0.6
215.09436	0.2
216.10287	0.4
218.08092	0.4
219.08926	0.4
220.09595	0.3
220.11432	0.3
221.12000	0.2
222.12823	0.3
223.09998	0.2
224.07285	0.3
224.10727	1.0
226.08685	0.7
226.12248	0.8
227.09349	0.2
228.10234	1.3
228.13919	0.2
229.10933	0.4
230.11823	0.6
232.13412	0.3
234.09253	0.3
234.12814	0.2
236.10791	0.5
237.11537	0.3
238.08698	0.6
238.12230	0.7
239.09456	0.4
240.10182	1.1
240.13994	0.3
242.08211	0.4
242.11874	0.5
243.08974	0.2
244.09782	0.4
248.10756	0.4
250.08658	0.2
250.12370	0.5
251.09486	0.3
252.10172	0.9
254.08113	0.2
254.11749	0.7
256.09680	1.6
256.13354	0.5
257.10342	0.3
258.11307	0.3
261.11621	0.3
262.08603	0.3
262.12283	0.4
264.10315	0.6
264.13898	0.3
266.11746	1.0
268.09808	0.7
268.13388	0.3
270.11316	0.6
270.14468	0.1
272.12976	0.3
272.71683	0.2
273.09949	0.2
273.13690	0.2
276.10382	0.3
276.13690	0.3
278.08774	0.3
278.11890	0.6
279.12567	0.3
280.09760	0.5
280.13409	0.3
282.08508	0.2
282.11359	0.8
282.14441	0.2
284.12814	0.8
286.10831	0.5
286.14465	0.2
288.10049	0.3
290.11792	0.6
292.09750	0.3
292.13348	0.4
294.08026	0.2
294.11374	0.7
295.08417	0.2
295.11847	0.2
296.12991	0.4
300.12509	0.5
302.11423	0.2
302.14325	0.5
304.15689	0.2
305.13251	0.1
306.11273	0.5
308.09509	0.2
308.12900	0.5
308.16101	0.2
310.14438	0.3
312.12433	0.4
314.14252	0.3
316.15594	0.3
318.13766	1.7
320.09366	0.3
320.12973	0.6
322.11002	0.3
322.14340	0.3
326.14163	0.2
328.15790	0.2
330.13620	0.7
331.14194	0.5
332.15131	1.6
333.15906	0.8
334.10910	0.4
334.16806	0.2
336.12503	0.5
338.14023	0.7
340.15729	0.3
344.15125	0.4
345.09900	0.2
346.10709	0.4
348.12405	0.3
350.13837	0.2
354.17395	0.2
356.15067	0.2
358.16812	0.2
363.11139	0.3
364.11752	0.5
364.15747	0.3
367.13861	0.2
368.14969	0.4
370.16620	0.2
372.12262	0.2
374.09961	0.2
374.14429	0.2
375.11133	0.2
378.13416	0.4
378.17816	0.2
382.13025	0.3
384.14459	0.2
386.16119	0.2
390.13486	0.4
394.16846	0.3
396.14801	0.4
404.15018	0.4
408.14584	0.5
412.18127	0.2
413.14935	0.3
414.15594	0.6
416.15149	0.3
422.16141	0.4
426.15527	0.4
428.17084	0.2
434.15945	0.2
440.17117	0.9
442.13242	0.2
444.16019	0.3
448.17648	0.4
456.16406	1.1
458.18121	1.7
464.17661	0.2
466.19052	0.2
467.18182	0.3
468.17847	0.2
469.19745	0.2
470.12640	0.5
474.15826	0.3
480.18805	1.4
486.18192	0.5
488.13730	0.6
492.18069	0.7
494.21091	0.8
495.21094	0.9
496.19653	0.2
498.21066	0.2
502.15460	0.5
506.14133	0.3
506.20834	0.3
510.21808	0.4
520.16394	0.6
526.19904	0.3
528.22760	0.3
538.17072	3.8
540.16956	0.5
570.20044	0.3
572.19550	0.5
574.21710	0.2
575.20184	0.5
576.20605	0.8
588.20831	0.4
590.20453	0.8
602.21985	0.7
604.21423	0.4
606.21667	0.4
608.21741	0.8
620.23438	1.2
622.22778	0.4
630.24036	0.2
633.55408	0.2
640.23370	0.3
642.24524	0.2
654.22498	0.4
660.25616	0.2
672.26428	0.4
674.26178	0.4
682.21741	0.5
690.27924	0.4
692.26276	0.3
700.10413	0.3
700.22412	4.1
701.23053	0.2
708.26166	0.2
732.24915	0.2
734.26196	0.2
752.25867	0.7
766.27771	0.4
770.26495	1.0
782.28680	0.2
784.28320	0.5
802.29205	0.4
822.27527	0.2
836.31940	0.4
852.32855	0.5
854.33563	0.2
932.31787	3.1
933.32959	0.2
946.33740	0.5
964.34430	4.6
984.34973	0.4
998.36536	1.2
1002.35956	0.5
1016.38397	1.0
1034.38916	2.9
1164.41626	0.2
1178.43286	1.2
1196.44019	100.0
1197.44287	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02370	2.9
53.03945	19.6
54.03464	2.0
54.04277	0.5
55.01871	3.7
56.05025	0.6
56.96564	17.9
57.03435	3.9
57.07068	0.6
59.92513	0.5
60.04498	0.7
61.02928	0.6
64.15559	0.5
65.03938	4.8
67.02971	0.6
67.05493	2.3
68.05017	1.2
68.99786	1.7
69.03426	1.3
69.71399	0.6
70.06609	0.6
71.14256	1.1
73.02909	2.6
77.00793	1.0
77.03918	3.1
79.05484	2.7
80.05016	1.6
80.93168	1.1
81.03443	2.6
81.04534	8.7
81.05775	1.1
82.05328	4.9
83.00782	1.0
84.01575	0.5
84.96030	1.9
85.02888	1.6
90.01577	1.4
91.05474	73.9
92.01296	1.2
92.05811	1.9
93.03365	0.8
93.07037	68.3
94.04065	1.2
94.06534	2.5
94.07375	1.8
94.44687	0.6
95.04962	51.7
95.06073	4.7
96.05262	1.0
97.00510	1.2
98.01302	1.2
98.97588	5.4
102.04676	2.4
103.05460	100.0
104.05799	3.3
105.03439	0.5
105.04504	11.5
105.07018	2.0
106.01068	0.6
106.05267	0.6
106.96733	0.6
110.01239	0.6
110.97565	1.4
111.04448	0.8
116.98599	5.2
119.01807	4.1
120.97962	0.7
121.02910	2.9
121.05086	5.8
121.06495	97.6
122.06046	1.2
122.07145	15.1
122.09684	0.9
127.01545	0.9
128.02316	1.4
128.98607	1.6
134.99646	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02376	2.9
53.03947	25.7
54.03477	5.1
55.01877	6.2
55.05495	2.8
65.03939	12.8
67.05482	5.0
68.05032	2.3
69.58590	5.7
70.06557	1.4
77.03925	4.2
78.03474	1.0
79.05494	28.5
80.04997	1.3
81.03419	2.3
81.04536	15.5
81.05801	1.9
81.07051	1.2
82.05321	13.0
91.05481	96.3
92.05815	2.3
93.03411	3.4
93.07044	64.2
93.81355	1.1
94.04163	1.1
94.06573	3.4
94.07413	1.2
95.04968	57.5
95.06030	8.7
96.05254	1.2
98.21511	1.8
102.04699	1.5
103.05469	64.3
104.05789	2.3
104.91412	1.0
105.03404	6.6
105.04522	13.7
105.07034	52.0
106.06562	5.2
106.07826	1.0
107.04937	0.9
107.07333	49.4
119.08583	3.7
120.05642	1.0
120.08091	2.0
121.02867	10.0
121.06509	100.0
121.07553	3.2
121.10134	14.8
122.06092	2.7
122.07156	60.2
122.09665	69.2
123.08025	5.4
133.07603	2.8
139.02011	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02378	4.7
53.03949	27.4
54.03476	6.9
55.01870	7.9
55.05503	1.2
65.03940	10.8
67.02986	1.7
67.05509	2.7
70.02818	5.3
77.03929	4.1
78.04710	1.6
79.05492	18.4
81.03425	3.8
81.04546	9.0
81.05799	1.4
82.05319	9.1
91.05485	77.1
92.05825	2.3
93.03410	2.2
93.07047	61.8
94.06581	3.0
94.07373	1.8
95.04972	52.3
95.06080	5.4
98.20839	1.3
102.04720	1.4
103.05470	100.0
104.05809	3.5
105.04516	14.3
105.07038	23.0
106.06538	1.8
107.04892	1.3
107.07344	15.4
112.57601	1.1
119.08622	2.2
121.02856	4.6
121.06509	74.7
121.10145	8.2
122.07166	35.1
122.09667	19.1
123.08031	2.5
131.79312	1.0
132.12646	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02389	1.9
53.03949	15.9
54.03470	2.6
54.04252	0.7
55.01871	2.2
65.03938	7.0
67.05519	1.4
69.56761	1.4
69.57161	3.6
77.03918	2.0
78.04692	1.0
79.05496	15.3
80.04980	0.6
81.03413	1.7
81.04539	4.0
82.05325	3.2
91.05483	47.9
92.05819	1.8
93.03397	1.7
93.07045	27.2
94.06573	1.4
95.04969	29.4
95.06100	2.4
96.54625	0.5
102.04703	1.5
103.05469	100.0
104.05100	0.8
104.05801	3.7
105.03421	4.0
105.04514	6.4
105.05769	2.7
105.07035	15.2
105.56626	0.6
106.06553	1.0
107.07327	12.4
111.04461	1.0
119.08579	1.3
120.08139	0.8
121.02867	7.8
121.03986	1.1
121.06506	43.2
121.10138	6.2
122.06029	2.7
122.07159	18.5
122.09666	15.9
123.08073	1.9
133.07545	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	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	4.1
53.03949	27.4
55.01885	6.3
65.03935	6.5
73.53547	1.2
73.80161	1.0
77.03936	5.2
78.04708	1.8
79.05494	10.4
81.03404	4.0
81.04556	2.6
82.05325	1.7
91.05482	98.5
92.05799	2.5
93.03412	1.7
93.07043	52.2
95.04970	55.3
103.05469	59.0
104.05791	1.7
105.03416	6.4
105.04511	10.2
105.07021	17.1
107.04955	5.6
107.07345	6.2
118.38723	1.0
119.08577	2.5
121.02874	4.5
121.06507	100.0
121.10143	8.6
122.07183	9.9
122.09662	7.1
123.08081	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02370	3.6
53.03947	26.5
55.01878	6.9
65.03938	7.6
66.79221	1.1
67.05488	1.9
70.74966	1.5
70.75320	2.9
71.07166	1.1
77.03918	5.0
78.04732	1.6
79.05491	6.7
81.03400	3.9
82.05332	2.0
91.05484	100.0
92.05830	3.0
93.07046	51.3
95.04971	54.7
103.05473	64.3
104.05804	2.6
105.03401	7.0
105.04511	11.2
105.07032	5.2
107.07327	1.7
121.02867	3.8
121.06508	99.0
121.10154	1.6
122.07077	4.3
122.09667	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	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02378	0.5
52.99866	0.4
53.03945	6.7
53.04187	0.8
54.03466	0.8
55.01875	0.6
55.05521	3.0
61.42908	0.4
65.03945	1.5
67.05498	1.2
68.08097	0.5
68.18715	0.4
70.21519	1.6
72.73817	0.4
77.03925	1.0
79.05492	38.3
80.05823	1.0
81.04541	2.1
81.07059	1.5
82.05343	1.1
90.00751	0.5
91.05480	14.3
93.07044	20.8
94.07372	0.6
95.04968	13.7
95.82053	0.5
103.05464	20.6
104.05802	0.6
105.04577	2.8
105.07030	100.0
106.06564	0.9
106.07305	2.7
106.07818	4.7
107.07333	10.3
107.08067	1.1
119.08572	15.3
119.09392	0.9
120.05709	0.6
121.02863	1.2
121.06516	8.4
121.10142	49.5
122.06139	0.8
122.07171	7.2
122.09669	13.1
122.10475	2.6
123.08066	13.0
130.03621	0.4
133.07602	5.5
138.06786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03946	6.9
55.05520	1.5
67.05492	1.4
69.37744	1.6
69.38147	7.4
78.04652	1.1
79.05493	37.0
80.05838	1.5
81.03411	0.9
81.04527	2.5
82.05316	1.8
91.05491	14.3
93.07045	18.2
93.29420	0.9
95.04964	14.0
95.06054	1.0
103.05466	20.0
105.04572	2.4
105.07029	100.0
106.07264	2.2
106.07816	4.6
107.04958	21.0
107.07362	1.9
119.08582	15.1
121.06521	14.4
121.10143	56.5
122.07206	13.1
122.09666	3.4
122.10501	3.0
123.08072	15.1
133.07629	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	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.1
53.03948	8.4
54.03456	2.3
55.01855	1.6
55.05503	1.6
65.03941	1.1
71.44845	1.2
77.03926	1.8
79.05495	40.2
80.05819	1.3
81.04554	5.3
81.07037	1.3
82.05326	3.8
86.73901	0.8
91.05484	21.4
93.07044	26.5
94.07384	1.3
95.04971	17.6
95.06098	1.6
96.22417	0.9
103.04823	1.7
103.05472	22.6
104.05781	1.2
105.04536	4.8
105.07034	100.0
106.07198	1.2
106.07906	6.5
107.04963	1.8
107.07332	7.6
119.08588	13.1
120.05624	0.9
121.02969	1.1
121.06510	13.4
121.10145	53.8
122.07160	20.5
122.09672	8.1
122.10483	2.2
123.08069	16.3
133.07594	6.2
134.01053	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	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03941	5.5
53.47425	0.6
53.49243	0.7
55.01867	0.9
55.05512	1.0
56.76611	0.7
65.03947	2.0
77.03925	2.0
79.05495	36.7
81.04539	1.6
81.07074	1.1
82.05345	0.7
91.05486	15.8
93.07043	17.1
95.04966	13.3
98.20792	1.4
103.04851	0.5
103.05467	17.0
105.04517	2.4
105.07029	100.0
106.07922	5.5
106.54142	0.8
107.04951	34.1
107.07349	2.0
119.08580	13.4
121.06512	13.3
121.10140	54.2
122.07230	14.4
122.09676	2.0
122.10472	1.7
123.08072	15.1
133.07640	5.7
138.06738	0.7
138.39854	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01602	0.9
51.02374	2.4
53.03947	15.8
54.03475	5.7
55.01874	7.7
55.05514	6.9
56.05032	0.6
56.96565	0.8
65.03937	4.4
67.02983	0.6
67.05518	3.7
68.05013	1.9
68.77653	0.5
69.03419	1.6
70.06580	1.1
71.15863	1.2
77.03925	2.2
78.04705	1.5
79.01845	1.4
79.05495	48.0
80.05022	1.3
80.05828	1.2
80.06285	1.1
81.03420	1.9
81.04541	10.7
81.05803	1.3
81.07070	3.8
82.05321	14.6
91.05483	61.3
92.05822	2.6
93.03392	0.8
93.07044	100.0
94.06578	3.3
94.07370	4.6
95.04970	34.1
95.06062	8.5
96.05320	1.4
103.05471	21.4
104.05752	1.3
105.04525	10.6
105.07031	62.9
106.06570	1.3
106.07885	5.0
107.04854	1.0
107.07336	18.0
119.08590	8.4
120.05702	0.8
120.08139	0.8
121.02868	1.8
121.06512	30.2
121.07603	2.6
121.10143	41.0
122.07157	45.1
122.09665	21.4
122.10450	1.9
123.08075	7.1
133.07571	2.9
134.99696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.61105	0.4
51.02384	0.7
53.03948	7.6
54.03478	5.3
55.01868	1.3
55.05514	2.1
56.05042	0.5
56.74474	0.4
65.03936	3.5
66.04698	0.5
67.05498	1.7
68.05035	1.1
69.29081	4.8
70.06602	1.5
77.03922	1.3
78.04711	1.3
79.05495	45.2
80.05037	1.2
80.05832	1.0
81.03451	0.8
81.04542	9.8
81.07057	1.2
82.05325	8.9
86.27352	0.4
91.05483	24.0
92.05798	1.1
93.07044	29.4
94.06573	1.8
94.07348	0.8
95.04464	0.3
95.04970	20.2
95.06053	3.8
103.05470	24.4
104.05113	0.5
104.05780	1.0
105.03403	0.9
105.04559	5.2
105.07034	100.0
106.06565	1.0
106.07284	2.2
106.07937	4.8
107.04957	29.0
107.07336	13.4
107.08073	1.0
111.04444	0.7
119.08585	14.0
119.09396	1.0
120.05614	0.7
121.02882	1.4
121.04011	0.7
121.06517	22.1
121.07606	1.7
121.10145	50.9
122.07175	49.3
122.09669	18.4
122.10474	2.8
123.08067	13.1
133.07613	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83589	0.4
58.99868	1.3
63.39676	0.3
65.54490	0.3
70.11022	1.8
75.01225	0.3
77.00895	1.0
82.00986	0.7
82.01444	6.9
82.99842	0.7
87.04944	0.3
88.89746	0.4
90.07436	0.4
95.04945	0.4
97.25684	0.4
97.67318	0.3
100.02483	56.3
101.00876	9.5
101.02555	2.3
106.82402	0.3
118.03522	50.4
119.01921	100.0
119.03625	3.0
123.04056	0.8
136.04567	1.7
137.02959	54.9
141.05124	0.9
142.03505	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99855	0.6
68.76725	0.3
70.22107	1.4
82.01443	7.0
82.99876	0.9
83.01528	0.4
96.77980	0.3
100.02485	52.0
101.00877	10.9
101.01524	0.7
101.02560	3.2
104.70526	0.3
118.03526	43.3
119.01923	100.0
119.03643	2.9
121.02332	0.6
123.04079	0.9
124.02419	0.4
136.04550	1.4
137.02959	54.8
141.05101	0.6
142.03500	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	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02371	0.8
53.00307	0.4
53.03949	9.9
54.03472	0.5
54.05209	0.3
55.01868	1.1
55.05500	1.0
55.76212	0.3
56.05038	0.6
57.07071	0.3
65.03937	2.5
66.01099	0.3
67.01879	1.4
67.05508	16.6
68.05038	0.4
68.05827	0.5
69.07062	0.3
69.22942	2.9
77.03929	2.6
79.05489	3.3
80.05004	1.2
81.03432	1.3
81.04532	0.4
81.06605	0.4
81.07059	6.9
81.07540	0.4
82.01463	0.4
82.04869	0.4
83.06113	1.0
87.36516	0.2
91.05498	0.4
93.07037	0.6
95.01334	10.3
95.04970	100.0
95.08610	1.7
96.01655	0.5
96.04505	0.5
96.05305	2.4
97.07668	0.5
100.02489	2.1
105.03406	2.6
105.04511	4.6
105.07043	0.7
106.07368	0.5
107.06070	0.9
108.05749	1.0
108.07670	0.9
118.03508	1.7
119.01934	1.2
123.00812	0.9
123.04440	23.0
123.05532	3.3
123.08135	3.0
123.09088	0.5
123.09974	1.6
123.11721	1.1
124.03968	0.6
124.04799	0.7
124.08685	1.7
137.02988	0.8
141.01869	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	123.0555
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02388	0.4
53.03950	1.2
55.01875	0.6
56.96569	0.4
57.03452	1.0
57.57573	0.2
58.99868	0.8
60.73124	0.2
61.02922	0.7
63.17336	0.2
67.05502	0.8
68.02650	0.2
68.05038	0.5
69.03437	1.1
69.69566	1.3
70.99863	0.5
73.02915	0.9
77.00913	1.2
78.03456	9.2
78.06335	0.6
78.52950	0.3
79.05468	0.4
80.05019	39.0
81.01893	0.2
81.03426	0.8
81.05349	0.5
81.07047	0.3
82.01450	1.8
82.02700	0.4
85.02905	0.8
86.52699	0.5
87.72018	0.2
88.01794	0.3
88.02693	1.1
89.00892	0.3
90.02435	0.6
93.01892	0.2
93.53465	0.2
95.01943	0.4
95.04984	2.0
95.06081	0.3
95.08621	0.3
96.04497	15.4
96.08186	0.2
97.02911	0.7
98.52703	0.5
98.97557	0.3
99.49247	0.2
99.53453	0.3
100.02484	17.9
101.00874	3.5
101.02588	1.2
102.02332	0.7
103.02353	0.3
103.60780	0.2
104.52691	0.2
105.04492	0.7
106.02917	21.3
107.03257	0.4
109.02905	0.3
111.02914	0.6
115.02444	0.4
118.01148	0.9
118.03523	15.1
119.01925	22.5
119.03654	0.9
120.01978	0.3
120.03348	0.4
121.01645	0.5
123.05556	100.0
124.03957	14.2
124.05886	1.9
131.01906	1.9
132.02028	0.3
133.03471	0.6
136.02170	0.2
136.04558	0.7
137.02962	11.2
141.02779	0.2
141.05034	0.3
142.03511	2.0
143.03604	0.2
144.03239	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	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
53.03943	1.5
54.03471	0.3
63.71702	0.2
67.05486	0.2
68.05038	0.7
71.24414	0.6
78.03455	2.4
80.05019	53.6
81.05348	0.9
95.04960	0.3
95.06112	0.3
96.04494	16.0
97.04860	0.2
100.02496	0.4
105.04552	0.3
106.02911	2.9
118.03512	0.5
119.01918	0.8
123.05555	100.0
124.03963	3.4
124.05905	2.1
133.76964	0.2
137.02962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
51.02370	0.7
53.03944	4.6
54.03472	1.1
55.01874	2.0
55.05514	24.2
56.05030	2.2
56.05840	0.7
57.07080	2.8
58.86314	0.6
61.79334	0.7
65.03934	4.9
66.04736	0.5
67.05505	93.6
68.05022	1.6
68.05840	2.2
69.03430	2.2
69.07056	1.9
70.06580	1.0
70.48423	2.1
79.05492	14.6
80.05024	3.5
80.06280	2.2
81.03419	2.0
81.04543	2.9
81.07058	48.0
82.06590	0.8
82.07381	0.7
83.06097	3.6
91.05486	4.4
93.07047	18.3
93.07645	1.0
94.07341	0.9
95.04969	20.5
95.08608	100.0
95.43961	0.6
96.04507	2.0
96.08157	0.6
96.08948	3.8
97.07668	2.9
100.02491	4.4
103.05491	1.2
105.03372	0.6
105.04521	1.1
105.07032	9.6
106.07384	1.0
107.04975	4.5
107.06042	2.9
108.05743	20.2
108.07670	1.9
118.03511	3.4
119.01917	2.3
119.46442	0.7
121.06512	4.1
121.10113	0.8
123.04451	3.5
123.05561	7.9
123.08081	58.6
123.09897	2.9
123.11701	14.7
124.03927	2.9
124.07630	1.0
124.08652	5.4
124.12070	0.9
137.02951	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	123.0806
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
51.02369	0.8
53.03945	3.9
55.01881	0.8
55.05515	4.4
65.03938	1.1
67.05505	23.7
68.05012	0.9
68.05830	1.2
69.29905	6.1
77.03925	0.6
79.05493	12.5
80.05009	2.5
80.05846	0.8
80.06270	2.2
81.03425	0.8
81.04554	0.9
81.07059	5.1
83.06094	1.9
90.04689	0.8
91.05478	2.0
93.07051	5.1
95.04967	12.6
95.08607	46.9
96.04525	0.8
96.08935	1.4
97.07654	1.0
100.02490	1.6
103.05459	2.6
105.04512	1.0
105.07037	18.5
107.04961	11.8
108.05740	69.3
109.06074	2.5
118.03526	1.2
119.01904	1.6
121.06505	10.3
123.04449	1.8
123.05544	3.4
123.08070	100.0
124.03969	1.4
124.08535	4.8
125.05995	1.2
135.05510	0.9
144.88109	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02358	1.8
53.03947	13.3
54.03467	5.0
54.85499	0.7
55.01855	1.8
55.05509	5.2
56.05035	7.2
57.07051	1.5
65.03944	5.5
67.04208	1.0
67.05506	41.5
68.05028	5.5
68.05825	1.0
69.03416	1.3
69.04523	2.2
69.07047	1.7
70.06576	2.5
70.63849	2.5
75.61270	0.7
77.03909	2.5
79.05492	18.7
80.04594	1.1
80.05021	15.7
80.05812	2.0
80.06267	1.6
81.03403	2.8
81.04548	9.8
81.07056	42.3
82.01445	1.8
82.04155	0.7
82.04866	0.9
82.05323	1.4
82.06577	1.3
83.05662	1.6
83.06104	10.2
91.05452	2.8
93.07049	5.5
95.01339	2.9
95.04969	100.0
95.06017	2.3
95.08605	33.2
96.04502	8.8
96.05303	3.1
96.08136	1.6
96.08933	1.1
97.07670	7.2
100.02484	24.1
101.00850	1.1
101.02592	1.9
103.05465	1.3
105.03413	4.9
105.04521	6.4
105.07029	9.6
106.06733	1.1
106.07349	5.0
107.04977	6.4
107.06076	9.7
107.07345	0.8
108.05743	34.6
108.06977	1.3
108.07668	9.2
112.04008	0.9
118.03521	28.8
119.01917	20.1
119.02734	1.4
119.03651	2.5
121.06511	5.3
123.00793	0.8
123.04461	30.1
123.05581	24.7
123.08101	59.3
123.09167	2.2
123.09966	11.2
123.11687	6.8
124.03953	11.1
124.04827	1.8
124.07635	3.3
124.08725	16.9
137.02968	14.8
137.03946	1.2
141.05080	1.4
142.03554	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.00317	0.4
53.03943	2.4
54.03470	1.2
55.01872	0.6
55.05510	7.3
55.97713	0.3
56.05031	2.1
56.96569	0.4
57.07077	4.8
58.06593	0.3
65.03938	1.9
66.04726	0.5
67.05507	26.7
68.05029	1.8
68.05833	0.4
69.03461	0.4
69.07072	3.0
70.06577	1.3
71.49206	0.4
77.03919	1.0
79.05495	20.8
80.05024	4.7
80.05826	0.7
80.06285	0.4
81.03416	0.9
81.04566	1.9
81.07055	100.0
82.05335	0.5
82.06580	0.8
82.07381	2.6
83.05655	0.5
83.06104	3.8
89.38551	0.3
90.76558	0.3
91.05456	1.6
91.67234	0.3
93.07042	4.3
94.07821	1.3
95.01303	0.3
95.04969	22.1
95.06080	1.0
95.08607	27.0
96.04501	2.7
96.05289	1.2
96.08929	1.0
97.07666	1.8
100.02484	7.7
101.00877	0.8
101.02593	0.6
105.03372	1.1
105.04517	1.3
105.07044	2.1
106.07363	1.5
107.04945	1.0
107.06100	2.6
108.05743	7.9
108.07007	0.4
108.07674	2.3
108.09378	0.7
108.90989	0.3
118.03513	7.0
119.01924	3.9
119.03590	0.4
121.06540	1.6
121.10139	1.7
123.04427	5.9
123.05543	7.2
123.08103	15.2
123.09128	0.9
123.09975	2.8
123.11703	23.6
124.03961	2.8
124.04801	0.5
124.07591	1.2
124.08676	4.6
124.12069	0.6
137.02962	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.4
53.00311	0.3
53.03945	3.6
54.03474	0.7
55.01855	0.5
55.05513	6.1
56.05043	2.0
57.07078	4.7
60.67530	0.4
65.03956	2.0
66.04736	0.4
67.05507	21.3
68.05038	1.4
68.05848	0.5
69.04573	0.4
69.07073	3.0
70.06602	0.7
70.17671	0.9
70.18070	0.7
70.47199	0.3
77.03917	0.6
79.05496	19.4
80.05019	4.3
80.05836	1.0
80.06296	0.4
81.04543	2.3
81.07056	100.0
82.01450	0.5
82.07386	3.0
83.05659	0.6
83.06111	3.1
83.08596	0.3
84.62510	0.3
90.58379	0.3
91.05482	0.8
93.07059	3.3
94.07838	1.1
95.01349	0.6
95.04971	15.0
95.08608	21.4
96.04514	2.0
96.05214	0.3
96.08922	0.8
96.27526	0.3
97.07645	2.0
99.64248	0.4
100.02488	5.7
101.00896	0.4
101.02590	0.5
105.03355	0.8
105.04536	0.9
105.07024	2.5
106.06564	0.4
106.07325	0.7
107.04965	0.9
107.06068	2.5
108.05742	5.6
108.07677	1.6
108.09383	0.8
109.42829	0.4
110.35922	0.3
111.02685	0.4
118.03516	4.6
119.01915	3.6
121.06513	0.7
121.10120	1.6
123.04430	3.1
123.05549	5.8
123.06482	0.5
123.08105	11.4
123.09086	0.8
123.09969	2.1
123.11706	22.5
124.03954	2.1
124.04871	0.5
124.07611	0.8
124.08695	4.6
124.12041	1.2
129.52728	0.4
137.02979	2.1
141.05150	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.5
53.03949	3.5
54.03476	0.9
55.01888	0.6
55.05516	4.5
56.05040	2.3
57.03445	0.4
57.07080	5.4
58.06605	0.5
65.03938	1.4
67.05507	17.7
68.05028	0.8
68.05816	0.7
69.04565	0.5
69.07056	2.7
70.06588	1.1
71.48825	0.7
79.05496	16.6
80.05024	9.1
80.05818	0.6
81.03407	0.8
81.04542	1.8
81.07058	100.0
82.01463	2.5
82.04870	0.9
82.05348	0.9
82.07394	2.4
83.05653	0.5
83.06084	2.3
91.05473	0.6
93.07026	2.4
94.07826	1.2
94.56834	0.5
95.04972	14.3
95.06058	0.8
95.08606	16.2
96.04490	4.0
96.08902	0.5
97.07635	2.9
100.02484	19.3
101.02581	1.5
103.32224	0.4
105.04545	1.0
105.07037	1.4
106.07372	1.4
107.06087	1.7
108.05732	1.2
108.07701	1.7
108.09380	1.3
118.03520	18.7
119.01929	4.8
119.03618	1.4
121.10133	1.5
123.04446	5.1
123.05559	14.7
123.06624	1.1
123.07345	0.9
123.08164	7.4
123.09072	0.9
123.10065	2.7
123.11708	23.6
124.03956	4.9
124.05927	0.8
124.07839	0.6
124.08731	4.8
124.12021	0.7
124.14623	0.6
137.02980	3.3
141.05084	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.5
53.04170	0.7
54.03474	0.9
55.01870	0.9
55.05514	5.6
56.05030	1.1
56.96583	1.1
57.07082	5.5
65.03941	1.3
67.05138	0.9
67.05506	16.9
68.05043	0.7
68.05843	0.6
69.07066	2.6
69.52693	1.1
69.53111	2.3
70.06610	0.7
71.29083	0.5
74.94830	0.4
79.05499	22.6
80.05021	6.9
80.05815	1.0
80.06264	0.5
81.03429	0.7
81.04542	1.6
81.07059	100.0
82.01441	1.2
82.07393	1.5
83.06123	1.1
87.23845	0.4
93.07052	2.6
94.07844	1.0
95.04973	14.0
95.06093	0.6
95.08609	16.8
96.04508	3.9
96.05209	0.5
96.08912	0.6
97.07668	1.8
98.20783	0.9
100.02488	14.5
101.02563	0.7
105.03397	1.5
105.04533	1.1
105.07040	1.1
106.02921	0.6
106.07338	0.6
107.06062	1.7
108.05735	1.6
108.07674	1.4
108.09370	0.9
108.27782	0.5
118.03530	13.8
119.01933	4.1
119.03632	1.1
121.10142	1.4
123.04430	4.4
123.05552	14.0
123.06612	1.1
123.07342	1.1
123.08172	6.8
123.09994	1.3
123.11709	21.5
124.03968	5.2
124.04798	0.8
124.07784	0.6
124.08704	3.5
124.12029	1.3
137.02946	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.6
53.00306	0.5
53.03946	3.1
53.14125	0.4
54.03467	0.8
55.05511	4.9
56.05033	1.2
56.12272	0.4
56.96572	0.5
57.07080	3.8
65.03948	1.6
67.05505	16.1
67.05852	1.0
68.05039	0.7
69.04552	0.5
69.07074	3.3
70.12103	0.4
70.12492	0.4
71.26637	1.0
73.49828	0.5
77.03931	0.8
79.05494	24.5
80.05016	5.2
80.05813	0.5
81.03437	0.8
81.04533	1.8
81.07056	100.0
82.01459	1.2
82.07398	2.0
83.06115	1.9
91.05494	0.8
91.29891	0.5
93.07055	2.0
94.07849	1.1
95.04970	12.8
95.08611	15.5
96.04498	3.1
96.05238	0.6
97.07646	1.9
100.02484	15.5
101.00906	0.8
101.02574	0.8
105.03403	1.9
105.04497	0.9
105.07001	1.1
106.07362	1.1
107.06099	1.7
108.05728	1.4
108.07711	1.1
108.09353	0.6
118.03526	14.2
119.01923	4.7
119.03613	1.0
121.10139	1.2
123.04426	4.4
123.05549	9.1
123.06675	0.8
123.08165	6.1
123.09068	0.7
123.10013	1.8
123.11706	24.6
124.03955	3.1
124.04820	0.6
124.07646	0.7
124.08689	3.5
124.12079	1.0
137.02946	3.3
141.05064	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99865	0.3
69.51603	1.4
71.47056	0.2
72.58673	0.2
77.00935	0.2
82.99844	0.6
83.01527	0.3
86.80797	0.2
98.20866	0.3
100.02479	1.0
101.00878	10.5
101.02557	2.5
101.07507	0.2
102.00977	0.4
102.02237	0.7
118.03535	1.2
119.01920	100.0
119.03649	2.9
120.01991	3.3
120.03282	0.8
121.02332	0.3
124.02487	0.3
133.03423	0.2
137.02954	57.4
138.03030	2.1
139.03358	0.4
142.03490	4.9
143.03662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03945	0.5
54.03464	0.2
55.01875	0.2
55.02985	0.2
55.05502	0.2
56.05035	1.3
56.96567	3.3
57.03435	0.2
58.06591	0.5
58.99868	0.8
59.07391	0.2
59.12343	0.2
66.03462	0.2
67.05511	0.3
68.05035	1.0
69.03431	0.2
69.04547	0.5
70.04066	0.3
70.06578	0.4
70.21609	0.6
70.99863	0.4
72.79290	0.2
77.00897	0.7
78.03460	1.2
78.04703	0.2
78.06340	0.4
79.05508	0.2
80.05016	16.6
81.04558	1.0
81.05347	0.7
82.05318	0.2
82.06595	0.4
82.51630	0.2
82.92896	0.3
82.99857	0.8
83.00804	0.3
83.06105	2.5
84.08144	0.2
89.00892	0.4
92.01292	0.4
93.05950	0.2
95.01345	0.3
95.01945	0.5
95.04990	0.2
95.06085	0.2
96.04494	12.6
96.08127	0.4
97.02874	0.8
97.05289	0.3
97.05933	0.2
97.07668	1.0
98.03550	1.0
98.97607	0.3
100.02481	1.2
100.75754	0.2
101.00876	10.5
101.02571	2.4
102.00951	0.4
102.02238	1.3
103.02367	0.2
106.02907	0.2
107.06075	2.3
108.04378	0.7
109.05257	0.3
112.02811	0.2
113.01814	0.3
116.98629	0.2
117.10256	0.3
117.57790	0.2
118.03529	1.2
119.01922	100.0
119.03673	2.5
120.01997	5.0
120.03141	1.1
121.02349	0.3
121.03446	0.3
124.03953	84.9
124.07607	3.1
124.08714	6.6
125.04301	2.2
125.06252	0.2
125.07082	1.2
125.07903	0.2
125.08205	0.1
125.10770	0.4
133.03409	0.5
137.02956	59.1
138.03055	3.2
139.03394	0.2
140.03433	0.7
142.03494	5.3
142.04616	0.3
143.03535	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	125.0235
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.02378	0.9
53.00310	2.2
53.03950	6.2
55.01883	1.8
55.05503	0.9
56.05034	0.9
57.03443	0.6
58.06612	0.4
59.06128	3.0
65.03942	0.8
67.05516	0.8
68.05034	4.2
69.03433	64.4
69.07088	1.4
69.40005	0.4
69.73022	2.6
70.03763	1.0
70.06605	0.9
71.01357	0.5
73.11562	0.4
75.20114	0.3
75.71135	0.4
79.01846	3.3
79.05495	11.7
80.05035	0.7
81.03423	27.9
81.07064	2.0
82.03761	0.8
82.06596	1.1
83.04991	0.7
83.06122	0.9
84.08147	0.4
85.07668	0.7
86.08463	1.1
90.89937	0.4
95.04987	1.8
96.06880	0.5
97.02896	75.4
97.06540	1.8
97.07659	1.2
98.03249	1.8
98.06078	0.3
107.01318	1.7
107.04969	2.9
107.08570	0.7
109.07638	1.7
110.03658	1.0
120.01997	0.5
120.03262	0.7
125.02358	100.0
125.05994	14.1
125.07088	2.9
125.09684	0.9
125.10619	0.4
126.02687	3.4
126.09311	0.6
126.10269	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	125.0235
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.02394	0.6
53.00312	1.5
53.03948	4.3
55.01876	1.5
55.05516	0.7
56.32918	0.3
56.87502	0.4
57.03444	0.7
59.06126	1.4
60.40207	0.4
67.05506	1.3
68.05035	1.2
69.03432	69.2
69.07068	1.5
70.03748	0.7
79.01856	3.6
79.05499	15.8
81.03419	13.6
81.07051	3.0
82.03778	0.6
82.06581	0.5
83.04996	0.8
86.08453	0.7
95.04971	3.2
97.02895	100.0
97.06526	3.0
98.03239	2.5
98.06797	0.4
98.07903	0.4
105.04538	0.5
107.01324	0.6
107.04947	3.6
107.08574	0.6
110.03671	0.9
125.02356	43.3
125.05991	15.8
125.07021	1.2
125.09651	0.7
126.02656	1.1
126.10269	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	125.0235
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.02382	0.9
53.00303	1.2
53.03942	2.7
54.03481	0.6
55.01868	1.9
55.05514	2.3
55.05734	0.4
56.05036	4.7
56.96575	0.7
57.03438	0.7
58.06610	2.2
59.06124	10.8
61.06794	0.4
62.06522	0.4
65.03932	1.1
66.03471	0.6
67.05501	0.9
68.05029	15.8
69.03429	65.2
69.07081	0.8
69.75024	2.4
70.03776	1.0
70.06600	3.4
71.01343	0.7
72.58326	0.4
73.32240	0.4
76.01202	0.4
79.01861	2.4
79.05489	5.2
80.05015	2.9
80.05830	0.5
81.03421	4.9
81.04540	1.4
81.05341	0.6
81.07050	2.3
82.04886	0.5
82.05327	0.5
82.06587	3.6
83.04983	2.0
83.06094	4.1
84.04498	1.4
84.05663	0.5
84.06454	0.6
84.08121	0.7
84.96033	0.8
85.07675	3.3
86.08438	3.7
91.05483	0.8
95.04970	1.1
95.06112	1.3
96.04462	0.4
96.06887	3.0
96.08135	0.6
97.02892	100.0
97.06534	1.5
97.07655	3.8
98.03220	2.0
98.06059	1.4
98.07222	0.7
98.07995	0.8
102.02246	1.5
104.06068	0.7
104.34057	0.4
107.04922	1.3
107.06068	1.1
107.08596	1.4
108.04452	0.6
108.06364	0.5
109.07632	6.0
110.08355	0.4
111.04459	0.5
120.02047	2.1
120.03244	1.6
121.01671	0.9
122.53905	0.4
125.02352	30.2
125.06005	4.8
125.07107	10.5
125.08128	0.8
125.08891	0.6
125.09654	2.5
125.10738	1.5
126.02687	1.0
126.05531	0.7
126.06635	1.0
126.09315	0.6
126.10277	9.1
138.03110	1.2
139.02747	0.5
141.06604	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	125.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.0
55.01873	19.4
55.05247	3.0
55.05515	51.3
56.05041	27.7
56.11959	3.2
57.03420	9.3
58.06588	12.7
58.74884	2.9
59.05843	4.0
59.06126	73.3
60.27821	3.2
61.50173	3.1
62.21688	3.3
63.93199	3.1
65.03922	10.4
67.05500	9.9
68.05029	92.1
68.99782	6.1
69.03096	5.0
69.03432	67.9
69.04529	4.0
69.07055	12.9
70.06585	14.6
71.01338	9.1
71.09042	2.8
71.49311	5.5
71.67197	3.3
79.05495	68.8
80.05008	8.6
80.05804	3.3
81.03417	12.0
81.04517	4.9
81.07058	39.1
82.06557	15.2
83.04502	5.7
83.04977	79.9
83.06105	22.7
83.08607	6.1
84.01183	3.4
84.04508	7.2
84.06433	4.2
84.08151	4.5
84.96018	9.6
85.07668	25.9
86.08427	19.8
91.05482	30.7
95.04961	9.5
95.06078	6.4
95.08593	2.9
96.06865	11.3
96.08052	3.5
97.02894	90.5
97.06549	24.1
97.07658	16.3
97.10156	6.9
98.06054	10.2
102.02250	21.5
105.07013	19.0
107.04954	5.9
107.06107	3.7
107.08590	87.3
108.04480	3.6
108.06386	4.5
108.08088	3.4
109.06533	16.2
109.07642	40.9
110.03667	3.4
119.06093	5.9
120.02024	14.9
120.03253	20.7
121.01676	4.6
125.02357	45.6
125.03335	5.5
125.05994	37.1
125.07097	56.8
125.08166	8.6
125.09664	100.0
125.10599	5.6
126.05542	4.9
126.06564	6.2
126.09246	5.8
126.10278	65.8
138.03044	11.1
139.02621	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	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
51.29083	1.0
53.00307	1.2
53.03931	3.3
54.01742	1.0
55.01863	6.5
55.05511	21.0
56.05034	2.7
57.03429	2.3
57.97725	1.0
58.06599	1.7
59.06124	6.0
62.67950	1.0
65.03938	2.9
67.05502	3.1
68.05020	11.4
69.03431	27.4
69.07073	10.1
69.55846	3.3
69.56274	4.5
71.01336	1.5
79.05495	26.4
80.05791	1.3
81.04524	1.2
81.07054	10.6
82.06606	1.2
83.04980	16.6
83.06092	2.9
83.08598	1.6
84.96058	1.2
85.07652	2.5
86.08461	2.4
86.08941	1.1
87.52403	1.0
91.05480	16.6
95.04979	4.2
95.08612	1.2
96.06862	3.4
97.02889	16.3
97.06535	17.2
97.07659	2.1
97.10161	3.0
98.06057	1.3
102.02269	2.5
102.08002	1.0
105.07027	9.3
106.44384	1.1
107.04929	1.8
107.08595	40.0
108.08953	1.7
109.06522	3.9
109.07619	3.2
110.07302	2.0
118.01328	1.1
118.68567	1.2
119.01979	1.5
120.02168	1.0
120.03242	3.7
125.02374	7.8
125.03260	1.4
125.06059	8.9
125.07093	6.8
125.09632	100.0
126.06641	1.3
126.10119	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	125.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
54.03464	1.3
54.12489	1.0
55.01871	3.8
55.05249	1.3
55.05512	19.0
56.05025	4.0
57.03424	1.4
58.06591	2.2
59.06128	11.5
65.03933	1.8
67.05508	3.0
68.05035	14.9
69.03433	27.7
69.04565	1.3
69.07056	7.0
70.06591	3.1
71.04979	2.0
71.20185	2.5
79.05492	21.1
80.05003	1.2
81.03420	1.6
81.04568	1.8
81.07055	10.3
82.06570	3.2
83.04980	16.4
83.06102	3.4
83.08627	1.9
84.04506	1.5
84.91235	1.1
85.07663	4.8
86.08447	3.7
91.05466	16.9
92.97116	1.2
95.04974	3.3
95.06071	1.1
95.08604	1.5
95.12342	1.1
96.06885	3.1
97.02892	20.3
97.06523	9.9
97.07590	2.1
97.10138	2.6
98.03242	1.3
98.06055	2.4
102.02229	5.1
105.07033	8.2
107.04949	1.7
107.08589	37.5
108.08929	1.2
109.06532	4.4
109.07667	6.0
110.07262	1.3
120.02043	1.7
120.03277	4.3
125.02345	7.5
125.06152	6.3
125.07112	7.8
125.09637	100.0
126.01093	1.1
126.05473	1.7
126.06618	1.0
126.10260	11.7
138.03036	1.7
138.53964	1.0
138.67313	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	127.0392
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
53.00291	2.3
53.03948	27.6
55.01859	4.7
56.96548	2.2
57.03423	3.2
58.38961	1.4
69.03428	15.7
71.00992	4.0
71.05007	3.2
73.28372	1.4
73.89360	1.8
75.21341	1.4
81.03420	76.1
82.03747	2.2
83.01324	2.2
84.08150	10.0
85.02907	2.3
85.05144	1.6
95.01329	7.5
97.02875	2.2
99.04436	2.7
109.02880	100.0
110.03193	2.0
127.03931	16.5
127.07253	3.6
149.40352	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	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.00294	2.4
53.03947	28.9
55.01872	12.5
55.05514	7.0
56.05029	4.6
57.03438	6.7
57.07072	1.6
57.80674	1.2
58.06592	3.5
59.06117	6.3
60.06454	4.0
64.83323	1.1
67.05505	3.2
67.93552	2.2
68.05033	10.6
69.03432	31.5
69.05360	5.5
69.07060	1.4
69.41296	7.4
69.41719	2.2
70.06590	9.8
71.01353	1.9
71.04995	33.8
79.05486	3.7
80.12376	1.3
81.03419	39.6
81.07066	8.6
82.06582	7.2
83.01341	7.4
83.04972	3.8
83.06093	5.0
83.06892	1.7
84.08133	3.1
85.02902	31.5
85.06549	2.2
85.07669	3.6
86.06076	5.6
86.07194	1.3
86.07993	1.8
87.06851	5.1
97.02895	86.2
97.07668	4.0
99.04460	37.4
100.07595	1.6
109.02879	42.2
109.07656	13.7
110.06057	3.9
110.07958	2.6
111.09196	12.7
112.86560	1.3
115.03925	2.0
127.03922	100.0
127.07502	2.8
127.08677	7.9
127.10618	5.4
128.04251	2.0
128.07047	1.2
128.08179	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	127.0391
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.03946	25.2
55.01872	10.7
55.05506	2.1
55.09409	0.9
57.03440	4.7
57.07082	0.9
59.06118	1.6
61.58648	0.9
68.05020	1.8
69.03432	25.4
69.05356	1.5
70.06590	1.7
71.01349	2.3
71.04996	34.3
71.33280	2.1
79.05491	2.6
81.03422	17.7
81.07046	11.9
82.06586	1.3
83.01347	7.4
83.04977	3.2
85.02906	32.2
85.06554	1.4
90.96982	0.9
97.02893	100.0
98.03195	1.9
99.04453	39.5
99.08117	1.3
101.02390	1.3
104.39941	0.9
109.02880	21.0
109.06522	7.7
109.07626	1.2
110.73358	0.9
111.09199	3.7
115.03925	1.3
127.03916	94.9
127.07556	17.8
127.08537	1.4
128.04242	2.6
128.06218	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	127.0391
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.03951	31.7
55.01871	11.7
55.05505	3.3
57.03431	7.3
59.06126	2.3
67.05504	1.9
68.05028	2.9
69.03431	26.0
69.05370	1.9
70.06593	3.6
71.01324	1.6
71.04997	36.2
81.03424	29.3
81.07059	3.7
81.23229	1.6
83.01345	7.3
83.04985	4.2
84.44144	1.9
85.02908	30.7
85.07673	2.2
86.11946	1.4
88.13242	1.5
95.01339	2.1
97.02895	96.6
98.03223	1.8
98.20784	4.6
99.03865	2.8
99.04459	35.1
100.54156	1.3
109.02898	25.3
109.07650	3.8
111.09199	5.5
127.03922	100.0
127.08638	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	127.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	3.8
53.03949	25.2
54.04283	2.2
55.01869	14.6
55.05511	10.2
56.05031	3.8
56.96569	9.8
57.03453	8.3
57.04543	1.8
57.07064	3.5
58.06604	23.2
59.06116	6.5
63.51511	1.4
65.03927	2.7
67.05144	3.4
67.05505	67.9
67.93575	3.1
68.05015	4.6
68.05853	2.6
69.03431	12.5
69.05347	2.7
69.07069	72.0
70.06600	11.4
70.07387	2.6
71.01351	3.2
71.04611	3.2
71.04993	35.3
74.46703	1.4
79.05490	6.3
81.02939	3.3
81.03418	57.3
81.06605	2.3
81.07058	27.3
82.06582	14.0
83.01359	1.8
83.04981	2.9
83.06100	8.6
83.08632	6.3
84.04480	2.6
84.08125	4.4
85.02891	4.1
85.06543	3.6
85.07652	6.7
86.06075	16.9
86.07195	2.6
97.02892	4.2
98.03683	1.9
99.04454	10.3
99.05559	2.6
100.07621	5.5
100.08744	3.6
107.08602	1.4
109.02878	60.0
109.06545	3.6
109.07648	2.4
109.10158	100.0
110.02469	1.4
110.03201	3.9
110.06032	4.1
110.07970	1.7
110.10481	6.5
111.05590	2.5
111.09220	21.9
127.03922	100.0
127.04969	4.9
127.07472	5.9
127.08698	3.7
127.11192	4.8
128.03416	2.5
128.04285	5.5
128.06219	13.0
128.07097	10.2
128.08203	5.7
128.14366	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	127.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87243	1.3
53.00296	2.6
53.03949	12.6
54.03473	1.4
55.01870	6.4
55.05508	9.6
55.31731	1.6
55.31993	1.6
56.05027	1.9
56.96568	19.9
57.03440	8.1
57.07061	3.3
58.06609	13.6
58.77669	1.4
59.06115	5.2
65.03945	2.6
67.05506	65.9
67.93584	3.3
68.05035	2.9
68.05843	2.5
69.03442	9.0
69.05360	2.3
69.07066	73.7
69.34957	13.3
70.06602	9.0
71.01360	2.2
71.04995	28.1
79.05482	4.7
81.03416	30.2
81.07056	28.2
82.06591	10.1
83.06103	4.7
83.08620	4.7
84.08138	1.8
85.02901	5.3
85.06541	1.6
85.07670	3.6
86.06080	11.6
86.07198	2.2
96.33078	1.4
97.02922	2.6
98.20704	3.1
99.04446	5.3
99.05583	1.7
100.07616	3.0
100.08717	2.7
107.08635	1.6
109.02879	39.6
109.06530	2.9
109.07648	3.3
109.10155	100.0
110.03201	1.7
110.06023	3.1
110.10487	4.7
111.05573	1.6
111.09212	18.9
115.17686	1.5
119.38776	1.4
125.06402	1.3
127.03917	49.8
127.04999	4.8
127.05994	2.0
127.07472	4.7
127.08640	1.6
127.11208	4.5
128.03424	1.9
128.04280	2.1
128.06212	8.9
128.07080	5.5
128.08194	4.1
128.14371	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	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
51.87243	1.3
53.00296	2.6
53.03949	12.6
54.03473	1.4
55.01870	6.4
55.05508	9.6
55.31731	1.6
55.31993	1.6
56.05027	1.9
56.96568	19.9
57.03440	8.1
57.07061	3.3
58.06609	13.6
58.77669	1.4
59.06115	5.2
65.03945	2.6
67.05506	65.9
67.93584	3.3
68.05035	2.9
68.05843	2.5
69.03442	9.0
69.05360	2.3
69.07066	73.7
69.34957	13.3
70.06602	9.0
71.01360	2.2
71.04995	28.1
79.05482	4.7
81.03416	30.2
81.07056	28.2
82.06591	10.1
83.06103	4.7
83.08620	4.7
84.08138	1.8
85.02901	5.3
85.06541	1.6
85.07670	3.6
86.06080	11.6
86.07198	2.2
96.33078	1.4
97.02922	2.6
98.20704	3.1
99.04446	5.3
99.05583	1.7
100.07616	3.0
100.08717	2.7
107.08635	1.6
109.02879	39.6
109.06530	2.9
109.07648	3.3
109.10155	100.0
110.03201	1.7
110.06023	3.1
110.10487	4.7
111.05573	1.6
111.09212	18.9
115.17686	1.5
119.38776	1.4
125.06402	1.3
127.03917	49.8
127.04999	4.8
127.05994	2.0
127.07472	4.7
127.08640	1.6
127.11208	4.5
128.03424	1.9
128.04280	2.1
128.06212	8.9
128.07080	5.5
128.08194	4.1
128.14371	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	127.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	3.9
53.03945	29.7
55.01862	10.3
55.05508	17.5
56.04154	2.2
56.05035	4.5
56.96562	5.4
57.03425	10.2
57.04540	3.1
57.07052	4.6
58.06595	28.9
59.06112	8.3
65.03929	3.9
67.05501	62.7
67.93556	10.6
68.05025	6.5
69.03429	19.8
69.04539	2.7
69.07067	73.6
70.06591	12.7
70.06924	2.5
70.07359	3.6
71.01356	5.0
71.04990	35.5
71.49415	5.0
73.09554	2.0
79.05479	6.1
81.03416	71.2
81.07054	39.9
82.06569	18.9
83.04967	4.0
83.06097	11.1
83.08629	11.3
84.04504	2.8
84.08132	3.1
85.02904	10.7
85.05177	4.6
85.06532	6.5
85.07654	5.9
86.06078	21.3
86.07219	3.7
95.01323	3.5
95.64744	2.2
97.02885	9.6
97.07654	2.4
99.04449	8.1
99.05601	4.7
100.07621	10.7
100.08720	5.3
109.02877	75.3
109.06490	5.9
109.07637	4.6
109.10149	100.0
110.03249	3.2
110.06038	5.5
110.10495	5.7
111.05550	3.2
111.09212	29.8
112.56506	2.2
127.03920	99.5
127.05021	10.1
127.06120	3.1
127.07362	9.1
127.08652	4.5
127.11201	6.0
128.06221	15.7
128.07095	14.2
128.08209	8.4
128.14339	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	129.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41418	1.4
53.03946	2.5
55.01880	6.1
55.02997	1.5
55.05518	17.8
55.93245	1.2
55.93517	4.6
56.05042	11.6
56.96548	1.3
57.03421	1.8
57.05847	1.3
57.07072	7.6
58.06599	5.6
59.05008	6.3
59.06113	4.3
60.04506	2.3
65.03944	3.7
65.51143	1.3
67.05507	23.4
69.03432	38.8
69.04517	1.4
69.07070	68.7
70.06602	21.4
70.07400	2.2
71.04993	9.9
71.06923	4.7
71.48623	2.0
72.04529	7.1
72.08156	13.0
73.04046	1.2
73.06545	2.8
74.09720	6.0
79.05496	7.1
79.05876	1.3
81.04576	1.3
81.07040	3.0
82.06564	3.9
83.04979	6.2
83.06087	4.5
83.08620	9.0
83.49548	1.3
84.04508	33.3
84.08146	67.3
85.06543	3.7
85.07661	8.3
86.06076	7.2
86.09703	14.4
87.04445	3.7
87.05616	3.1
87.08106	1.9
87.09226	8.8
88.07639	5.5
90.40485	1.3
94.06579	2.2
95.04973	1.5
97.02886	2.8
97.06489	3.0
98.07182	1.9
99.05573	4.8
99.09219	2.5
100.07592	1.5
101.07158	1.7
101.10793	1.9
103.05482	2.5
105.13439	1.4
111.00791	1.9
111.04447	3.1
111.05571	2.8
111.08132	6.8
111.09207	3.9
112.03959	2.4
112.05092	3.8
112.07610	100.0
112.09521	16.1
112.11211	6.8
113.07142	6.8
113.10751	1.6
119.46858	1.3
128.06226	20.5
129.01848	41.3
129.02811	2.8
129.04504	1.7
129.05553	3.0
129.07048	18.8
129.09145	4.0
129.10249	18.1
129.13840	1.3
130.02194	1.9
130.06534	36.7
130.07608	2.0
130.07814	1.8
130.08653	19.0
130.09673	2.5
130.15956	10.7
132.48146	1.3
145.06482	1.9
146.96188	1.9
148.08957	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	130.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76004	0.2
53.03949	1.5
55.01867	0.9
55.02993	0.2
55.05516	1.4
56.01366	0.2
56.05033	1.9
56.96568	1.8
57.03426	0.4
57.07071	1.9
58.06599	0.4
59.06126	2.0
60.04530	0.4
61.02954	0.2
61.33801	0.3
67.05494	0.7
68.05035	0.5
69.03430	16.8
69.07076	2.3
70.03754	0.3
70.06592	2.9
70.07420	0.3
71.04993	0.7
72.04511	1.6
72.08154	6.2
74.09716	1.3
77.03926	0.4
82.06586	1.3
83.00767	0.3
84.04505	12.7
84.08141	14.3
85.02900	0.7
85.04022	0.4
85.06539	0.3
85.07665	4.0
86.06066	0.3
87.09245	1.6
88.07579	0.5
91.05482	15.5
93.70943	0.2
94.06567	0.5
95.04954	3.3
97.06360	0.3
98.04842	0.3
98.07181	0.4
98.97611	0.5
102.04667	0.7
103.05468	24.0
104.05797	0.4
105.04519	0.9
107.47619	0.2
110.01277	0.3
112.05074	1.1
112.07602	39.7
113.05908	0.3
113.07126	2.4
113.07938	1.2
113.10774	0.4
115.05450	3.2
116.05419	0.5
116.06232	5.6
116.98596	0.3
119.01833	0.3
128.04974	2.1
128.06133	0.5
129.07043	4.7
130.06526	100.0
130.08585	8.9
130.09741	1.2
130.13477	0.3
130.15923	2.1
131.04935	5.6
131.06049	0.4
131.06964	3.6
131.08556	13.7
134.99648	0.5
146.06010	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	130.0652
Annotation	Isoquinoline
Peak:m/z	Relative Intensity
51.76004	0.2
53.03949	1.5
55.01867	0.9
55.02993	0.2
55.05516	1.4
56.01366	0.2
56.05033	1.9
56.96568	1.8
57.03426	0.4
57.07071	1.9
58.06599	0.4
59.06126	2.0
60.04530	0.4
61.02954	0.2
61.33801	0.3
67.05494	0.7
68.05035	0.5
69.03430	16.8
69.07076	2.3
70.03754	0.3
70.06592	2.9
70.07420	0.3
71.04993	0.7
72.04511	1.6
72.08154	6.2
74.09716	1.3
77.03926	0.4
82.06586	1.3
83.00767	0.3
84.04505	12.7
84.08141	14.3
85.02900	0.7
85.04022	0.4
85.06539	0.3
85.07665	4.0
86.06066	0.3
87.09245	1.6
88.07579	0.5
91.05482	15.5
93.70943	0.2
94.06567	0.5
95.04954	3.3
97.06360	0.3
98.04842	0.3
98.07181	0.4
98.97611	0.5
102.04667	0.7
103.05468	24.0
104.05797	0.4
105.04519	0.9
107.47619	0.2
110.01277	0.3
112.05074	1.1
112.07602	39.7
113.05908	0.3
113.07126	2.4
113.07938	1.2
113.10774	0.4
115.05450	3.2
116.05419	0.5
116.06232	5.6
116.98596	0.3
119.01833	0.3
128.04974	2.1
128.06133	0.5
129.07043	4.7
130.06526	100.0
130.08585	8.9
130.09741	1.2
130.13477	0.3
130.15923	2.1
131.04935	5.6
131.06049	0.4
131.06964	3.6
131.08556	13.7
134.99648	0.5
146.06010	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	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
53.00315	0.9
53.03947	2.0
55.02990	0.9
55.05499	3.4
56.05045	4.1
56.05834	0.8
56.15199	0.8
56.96559	3.3
57.07077	78.2
58.07397	2.4
59.06118	3.6
69.03431	23.3
69.07064	3.5
70.03766	0.8
70.06584	3.7
71.01357	0.8
71.04996	1.4
71.24038	2.0
72.04502	3.0
72.08155	14.6
73.02930	0.9
74.06050	0.9
74.09719	53.4
75.10056	0.9
81.03440	1.0
82.06609	1.0
84.04504	11.0
84.08138	16.6
85.02918	1.1
85.07691	5.0
86.06042	1.0
87.09185	1.8
90.01563	0.8
91.05480	6.2
92.40622	0.8
95.04983	3.4
98.97569	1.6
103.05469	46.0
104.17958	0.9
112.07605	58.1
113.07130	4.8
113.07954	3.0
115.05477	1.1
116.06240	2.3
116.98619	1.0
129.07007	1.9
130.06535	20.6
130.08644	11.9
130.09721	2.2
130.15919	100.0
131.04933	8.0
131.06906	2.1
131.08537	5.1
131.16240	4.6
132.31964	0.8
134.62860	1.0
134.99673	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
56.05024	1.9
56.96560	1.8
57.03437	2.3
58.02951	0.7
65.03954	0.9
68.95288	0.8
69.03407	1.0
71.49992	0.9
72.04526	0.8
84.04469	0.8
86.06054	1.3
91.05479	100.0
92.05799	2.8
95.04974	1.5
96.79331	0.8
98.97626	0.7
103.05463	8.4
105.07017	0.8
107.27885	0.7
113.07928	2.6
115.05446	4.6
116.06239	15.0
117.05820	1.0
123.62203	0.8
128.06239	2.0
129.07008	12.7
130.07368	0.9
131.04903	3.7
131.08560	92.0
132.04440	0.8
132.06543	2.9
132.08046	1.9
132.08914	3.2
143.06047	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
56.96555	2.1
57.03428	2.8
58.06603	1.0
71.49445	0.7
71.49893	1.2
76.04239	0.7
91.05480	100.0
92.05808	3.6
95.04948	1.1
103.05476	9.2
105.07037	1.7
113.07934	1.9
115.05448	9.4
116.05419	1.7
116.06241	31.9
117.03851	0.8
117.06576	1.5
128.06219	1.6
129.07008	15.6
131.04924	3.2
131.08565	98.7
132.06573	3.2
132.08060	1.1
132.08917	4.8
133.06467	2.0
143.06105	1.2
148.37416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.8
55.01867	5.3
55.05495	6.9
56.05036	6.1
56.96567	100.0
57.03440	26.4
58.02962	3.3
58.06607	16.8
59.05009	3.1
60.04520	5.1
60.05642	25.4
60.95858	5.9
61.02935	6.0
64.82138	2.7
68.05029	7.3
69.03426	12.5
69.33760	28.4
69.76397	3.2
70.03783	3.8
70.06589	12.4
71.04992	3.6
72.04518	20.1
72.05647	41.9
72.08156	38.0
72.68186	2.7
72.89025	3.0
73.02914	18.1
74.03233	5.2
74.06090	7.3
74.97607	5.3
75.61282	3.0
81.03408	5.8
84.01549	5.4
84.04507	9.3
84.08147	12.3
85.02914	14.9
85.04394	3.3
85.04822	19.2
85.06544	3.1
85.08461	32.7
86.03201	3.2
86.06080	16.1
86.09707	6.6
87.00779	3.1
88.02692	6.0
88.07633	4.1
90.05554	23.8
92.01331	3.8
96.01543	3.8
96.08123	9.3
97.02908	9.5
97.96746	2.9
98.01313	5.3
98.03234	3.4
98.06068	5.6
98.20775	6.3
98.51501	4.0
98.97564	16.0
100.02473	3.9
100.07603	6.1
103.05470	4.9
109.02955	3.5
110.51457	8.7
114.05487	3.7
114.06672	12.4
114.09165	28.7
115.05044	5.5
115.08686	5.4
116.94101	2.9
116.98624	17.4
117.98985	3.9
118.03514	7.9
119.01869	16.4
119.51935	4.2
128.02335	5.1
128.52466	3.7
128.98593	4.3
131.01900	5.5
131.08987	5.2
132.06645	7.1
132.07716	20.6
132.10201	22.0
132.13838	2.9
134.99666	14.4
136.04572	5.9
137.01244	3.4
146.99719	8.1
149.01134	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	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01588	0.2
51.02391	0.7
53.03953	3.5
55.01872	0.7
55.05514	0.4
56.05042	1.4
56.96564	1.4
57.03439	3.1
57.04558	0.8
57.38634	0.2
57.88198	0.2
58.02951	1.0
58.05343	0.9
58.06596	1.1
59.06126	0.3
60.04534	0.5
60.95842	0.3
68.05010	0.7
69.03426	0.6
69.07073	0.4
69.58096	1.2
69.58504	0.5
70.06595	0.8
70.99580	0.4
71.06101	0.6
72.04525	1.4
72.08163	1.7
72.93787	1.1
73.04057	0.4
74.02447	0.2
74.06063	0.6
75.05615	1.7
77.03929	1.8
79.05508	1.7
81.03429	0.6
81.04543	0.4
82.05334	0.3
84.04513	0.8
84.05618	0.3
85.04023	0.9
86.06066	1.4
86.09709	2.1
86.10198	0.3
87.05596	1.6
88.07629	0.4
89.07139	0.5
90.90388	0.8
90.94819	0.5
91.05505	1.7
92.05804	0.3
93.07059	0.5
95.04971	10.1
96.04504	2.0
96.05300	0.6
103.05485	1.0
104.04994	68.9
105.03407	4.5
105.04527	2.5
105.05324	1.8
105.07037	7.2
108.95902	0.3
112.02203	0.9
113.02990	0.6
114.05517	0.7
115.04997	0.3
115.08699	0.8
116.07095	0.4
117.05737	0.4
118.07784	0.4
120.04380	0.2
123.04420	0.5
123.07932	1.5
131.08545	0.5
131.96722	0.6
132.04453	100.0
133.02901	1.4
133.04832	3.6
133.06522	2.8
133.07578	0.3
133.10127	4.3
144.04732	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	132.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
51.02369	1.1
52.02440	0.3
53.03950	4.5
55.01863	0.5
55.05508	0.6
56.05033	1.5
56.96558	1.4
57.03432	2.4
57.04556	0.6
58.02963	0.7
58.05346	1.1
58.06610	1.4
58.96156	0.3
59.06126	0.5
60.95852	0.5
63.39578	0.2
68.05026	0.6
69.03426	0.7
69.07068	0.5
70.06584	0.7
70.48586	0.5
70.99577	0.3
71.06107	0.6
72.04520	1.3
72.08156	1.9
72.93780	1.4
73.02936	0.3
73.04047	0.5
74.02444	0.3
74.06084	0.6
74.72226	0.2
75.05619	1.6
76.60606	0.3
77.03921	1.7
78.03465	0.5
79.05488	1.6
81.03421	0.8
81.04528	0.4
84.04489	0.6
84.05617	0.5
85.04031	0.9
86.06053	1.3
86.09700	2.4
87.05551	1.2
87.09215	0.3
88.07639	0.3
89.07170	0.7
90.90392	0.7
90.94845	0.6
91.05497	1.7
93.07029	0.4
95.04968	10.5
96.04486	2.2
96.05296	0.4
103.05471	1.0
104.04991	72.2
105.03402	4.7
105.04517	2.7
105.05330	2.4
105.07030	6.7
108.95847	0.3
112.02226	1.1
113.02987	0.4
114.05535	0.7
115.05415	0.3
115.08698	0.3
117.05769	0.4
117.07013	0.3
123.04369	0.2
123.07899	1.3
131.08557	0.4
131.96707	0.7
132.04451	100.0
132.08070	1.0
133.02846	1.1
133.04811	4.1
133.06491	2.6
133.07526	0.4
133.10150	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.60561	0.3
56.67349	0.3
56.96571	2.5
57.03419	0.6
57.05809	0.6
58.06590	1.1
61.01143	1.0
61.93744	0.4
69.03436	0.7
69.07069	24.3
69.92253	1.6
73.02905	0.5
75.49322	0.3
76.35194	0.3
81.03400	0.4
81.04559	1.2
82.05306	0.3
84.01580	0.4
85.02901	0.6
86.09708	100.0
87.02700	0.9
87.10044	2.5
94.46353	0.4
96.08098	0.3
96.21960	0.3
97.02898	0.6
98.97560	0.5
100.99158	0.4
112.02181	1.9
113.02950	0.6
114.09169	0.6
116.98723	0.4
119.00221	0.5
123.07914	2.3
132.10223	0.4
133.03308	0.4
137.04848	0.3
145.34731	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
50.01593	1.6
51.02380	4.6
53.03948	14.8
55.01868	1.3
58.58821	0.5
64.23984	0.4
67.05495	1.6
69.19132	4.8
77.03931	10.4
79.05492	2.6
81.03420	2.3
91.05482	3.4
92.22862	0.4
93.07024	0.5
93.31885	0.4
93.73830	0.5
95.04970	26.5
95.39279	0.4
96.05302	0.9
103.05478	1.5
105.03396	100.0
105.04531	4.8
105.07035	14.6
106.03731	3.2
106.07372	0.5
115.05465	1.2
118.07813	0.7
123.04433	15.1
127.15316	0.4
131.08569	0.7
133.02863	23.7
133.03975	6.5
133.04890	0.8
133.06483	5.5
133.10117	5.5
134.03210	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	133.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.2
51.02383	4.8
53.03949	13.7
55.01878	1.5
64.21826	0.3
67.05513	1.5
69.86791	0.3
70.07114	1.3
77.03485	0.6
77.03931	11.2
79.05488	2.5
81.03433	1.9
91.05499	2.1
93.07092	0.3
95.04971	25.1
96.05293	0.8
103.05470	2.3
105.03395	100.0
105.04531	5.4
105.07035	14.7
106.03731	3.8
106.07335	0.4
115.05456	1.1
115.94409	0.3
117.06982	0.4
118.07831	0.3
118.29937	0.4
123.04430	13.7
123.08098	0.6
124.04800	0.4
130.82822	0.4
131.08556	1.1
133.02864	24.0
133.03973	6.6
133.06500	5.3
133.10130	4.8
134.03209	1.0
134.04301	0.3
145.55074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03946	5.4
55.01871	4.7
55.05494	1.3
56.96553	0.7
57.04566	0.7
58.05333	1.7
66.04693	1.1
67.05530	0.7
69.35718	4.9
69.36124	1.1
74.06075	0.7
75.05583	1.5
75.47375	0.8
77.03926	3.9
79.05491	22.3
81.03401	0.9
85.04033	1.4
87.05575	1.0
88.03974	0.7
88.34914	0.6
90.04704	1.6
91.05485	10.8
93.07050	1.1
94.04216	0.6
95.04958	8.9
95.05510	0.9
95.52103	0.6
103.05466	16.7
105.03391	15.9
105.04526	2.2
105.07028	100.0
106.06609	0.7
106.07365	2.7
107.06078	1.0
112.02184	2.1
113.02995	1.2
115.05448	6.3
116.54299	0.6
117.07027	1.9
118.04182	6.5
118.07782	1.1
123.04452	1.4
123.07916	4.4
131.04938	1.6
131.08572	1.8
133.02850	5.1
133.06488	71.1
133.10132	14.7
134.05994	1.4
134.06946	2.6
144.04797	0.7
149.80624	0.7
151.97038	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.00315	1.0
51.02369	1.1
53.03939	3.1
55.01866	4.5
55.05503	1.1
56.96545	1.1
66.04720	1.2
70.81034	1.0
70.81358	1.7
77.03926	2.0
79.05495	18.1
90.04716	3.2
91.05489	11.7
93.07062	2.5
95.04948	6.4
95.58723	0.9
103.05474	13.0
105.03393	8.7
105.07033	100.0
106.07373	3.0
107.03240	1.0
112.02216	1.7
115.05463	5.6
117.07016	2.2
118.04159	10.9
118.07766	2.0
119.60123	1.0
123.04482	1.2
123.07941	2.7
131.04944	1.2
131.08597	2.9
133.02852	3.5
133.06496	78.4
133.10126	27.8
134.06836	3.9
143.58060	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	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
52.89856	0.4
53.03947	5.8
55.01881	2.7
55.05517	2.5
56.96549	0.8
58.05326	1.3
62.79121	0.5
65.03938	0.8
66.04723	1.0
67.05497	1.6
67.25693	0.4
69.03429	0.5
70.06593	0.5
70.81103	1.3
74.02445	1.5
74.06081	1.0
75.05610	0.9
77.03918	3.5
79.05494	17.4
80.05798	0.6
81.03392	0.7
81.04542	1.7
82.05303	1.0
85.04010	1.5
87.05590	0.9
88.03996	0.5
89.03946	0.6
90.04687	2.1
91.05482	20.3
92.05785	0.7
92.53500	0.5
93.07050	3.0
95.04974	10.1
102.04676	0.5
103.05474	10.8
105.03399	20.8
105.04477	2.6
105.07034	100.0
106.03728	0.7
106.06640	0.9
106.07375	2.9
107.04966	0.8
112.02201	3.3
113.02953	1.6
115.05460	6.2
117.06997	3.3
118.04172	7.0
118.07796	2.9
123.04450	2.4
123.07944	4.1
131.04930	1.0
131.08577	5.9
133.02870	8.4
133.06500	49.4
133.10130	32.5
134.05989	1.6
134.06931	2.8
134.10472	1.1
144.04774	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01589	0.7
51.02380	3.1
53.03951	9.5
55.01879	8.5
67.05502	0.9
71.48872	0.9
77.03925	6.6
79.05495	25.2
80.05823	0.9
81.03432	1.6
91.05486	14.2
93.07068	0.9
95.04972	19.2
102.95863	0.5
103.05473	15.4
105.03397	48.1
105.04434	4.6
105.07033	100.0
106.03743	1.3
106.07347	3.3
112.02225	0.6
115.05456	11.4
117.07024	2.0
118.04187	0.7
118.07803	2.1
123.04438	5.4
123.07982	2.3
128.42560	0.6
131.04897	0.8
131.08575	2.3
133.02855	11.9
133.03955	2.9
133.06494	55.0
133.10135	19.4
134.06807	2.5
134.10410	0.8
142.52110	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	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.7
51.02380	3.1
53.03951	9.5
55.01879	8.5
67.05502	0.9
71.48872	0.9
77.03925	6.6
79.05495	25.2
80.05823	0.9
81.03432	1.6
91.05486	14.2
93.07068	0.9
95.04972	19.2
102.95863	0.5
103.05473	15.4
105.03397	48.1
105.04434	4.6
105.07033	100.0
106.03743	1.3
106.07347	3.3
112.02225	0.6
115.05456	11.4
117.07024	2.0
118.04187	0.7
118.07803	2.1
123.04438	5.4
123.07982	2.3
128.42560	0.6
131.04897	0.8
131.08575	2.3
133.02855	11.9
133.03955	2.9
133.06494	55.0
133.10135	19.4
134.06807	2.5
134.10410	0.8
142.52110	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
50.01591	0.5
51.02382	1.5
53.03945	5.2
55.01870	1.2
55.05517	1.9
58.05341	0.5
61.30914	0.4
63.85832	0.3
65.03932	0.7
65.73441	0.4
67.05506	1.3
69.61700	2.1
77.03931	3.5
79.05497	16.0
80.05853	0.4
81.03416	0.4
81.04507	0.5
91.05481	20.1
92.05801	1.6
92.46845	0.4
93.07040	5.7
95.04968	10.1
96.05320	0.4
103.05464	8.6
105.03398	23.8
105.04461	2.0
105.07030	100.0
106.03710	0.9
106.07356	4.5
107.06058	0.5
107.08595	1.5
112.02172	0.8
113.03000	0.4
115.05457	5.7
116.06226	1.3
117.07027	5.9
118.07815	7.0
123.04429	2.9
123.08007	3.2
129.07013	0.9
131.08563	9.4
132.08896	0.4
133.02846	6.5
133.03964	1.4
133.06506	12.1
133.10129	63.3
134.06017	0.9
134.06995	0.5
134.10452	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02380	0.5
53.03943	1.6
55.01869	0.3
55.05511	2.5
65.03947	0.4
67.05498	0.6
70.40132	0.2
70.83369	0.7
77.03911	0.5
79.05494	7.6
84.12666	0.2
86.33225	0.2
91.05482	21.8
92.05807	0.5
93.07049	4.7
95.04970	3.0
103.05462	3.9
104.06260	0.3
105.03403	3.1
105.04540	0.6
105.07031	59.8
106.07354	2.1
107.08620	1.7
112.02203	0.3
115.05458	6.6
116.06293	1.5
117.07014	8.7
118.07813	9.1
119.08098	0.3
123.04406	0.5
123.07942	0.3
129.07018	0.7
131.08566	7.4
133.02907	1.2
133.06602	1.5
133.10127	100.0
134.03639	0.3
134.05974	0.3
134.07069	0.3
134.09583	0.4
134.10474	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.05499	1.8
57.09370	0.4
67.05489	0.4
69.49836	2.1
69.50252	0.9
72.01427	0.4
79.05492	6.3
91.05485	22.0
92.05779	0.6
93.07053	5.7
95.04972	2.5
103.05474	4.3
105.03385	0.6
105.07036	55.5
106.07375	2.0
107.08583	1.6
115.05465	7.3
116.06239	1.3
117.07025	7.1
118.07816	8.9
118.93187	0.4
123.08022	0.6
129.06984	0.6
131.08565	7.7
133.10135	100.0
134.10466	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03942	1.1
53.87923	0.2
55.05509	2.9
65.03922	0.5
67.05512	0.5
70.53299	0.5
70.53678	0.8
79.05498	6.0
91.05482	17.9
92.05811	0.4
92.06309	0.4
93.07049	5.0
95.04971	2.0
103.05476	3.2
103.25135	0.3
105.07034	50.4
106.07341	1.8
107.08615	1.6
115.05456	6.9
116.06260	0.6
117.07021	8.2
118.07816	6.9
123.81958	0.3
129.07034	0.6
131.08571	6.2
133.10130	100.0
134.10466	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02400	0.3
53.03946	1.4
55.05515	2.9
55.38383	0.3
65.03955	0.7
67.05505	0.7
70.83517	0.7
75.38328	0.3
77.03928	0.9
79.05497	7.3
91.05482	20.2
92.05829	0.8
92.06320	0.5
93.07043	5.7
94.07400	0.3
95.04965	2.7
103.05461	4.0
105.03402	2.1
105.07032	56.6
106.07372	2.1
107.08585	1.8
109.06538	0.3
109.41738	0.3
111.67227	0.3
115.05467	6.1
116.06254	1.8
117.07018	8.8
118.06539	0.4
118.07809	9.1
118.08614	0.6
119.08129	0.4
129.06976	0.7
131.08575	7.9
131.53200	0.4
133.02849	0.6
133.10129	100.0
134.03645	0.3
134.09584	0.4
134.10483	4.7
144.11888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
53.54246	0.4
55.05503	2.7
56.47211	0.3
62.18198	0.4
65.03953	0.4
67.05499	0.4
79.05495	6.4
91.05478	19.9
93.07038	5.7
95.04972	2.0
96.41431	0.4
98.20746	0.8
103.05460	4.0
105.07027	50.3
106.07356	1.7
107.08588	1.5
115.05457	5.7
116.06245	1.3
117.07023	8.4
118.07804	8.6
129.07008	1.0
131.08563	6.7
133.10124	100.0
134.10435	5.2
144.18336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	1.1
55.05509	2.4
59.95909	0.4
62.73933	0.4
65.03942	0.8
66.86623	0.4
67.05484	0.7
71.06662	0.7
71.07011	0.8
73.44127	0.4
77.03906	0.5
79.05486	6.7
80.05822	0.5
91.05484	19.6
93.07040	4.9
95.04966	1.5
103.05472	3.7
105.07034	48.5
106.07339	1.4
107.08592	1.5
115.05462	6.6
116.06258	1.1
117.07013	7.7
117.07784	0.7
118.07813	8.5
129.07040	0.9
131.08562	7.0
133.10130	100.0
134.10475	3.6
136.05641	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
52.31208	0.4
53.03932	1.3
55.05516	2.2
57.98404	0.5
64.41978	0.4
65.03925	0.4
70.83054	0.9
70.83432	0.9
72.77720	0.4
74.82605	0.5
79.05490	7.2
91.05481	19.5
93.07049	5.8
95.04978	2.0
103.05460	4.4
105.07033	55.7
106.07359	1.8
107.08575	1.6
113.43750	0.5
115.05460	6.9
116.06269	1.2
117.07020	9.2
118.07811	8.2
129.07054	0.8
131.07634	0.6
131.08569	7.6
133.10129	100.0
134.10477	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.01585	0.3
51.02368	0.3
53.03951	1.6
54.70356	0.2
55.05514	2.6
56.96576	0.4
65.03939	0.8
67.05511	0.8
68.35773	0.2
69.40691	2.0
75.50861	0.2
77.03942	0.6
79.05499	8.6
82.05342	0.2
91.05487	23.4
92.05820	1.0
92.06334	0.4
93.07051	6.4
95.04969	3.0
103.05473	4.1
104.68100	0.2
105.03407	3.0
105.04548	0.7
105.07037	63.5
106.06647	0.3
106.07344	2.9
106.07990	0.2
107.08628	1.2
109.06472	0.2
111.79436	0.2
112.02186	0.3
113.02927	0.3
115.05463	7.4
116.06295	1.5
117.06377	0.2
117.07022	9.2
118.07817	9.4
119.08107	0.4
123.04458	0.4
123.07961	0.9
129.06998	0.8
131.08582	7.8
132.08972	0.4
133.02866	0.9
133.06578	3.0
133.10135	100.0
134.05971	0.6
134.07104	0.5
134.10471	6.3
145.31474	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	134.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05867	9.9
56.96558	40.7
60.04500	11.8
60.65810	10.3
64.13753	10.0
67.05510	11.5
69.93269	51.6
79.05487	30.6
87.05586	28.1
89.51579	38.0
91.05480	23.2
93.07059	10.2
96.06873	14.0
98.97575	33.5
100.02492	17.1
109.07643	15.3
110.52686	21.5
113.03402	11.0
116.98595	55.4
118.03551	20.0
119.01885	20.7
119.20273	8.7
120.02041	12.4
120.48791	15.2
121.01670	24.2
122.02128	12.8
126.99097	24.5
129.49402	20.2
130.03476	13.9
131.01897	83.8
133.52966	14.1
134.99655	60.2
135.04407	25.1
135.06712	11.7
135.08043	19.0
136.02133	57.6
138.49881	100.0
138.99948	16.3
139.49670	13.3
148.04492	12.8
149.02966	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	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03936	4.4
55.01870	14.0
55.05512	3.0
58.97787	1.0
65.03928	8.0
67.05505	7.6
68.12895	1.0
69.03417	11.0
71.09573	2.4
79.05025	2.7
79.05492	55.3
79.72514	1.2
80.05820	1.6
81.07042	1.8
82.27908	1.2
82.55841	1.0
89.03914	1.3
91.05476	100.0
91.32396	1.0
92.05801	3.6
92.06274	2.8
93.07043	18.5
94.93746	1.1
95.04961	12.8
105.00685	1.0
105.07029	32.9
106.07375	1.8
107.04921	8.1
107.08586	58.8
108.08904	3.1
109.01094	2.9
109.06508	20.7
115.05444	27.8
116.06287	1.7
117.07015	19.6
119.06077	6.1
119.08591	2.4
120.05729	2.9
120.09330	1.8
135.04427	4.2
135.08052	50.1
135.11670	9.1
136.02150	34.6
136.03880	1.9
136.06181	12.4
136.07500	1.8
136.08421	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03940	4.4
55.01872	5.3
55.05504	1.2
56.96558	1.0
59.06129	1.2
59.18037	0.8
60.04521	2.1
63.22142	0.8
65.03939	6.8
67.02983	1.0
67.05495	4.4
68.05032	4.3
69.03423	2.6
70.73411	1.7
70.73818	1.9
75.05594	2.5
79.05497	42.0
80.05032	2.0
80.05832	2.0
87.05587	6.9
89.03925	4.4
91.05482	100.0
92.05807	2.6
92.06312	1.7
93.04560	1.2
93.05777	1.3
93.07036	10.0
94.04076	1.3
94.06570	1.8
95.04974	10.1
95.06058	4.6
96.06876	5.2
105.04543	1.8
105.07031	24.4
107.04950	13.3
107.06120	1.0
107.08591	49.7
108.04470	1.2
108.05611	1.6
108.08116	2.3
108.08875	1.3
109.01112	1.6
109.06513	13.6
109.07626	7.9
115.05456	57.8
116.05618	1.0
116.06258	3.0
117.03383	1.0
117.07021	33.9
118.07368	1.6
119.03541	3.5
119.05003	0.8
119.05289	0.9
119.06069	6.8
119.08593	1.8
120.05692	1.4
133.06505	1.9
135.04440	18.3
135.05446	1.8
135.08057	77.6
135.11617	1.9
136.02161	20.0
136.03900	1.7
136.06177	38.8
136.07533	4.2
136.08549	10.5
137.04599	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02360	1.1
53.03948	6.7
55.01867	1.8
55.05513	10.0
57.07074	1.0
60.22225	0.9
65.03931	3.2
67.05508	6.0
68.05013	3.9
69.07065	4.8
71.04505	1.9
71.04864	1.2
77.03937	1.6
79.05498	40.4
80.05024	1.1
80.05824	1.9
81.07056	6.0
89.03906	1.6
91.05486	58.7
92.05798	1.9
93.07044	56.0
93.42872	0.9
94.07855	0.9
95.04974	11.6
95.06083	2.1
96.06881	2.8
98.20750	0.9
103.05460	1.5
104.06284	1.1
105.03368	1.0
105.04520	1.6
105.07034	24.4
106.07860	1.2
107.04964	17.3
107.08592	100.0
108.04456	1.0
108.08917	3.8
109.01083	1.2
109.06503	10.3
109.07649	2.4
115.05437	4.8
117.07018	4.9
119.03544	1.8
119.06075	4.3
119.08596	11.3
120.09364	3.1
125.51250	0.9
133.10095	1.6
135.04411	8.3
135.05435	2.1
135.06522	1.4
135.08064	22.3
135.10876	1.0
135.11688	23.2
136.02171	21.9
136.05150	1.5
136.06177	16.8
136.07512	2.2
136.08545	5.5
136.12044	1.1
137.04591	1.6
137.09520	1.2
147.99168	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03943	9.3
55.01862	5.5
55.05514	16.0
65.03951	3.8
66.74625	1.5
67.05508	29.1
68.05019	7.8
68.33685	1.6
69.07059	6.5
72.02068	1.6
79.05494	100.0
80.05007	2.3
80.05803	3.2
81.07057	25.5
83.63266	1.9
89.03917	8.5
91.05480	77.1
92.05789	2.4
93.05788	3.4
93.07044	93.6
94.04054	1.8
94.07347	2.3
94.07861	2.7
95.04962	22.7
95.06101	4.1
96.06852	5.5
105.04523	5.2
105.07030	26.0
107.04957	16.2
107.08591	93.1
108.08171	1.9
108.08894	3.1
109.01095	3.8
109.06509	11.9
109.07613	4.6
115.05457	11.0
117.07021	9.8
118.30196	2.2
119.03541	2.7
119.06043	3.3
119.08595	12.4
120.09385	2.5
135.04425	22.9
135.05414	2.8
135.06657	5.0
135.08069	56.9
135.11691	59.5
135.12727	3.0
136.02168	60.2
136.03911	4.5
136.05124	2.0
136.06180	40.4
136.07545	5.1
136.08488	8.6
136.12035	2.5
137.04655	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02365	0.7
51.67344	0.9
53.03942	3.6
54.11583	0.7
55.05514	8.7
62.95487	0.9
65.03932	3.0
67.05498	3.2
69.07070	2.2
69.85867	5.7
71.33463	0.9
75.40817	0.9
77.03920	0.9
79.05495	18.0
81.07053	2.6
91.05486	61.1
92.05788	1.8
92.28584	1.0
93.07045	42.2
94.07373	1.5
95.04988	9.3
95.08580	1.2
101.40833	0.8
103.05450	1.7
104.06255	1.1
105.04515	1.9
105.06317	1.7
105.07033	31.7
106.07839	1.3
107.08594	100.0
108.08913	2.3
109.06529	10.5
114.29219	0.8
115.05398	1.3
117.07008	2.9
119.06060	4.4
119.08588	20.2
120.09399	6.7
133.10117	1.7
135.04405	1.7
135.08038	4.1
135.11693	26.3
136.06189	1.4
136.12050	0.9
147.02548	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	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.05511	7.1
57.07070	1.0
65.03944	2.9
67.05506	2.4
69.07066	2.7
70.05815	4.1
70.06222	2.0
77.03931	1.4
79.05491	19.8
81.07050	2.3
91.05482	56.8
92.05807	1.8
93.07043	50.5
95.04964	10.1
95.08624	2.1
103.05473	1.8
105.04506	2.0
105.07037	30.9
106.07850	1.2
107.04981	1.9
107.08594	100.0
108.08926	3.9
109.06525	12.5
117.07024	3.6
119.06071	4.9
119.08579	20.2
120.09373	8.2
133.10175	1.6
135.04439	2.0
135.08092	5.1
135.10721	1.9
135.11690	25.6
136.02187	1.4
136.06146	1.5
136.12109	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02393	1.1
53.03948	7.5
53.86095	1.0
55.01878	5.4
55.05273	1.3
55.05511	13.1
57.07064	1.0
57.16080	0.8
65.03952	4.5
67.02999	0.9
67.05506	36.2
68.05025	2.3
68.05851	0.9
69.03426	1.4
69.07068	8.1
71.49800	1.6
77.03925	1.7
79.05495	91.7
80.05836	3.0
81.03428	1.0
81.04507	1.0
81.07057	28.9
86.61590	0.9
87.45802	1.0
89.03938	1.7
91.05482	59.9
92.05797	1.9
92.06303	1.4
93.04496	1.3
93.07044	100.0
94.04034	0.9
94.07356	2.5
94.07867	1.4
95.04971	17.8
95.06110	1.6
96.06882	2.2
103.05492	0.9
105.04517	4.8
105.07030	14.8
106.07333	1.0
107.04957	13.5
107.08591	68.0
108.08130	1.9
108.08900	2.4
109.01083	3.3
109.06526	7.1
109.07624	2.1
115.05452	7.8
117.03336	0.9
117.07008	9.2
119.03565	2.1
119.06063	3.1
119.08570	3.3
120.05700	1.6
124.35477	0.9
133.10139	1.0
135.04440	11.5
135.05511	2.0
135.06573	2.2
135.08060	31.5
135.10902	1.9
135.11694	50.5
135.72855	0.8
136.02168	52.9
136.03853	1.9
136.05028	1.9
136.06171	24.6
136.07544	3.0
136.08630	2.9
136.12021	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
55.02985	0.2
56.68113	0.1
67.02975	0.8
69.83268	0.7
75.23947	0.1
77.23081	0.1
90.99879	0.1
91.05487	0.2
92.02494	0.9
94.04049	4.8
94.04635	0.3
109.05113	1.1
109.11100	0.1
112.05090	0.6
119.03549	12.8
120.03926	0.3
136.06183	100.0
137.04590	8.5
137.06615	2.6
138.05006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02991	0.5
69.83227	0.8
78.01789	0.1
82.04106	0.1
91.05476	0.7
92.02477	0.7
94.04057	3.8
98.21452	0.2
109.05129	0.7
111.39220	0.1
112.05076	0.6
119.03550	9.5
131.01915	1.0
136.06180	100.0
137.04591	6.9
137.06593	2.5
149.02977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02375	4.0
53.03948	26.0
54.04273	2.2
55.01854	3.4
55.05498	5.8
65.03945	10.2
66.04730	9.5
67.05505	46.9
68.05022	3.9
69.03415	3.2
69.07069	3.1
69.64235	9.6
77.03924	5.2
79.05077	2.3
79.05494	21.8
80.05007	5.0
80.05822	14.8
81.03419	8.0
81.07059	24.1
83.04979	2.8
91.05482	88.1
92.05811	3.8
93.05791	9.5
93.07049	31.4
94.04186	22.8
94.06567	2.7
94.07331	2.0
95.04969	54.0
95.06077	2.9
95.08619	8.7
96.05287	9.4
96.06874	3.2
97.06422	3.0
103.05442	2.3
105.03398	32.3
105.04472	9.8
106.04850	2.9
107.04972	16.8
107.08588	4.5
108.04528	2.8
108.05296	5.9
108.08137	14.5
108.08848	3.0
109.01098	2.6
109.02872	1.6
109.06519	47.0
109.07659	5.3
109.10154	35.7
117.06955	2.7
118.06568	1.8
119.03545	3.3
119.06061	2.9
119.08568	11.9
121.02895	3.6
121.06524	4.9
122.03656	22.2
122.07286	57.7
126.05518	10.1
135.08075	3.5
136.02182	19.2
136.04758	13.8
136.06190	40.0
136.07568	100.0
136.08591	6.4
137.02432	2.3
137.04808	2.4
137.05981	41.9
137.07901	4.7
137.09613	73.3
142.95700	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	136.0756
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
50.01602	1.3
51.02381	3.7
51.97640	1.3
53.03948	26.4
53.56587	1.1
54.04283	3.0
55.01867	3.0
55.05495	3.5
61.74157	1.1
65.03933	7.5
66.04720	8.8
67.05509	31.6
68.05025	4.4
69.07078	2.3
77.03929	5.7
79.05495	20.5
80.05012	5.2
80.05837	15.5
81.03414	5.2
81.07058	22.5
83.04979	1.4
91.05483	76.8
92.05810	3.2
93.05811	7.1
93.07048	29.6
94.04185	21.9
94.06566	1.6
95.04970	49.9
95.06025	2.2
95.08624	7.1
96.04552	1.4
96.05307	8.9
96.06850	2.9
97.06409	2.9
104.06306	1.4
105.03397	33.5
105.04481	11.0
106.04844	1.8
107.04953	11.7
107.08588	4.4
108.04511	3.0
108.05304	5.0
108.08134	15.1
108.08865	1.8
109.01132	1.7
109.06521	34.1
109.07634	3.5
109.10156	20.5
110.07151	1.6
117.07000	1.9
118.06541	2.0
119.03577	2.1
119.04973	1.5
119.06117	2.1
119.08591	6.7
121.02865	4.5
121.06509	3.3
122.03642	22.6
122.07293	33.7
126.05500	8.7
135.08032	3.0
136.02162	18.2
136.03835	1.7
136.04770	12.7
136.06194	34.4
136.07581	100.0
136.08604	5.2
137.02425	1.4
137.04688	2.2
137.05971	48.0
137.07964	5.3
137.09616	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01617	0.2
51.02367	0.5
53.03943	1.0
55.01869	0.8
65.03946	1.6
66.04723	7.2
67.05508	1.5
69.03432	0.3
70.24729	0.7
77.03916	1.0
79.05492	4.1
79.60098	0.2
81.03401	0.2
81.07051	2.2
84.12304	0.2
84.25648	0.2
86.05298	0.2
91.05477	4.2
93.03407	0.3
93.07024	0.2
94.04185	48.0
95.04485	0.8
95.05009	2.0
95.08614	0.5
95.11518	0.2
96.04527	0.2
99.76391	0.2
105.03394	0.9
106.72652	0.2
107.04957	2.0
109.06494	1.3
109.10144	0.7
119.08612	0.3
122.03645	66.9
122.07261	1.6
123.03985	2.7
135.04427	0.7
137.05977	100.0
137.09489	1.8
138.06320	4.3
138.09978	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03929	1.3
54.10110	0.8
55.01852	1.2
65.03931	1.6
66.04723	5.8
67.05498	1.7
68.23720	0.8
70.24854	4.1
73.57212	1.1
79.05491	4.6
81.00296	0.9
81.07069	2.1
91.05471	3.1
94.04183	43.0
95.04978	1.8
107.04964	2.4
111.99175	1.1
119.38253	1.0
122.03648	62.8
122.07275	2.0
123.03917	1.3
137.05977	100.0
137.09561	2.1
138.06343	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02380	1.2
53.03949	9.3
54.03453	1.5
54.04277	0.9
55.01870	5.3
55.05509	4.5
56.05033	0.9
57.03426	1.2
57.07062	1.0
61.47606	0.8
65.03948	8.0
66.04729	10.0
67.05509	60.8
68.05804	1.6
69.03440	5.4
69.04540	2.8
69.07064	2.3
69.97445	3.0
71.01338	3.1
71.65915	0.9
72.04498	2.0
77.03934	2.5
79.05497	37.4
80.05018	1.2
80.05811	1.9
80.06253	1.0
81.03434	4.7
81.04532	7.3
81.07059	49.1
82.06576	2.8
82.07372	2.1
83.06097	2.2
91.05484	46.2
92.05797	2.7
93.07061	11.3
94.04189	44.4
94.04804	2.1
94.06557	1.1
95.01359	1.0
95.04411	1.6
95.04976	22.9
95.06054	1.7
95.08601	15.3
96.04499	1.4
96.05623	3.1
97.04004	1.1
97.06409	12.5
97.07676	1.6
98.04795	2.5
103.05437	1.2
105.03397	13.6
105.04485	4.7
107.04958	14.1
107.08580	4.3
107.99764	1.0
108.05729	0.9
109.02906	1.3
109.06517	35.5
109.07648	1.8
109.10160	33.7
110.06052	2.1
110.07206	9.1
111.05577	3.0
117.07039	1.4
119.04955	3.5
119.08585	8.5
120.05592	2.0
121.02863	4.1
121.06517	2.3
122.03657	54.2
122.07291	32.3
123.03970	1.8
123.06825	1.3
127.07544	1.6
135.08052	1.0
137.02467	4.2
137.05977	100.0
137.08076	5.5
137.09625	51.1
137.10544	1.0
138.05481	4.2
138.06425	6.3
138.09117	4.4
138.10150	3.0
138.12782	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03937	4.3
55.01868	3.4
55.05508	6.9
56.60357	0.8
57.03419	1.2
61.94159	1.0
65.03936	3.3
67.05507	68.5
68.05842	1.3
69.03442	5.0
69.07068	2.3
70.43449	0.9
71.10544	2.1
77.03936	1.0
78.04669	0.8
79.05504	9.9
81.03416	3.4
81.07062	22.1
82.69853	1.0
83.04977	2.7
91.05484	29.9
92.05802	1.3
92.72662	1.0
93.07064	6.9
94.04179	3.7
94.07836	2.2
95.04970	16.4
95.08613	8.8
96.08112	0.9
103.05473	1.8
104.06261	1.3
105.03381	2.1
105.04528	1.5
107.04953	20.2
107.08604	6.1
108.05753	2.9
109.06521	53.0
109.10159	51.9
110.06844	1.7
110.10489	1.6
117.07007	3.9
119.06084	3.0
119.08584	20.1
121.06501	9.6
122.03661	2.8
122.07289	77.2
123.07644	2.5
135.08054	3.7
137.05989	4.4
137.09619	100.0
138.06555	1.0
138.09964	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02365	0.8
53.03953	3.9
53.68547	0.7
54.03456	3.1
55.01859	3.1
55.05513	7.6
56.05026	1.2
56.96563	0.8
58.40466	0.7
65.03943	5.7
66.04711	0.9
67.05507	67.0
68.05017	1.9
68.05831	0.8
69.03426	5.9
69.04546	2.8
69.07082	4.2
69.92573	2.7
69.92992	1.4
70.06563	0.8
72.04521	1.2
78.04643	0.7
79.02982	0.8
79.05495	14.0
81.03434	4.7
81.04546	7.8
81.07057	28.6
82.04217	1.7
82.06580	2.5
83.04987	4.0
83.06100	2.4
91.05483	32.0
92.05804	1.4
93.07041	11.2
94.04189	11.0
94.06577	1.5
94.07860	1.7
95.01315	1.3
95.04977	17.6
95.06081	1.3
95.08620	10.7
96.05683	3.2
96.06867	0.9
97.04008	0.8
97.06406	9.1
97.07658	1.0
98.04797	0.8
98.20736	0.9
103.05486	2.5
104.06251	0.9
105.04523	1.4
105.07038	1.1
107.04961	22.1
107.08610	5.4
108.05704	2.5
109.06523	52.4
109.10159	53.1
110.03644	1.5
110.06052	1.7
110.07236	4.5
110.09679	4.4
110.10477	1.8
111.05597	3.5
115.05479	1.0
117.06985	3.4
119.04943	1.0
119.06075	3.2
119.08581	16.8
120.05562	1.9
120.08109	0.9
121.04035	0.7
121.06496	9.2
121.07477	1.1
122.03662	10.9
122.07293	83.3
123.07639	2.8
135.08041	4.8
137.02464	1.4
137.05974	23.4
137.08292	4.2
137.09622	100.0
138.03130	0.8
138.05542	1.5
138.06590	3.5
138.09135	11.7
138.10103	3.5
141.15691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03937	3.5
55.01865	3.0
55.05510	7.0
65.03934	2.9
67.05144	3.5
67.05503	64.9
69.03422	5.2
69.07048	3.0
79.05503	7.5
81.03416	4.8
81.07056	23.3
83.04976	3.2
91.05480	30.9
93.07036	8.7
94.04183	3.5
95.04965	16.9
95.08607	8.8
97.98748	1.5
103.05465	1.7
104.06181	1.8
107.04951	19.2
107.08588	4.4
108.05753	2.7
109.06516	53.2
109.10154	50.7
117.07014	3.5
117.13349	1.7
119.05243	1.6
119.06060	2.6
119.08572	16.7
121.06509	7.6
122.03645	1.9
122.07289	77.7
123.07578	2.0
135.08069	5.8
137.09613	100.0
138.09947	3.6
154.45728	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91322	0.6
53.03946	4.5
55.01881	3.4
55.02099	0.6
55.05522	6.4
57.03426	1.4
60.66731	0.6
65.03943	3.9
66.04711	1.9
67.05508	66.0
68.05023	0.8
68.05835	1.9
69.03425	4.4
69.07076	3.6
77.03914	0.9
78.04675	0.7
79.05492	11.4
81.03429	4.4
81.04551	1.2
81.07058	25.1
83.04977	3.5
91.05483	34.5
92.05832	1.4
93.07049	9.1
94.04195	7.1
94.07815	2.4
95.04391	1.3
95.04970	17.7
95.06131	0.8
95.08612	10.8
96.05743	0.9
97.06427	2.7
103.05467	1.5
104.06247	1.2
105.03411	3.5
105.04520	0.8
105.07043	1.1
107.04958	22.2
107.08596	5.0
108.05727	2.3
108.94999	0.6
109.06521	54.9
109.10159	51.1
110.07164	1.8
110.10490	2.0
111.05586	0.8
117.07005	3.6
118.36440	0.8
119.05115	0.5
119.06069	2.9
119.08582	19.5
120.05544	0.9
120.08903	0.7
121.02861	0.8
121.06506	9.3
122.03663	8.6
122.07290	86.0
123.06791	1.1
123.07626	3.0
135.08040	3.1
137.05988	12.5
137.09621	100.0
138.05478	1.0
138.06528	0.9
138.09093	1.0
138.09991	5.3
138.12743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03944	1.5
55.05507	2.8
55.44575	0.6
55.94897	0.5
65.03943	1.3
66.98298	0.7
67.05504	27.4
69.03427	1.2
69.07072	0.9
69.26479	6.6
79.05480	3.6
81.07055	10.1
83.67563	0.6
91.05482	12.8
93.07043	5.1
94.04173	1.6
94.07836	2.0
95.04984	3.8
95.08602	5.9
101.72926	0.6
103.05465	2.6
104.06274	0.9
107.04957	22.1
107.08593	1.3
109.06531	2.2
109.10159	34.1
110.10505	1.5
115.05448	0.8
117.07001	2.5
119.08575	15.4
120.08909	0.7
121.06512	9.1
122.03696	1.3
122.07285	100.0
123.07614	2.7
135.08058	5.0
137.05978	2.7
137.09613	92.7
138.09961	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	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03949	1.5
55.01868	0.6
55.05512	2.2
63.65362	0.4
65.03945	1.5
66.04715	1.0
67.05505	28.9
68.05027	0.5
68.05836	0.6
69.03429	1.7
69.07063	1.9
71.20222	0.7
77.23960	0.3
79.05494	5.5
81.03430	1.1
81.07058	10.8
84.25578	0.4
91.04915	0.9
91.05482	14.1
92.05846	0.7
93.07046	4.7
94.04194	5.5
94.07843	1.4
95.04980	5.0
95.08606	8.3
97.06401	1.6
103.05442	1.9
104.06274	1.1
105.04520	1.1
107.04955	24.2
107.08624	1.3
108.05273	0.6
108.13423	0.4
109.06501	3.4
109.10157	34.8
110.07178	1.0
110.10487	1.4
115.05489	0.5
117.07077	1.9
119.04963	0.5
119.07730	0.8
119.08580	14.9
121.06510	9.9
122.03667	7.4
122.07288	100.0
123.07621	3.7
135.08061	4.1
137.02448	1.2
137.05986	14.5
137.09616	92.4
138.05524	1.5
138.06516	1.0
138.09953	4.1
139.07593	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	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02358	2.1
52.03141	0.8
53.00298	2.8
53.03954	4.8
54.03468	2.4
55.01858	3.1
55.05513	13.2
56.03794	0.8
56.05042	4.8
56.96569	25.5
57.04557	1.2
57.07076	0.7
58.02951	1.9
58.95863	0.7
59.06128	1.9
65.03934	2.8
67.02986	0.8
67.05486	2.0
67.97927	0.7
68.02301	1.5
68.02653	24.5
68.05031	1.5
69.03429	7.5
69.04546	0.8
69.07056	3.0
70.06578	2.5
71.05009	1.2
71.06113	2.6
71.95260	3.1
79.01859	29.6
79.05505	4.3
80.05025	1.2
81.03410	4.5
81.04538	3.3
81.07059	1.7
82.02953	0.7
83.04984	65.8
83.06080	5.2
84.04495	2.4
84.05273	1.1
85.02889	2.5
87.04465	2.9
91.05472	2.1
93.03408	0.8
93.07054	5.2
95.01335	1.8
95.04964	2.8
95.06092	3.1
95.08605	2.5
96.02115	0.8
96.04490	1.6
96.05618	4.0
97.02890	1.3
97.04860	0.9
97.06512	5.5
97.07665	1.1
98.07191	12.2
98.97588	38.5
98.98442	3.2
99.05572	3.7
105.07030	0.7
107.01319	2.4
109.02890	14.4
111.04447	67.9
111.08086	1.2
112.04022	0.8
112.04800	2.1
112.08738	2.7
113.07128	2.1
116.97308	1.4
116.98627	45.9
121.02885	0.8
121.06470	1.5
121.10153	1.8
122.06268	0.9
122.07154	6.7
123.05574	8.0
134.98846	0.9
134.99661	45.8
139.03911	100.0
139.05795	4.8
139.07544	3.3
139.08691	1.1
139.09782	6.6
139.11166	5.0
140.00223	1.1
140.04259	3.9
140.07123	1.1
140.08182	9.9
141.06580	1.7
153.00710	11.4
158.01193	1.4
158.79074	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	139.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
53.00293	2.9
53.03943	6.4
55.01873	1.1
55.05247	0.7
55.05509	9.9
56.05029	0.7
56.96555	2.4
65.03924	0.7
67.05505	0.8
68.02647	31.0
69.03427	3.6
69.18890	6.6
71.04989	2.8
79.01855	33.4
79.05498	5.8
81.03421	5.7
83.04977	63.5
83.15687	0.6
84.05303	0.9
85.02918	3.0
87.04490	3.0
93.07066	1.2
95.01318	1.6
95.04961	1.8
96.02110	1.3
97.06551	0.8
97.07652	0.6
97.78513	0.5
98.07172	1.7
98.97591	5.0
101.13412	0.6
107.01311	1.8
109.02879	12.7
109.06505	2.3
110.34698	0.6
111.04440	62.0
111.08018	0.7
112.04766	2.4
116.98616	4.0
122.07161	0.8
134.99655	3.1
139.03899	100.0
139.09755	1.2
139.11194	1.7
140.04266	2.9
140.08221	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	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.01601	1.5
50.73397	0.7
51.02375	2.0
52.03168	0.7
53.00301	3.5
53.03950	6.3
55.01873	1.7
55.05511	11.5
56.96560	0.8
57.03411	0.7
65.03941	1.6
68.02649	31.3
69.03426	3.7
70.96999	1.5
71.05015	3.4
77.68304	0.6
79.01854	30.8
79.02319	1.5
79.05484	4.6
80.02200	0.8
81.03420	4.9
81.07034	0.7
83.04981	68.1
84.05307	1.3
85.02915	3.9
87.04478	3.6
95.01319	1.9
95.04985	1.5
96.02097	1.6
98.97567	1.6
107.01319	1.9
107.04927	1.0
109.02870	13.5
109.06512	1.8
111.04443	63.8
112.04786	2.3
131.14890	0.7
139.03903	100.0
139.11169	1.8
140.04239	3.6
155.72820	0.6
156.30852	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69069	1.0
54.03469	3.8
56.03762	1.0
56.05040	11.7
56.96566	42.2
58.02971	1.6
59.03743	1.1
59.06118	3.0
61.36307	1.0
67.02982	1.5
68.05027	1.7
69.04546	1.5
70.46101	3.2
71.06116	3.2
71.95252	6.5
72.04533	2.0
77.52119	1.0
80.04964	1.3
81.04529	6.8
82.02948	2.5
83.06097	9.0
84.04528	2.7
85.07655	1.4
92.86302	1.2
95.06107	10.3
96.04501	2.6
96.05602	7.7
97.06386	2.6
97.42991	1.1
98.07186	6.1
98.97585	94.8
99.05591	5.5
99.97983	1.1
113.07142	4.4
116.97268	3.2
116.98623	100.0
117.99011	1.1
122.07169	3.6
123.05568	7.8
134.99657	76.7
140.08192	16.2
153.00713	14.9
158.01236	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	141.0546
Annotation	5-Methoxymethyl furfural
Peak:m/z	Relative Intensity
51.02376	2.5
53.03949	93.1
54.81495	1.1
55.05514	11.3
58.06619	1.5
63.72110	1.3
67.01862	2.2
67.05482	5.6
68.02633	2.0
70.84655	3.0
71.04974	4.9
74.57429	1.2
81.03421	69.3
81.07037	1.5
82.03721	1.5
83.04984	16.8
83.06123	1.4
85.06555	7.0
95.04949	3.7
95.08578	2.2
98.03664	2.7
98.97592	1.4
99.04452	2.2
103.89642	1.2
109.02882	100.0
110.03193	3.9
111.04459	6.5
113.02341	2.2
113.05997	8.0
123.00770	1.4
127.03917	25.2
127.70766	1.2
141.01811	3.0
141.04420	2.1
141.05473	27.3
141.06572	2.7
142.05899	1.4
155.97470	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07416	3.0
70.98739	4.0
70.99096	5.6
82.00002	2.6
92.31530	2.6
101.00864	13.5
118.03501	6.5
119.01925	100.0
127.26094	2.5
136.04568	12.3
137.02957	47.7
137.49968	4.2
142.03517	24.7
143.03612	2.9
160.04582	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	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67236	0.5
55.01848	0.9
55.05516	0.6
56.96570	0.9
57.03430	2.2
58.06591	1.7
58.99868	3.4
60.04525	3.9
60.08159	0.5
60.70808	0.6
65.86860	0.5
69.03425	1.4
70.30012	0.5
70.99114	0.7
70.99440	0.6
70.99867	2.7
73.02907	0.5
77.00912	4.6
81.04545	16.4
82.99815	0.9
83.06095	1.0
84.04486	1.0
84.08158	0.9
84.99001	0.5
85.02908	15.2
89.00892	2.5
89.28195	0.6
95.01960	2.7
95.06091	8.1
95.08942	0.4
97.02905	3.4
98.97613	0.7
100.02504	0.9
101.00874	17.6
102.00967	1.2
102.05528	0.7
102.09192	1.1
103.02437	0.8
107.77488	0.5
115.02423	0.6
115.03934	0.6
116.98598	0.6
118.03532	1.1
119.01924	100.0
119.15938	0.6
120.01995	6.8
121.01671	0.6
121.03466	0.6
125.02364	3.0
125.07107	6.3
126.05521	2.0
131.01920	0.7
137.02963	32.8
138.03073	2.3
142.03534	2.1
143.01952	1.8
143.03424	8.0
143.08145	4.5
143.11812	4.7
144.06564	5.5
144.10208	5.9
161.02963	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	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97638	0.4
55.01862	0.9
55.05502	0.6
56.05032	1.4
56.96568	9.2
57.03433	2.4
58.06590	2.6
58.99868	3.1
60.95846	1.2
61.02919	1.3
68.05021	0.6
69.03423	1.8
69.88225	0.5
70.06593	1.0
70.98118	0.7
70.99854	2.9
71.11516	0.6
71.95267	0.5
72.08135	0.8
73.02917	1.5
73.96085	0.4
77.00910	5.2
81.03434	0.7
81.04542	9.2
82.99832	1.0
83.01314	0.4
84.01585	0.4
84.04495	0.6
84.08134	1.9
85.02892	1.6
86.06071	1.1
86.09693	1.1
88.02688	0.8
88.07628	0.8
88.99156	0.8
89.00889	1.7
89.28851	0.4
91.19179	0.4
95.01396	0.5
95.01949	1.8
95.06091	5.5
97.02903	1.7
97.07663	0.5
98.01305	0.7
98.06060	1.0
98.09694	0.8
98.97568	1.9
99.53457	1.1
100.02476	1.6
100.07616	1.0
101.00880	18.3
102.00992	1.3
102.02412	1.0
102.96869	2.1
103.02446	0.9
107.01858	0.7
107.89873	0.4
108.54054	0.4
111.28831	0.4
113.53194	0.7
114.09147	0.7
115.02460	0.6
116.98623	2.8
118.01071	0.8
118.03512	1.6
119.01920	100.0
120.01996	7.8
120.97910	2.8
121.01627	1.0
121.02383	0.6
121.03510	0.9
125.02395	2.1
125.07117	3.9
128.98610	0.5
131.01872	1.1
131.54250	0.7
133.03435	1.1
134.99649	1.5
137.02956	32.5
138.03024	2.5
138.98981	2.0
141.02734	0.7
142.03513	3.7
143.01926	2.8
143.03397	5.7
143.08162	2.4
143.11787	1.0
144.04825	1.1
144.10188	4.3
146.99614	0.6
154.03532	0.6
160.04561	0.8
160.97581	0.7
161.02959	6.0
162.03120	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	143.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
56.05014	0.9
56.96355	0.6
56.96569	6.5
57.03432	2.4
58.06591	0.8
58.99864	2.8
60.04536	0.8
60.95847	0.7
61.02922	0.9
68.02647	0.5
69.03426	1.0
70.06580	1.0
70.98122	0.9
70.99844	2.1
72.08157	0.7
73.02927	1.6
77.00907	4.5
78.52956	0.6
81.04547	7.2
84.04498	0.9
84.08143	2.3
85.02905	1.5
86.03729	0.6
86.06100	0.6
86.09706	0.8
89.00881	2.3
95.01937	1.9
95.06084	5.5
96.08083	0.6
97.02895	1.1
98.01263	0.7
98.06079	0.5
98.09667	0.8
98.97587	1.4
100.02464	0.9
100.07623	0.7
101.00887	19.2
102.00967	0.6
102.02400	0.9
102.96880	1.6
103.02434	0.8
110.93973	0.5
113.53223	0.8
114.09177	0.7
116.84522	0.5
116.98625	1.4
118.03530	0.9
119.01929	100.0
120.02011	6.8
120.97930	2.1
121.01578	0.8
121.03505	0.9
124.02402	0.6
125.02323	0.8
125.07124	4.1
131.01924	1.1
131.54219	0.7
133.03474	1.2
134.99666	0.7
137.02963	26.8
138.03038	2.6
138.98952	2.1
142.03511	2.8
143.01947	1.8
143.03427	3.5
143.08189	2.4
143.11832	0.7
144.10201	3.7
161.02983	6.1
161.04324	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	143.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.4
53.03939	1.9
55.01870	6.3
55.05516	12.4
56.05028	7.1
56.96558	1.9
57.03440	7.3
57.07068	2.5
58.06590	4.8
58.99841	1.1
59.04985	2.0
59.06122	5.8
60.04515	4.5
60.95826	1.9
65.03942	1.5
67.05505	5.8
68.05021	7.5
69.03429	86.2
69.05364	1.1
69.05802	2.8
69.07068	100.0
69.29185	3.6
69.29610	7.2
70.03768	1.5
70.06595	6.2
70.07388	1.4
71.04995	13.2
72.04500	2.1
72.08114	1.2
73.06554	1.6
74.06068	2.1
75.05614	1.4
77.00900	1.4
79.05489	17.6
80.05012	4.0
81.03407	2.5
81.07047	5.5
82.06572	15.8
83.04984	26.8
83.06090	6.8
83.07352	3.3
83.08617	2.1
84.04519	7.0
84.06409	1.2
84.08117	2.3
85.02922	8.9
85.06526	4.8
85.07665	2.1
86.06075	10.1
86.09717	3.3
87.04460	2.5
87.06836	2.3
87.09229	1.4
95.04966	3.5
96.08134	13.1
97.00826	1.9
97.02899	14.8
97.06535	61.0
97.07566	8.0
97.08272	2.0
97.08918	22.5
97.09524	1.6
97.10184	2.4
98.06048	5.1
98.07210	2.7
98.09743	1.7
98.20809	2.4
99.05570	2.4
100.03976	1.2
100.08749	1.9
101.00905	2.2
101.07157	5.8
102.05516	2.6
102.96830	2.1
104.04992	3.2
107.08582	4.4
108.06872	1.6
108.08066	1.3
109.07649	3.8
110.09682	17.9
111.10024	1.4
114.05423	1.0
119.01928	21.5
120.02045	1.5
120.04514	1.3
120.97900	3.1
121.00789	1.7
123.44850	1.1
125.02357	17.7
125.05998	10.3
125.07097	4.5
125.09591	1.4
125.10755	1.2
126.03796	1.2
126.05519	3.5
126.06628	2.7
127.05151	1.3
127.08626	1.8
128.06218	5.3
128.55775	4.9
129.04449	1.5
129.56577	2.0
130.02823	1.6
131.06081	2.1
132.04451	45.1
133.04814	4.8
136.07587	12.8
137.02968	9.2
138.98967	5.7
139.01822	6.3
142.57341	8.5
143.03397	79.0
143.07103	4.0
143.08234	1.9
143.10089	1.6
144.03722	2.8
144.04782	1.9
144.06551	4.0
144.07912	3.9
147.05536	46.1
148.05862	4.4
159.05577	2.4
160.06328	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	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
51.69799	1.4
53.03939	1.7
55.01864	1.7
55.05513	16.3
57.07076	17.1
60.04524	1.6
65.19069	1.5
67.05508	13.0
69.03440	7.5
69.07051	3.8
70.64900	3.3
70.65297	3.2
71.04994	100.0
72.05315	2.0
72.77541	1.5
73.06561	9.7
79.05469	4.3
81.07040	4.0
83.04988	11.2
83.08627	7.9
85.02902	2.9
85.06544	39.9
90.47986	1.6
97.02881	5.8
97.06490	2.3
97.10174	11.4
105.07029	1.8
107.08598	29.7
109.06541	1.6
119.01907	5.8
125.02343	4.5
125.09621	15.8
125.92266	1.5
128.06226	9.3
139.01813	3.9
143.03407	18.2
143.08533	2.3
143.10683	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	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42069	1.2
55.01864	4.1
55.05280	1.6
55.05510	18.6
57.07073	17.9
58.06614	1.3
59.04988	5.2
60.04516	3.1
60.95835	3.1
65.03940	1.8
67.05495	11.9
69.03429	12.4
69.07066	3.1
69.51044	8.4
71.04991	100.0
73.06561	12.3
75.37975	1.4
79.05489	5.9
81.07043	5.5
83.04972	13.4
83.08615	5.6
84.04513	2.4
85.02916	7.9
85.06543	44.0
91.05476	2.7
97.00808	2.8
97.02895	16.1
97.06538	2.1
97.10169	10.8
98.06027	2.2
102.96868	2.2
105.07073	2.6
107.08599	28.2
111.07931	2.2
112.90076	1.2
115.05460	2.3
119.01898	7.6
119.36445	1.2
120.02042	1.6
120.97876	4.0
125.02336	17.0
125.09630	18.4
128.06232	17.7
137.02940	2.9
138.98918	5.4
139.01811	5.7
143.03392	71.6
143.08485	6.0
143.10680	5.5
144.06557	2.6
144.08047	3.6
144.09103	1.5
157.00047	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	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.03934	1.9
55.01864	4.7
55.05514	21.5
56.02202	1.5
56.96538	1.3
57.06806	1.8
57.07075	21.4
58.90676	1.3
59.04989	4.2
60.04517	1.4
65.03937	1.5
67.05508	11.2
69.03439	10.9
69.07056	3.4
69.58414	3.6
69.58825	5.0
71.04993	100.0
72.04517	2.1
72.80853	1.3
73.04802	1.4
73.06555	11.4
79.05488	4.6
81.07050	5.1
83.04989	10.1
83.08613	8.8
85.02914	5.9
85.06545	43.5
86.06857	1.5
91.05483	3.6
97.02895	9.3
97.06535	1.8
97.10176	13.4
98.06030	2.6
98.20792	2.6
101.00913	1.8
105.06992	3.3
107.08595	31.5
108.08940	1.9
109.65318	1.2
115.05442	1.2
119.01903	6.0
120.97940	1.3
125.02352	12.4
125.09628	14.6
126.05580	1.7
128.06216	9.9
139.01833	2.8
143.03400	40.2
143.08577	2.9
143.10666	2.3
143.12651	1.8
144.03761	1.5
144.06587	2.0
144.08064	1.6
156.70369	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	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83080	1.3
56.05032	3.3
56.96562	3.4
58.06597	2.8
59.06131	9.5
60.04518	2.0
60.95850	9.4
65.72640	1.3
68.05005	2.0
69.03412	1.7
70.06581	6.2
70.98352	3.0
70.98689	1.6
71.04984	1.8
72.04501	2.6
72.08162	1.3
74.01254	1.2
78.57678	1.5
78.99745	1.6
82.06582	2.9
83.06100	4.5
84.04526	2.3
84.96066	1.4
85.02898	6.4
85.04008	3.6
85.07676	1.6
86.06062	6.4
97.00816	6.2
97.07626	1.5
98.06066	3.1
99.04490	1.8
99.05560	2.2
101.07140	4.9
102.00960	6.7
102.02176	2.2
102.96863	15.2
103.00625	11.4
106.89501	1.4
109.07633	9.1
110.06002	2.3
119.01925	18.5
120.02031	63.0
120.03252	15.4
120.97900	17.9
121.00817	5.4
121.01658	100.0
127.08692	6.1
137.02979	11.8
137.03969	2.1
138.03061	38.1
138.04271	16.7
138.49866	2.9
138.98938	17.4
139.01790	16.7
139.02716	60.7
144.03217	26.3
144.06537	4.1
144.07933	2.0
145.09732	1.5
157.00002	5.5
162.04276	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	145.0496
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03950	10.7
55.01875	13.3
55.05510	6.1
56.05028	4.7
56.96568	11.3
57.02467	0.8
57.03438	15.1
58.06609	4.9
59.04995	1.5
59.06122	7.7
60.04527	2.9
60.97330	1.0
61.01150	1.1
61.02928	14.7
62.92979	3.3
67.05516	1.2
69.03432	68.5
70.03767	1.2
70.06590	7.6
71.01366	1.5
71.04991	12.7
71.06109	1.0
71.47684	1.5
72.04492	1.9
72.08157	15.0
73.02933	4.9
73.06559	2.8
74.06085	2.7
75.74062	1.0
79.00668	1.7
81.03425	18.3
82.06567	6.1
83.01357	6.0
83.04987	1.6
83.06078	1.4
84.04508	2.5
84.08135	3.7
84.96028	1.4
85.02907	100.0
85.04010	10.9
85.07658	3.9
86.03234	2.1
86.06082	5.2
86.09686	1.2
87.04475	5.3
88.07612	1.2
91.05477	2.2
97.00858	0.9
97.02894	39.2
97.07652	1.9
98.06066	1.8
98.97588	4.2
99.04456	21.5
99.05559	2.1
100.02190	1.6
100.07633	3.1
101.02407	1.8
102.05539	1.5
103.00623	3.1
104.07093	1.9
105.07003	1.3
109.02871	6.7
109.07679	1.1
110.06040	2.6
112.11243	3.2
115.05457	1.7
115.08682	0.9
116.98634	3.9
117.07034	4.0
117.60867	0.9
118.06530	2.6
119.01871	2.6
121.00796	2.0
121.01660	18.7
121.02482	1.3
121.96634	9.1
127.03915	9.4
127.08731	2.7
128.04959	1.1
128.07092	3.7
130.07771	1.3
133.01669	0.9
134.99683	2.2
139.01805	4.4
139.02750	6.0
145.01714	1.2
145.04991	6.1
145.06609	4.3
145.07645	3.0
145.09677	7.8
146.06000	6.0
146.08127	1.5
146.99712	1.2
147.03317	1.4
149.03065	1.1
163.02722	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89967	0.9
53.03944	1.7
56.96552	1.3
57.03429	1.4
62.92993	9.8
66.70166	0.7
67.05499	1.9
69.03409	1.6
69.55657	0.7
71.04990	3.1
71.49741	1.7
79.05476	4.2
81.03397	1.1
85.02914	2.8
86.03204	1.0
86.06069	1.1
91.05488	16.9
97.00803	0.8
97.02895	1.9
99.04466	6.8
103.05447	4.1
105.07034	76.8
106.07372	3.2
115.05446	10.8
116.06232	3.1
117.07024	38.7
117.65968	0.9
118.06539	3.6
118.07310	1.4
121.96648	14.8
127.03927	1.6
128.04993	1.2
128.06215	7.0
129.06998	11.9
130.07788	44.9
131.04988	0.9
131.08159	1.2
139.01805	1.4
143.08572	10.6
144.98238	1.8
145.03917	0.9
145.05342	1.4
145.06487	4.3
145.10127	100.0
145.84329	0.9
146.05984	3.4
146.07031	1.0
146.08116	1.4
146.10521	5.7
155.06058	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92994	7.6
67.05505	1.5
69.03423	1.1
69.89947	1.9
69.90355	2.4
71.04954	0.7
71.82296	0.7
76.90725	0.7
79.05490	2.1
85.02903	1.0
86.03229	0.8
86.06070	1.2
91.05487	13.8
92.37492	0.7
99.04461	3.0
103.05457	2.6
105.07034	68.3
106.07376	3.2
115.04808	0.9
115.05463	8.1
116.06226	3.0
117.07014	24.4
118.06544	2.4
118.07336	1.0
121.96647	10.3
127.03864	0.9
128.06198	4.7
129.07024	9.1
130.07790	41.5
131.08139	1.3
143.08565	9.3
144.08820	0.7
144.98291	0.8
145.06516	1.8
145.10124	100.0
146.05991	3.2
146.10475	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	146.06
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
51.02372	0.9
53.03944	1.8
55.01883	0.9
55.05499	2.2
56.05027	2.8
56.96563	8.8
57.03430	1.9
58.06601	6.3
59.06120	1.5
60.04520	1.2
61.02924	0.7
65.03938	4.5
69.03429	2.6
69.07052	1.7
70.06589	3.2
71.04987	1.2
71.48705	1.3
71.95226	0.9
72.04501	0.8
72.08153	42.1
73.02930	0.8
73.06550	1.1
75.05592	1.0
75.09251	0.9
81.03433	1.4
82.06580	2.1
84.04508	5.7
84.08138	7.5
85.02905	2.7
86.06049	3.6
87.04463	1.6
88.07615	2.5
90.03423	1.3
91.05478	71.1
92.05012	2.3
92.05817	1.1
95.04954	3.6
97.02879	1.5
98.97572	2.3
99.05558	1.5
100.07572	1.7
103.00745	0.9
103.05474	3.0
104.04990	16.2
104.90815	1.0
105.04518	1.8
105.07030	1.8
110.06027	1.3
112.11244	10.2
116.98627	2.4
117.05757	6.9
118.06539	100.0
119.01881	1.4
119.04942	37.1
119.05901	1.2
119.06763	3.9
119.08575	2.3
120.04516	1.0
121.01714	3.0
123.96449	1.8
128.04961	30.9
128.05920	1.5
128.07043	1.4
129.04475	8.3
129.05342	1.7
129.06625	2.5
129.10237	2.5
129.13887	1.5
130.02878	5.0
130.03876	1.4
131.07381	0.8
134.99649	2.4
139.02765	0.9
144.00781	0.8
144.01970	0.8
145.01659	0.8
146.06006	89.7
146.08020	2.5
146.99696	0.7
147.03300	1.6
147.04398	16.3
147.05536	55.1
147.08018	1.6
147.09158	1.0
147.11693	0.8
160.82828	0.8
162.03128	1.7
163.02713	0.8
164.03416	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	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
53.03944	1.5
55.05511	1.4
56.05027	2.8
56.96567	3.5
57.03436	1.7
58.02940	0.6
58.06606	4.0
59.06118	2.8
60.04524	2.0
61.86025	0.7
64.92822	1.0
65.03934	3.3
67.05502	1.1
68.05016	0.8
68.96288	0.7
69.03425	0.7
69.74411	0.7
70.06590	2.9
70.88506	1.5
71.05000	1.4
72.04510	1.5
72.05367	0.7
72.08154	18.7
74.06079	0.9
75.05614	1.6
75.09232	0.6
79.05488	1.3
79.83049	0.6
82.06579	1.7
83.06107	0.9
84.04521	4.9
84.08149	3.5
85.02912	1.1
85.07745	0.7
86.04365	0.6
86.06062	4.0
88.07626	3.3
90.03453	0.6
91.05479	60.1
92.05007	1.1
92.05817	1.4
95.04993	1.5
99.05576	1.4
100.04774	0.9
100.07606	2.5
101.07147	1.3
102.05547	1.3
102.10931	0.6
103.05476	1.8
104.04979	2.4
104.90832	1.3
105.04533	1.4
105.07059	2.9
106.05293	0.8
107.04916	0.8
109.06535	0.6
110.03288	0.6
110.06037	0.9
111.04446	0.9
111.09169	0.6
112.11241	3.1
117.05784	5.6
117.07045	1.8
118.06542	100.0
119.04936	25.1
119.06023	1.4
119.06760	3.6
119.08588	6.0
120.04523	0.8
123.96440	1.3
128.04973	27.7
128.07083	1.7
129.04501	1.4
129.05367	1.2
129.06639	2.3
129.10248	2.5
130.02899	2.5
146.06010	99.8
146.08055	3.1
147.04405	12.9
147.05542	20.6
147.06374	2.3
147.08037	2.9
147.09122	1.3
147.11694	2.2
158.06694	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03941	0.8
55.05516	0.5
65.03942	5.0
70.96204	0.7
73.96201	0.3
79.05459	0.5
84.04494	0.7
84.08130	0.3
84.66959	0.3
91.05482	43.0
92.05009	4.5
92.05807	0.8
93.07056	0.3
95.04955	1.9
102.05570	0.4
103.05499	0.6
104.04993	7.0
105.04509	0.4
105.07034	2.8
107.04965	0.6
117.06991	1.0
119.04945	38.8
119.08586	3.9
120.04460	4.5
120.05297	1.0
120.08134	0.4
123.96460	0.4
129.04469	2.5
130.02895	9.2
130.03966	1.2
130.06523	0.5
132.05699	0.4
147.04408	15.6
147.05515	100.0
147.11693	1.3
148.04843	0.5
148.05856	2.7
148.08647	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
53.03959	0.7
55.05509	0.9
56.98879	0.5
57.27990	0.4
65.03940	11.1
67.05508	0.6
70.76038	0.7
70.76372	0.9
79.05497	1.3
81.07018	0.5
84.04508	0.9
86.00508	0.4
91.05482	100.0
92.05806	2.6
95.04972	0.7
103.05458	0.8
104.04972	0.8
105.07031	10.0
107.04926	0.6
107.08580	1.0
117.07008	3.4
119.04942	87.0
119.08583	14.8
120.04480	0.8
120.05292	2.9
123.96456	0.5
128.83098	0.4
132.09372	0.4
145.10165	0.9
147.04407	34.2
147.05536	7.0
147.08026	2.5
147.11691	6.5
148.04736	0.8
157.93866	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	147.0552
Annotation	2-Hydroxyquinoxaline
Peak:m/z	Relative Intensity
51.02385	0.7
53.03948	2.6
55.56151	0.3
60.73879	0.4
62.10099	0.4
65.03935	1.4
66.42101	0.3
66.59286	0.4
70.95691	0.6
70.96018	0.5
77.03926	1.0
81.03429	0.5
91.05457	1.1
92.05008	6.1
95.04969	5.5
104.04990	32.1
105.04559	0.8
105.05315	1.2
107.40478	0.4
119.04913	0.5
119.06053	2.1
120.04465	4.8
121.14596	0.4
129.04486	16.6
129.14400	0.4
130.02887	8.4
130.03996	1.8
130.04854	0.6
134.88504	0.3
147.05530	100.0
148.05911	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	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
51.41870	0.6
53.03951	1.6
53.14394	0.5
55.01869	5.1
55.05516	1.9
59.50710	0.6
64.23010	0.6
64.60473	0.5
64.60812	0.6
64.92813	3.2
65.03938	6.1
66.34003	0.6
67.05509	2.8
69.07071	0.9
69.82588	1.7
69.82999	1.8
72.97842	0.5
77.03910	0.7
79.05491	7.3
80.99200	0.5
81.03428	0.7
81.07076	1.6
84.04527	1.4
88.18802	0.5
91.05482	100.0
92.04978	1.5
92.05807	3.8
92.46763	0.5
92.53424	0.5
93.07035	2.4
95.04961	2.9
103.05477	4.8
104.04987	2.0
104.06255	2.4
105.03331	0.5
105.04546	1.1
105.07035	25.0
106.81882	0.5
107.04954	4.0
107.08633	1.4
113.78548	0.6
115.05471	2.4
117.07021	9.6
119.04942	38.3
119.08580	34.7
120.04445	2.0
120.05223	1.3
120.08907	0.9
123.96463	4.7
128.06210	2.0
129.04518	0.9
129.06999	4.0
130.02902	2.4
131.04927	1.9
131.08560	0.8
132.05725	4.2
132.09351	1.0
137.05971	13.3
138.06332	0.8
139.62808	0.6
145.10106	2.1
147.04407	5.9
147.05544	24.8
147.08044	53.8
147.11682	13.9
148.03899	0.9
148.05933	1.1
148.08398	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	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03929	2.0
55.01863	1.1
55.05507	9.2
55.74883	0.9
56.96559	1.9
64.92795	3.9
65.03938	2.4
67.05478	2.7
69.07048	2.8
71.20324	2.1
79.05477	7.2
81.07047	2.5
81.78598	1.1
83.83196	1.0
84.04489	3.8
91.05477	45.1
92.04984	2.5
92.05804	1.1
93.07054	3.7
95.04971	3.3
103.05473	6.3
104.04984	2.5
105.07029	100.0
106.07349	4.3
107.04935	2.4
107.08578	3.0
115.05436	1.5
117.07010	9.4
119.04927	5.8
119.08575	68.9
120.04481	2.7
120.05482	0.8
120.08905	2.5
123.96465	5.4
129.04471	1.5
129.07008	1.9
130.02925	4.4
130.03809	1.0
130.06520	2.7
131.08607	1.2
132.09320	2.4
145.10103	3.0
147.04395	8.9
147.05537	34.4
147.08031	7.5
147.09143	1.8
147.11681	39.3
148.03932	2.2
148.05852	2.2
148.07582	1.1
148.12032	2.9
160.99715	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03954	1.0
55.01856	0.5
55.05511	5.9
57.76614	0.5
65.03941	3.5
67.05518	1.2
69.07067	1.9
70.06825	2.5
79.05489	5.2
79.68508	0.4
81.07063	0.9
81.47519	0.4
84.04498	2.2
84.22424	0.4
91.05482	54.9
92.05851	2.3
93.07056	2.8
95.04983	1.5
103.05473	3.1
104.04990	0.6
104.06270	1.5
105.07033	44.1
106.07350	1.1
107.04977	2.3
107.08585	11.1
109.06503	0.9
115.05452	2.3
116.06242	1.6
117.07024	14.7
119.04946	23.6
119.08581	100.0
120.05321	1.4
120.08887	3.5
128.06190	0.5
129.06979	1.4
130.07770	0.8
131.04939	0.6
131.08588	2.8
132.05722	2.4
132.09334	7.4
145.10118	6.5
147.04417	11.2
147.05545	4.3
147.08051	8.4
147.11688	46.4
148.04823	0.6
148.12036	2.3
148.60535	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	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01874	0.5
55.05516	5.9
65.03939	5.1
67.05502	1.2
69.07058	1.5
71.41033	1.0
71.54594	0.4
79.05498	5.2
81.07061	1.4
84.04513	2.0
85.42667	0.4
91.05481	54.4
92.05003	0.5
92.05793	2.1
93.07039	3.3
95.04968	1.6
103.05450	3.6
104.06265	1.4
105.07032	43.0
106.07322	0.9
107.04953	1.4
107.08595	11.7
108.08911	0.5
109.06512	0.5
113.80976	0.4
115.05437	1.9
116.06270	2.3
117.07018	14.8
118.07249	0.6
118.71076	0.4
119.04945	22.0
119.08580	100.0
120.05295	1.7
120.08108	0.8
120.08891	4.8
128.06192	0.4
129.07022	1.8
130.02960	0.6
130.07817	0.9
131.08559	2.6
132.05722	1.7
132.09349	7.7
145.10126	6.1
146.10547	0.4
147.04405	10.2
147.05544	4.8
147.06929	0.7
147.08051	8.6
147.11682	44.2
148.08490	0.7
148.12039	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.97439	0.5
53.03934	0.9
55.05513	3.6
56.96595	0.6
57.58890	0.5
58.93960	0.6
65.03931	2.9
67.05507	1.4
69.07050	1.1
71.49301	0.6
79.05482	3.6
81.07049	1.7
84.04494	1.9
91.05484	37.0
92.05003	0.8
92.05820	2.5
93.07030	1.7
93.66887	0.5
95.04948	1.1
95.55566	0.5
103.05463	3.1
104.05029	1.0
104.06254	1.0
105.07030	29.7
106.07343	1.1
107.04945	0.8
107.08591	16.2
108.08936	0.8
109.06542	0.9
115.05463	2.0
116.06235	2.3
117.07026	11.4
119.04942	6.8
119.08582	100.0
120.04510	1.2
120.08135	0.9
120.08891	4.8
121.10125	0.8
123.96479	0.8
128.06221	0.6
129.04520	0.5
129.07010	1.8
130.02884	1.7
130.06505	0.8
130.07776	1.2
131.08551	2.3
132.09383	5.5
145.10121	9.8
147.04410	8.0
147.05539	12.3
147.06743	0.9
147.08054	4.0
147.11688	40.9
148.03845	1.3
148.05920	0.6
148.07524	0.7
148.08571	0.8
148.12018	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03938	1.7
55.01860	1.0
55.05511	8.7
56.76572	1.0
60.76028	0.9
65.03935	6.1
67.05485	2.9
69.07059	3.7
71.34169	1.6
79.05493	7.5
81.07043	1.9
84.04491	6.8
84.08147	1.3
91.05480	78.9
92.05009	2.1
92.05820	3.5
93.07020	3.2
93.22959	1.1
95.04958	3.3
103.05470	6.5
104.04999	1.9
104.06224	1.3
105.07027	77.5
106.07359	3.8
107.04928	1.9
107.08590	6.7
111.86269	1.0
115.05457	2.3
116.06249	3.8
117.07027	16.8
119.04945	23.0
119.08575	100.0
120.04458	2.8
120.05300	2.9
120.08903	3.7
123.96455	2.5
129.04488	1.5
129.06981	2.6
130.02895	4.2
130.06529	1.8
130.07770	1.2
131.08572	4.4
132.05688	2.1
132.09360	8.3
145.10110	12.6
146.10567	1.5
147.04391	19.0
147.05539	25.7
147.06569	1.6
147.08034	9.9
147.11682	75.1
148.03896	2.1
148.05893	1.5
148.07547	2.2
148.08623	1.5
148.12050	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03946	1.2
55.05513	10.3
56.96569	6.1
59.05045	0.7
65.03944	1.9
67.05499	6.2
69.07067	3.6
69.30671	7.0
70.58272	0.8
79.05491	8.3
81.07045	4.2
82.35752	0.7
84.04488	1.9
91.05485	43.6
92.05814	1.5
93.07040	5.4
95.04947	1.4
103.05479	4.5
105.07030	100.0
106.07323	3.6
107.08592	3.7
109.10158	1.7
115.05462	1.8
116.06207	1.4
117.07018	13.4
118.07727	0.7
119.04954	4.5
119.08582	93.7
120.08913	4.5
123.96432	1.2
126.05981	1.1
128.06262	1.0
129.07050	2.2
130.02890	1.2
130.07808	0.8
131.08554	1.7
132.09384	4.6
133.21484	0.6
145.10121	7.6
147.04388	5.1
147.05542	9.4
147.08043	4.7
147.11685	58.0
148.03922	1.1
148.05981	0.8
148.12044	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	148.0394
Annotation	Isatin
Peak:m/z	Relative Intensity
51.02379	1.1
53.03946	10.5
55.01874	0.6
56.05029	0.9
56.96568	0.6
62.70219	0.4
63.02401	0.5
65.03938	19.8
70.79974	1.1
77.03933	2.0
78.65930	0.5
81.03424	1.1
84.04503	9.4
84.89960	0.4
85.02892	0.4
86.09716	0.8
90.03428	1.0
91.05463	1.2
92.05003	44.8
93.03409	2.6
93.03945	0.5
93.05338	1.2
93.07035	1.2
95.04967	22.4
96.05300	0.5
102.05551	2.0
103.05476	1.0
104.05014	0.8
105.04519	4.9
105.07046	0.5
108.06861	0.6
110.06039	0.5
111.04429	2.3
118.64046	0.4
120.04462	67.2
120.08086	0.9
121.02866	13.7
121.03963	2.6
121.04803	2.2
121.06507	0.9
121.07603	0.8
128.90485	0.4
130.02890	8.0
130.03973	1.9
130.04935	0.9
130.06540	0.5
131.03230	0.5
144.00444	0.4
146.02370	5.8
148.03928	100.0
149.02341	22.4
149.04198	4.2
165.38991	0.4
167.03473	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	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.01601	1.3
51.02373	2.9
53.03949	22.4
55.01869	7.1
55.05500	5.5
56.96568	1.3
59.27731	1.0
65.03941	47.1
65.11687	1.0
66.04280	1.1
67.05508	10.4
69.07071	6.5
77.03913	3.9
79.05492	26.5
81.03440	4.7
81.06602	1.9
81.07056	25.1
87.37446	0.9
88.70784	1.1
90.53251	1.0
91.05482	77.0
92.05801	3.3
93.03410	12.4
93.07043	87.2
94.07367	2.9
95.04968	46.6
95.05583	1.9
95.08611	5.3
98.03664	1.5
102.04688	2.5
103.05468	100.0
104.05803	4.5
105.04516	11.9
105.07011	6.5
107.04952	16.7
107.08595	21.0
109.06573	1.1
111.04456	10.9
112.81926	1.2
116.06194	1.4
119.04919	1.9
119.08582	1.2
120.05718	2.7
121.02190	1.1
121.02866	50.0
121.03973	9.5
121.06504	77.9
121.10143	9.2
122.03197	1.9
122.06887	3.9
131.04921	6.7
131.06035	3.6
146.35506	1.0
147.04387	2.0
149.02344	88.3
149.05975	53.6
149.09592	9.3
149.13254	14.4
150.02652	4.6
150.06326	2.8
163.03929	1.0
165.05495	3.3
167.03407	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	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02374	2.8
53.03944	19.0
55.01864	7.4
55.05507	4.8
57.07073	2.0
59.15432	0.9
65.03939	49.9
66.04260	1.4
66.04739	0.9
67.05497	4.1
68.99781	1.1
69.03416	1.4
69.07063	4.8
69.24958	0.9
71.01340	1.2
71.49316	1.0
77.03917	3.6
78.04700	1.3
79.05492	25.1
81.03407	3.4
81.07068	7.2
83.05012	1.0
91.05477	87.0
91.15569	1.0
92.05796	2.7
93.03405	12.1
93.07040	92.8
94.07360	1.4
95.04962	43.7
95.08573	1.7
98.03667	2.6
99.27457	0.8
102.04708	1.4
103.05463	90.1
104.05791	3.2
105.03409	1.2
105.04515	9.6
105.07028	30.0
106.04158	1.4
106.07832	2.4
107.04939	5.3
107.08591	30.2
108.30926	0.9
109.06506	2.4
111.04446	9.7
116.06229	2.2
119.04912	1.2
119.08581	7.1
121.02862	58.1
121.03962	13.9
121.06499	73.9
121.10139	52.5
122.03149	1.8
122.06086	1.1
122.06940	4.0
122.10504	1.0
123.08073	5.1
131.04922	9.2
131.06004	2.4
131.08585	4.2
133.07607	1.3
133.10127	2.2
134.10904	1.2
137.76962	0.8
147.04465	1.2
149.02339	100.0
149.05974	46.7
149.09610	45.7
149.13261	11.3
150.02693	3.2
150.05371	1.5
150.06429	1.6
150.10117	1.8
165.05501	1.3
167.03351	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02373	1.3
53.03947	21.9
55.01880	7.8
55.05508	2.1
65.03939	29.6
67.05499	2.1
68.58472	1.0
69.07059	2.8
69.68253	3.3
69.68653	2.3
71.01353	1.4
76.38500	1.0
77.03916	3.8
78.04716	2.2
78.37338	0.9
79.05493	14.2
81.03401	3.6
81.07056	6.7
91.05479	78.2
92.05804	2.3
92.46642	1.1
93.03419	6.5
93.07045	75.4
94.07366	2.2
94.52438	1.0
95.04965	46.1
102.04688	2.2
103.05467	100.0
104.05804	2.4
105.04500	8.8
105.07021	11.5
106.04164	3.4
107.04958	4.7
107.07346	1.0
107.08588	13.9
109.06523	1.9
111.04443	4.9
112.33797	1.0
116.06229	1.8
119.08554	2.5
121.02866	34.8
121.03973	6.8
121.06503	82.3
121.10134	19.5
122.06960	4.0
122.09691	1.5
123.08050	2.2
131.04924	11.1
131.05928	2.0
131.08585	2.1
133.10162	2.0
139.02507	1.1
144.51186	1.4
149.02344	59.2
149.05975	56.2
149.08498	1.2
149.09604	10.9
149.13277	5.0
150.02837	3.1
150.06403	2.4
150.09138	3.5
150.10254	1.3
165.05472	2.2
167.03445	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	149.0962
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
51.51404	0.9
53.03940	4.0
55.01877	7.2
55.05499	1.9
65.03944	49.3
67.05514	0.9
69.03414	0.8
69.07049	1.6
69.07759	0.9
69.48705	8.1
71.01381	1.0
73.57266	0.8
77.03913	0.9
79.05501	18.7
81.07054	2.8
91.05486	15.3
93.03413	13.2
93.07053	13.7
95.04982	7.4
96.05272	0.9
98.03661	2.2
103.05468	18.6
105.03395	3.2
105.04509	1.2
105.07039	30.5
107.08582	4.7
111.04453	10.3
111.20229	1.0
115.05466	5.1
116.06229	3.6
117.07016	1.2
119.04952	4.0
119.08582	1.1
121.02870	53.4
121.03979	15.3
121.06498	9.2
121.10165	4.8
122.04377	1.0
131.02438	1.4
131.04935	2.8
131.08527	1.9
133.06496	78.4
134.07358	7.2
137.06000	2.1
147.08067	10.9
149.02348	100.0
149.05984	7.6
149.09619	80.7
149.13216	1.7
150.02667	5.7
150.09982	4.6
167.03419	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	149.0961
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
50.67750	1.1
52.23118	1.1
53.03948	6.8
55.01848	2.5
55.05508	1.4
65.03944	7.0
68.64436	1.2
69.03430	6.2
69.62931	4.3
69.63331	3.5
79.05081	1.8
79.05497	22.3
81.07050	1.2
91.05481	70.3
92.05814	1.2
93.03399	1.5
93.07043	35.4
95.04974	10.8
97.21140	1.3
101.15130	1.3
103.05467	18.1
105.04591	1.2
105.07034	47.1
106.07801	4.7
107.08582	1.9
109.06521	6.1
115.05451	7.3
116.06247	30.5
119.08576	8.1
121.02870	6.9
121.04018	1.8
121.05685	2.2
121.06507	27.0
121.10147	36.3
123.08125	6.5
128.06258	1.9
129.07019	7.5
131.04877	1.4
131.08557	30.1
133.06622	1.3
133.07629	4.0
134.07254	4.5
147.08052	5.6
149.02354	14.6
149.06044	6.6
149.09615	100.0
150.09962	3.3
156.96111	1.2
168.04208	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.28064	0.8
52.23962	0.8
53.03936	3.5
54.06181	0.7
55.01863	2.3
55.05511	6.3
56.96519	0.8
65.03940	54.0
66.04271	1.7
67.05504	19.9
67.93553	0.8
69.07071	10.6
69.67956	3.8
79.05492	32.8
80.05819	1.3
81.03433	1.0
81.07054	50.2
82.07367	1.5
83.08614	2.7
91.05476	20.7
93.03408	13.1
93.07041	52.8
94.07397	1.0
95.04966	7.5
95.08603	8.6
97.53724	0.9
98.03653	2.3
98.21566	1.0
103.05465	7.7
104.05787	1.2
105.04514	1.5
105.07022	6.6
107.04958	2.8
107.08593	40.0
109.06512	2.3
111.03762	0.8
111.04445	11.0
111.50652	0.9
116.06236	0.9
119.08583	1.2
121.02860	56.8
121.03965	13.0
121.06516	7.5
121.10147	12.8
122.03204	3.1
122.04137	0.9
122.10474	1.0
123.08023	0.8
131.04945	1.6
131.08557	0.9
148.49252	0.9
149.02336	100.0
149.05983	5.1
149.08414	1.5
149.09602	6.7
149.13254	20.2
150.02641	5.3
150.03676	0.8
150.09059	0.8
150.13597	1.3
167.03427	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03944	4.2
53.32362	0.5
55.01869	2.5
55.05515	7.4
56.96556	1.9
61.55572	0.5
65.03940	50.3
66.04254	1.6
67.05505	5.0
67.93559	0.6
69.03426	0.6
69.07066	8.8
70.84865	1.0
70.85229	0.8
75.27354	0.6
77.03912	0.9
77.55313	0.6
78.04709	0.6
79.05491	25.0
80.05826	0.7
81.03423	0.8
81.04556	0.7
81.06609	1.2
81.07058	14.3
81.17889	0.5
82.07345	0.6
83.08610	0.9
86.02509	0.6
91.05480	23.5
93.03400	13.4
93.07043	52.2
94.07394	1.9
95.04966	10.6
95.08578	2.8
98.03661	3.1
102.03368	0.8
103.05463	11.9
104.05833	0.8
105.03381	0.9
105.04523	2.6
105.07028	7.3
107.04962	2.1
107.08591	31.3
108.08928	1.9
109.06495	1.8
111.03752	0.9
111.04446	12.2
119.08572	0.9
121.02866	57.1
121.03970	13.5
121.06485	10.3
121.10138	11.5
122.03193	3.1
122.04309	0.7
122.07109	0.9
131.04918	2.2
131.08560	1.7
147.11539	0.6
149.02341	100.0
149.05962	8.4
149.08360	1.0
149.09618	6.4
149.13260	11.7
150.02702	7.0
150.03760	1.1
150.05490	0.9
150.13609	0.9
167.03403	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02358	0.9
53.03951	4.3
55.01862	3.0
55.05511	6.9
56.96561	2.2
65.03944	54.9
66.04291	1.6
67.05506	4.4
67.73064	0.6
68.99778	0.8
69.07072	7.2
70.84519	1.3
70.84856	0.8
72.87727	0.7
77.03927	1.0
79.05498	23.0
80.05842	0.8
81.03422	0.8
81.06602	1.1
81.07059	14.6
83.08578	0.7
91.05490	24.1
92.05827	1.6
93.03403	13.6
93.07050	50.4
94.03738	1.1
94.07372	1.6
95.04978	8.6
95.08608	3.0
95.09939	0.8
98.03683	3.5
101.17178	0.7
103.04829	1.0
103.05478	11.5
105.04527	1.6
105.07032	6.9
107.04966	2.2
107.08601	29.8
109.06521	1.9
111.04464	13.3
119.06043	0.7
119.08575	1.2
121.02872	57.3
121.03979	14.2
121.06508	11.3
121.10156	12.7
122.03205	3.2
122.04340	0.6
122.07119	1.6
123.08005	1.0
131.04939	2.0
131.06931	0.8
131.08595	1.5
149.02350	100.0
149.05971	6.8
149.08360	1.1
149.09624	6.4
149.13274	10.1
150.02673	6.0
150.06619	0.7
165.89067	0.7
167.03392	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	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
50.04809	1.0
50.76100	1.0
51.02372	1.4
53.03945	8.9
55.01868	5.4
55.05508	6.7
55.99662	1.0
56.96559	1.8
57.07076	2.9
65.03941	54.7
66.04262	1.6
67.05489	3.7
68.04993	1.2
69.03427	1.8
69.07076	8.9
71.04874	2.4
76.60767	1.1
77.03892	2.2
79.05494	22.2
81.03449	1.2
81.07067	6.2
91.05480	52.2
92.05807	1.2
93.03410	14.7
93.07040	57.9
94.07395	2.4
95.04964	21.9
95.08595	1.9
98.03696	2.9
103.05466	42.3
104.05788	2.2
105.03419	1.3
105.04510	3.2
105.07034	41.6
107.04960	3.8
107.06019	1.2
107.08592	49.0
109.06499	4.9
109.07686	1.5
110.08460	1.6
111.04446	11.1
116.06236	2.1
119.08575	11.3
120.09362	1.1
121.02864	56.2
121.03969	13.0
121.06512	33.6
121.10141	93.7
122.03225	2.1
122.07023	2.6
122.10452	3.4
123.08044	7.8
129.07047	1.3
131.04927	6.1
131.08556	4.0
132.05333	1.1
133.07639	2.9
133.10153	3.4
134.10893	2.4
149.02342	100.0
149.05980	19.4
149.08379	1.5
149.09602	20.1
149.13263	15.6
150.02702	5.9
150.10165	3.4
165.05496	1.3
167.03407	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
50.36583	1.1
53.03947	9.8
55.01866	4.9
55.05515	5.9
56.96542	1.1
57.07067	4.6
65.03941	33.1
65.42626	1.1
66.04268	1.2
67.05489	3.6
69.07077	5.6
77.03885	2.0
78.04745	1.0
79.05499	23.8
81.03394	1.2
81.07066	6.8
91.05483	51.8
93.03402	8.5
93.07046	53.9
95.04967	20.8
103.05470	40.7
103.06168	1.8
104.05814	1.8
105.04537	5.0
105.06329	2.1
105.07034	43.2
106.07287	1.6
107.04923	3.0
107.08593	49.2
109.02879	1.2
109.06511	5.0
110.08361	1.4
111.04481	5.9
116.06253	1.7
119.06052	1.6
119.08594	12.4
120.09360	1.3
121.02866	34.7
121.03963	8.2
121.06503	33.5
121.10144	100.0
121.50851	1.2
122.06049	1.2
122.06999	3.3
122.10471	3.5
123.08091	7.7
131.04916	4.6
131.05920	1.5
131.08572	1.9
133.07639	2.1
133.10109	5.0
134.10945	3.1
139.02538	1.7
149.02342	66.7
149.05972	21.5
149.08400	2.0
149.09618	17.6
149.13251	18.9
150.02780	4.2
150.10147	2.3
167.03387	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	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03932	2.3
55.05503	3.6
57.07069	3.3
65.03933	6.0
67.05493	1.4
69.07071	4.8
69.31779	8.0
79.05500	12.5
81.07064	1.6
83.53063	0.8
84.10252	0.8
88.80194	0.8
91.05481	17.2
91.30403	0.8
93.03396	1.9
93.07050	16.2
95.04967	3.0
95.08623	1.3
97.02116	0.8
98.20815	1.5
103.05469	2.9
105.07038	36.5
106.07311	1.1
107.08598	45.0
108.08954	1.1
109.06509	2.9
111.04439	1.1
119.08592	12.4
120.09387	1.1
121.02855	5.6
121.03987	1.4
121.06490	1.8
121.10148	100.0
122.10472	4.4
123.08064	6.2
133.07626	3.6
133.10115	2.8
134.10913	2.8
149.02359	13.1
149.06010	0.9
149.09616	5.2
149.13255	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	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03939	2.5
55.05504	4.0
57.07071	3.2
65.03934	6.4
66.92587	0.7
67.05486	2.1
69.07068	5.7
69.56306	3.1
69.56718	1.2
74.57195	0.7
79.05494	14.9
81.07056	1.7
83.52052	0.7
91.05479	16.7
93.03394	1.2
93.07042	18.1
94.07291	0.7
95.04980	4.2
95.08602	0.8
103.05460	4.0
105.04469	0.6
105.07034	37.7
106.07269	1.1
106.07883	1.2
107.08591	40.0
108.08860	1.2
109.06500	4.3
113.19289	0.6
119.06039	1.0
119.08582	11.4
120.09364	2.0
121.02859	4.6
121.04031	1.5
121.06513	2.3
121.10143	100.0
122.10466	3.7
123.08070	6.8
131.08583	1.4
133.07602	2.6
133.10120	3.2
134.10922	3.8
149.02333	10.1
149.06078	0.8
149.09601	6.3
149.13255	12.7
150.13541	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.00306	0.7
53.03947	3.4
55.01855	3.3
55.05510	4.7
56.96553	2.2
61.50363	0.8
65.03939	52.6
66.04266	1.7
67.05503	10.8
68.45692	0.7
69.07072	7.7
71.49815	1.5
73.37920	0.7
79.05492	22.8
81.03403	0.8
81.07055	30.9
82.07415	0.8
83.04990	0.7
83.08607	1.3
91.05473	19.3
92.05797	1.1
93.03403	12.3
93.07041	37.6
94.07346	1.5
95.04954	7.2
95.08601	5.6
98.03664	3.2
103.05474	11.1
105.03374	2.2
105.04502	1.8
105.07030	7.3
107.04922	2.1
107.07458	1.0
107.08587	23.6
109.06503	1.4
111.03745	1.1
111.04444	12.0
112.24776	0.8
119.08595	0.9
121.02862	59.5
121.03966	13.5
121.06493	8.8
121.10139	9.4
122.03194	3.1
122.06979	1.1
123.08090	1.0
131.04927	3.5
131.08566	2.1
149.02338	100.0
149.05928	6.2
149.09602	8.4
149.13234	12.6
150.02670	6.8
150.03691	1.2
150.05447	0.9
167.03391	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	151.039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	0.3
51.02380	1.9
53.00318	0.2
53.03948	10.9
55.01860	1.6
65.03942	2.9
65.04261	0.4
67.05505	20.4
68.05842	0.5
69.45248	2.3
75.23387	0.2
77.03922	4.0
79.05495	10.7
81.03425	1.8
81.07033	0.4
83.04969	0.7
90.51901	0.3
91.05489	0.6
93.07035	0.4
95.04967	100.0
96.05305	2.6
105.03400	6.4
105.04503	4.9
105.06983	0.4
106.04837	0.3
107.04956	2.0
121.02883	0.8
123.04433	12.2
123.08066	0.3
124.04778	0.5
133.02863	0.8
133.03989	1.0
149.02344	0.4
151.03903	64.0
151.11266	0.4
152.04253	2.6
167.03358	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	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01597	0.6
51.02376	1.8
52.19743	0.3
53.00316	0.6
53.03947	10.1
55.01872	1.1
61.23817	0.3
65.03938	3.4
67.05504	19.5
68.05837	0.3
70.31586	0.3
70.50264	1.0
77.03923	4.6
78.04691	0.4
79.05491	58.5
80.05820	1.5
81.03409	1.5
81.07018	0.3
83.04969	0.6
95.04964	52.6
96.05312	1.0
98.21542	0.3
105.03392	16.4
105.04476	5.0
107.04952	5.0
110.07244	0.3
115.74513	0.3
123.04429	9.2
133.02838	2.8
133.03783	0.6
140.29391	0.4
140.68097	0.3
151.03899	100.0
152.04227	4.0
167.03424	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	151.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.5
51.02376	1.3
53.00304	0.8
53.03949	9.8
55.01864	1.2
64.79754	0.3
65.03934	3.6
65.33364	0.4
67.05505	21.7
70.46635	1.3
70.46989	0.4
77.03942	3.9
77.75861	0.4
79.05489	5.3
81.03413	1.4
95.04967	60.5
96.05293	1.5
96.49335	0.4
105.02747	0.6
105.03396	9.1
105.04490	3.6
105.07027	0.4
107.04957	5.5
113.67633	0.3
121.02883	0.4
123.04428	8.9
133.02870	2.0
133.03702	0.4
151.03902	100.0
152.04257	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	151.0389
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01592	0.5
51.02380	1.4
53.00303	0.3
53.03951	10.7
55.01870	1.2
65.03945	3.5
67.05508	19.1
69.28172	2.7
77.03936	4.1
79.05495	11.5
81.03407	1.9
95.04971	100.0
96.05296	2.7
103.05489	0.3
105.03407	6.8
105.04507	5.5
107.04971	1.8
111.40453	0.3
120.95974	0.4
121.02856	0.7
122.73869	0.3
123.04436	12.6
124.04795	0.5
131.81300	0.3
133.02861	1.1
133.03830	0.7
149.02322	0.4
151.03908	62.8
152.04253	2.4
167.03435	0.7
167.93559	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	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02373	2.2
53.00327	0.4
53.03949	10.8
55.01876	2.3
55.05516	0.9
56.96557	0.9
57.07064	0.7
65.03939	5.2
67.05506	33.0
68.05045	0.6
68.05834	1.1
69.03429	1.1
69.07072	0.8
69.65223	2.1
77.03918	4.5
78.53152	0.3
79.05025	0.7
79.05494	12.8
81.03397	2.2
81.07057	7.5
81.51956	0.4
83.04973	3.0
83.06087	0.5
91.05470	2.4
93.07051	3.3
95.04968	100.0
95.08599	4.9
96.05291	2.6
103.05482	0.6
105.03402	9.4
105.04495	6.3
105.07022	4.2
106.07395	0.4
107.04964	4.6
107.08566	1.7
109.02876	0.6
109.06525	3.5
109.10164	2.6
110.07182	1.3
111.07954	2.7
119.04925	0.5
119.08670	0.3
121.02875	0.5
121.06486	0.7
123.04430	19.8
123.08071	3.2
123.10021	0.4
123.11723	1.7
124.04738	0.7
124.07629	0.8
124.08595	0.5
133.02869	1.8
133.03941	0.8
133.06487	1.2
133.10141	1.3
134.07101	0.5
136.08795	0.4
137.02950	0.4
151.03906	93.0
151.07523	5.4
151.09816	1.0
151.11169	9.7
151.12379	0.5
152.01653	0.7
152.04260	3.8
152.07021	0.5
152.11609	0.4
167.03424	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	151.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.0
51.02390	1.4
53.00289	1.0
53.03948	11.9
55.01873	1.8
55.05511	77.3
55.54235	0.6
56.05845	1.2
56.21498	0.6
56.96561	3.5
57.03440	1.0
57.07073	3.9
59.04995	2.0
65.03943	5.7
65.81185	0.5
67.05505	44.2
68.05029	1.7
68.05832	0.9
69.03413	2.9
69.07059	3.7
69.30167	1.9
69.30590	3.6
69.89041	0.5
70.06583	0.9
71.05003	0.7
71.08607	1.2
71.61142	0.5
73.02911	0.5
77.03928	3.8
79.05022	1.0
79.05492	21.4
81.03416	3.7
81.07057	38.0
83.04982	10.8
83.06089	1.8
85.02909	0.6
85.06522	0.7
86.99895	0.6
91.05481	13.7
93.07042	9.2
95.00778	0.7
95.01316	0.6
95.04969	100.0
95.08001	1.2
95.08606	22.3
96.05307	2.5
96.08134	1.1
96.08956	0.7
97.06529	12.2
98.59801	0.6
98.77893	0.6
98.97596	1.3
103.05457	1.3
105.03391	7.2
105.04497	5.9
105.07028	13.9
106.06588	0.6
106.07348	1.1
107.04977	4.8
107.08589	12.8
108.05711	1.4
108.09452	0.6
108.25809	0.7
109.02924	0.6
109.06520	13.8
109.07242	0.7
109.07661	2.1
109.10158	23.4
110.01270	1.4
110.06043	0.6
110.07225	4.3
110.10493	1.0
110.97531	0.6
111.07961	7.0
111.09233	0.8
116.98621	0.8
119.04950	2.8
121.06514	1.4
121.10158	2.3
122.07225	0.9
123.04433	14.8
123.08056	7.0
123.10847	1.0
123.11710	13.5
124.07645	0.9
124.08706	1.6
127.03886	0.6
128.98628	0.8
131.08505	0.7
133.02811	1.7
133.03856	0.7
133.06448	3.8
133.10155	3.8
134.99759	0.7
136.08801	0.8
151.03906	73.7
151.07553	16.0
151.09839	4.4
151.11179	23.5
151.14796	1.7
152.01654	4.2
152.04228	3.9
152.05678	2.4
152.06905	0.9
152.08099	1.3
152.11763	1.2
153.04018	0.9
167.03360	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	151.1117
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
50.01600	1.0
51.02390	1.4
53.00289	1.0
53.03948	11.9
55.01873	1.8
55.05511	77.3
55.54235	0.6
56.05845	1.2
56.21498	0.6
56.96561	3.5
57.03440	1.0
57.07073	3.9
59.04995	2.0
65.03943	5.7
65.81185	0.5
67.05505	44.2
68.05029	1.7
68.05832	0.9
69.03413	2.9
69.07059	3.7
69.30167	1.9
69.30590	3.6
69.89041	0.5
70.06583	0.9
71.05003	0.7
71.08607	1.2
71.61142	0.5
73.02911	0.5
77.03928	3.8
79.05022	1.0
79.05492	21.4
81.03416	3.7
81.07057	38.0
83.04982	10.8
83.06089	1.8
85.02909	0.6
85.06522	0.7
86.99895	0.6
91.05481	13.7
93.07042	9.2
95.00778	0.7
95.01316	0.6
95.04969	100.0
95.08001	1.2
95.08606	22.3
96.05307	2.5
96.08134	1.1
96.08956	0.7
97.06529	12.2
98.59801	0.6
98.77893	0.6
98.97596	1.3
103.05457	1.3
105.03391	7.2
105.04497	5.9
105.07028	13.9
106.06588	0.6
106.07348	1.1
107.04977	4.8
107.08589	12.8
108.05711	1.4
108.09452	0.6
108.25809	0.7
109.02924	0.6
109.06520	13.8
109.07242	0.7
109.07661	2.1
109.10158	23.4
110.01270	1.4
110.06043	0.6
110.07225	4.3
110.10493	1.0
110.97531	0.6
111.07961	7.0
111.09233	0.8
116.98621	0.8
119.04950	2.8
121.06514	1.4
121.10158	2.3
122.07225	0.9
123.04433	14.8
123.08056	7.0
123.10847	1.0
123.11710	13.5
124.07645	0.9
124.08706	1.6
127.03886	0.6
128.98628	0.8
131.08505	0.7
133.02811	1.7
133.03856	0.7
133.06448	3.8
133.10155	3.8
134.99759	0.7
136.08801	0.8
151.03906	73.7
151.07553	16.0
151.09839	4.4
151.11179	23.5
151.14796	1.7
152.01654	4.2
152.04228	3.9
152.05678	2.4
152.06905	0.9
152.08099	1.3
152.11763	1.2
153.04018	0.9
167.03360	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	151.1118
Annotation	4-tert-Butylphenol
Peak:m/z	Relative Intensity
51.02391	0.4
53.03949	2.2
55.01854	0.9
55.05516	1.5
56.96556	4.0
57.03435	1.4
57.07072	4.3
61.02911	0.5
65.03927	1.0
66.04703	0.6
66.30741	0.3
67.05500	9.1
68.95281	1.3
69.03422	1.0
69.07056	0.8
70.40896	1.0
70.41250	0.3
71.04987	0.3
73.02899	0.9
74.97610	0.3
77.03926	0.4
79.05078	0.4
79.05491	4.2
81.03416	15.2
81.06611	0.4
81.07052	5.4
81.07503	0.2
82.03773	0.4
83.00811	0.4
83.04978	1.8
83.08602	0.3
85.02900	0.8
88.51544	0.2
89.00755	0.3
90.01527	0.5
91.05469	2.4
92.01295	0.6
93.07037	1.9
94.04178	8.3
95.04964	31.7
95.08598	4.4
96.01553	0.5
96.05295	0.8
97.02876	0.5
98.01317	0.4
98.97601	1.8
103.05476	0.3
104.01283	0.6
105.03379	1.2
105.04499	1.1
105.07032	4.3
105.15403	0.3
107.01816	0.7
107.04961	0.7
107.08600	1.8
107.47627	0.6
107.52397	0.3
109.06502	2.3
109.10154	2.2
110.01279	1.1
110.06048	0.3
110.07109	0.3
110.97593	0.4
113.01770	0.4
116.48132	1.3
116.98605	1.3
119.01813	2.9
121.06408	0.3
123.04407	2.2
123.08049	1.8
123.11701	0.9
125.48637	0.4
128.02309	2.5
128.98584	0.6
130.52631	0.6
133.06514	0.8
133.10112	1.4
134.99672	0.6
137.02788	0.7
139.53072	0.4
146.99654	1.2
151.02852	0.7
151.03911	10.5
151.07631	3.5
151.11168	100.0
152.01608	1.4
152.04303	0.6
152.07062	0.9
152.11519	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	151.1117
Annotation	4-tert-Butylphenol
Peak:m/z	Relative Intensity
51.02355	0.3
52.60101	0.2
53.03944	2.2
55.01857	1.0
55.05499	0.8
56.96563	2.3
57.03433	0.5
57.07073	4.3
59.57505	0.3
61.02911	0.4
65.03938	1.5
66.04710	0.5
67.05499	9.3
68.05827	0.4
68.95278	1.5
69.03422	0.6
69.07053	0.9
73.02908	0.3
73.39992	0.3
77.03912	0.4
79.05078	0.4
79.05490	4.3
81.02938	0.6
81.03414	12.2
81.07050	4.4
83.04978	1.6
88.25793	0.3
91.05479	1.8
93.07050	1.7
94.04176	8.9
95.04963	33.4
95.08604	3.7
96.05276	0.8
98.97585	0.7
103.02528	0.3
105.03371	1.1
105.04498	0.7
105.07030	3.7
107.04952	0.8
107.08572	0.9
109.06500	2.2
109.10148	1.7
110.01285	0.8
116.03076	0.4
116.48134	1.3
116.98578	0.4
119.01777	1.2
121.06486	0.3
123.04417	2.3
123.05190	0.3
123.08057	1.8
123.11706	0.5
125.48672	0.4
128.02293	1.2
133.06505	0.7
133.10092	0.8
134.99606	0.5
135.04266	0.3
139.53177	0.3
146.99689	0.6
151.02834	1.1
151.03902	12.2
151.07649	3.2
151.11169	100.0
152.01683	1.9
152.04274	0.4
152.07014	0.6
152.11514	4.2
167.03438	0.3
169.04750	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03946	7.7
55.01871	5.5
55.05513	8.5
56.96306	1.0
56.96565	9.9
57.03433	5.3
57.07074	13.9
59.05004	1.1
61.02615	0.7
61.02920	1.0
65.03944	4.6
67.05504	51.2
68.05823	0.9
68.95275	3.1
69.03432	8.3
69.07063	5.1
70.08331	3.6
70.08628	0.8
71.04980	2.6
73.02923	3.5
73.06103	0.7
77.00803	0.9
77.03923	2.2
79.05493	31.1
80.05817	1.2
81.02940	1.8
81.03417	33.8
81.07055	38.9
82.03752	1.1
82.07385	1.1
83.04980	15.1
85.02898	1.7
85.06544	5.0
89.00789	0.8
90.01533	1.3
91.05480	36.3
92.05824	0.8
93.07046	23.0
94.07368	1.3
95.04966	100.0
95.08612	17.2
96.01551	1.3
96.05289	2.9
97.02872	1.4
97.06546	0.8
98.01311	1.4
98.97572	3.9
105.03423	4.6
105.04526	3.8
105.07030	51.0
106.07370	1.7
107.04961	2.4
107.08591	46.8
108.08911	1.4
109.02839	1.2
109.06519	16.4
109.10156	20.8
110.01276	5.4
110.06059	0.7
110.07195	0.9
110.10462	1.0
115.05405	0.8
115.52105	1.2
116.48176	1.0
116.98631	3.1
118.41929	0.7
119.01798	6.6
119.52005	0.9
121.02961	0.9
121.06536	1.6
123.04429	10.6
123.08054	11.8
123.11686	5.3
124.07537	1.3
125.48687	0.9
128.02318	7.1
128.98627	2.5
130.52573	1.7
131.08565	2.2
133.02855	1.7
133.06447	3.7
133.10126	38.5
134.10480	2.4
134.99634	3.5
137.02818	2.8
139.53093	1.2
146.99640	4.6
151.02930	1.6
151.03906	43.6
151.07570	12.4
151.11177	86.4
152.01666	4.8
152.04274	2.3
152.07072	2.2
152.11543	4.2
165.00732	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	151.1117
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.02368	1.9
53.03945	11.1
55.01878	7.1
55.05511	12.0
56.96564	9.3
57.03439	8.4
57.07069	2.8
57.29253	1.2
62.88634	1.2
65.03943	7.1
65.45040	1.2
67.05505	81.9
68.95279	2.7
69.03436	14.6
69.07075	7.1
71.04987	4.6
71.20425	1.8
71.20752	2.1
73.02890	1.7
74.97646	1.3
77.03915	3.1
79.05496	56.7
79.51050	1.2
81.03414	5.5
81.07059	66.7
83.04984	25.7
85.06530	2.9
89.00741	1.6
91.05480	59.0
92.04982	1.2
92.05804	1.7
93.07043	44.6
95.00747	2.0
95.04968	100.0
95.08609	22.8
96.05242	2.3
97.06510	2.2
98.97573	3.5
103.05450	1.6
104.01243	1.8
105.03382	5.2
105.04491	3.4
105.07028	85.3
106.07371	3.8
107.04934	4.2
107.08594	92.9
108.08916	3.6
109.06525	24.8
109.10163	43.7
110.01289	4.3
110.10496	1.7
110.51502	1.4
116.48138	3.6
116.98569	3.0
119.01788	4.4
119.06086	1.8
121.06495	1.7
123.04449	10.8
123.08062	14.8
123.11704	11.9
128.02312	6.1
130.52571	1.4
131.08580	4.1
133.06488	2.6
133.10127	75.4
134.10445	4.3
136.08862	1.4
137.02834	2.5
139.65921	1.3
146.99651	2.0
151.02890	2.8
151.03915	50.3
151.07552	13.1
151.11179	97.5
152.01614	7.0
152.04243	2.3
152.05742	1.1
152.06999	2.2
152.11526	5.2
159.20045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03936	1.4
54.40844	0.4
55.01859	0.8
55.05496	1.1
56.96545	0.4
57.03420	0.5
57.07066	1.1
59.04987	1.1
61.77010	0.4
62.72717	0.4
65.03911	1.1
67.05500	6.8
69.03414	1.4
69.07055	1.4
69.94958	1.3
69.95364	0.8
77.03885	0.7
79.05489	3.4
79.33264	0.4
81.03408	0.5
81.07053	11.3
82.07399	0.5
83.04967	0.8
91.05479	4.1
93.07041	3.8
95.04973	7.2
95.08599	3.0
96.05693	0.4
96.08127	0.8
97.06517	1.2
105.07027	7.6
107.04939	1.0
107.08582	5.1
108.05706	0.5
109.06510	10.0
109.10160	8.8
110.07195	0.5
111.07924	0.4
121.10139	2.2
123.04421	1.1
123.08083	3.9
123.11712	2.4
124.07600	4.7
124.08422	0.6
125.67354	0.4
131.08533	0.7
133.10133	4.1
136.08789	1.9
151.03899	3.9
151.07523	1.9
151.11169	100.0
152.07036	1.4
152.11510	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.01613	0.3
53.03938	1.0
55.01868	1.0
55.05510	1.8
57.03433	0.7
57.07071	1.0
57.45462	0.3
59.04997	0.9
65.03931	0.6
65.94880	0.3
67.05506	8.0
69.03422	1.0
69.07061	1.6
71.07571	0.6
79.05494	3.6
81.03420	0.4
81.07056	11.8
83.04961	1.0
85.08175	0.3
88.51627	0.3
88.56517	0.3
91.05482	4.2
93.06564	0.4
93.07055	3.6
95.04968	7.8
95.08601	3.4
97.06535	1.5
105.03369	0.5
105.07030	8.2
107.04954	0.6
107.08587	4.7
109.06511	11.2
109.10152	7.1
110.10476	0.4
112.44299	0.3
119.06034	0.4
121.06526	0.7
121.10168	2.4
123.04425	1.5
123.08062	4.7
123.11697	3.5
131.08565	0.6
133.10139	3.9
136.08824	2.3
151.03925	2.5
151.11179	100.0
152.11517	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	152.0567
Annotation	Guanine
Peak:m/z	Relative Intensity
54.76860	0.2
55.02991	0.5
55.05494	0.2
56.96562	1.7
57.03417	0.5
61.27541	0.2
68.05019	0.3
69.03434	0.2
69.85117	1.0
70.06573	0.2
78.92686	0.2
79.05504	0.4
80.02483	0.3
82.04072	0.5
85.02885	0.3
91.05491	0.2
94.06581	0.3
96.04462	0.2
97.02900	0.2
97.07630	0.5
98.20898	0.3
98.97575	0.7
100.38239	0.2
106.06440	0.2
107.03555	0.5
107.04909	0.3
108.08125	0.2
109.05115	2.2
109.07616	0.4
110.03523	10.5
110.97568	0.7
111.04476	0.3
116.98618	0.6
119.01840	0.4
124.07600	0.3
125.05946	0.3
128.04564	5.6
128.98581	1.1
130.20782	0.2
134.04597	1.3
134.06061	0.5
134.07059	0.2
135.03018	12.3
135.09250	0.3
136.01396	0.5
136.03325	0.4
137.02904	0.2
138.03040	0.2
146.99631	1.2
152.05669	100.0
153.04070	36.2
153.05899	1.8
154.02525	0.9
154.04385	0.7
155.04472	0.2
165.00768	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	3-Methoxytropolone
Peak:m/z	Relative Intensity
53.03950	1.3
54.04720	0.4
55.01871	1.2
55.05509	2.7
56.05030	0.8
56.96570	0.9
57.03435	0.4
64.03156	0.3
65.03940	4.0
67.02999	0.3
67.05495	2.5
68.05027	1.0
69.03439	1.3
69.04546	0.4
69.07078	1.4
70.06583	1.4
70.94263	1.0
70.95848	0.3
71.05009	0.3
71.15921	0.6
71.94073	0.3
72.04523	0.2
72.08147	0.4
77.03935	0.8
79.05495	12.9
80.05013	0.5
81.03416	1.8
81.04536	0.5
81.07056	3.0
82.03742	0.5
82.04200	7.3
82.06575	1.3
83.04974	1.7
83.06113	0.5
84.04487	0.3
84.08126	0.4
91.05483	2.9
91.69487	0.2
92.02616	1.1
93.03424	1.4
93.07045	4.3
94.06577	0.7
95.01350	0.4
95.04965	8.4
95.06101	0.8
95.08598	0.7
96.08155	1.2
97.02885	0.7
97.06514	2.0
97.07626	0.5
97.08918	2.1
98.09701	1.9
104.00603	0.2
105.03384	0.4
105.04527	0.7
105.07015	1.2
107.04958	4.0
107.08594	7.3
108.05639	0.3
108.08093	0.5
109.02912	0.4
109.06528	2.2
109.07626	1.3
109.10152	0.6
110.03664	12.7
110.07168	0.6
110.07899	0.3
111.04475	4.1
111.08065	2.3
111.09185	0.5
111.96845	0.4
112.08707	1.1
113.05856	1.5
117.07018	0.4
119.06056	0.3
119.37415	0.2
120.02058	0.9
121.02855	0.7
122.09666	0.7
123.04421	1.0
125.05985	5.6
125.09628	0.9
127.21843	0.3
129.56563	0.9
129.97914	0.6
132.04451	0.9
134.57576	1.0
135.04465	1.2
135.05455	0.4
135.06557	0.3
135.08043	4.0
135.11743	0.4
136.07570	1.4
136.08690	0.7
138.03120	100.0
139.03433	2.2
140.10658	0.5
143.58136	3.3
144.08319	0.4
147.05531	8.1
148.05840	0.8
148.97354	0.5
153.05467	65.2
153.08916	2.6
153.11340	2.5
153.12605	0.4
154.05789	2.2
154.08604	0.7
154.09746	0.6
154.13435	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	153.0547
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
53.03946	1.8
55.01873	0.9
55.05508	1.2
56.96569	0.4
57.29359	0.4
65.03938	2.8
65.36818	0.4
65.73402	0.4
67.05503	2.3
68.05022	0.8
69.03429	0.9
69.07066	1.3
70.06606	0.7
70.94257	0.6
74.27361	0.4
77.03925	0.4
79.05498	11.1
80.05830	0.5
81.03419	1.8
81.07060	1.7
82.04201	6.6
83.04978	1.2
84.08171	0.4
91.05477	2.3
92.02619	1.0
93.03416	0.8
93.07040	3.8
95.04974	6.3
95.08626	0.6
97.02890	0.5
97.06525	1.0
101.56174	0.4
105.04609	0.4
105.07033	0.9
107.04955	3.8
107.08591	5.0
109.02880	0.7
109.06530	2.0
109.07665	0.7
109.10166	0.6
110.02911	0.7
110.03669	12.4
111.04458	2.9
111.08095	2.0
111.96882	0.6
112.08744	0.7
113.05895	1.0
120.02102	0.9
121.02848	0.5
123.04427	0.8
125.06000	4.7
125.09615	0.7
135.04411	1.1
135.08044	2.1
135.11621	0.4
136.07579	2.0
136.08481	0.3
137.07169	0.4
138.03125	100.0
139.03453	3.0
143.58134	0.6
147.05504	1.5
153.05473	77.5
153.08932	1.8
153.11314	1.7
153.12550	0.7
154.05820	2.5
154.08565	0.5
154.09720	0.5
155.95160	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	153.0547
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.2
53.03949	2.3
55.01870	1.9
55.05514	2.6
56.05030	0.3
56.96555	1.3
57.03422	1.1
58.06595	0.2
59.04988	0.4
65.03940	4.5
66.04717	0.3
67.02988	0.4
67.05507	6.3
68.05011	0.7
68.92821	0.2
68.96299	0.2
68.99777	0.3
69.03426	2.4
69.04553	0.5
69.07072	4.0
69.78616	1.4
70.06591	1.2
70.94257	1.4
70.95874	0.3
71.04977	0.5
71.06118	0.3
71.29674	0.3
71.94073	0.4
71.95261	0.2
72.04477	0.3
72.08150	0.5
77.03925	0.5
79.05494	29.0
80.05823	0.6
81.03421	2.3
81.04530	0.7
81.06602	0.5
81.07055	6.9
81.07536	0.4
82.04193	1.2
82.06549	0.4
83.01353	0.5
83.04259	0.2
83.04974	3.6
83.06104	0.5
83.08601	0.8
84.04491	0.3
84.08150	3.0
84.10024	0.2
85.02922	0.2
85.07652	0.3
85.45335	0.2
88.95319	0.5
91.05486	5.6
93.03405	1.0
93.07047	8.8
94.04173	2.6
94.06551	0.7
94.07365	0.3
95.01344	1.3
95.04966	8.3
95.06083	0.9
95.08612	1.5
97.02892	1.1
97.04008	0.5
97.06538	3.7
97.07625	0.6
98.21542	0.3
99.04393	0.3
105.04527	1.2
105.07032	2.0
107.04227	0.4
107.04957	9.4
107.08594	12.8
108.05631	0.6
108.08131	0.6
108.08882	0.4
109.02853	0.2
109.06519	9.3
109.07673	0.7
109.10142	1.4
110.03654	3.5
110.07206	0.5
111.04438	5.7
111.05592	0.4
111.08077	4.1
111.09235	0.7
111.96867	0.5
112.05190	0.4
112.08737	1.6
113.05872	1.5
115.05482	0.2
117.07015	1.0
119.06049	0.4
121.02847	0.5
121.06506	0.9
123.04404	0.3
123.08036	0.4
124.91085	0.3
125.02365	1.2
125.05994	8.7
125.09660	1.6
125.10426	0.3
126.06551	0.4
126.09207	0.3
126.10205	0.4
126.20576	0.2
129.97887	0.7
135.04417	5.1
135.08055	4.8
135.11688	1.0
136.07576	1.8
136.08707	0.9
138.03119	18.5
139.03484	0.3
147.05580	1.4
148.97346	0.6
153.05467	100.0
153.09041	6.0
153.11348	3.9
153.12703	1.4
154.05829	3.1
154.08623	1.4
154.09731	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	153.0546
Annotation	5-Hydroxy-2-methoxy benzaldehyde
Peak:m/z	Relative Intensity
53.03954	1.7
54.04726	0.5
55.01873	0.9
55.05503	1.2
57.06797	0.3
59.86920	0.3
61.35074	0.3
61.80383	0.2
65.03944	7.4
67.05502	2.2
68.05058	0.3
68.99773	0.4
69.03430	1.6
69.07072	1.5
70.06593	0.5
70.94251	0.4
71.04996	0.3
71.19280	0.5
71.19614	0.3
71.94115	0.4
72.08171	0.3
77.03923	0.5
79.05495	12.8
79.75925	0.2
80.05820	0.3
80.57109	0.3
81.01484	0.3
81.03413	1.2
81.07066	1.2
82.04194	5.2
83.04967	1.5
86.13239	0.3
91.05491	1.4
92.02637	0.7
93.03408	1.8
93.07058	2.0
95.00890	0.3
95.04969	5.8
95.06061	0.4
95.08602	0.8
97.02893	0.4
97.06492	1.8
97.07626	0.3
105.03407	0.4
105.04503	0.8
105.07015	0.4
107.04961	3.4
107.08591	3.0
109.02852	0.4
109.06512	1.8
109.07602	0.6
109.10165	0.7
110.02905	0.6
110.03661	11.2
111.04469	3.4
111.08069	2.5
112.08727	0.8
120.02100	0.4
121.02866	1.1
121.06519	0.4
123.04375	0.3
125.02370	0.5
125.05994	14.5
125.09609	1.8
126.06365	0.5
135.04404	1.1
135.08078	1.6
135.11670	0.4
136.07564	0.3
136.08664	0.6
138.03120	58.9
139.03452	1.5
153.05467	100.0
153.08948	2.1
153.11353	2.2
153.12619	0.5
154.05780	2.9
154.08609	0.3
154.09795	0.5
165.12657	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	153.0911
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
50.24968	0.4
51.63343	0.5
53.03947	2.2
55.01873	3.5
55.05515	9.5
56.05040	0.6
56.96569	1.6
57.03436	1.8
57.07093	0.7
59.05002	1.1
62.21638	0.5
65.03944	12.0
66.04294	0.5
67.05504	6.2
68.05033	0.8
68.92184	0.5
68.99789	0.5
69.03432	17.8
69.04546	1.0
69.07069	4.7
69.73456	0.5
70.06582	1.6
70.07420	0.5
70.94264	3.3
70.95877	0.8
71.01379	0.8
71.04993	2.0
71.22754	0.8
71.94100	2.7
71.95263	0.8
72.08173	1.0
79.05496	31.3
80.05830	1.1
81.03434	0.8
81.07056	11.7
82.04224	0.6
82.07378	0.5
83.01352	1.0
83.04987	14.7
83.06104	0.7
83.08626	2.7
84.08134	0.5
85.02909	1.1
85.06548	0.6
88.95316	0.8
91.05481	27.5
92.05801	1.1
92.06300	1.0
93.03429	2.9
93.07050	15.5
93.07650	0.7
95.04968	6.4
95.06087	1.3
95.08615	3.3
97.02902	1.2
97.06532	5.8
105.04510	0.9
105.07033	11.3
107.04955	4.4
107.08596	54.1
108.05616	0.6
108.08174	0.8
108.08932	2.0
109.06521	21.9
109.07676	1.2
109.10165	5.3
110.03642	2.8
110.07235	1.1
111.04449	18.4
111.08082	10.7
111.09221	1.2
111.96873	1.5
112.04800	0.6
112.08739	2.8
112.96731	0.9
113.05940	0.8
115.05444	1.9
117.07049	2.2
119.06085	2.6
121.02883	0.9
121.06509	1.6
123.04405	0.8
123.08088	1.5
124.05245	1.1
125.02410	0.9
125.06017	7.3
125.09637	9.3
129.97908	2.0
130.97682	0.7
133.17413	0.5
135.08060	100.0
135.11664	1.8
136.07530	0.6
136.08437	4.4
138.03111	1.9
138.06790	2.8
148.97324	1.0
149.01184	0.6
153.01915	1.1
153.04362	1.0
153.05527	10.6
153.09111	52.3
153.11360	5.7
153.12737	4.1
154.05971	0.7
154.09567	3.1
164.34810	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	153.0909
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
53.00303	0.3
53.03941	0.5
55.01874	1.3
55.05507	2.3
56.96573	0.2
57.03434	0.4
57.07086	0.3
60.45452	0.2
65.03938	3.0
67.05505	2.7
68.99787	0.3
69.03431	2.4
69.07069	1.7
69.32352	1.5
70.94264	0.6
70.95860	0.2
71.01363	0.6
71.05009	0.5
71.94106	0.6
72.08156	0.2
77.03938	0.3
79.05493	16.5
80.05817	0.4
81.07056	2.4
83.01343	1.3
83.04977	2.8
83.08640	0.6
84.81493	0.2
85.02932	0.4
91.05479	16.9
91.26520	0.2
92.05781	0.4
92.06274	0.6
93.03403	0.6
93.07041	3.7
95.04977	2.3
95.06078	0.4
95.08604	0.8
97.02866	0.3
97.06518	1.6
105.07029	7.6
106.04160	0.2
106.07364	0.3
107.04959	1.0
107.08588	26.3
108.08884	1.0
109.06514	5.9
109.10141	1.1
110.03664	0.7
110.07275	0.4
111.04443	2.8
111.08070	2.5
112.08716	0.6
112.96725	0.2
115.05441	1.1
117.07030	1.0
118.97205	0.2
119.06065	1.5
121.02871	0.3
121.06482	0.2
123.04379	0.4
124.05244	0.3
125.05983	1.5
125.09629	3.5
126.10027	0.4
135.08049	100.0
136.08389	4.2
138.03151	0.4
138.06776	3.1
139.07199	0.3
153.01941	0.3
153.05568	2.0
153.09099	34.7
153.11292	0.9
153.12529	1.6
154.09518	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	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.02365	1.2
52.32084	0.8
53.03942	3.2
53.10414	0.7
54.03458	1.4
55.01865	8.1
55.05510	25.6
56.05029	3.1
56.96555	4.8
57.03437	4.8
57.04552	1.2
57.07063	1.2
58.02984	0.7
58.06591	1.7
59.04991	1.7
61.94180	0.7
65.03622	1.4
65.03938	19.8
67.02979	2.6
67.05504	24.6
68.05034	3.6
68.96319	1.9
69.03428	39.6
69.04548	3.3
69.07062	10.9
69.30154	4.1
69.30570	2.5
70.02952	1.5
70.06582	4.8
70.94260	4.0
70.95861	1.0
71.04999	5.8
71.06115	1.2
71.73927	0.7
71.94091	1.5
71.95262	1.0
72.08148	3.1
77.03909	1.7
79.05492	72.5
80.05026	1.7
80.05814	2.0
81.03414	5.6
81.04527	4.5
81.07053	20.2
82.04194	8.5
82.06580	3.2
82.07441	0.9
83.01345	1.3
83.04977	22.9
83.06053	3.8
83.08612	2.5
84.04505	1.5
84.08131	1.7
85.02898	1.0
85.04008	0.7
85.07673	1.0
86.06058	1.1
88.95275	1.6
91.05476	45.2
92.02646	1.1
92.06270	1.1
93.03412	4.6
93.07035	22.8
94.04160	0.9
94.06564	3.1
95.01311	2.4
95.04962	27.1
95.06058	6.1
95.08601	7.3
96.04522	1.3
96.05645	1.2
96.08160	1.2
96.29842	0.7
97.02892	10.5
97.03997	2.0
97.06527	27.5
97.07649	2.7
97.10154	0.8
98.06064	1.8
98.07172	2.2
98.09687	1.0
99.04451	5.2
103.05476	0.8
105.03395	0.9
105.04515	1.1
105.07025	20.3
107.04960	13.8
107.06098	1.8
107.08589	99.8
108.04518	1.5
108.05676	4.1
108.08161	1.5
108.08942	2.7
109.02899	0.8
109.03984	0.9
109.06513	22.6
109.07615	6.6
109.10159	7.7
109.98978	1.0
110.03651	12.8
110.06050	1.2
110.07167	3.1
111.04446	29.5
111.05571	1.7
111.08070	16.8
111.09195	6.0
111.96822	1.8
112.07619	0.9
112.08762	5.3
113.05876	7.7
113.07112	1.3
113.10798	1.1
115.05456	8.6
117.07012	13.2
119.06071	4.7
121.02853	8.7
121.06453	1.3
123.04421	1.4
123.08073	9.2
124.05190	1.1
125.02356	1.6
125.05991	21.8
125.06943	1.0
125.09629	17.6
126.06545	1.7
126.09148	1.7
126.10188	1.2
127.05023	0.9
129.56570	1.9
129.97885	1.7
132.04462	1.0
135.04477	4.2
135.05547	1.0
135.06581	1.7
135.08052	39.0
135.08955	1.5
135.11690	2.0
136.05084	1.0
136.07570	6.6
136.08682	5.3
137.07091	2.2
137.10724	1.8
138.03117	99.4
139.03453	3.6
143.07008	4.9
143.58142	2.1
144.08134	0.8
147.05533	7.3
148.97346	4.0
149.01215	1.0
153.05466	100.0
153.07675	4.0
153.09102	40.2
153.10216	5.6
153.11346	14.2
153.12692	3.5
154.05992	3.7
154.08571	4.1
154.09669	4.2
154.13361	1.3
167.02309	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	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03942	2.6
55.01875	35.2
55.05514	12.1
56.96561	1.0
57.03437	7.5
58.55843	0.6
59.05005	34.4
65.03944	9.9
67.05510	15.1
68.99775	0.9
69.03434	16.1
69.07072	7.9
69.50946	4.0
70.94248	1.0
71.01360	0.8
71.04984	1.6
71.94093	0.8
77.03905	1.2
79.05497	60.4
80.05830	1.5
81.03413	1.9
81.04577	0.8
81.07061	11.3
82.04169	0.7
82.07368	0.8
83.04984	18.3
83.08604	1.4
85.02915	1.5
91.05486	42.5
92.05762	1.5
92.06256	1.6
93.03410	3.5
93.07044	18.1
95.04971	15.4
95.06003	0.9
95.08624	6.2
97.02902	1.4
97.06535	4.7
97.07640	0.6
97.10163	2.1
105.07033	25.5
107.04961	13.2
107.08597	100.0
108.05706	2.2
108.08908	4.0
109.06520	19.0
109.10131	1.1
110.03647	1.9
110.07274	1.3
111.04449	31.5
111.08082	19.1
112.08654	0.7
113.05817	0.6
115.05463	7.1
117.07020	12.2
119.06075	3.6
120.05711	0.8
121.02900	0.8
121.03935	0.8
121.06508	1.4
123.08071	30.6
124.08830	1.4
125.06013	4.2
125.09637	42.9
126.09965	2.0
128.62778	0.6
133.07635	1.8
135.04416	1.5
135.08060	73.0
136.08415	3.4
138.03128	8.7
153.04402	0.8
153.05476	17.4
153.09111	32.2
153.11357	2.8
153.12598	1.0
154.09503	2.0
170.02899	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	153.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	0.7
53.03952	2.8
55.01873	35.6
55.05515	9.6
57.03440	5.8
57.07070	0.5
59.05001	33.1
61.94991	0.7
65.03944	7.9
67.05505	16.0
68.05029	0.7
68.99778	1.8
69.03429	16.1
69.07069	9.4
70.06596	0.6
71.01324	0.7
71.04980	2.0
72.08171	0.6
76.14492	0.6
77.03951	0.7
79.05494	56.5
80.05814	1.0
81.03411	2.0
81.07053	11.5
82.04199	1.1
83.04501	1.1
83.04977	17.4
83.08620	1.5
85.02908	1.4
91.05482	40.0
92.06254	1.6
93.03411	2.4
93.07043	19.0
95.04387	1.2
95.04971	15.4
95.06040	0.7
95.08611	6.2
97.02895	1.4
97.06536	5.0
97.10141	1.6
105.07030	24.4
106.04166	0.6
106.07371	1.0
107.04958	12.7
107.08593	100.0
108.05770	2.7
108.08923	3.6
109.06521	21.6
109.10151	0.7
110.03645	2.4
110.07307	1.0
111.04443	27.5
111.07301	1.0
111.08082	19.4
112.04763	0.7
112.08677	0.9
115.05461	5.7
117.07028	10.1
119.06063	2.6
121.03983	0.8
121.06461	2.0
123.08068	29.4
124.08868	1.3
125.06001	4.7
125.09631	39.1
126.10020	1.5
133.07608	2.1
135.08057	73.2
136.08424	3.3
138.03119	12.2
138.06764	0.6
153.05476	24.0
153.09103	36.9
153.11293	2.1
153.12613	1.3
154.05846	0.8
154.09560	1.2
163.19565	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	153.0909
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
52.32714	0.3
53.03947	1.1
55.01873	26.8
55.05512	8.5
56.02185	0.4
56.96564	1.7
57.03437	1.4
57.07077	0.3
59.05003	0.6
61.41267	0.3
65.03943	5.2
67.05506	11.9
68.99787	1.7
69.03429	2.7
69.07063	3.8
70.06597	0.3
70.94259	3.2
70.95869	0.6
71.04990	1.3
71.49627	0.3
71.49989	0.5
71.94106	5.0
71.95266	2.9
79.05498	7.1
80.05009	0.4
81.03422	1.0
81.07048	3.0
83.04982	48.6
83.08634	1.7
84.05318	0.7
85.02898	0.8
88.95306	1.3
89.95155	0.7
91.05488	5.2
93.03416	2.8
93.07047	11.6
94.07401	0.3
95.04979	3.5
95.08608	1.1
97.02888	0.7
97.06532	7.7
97.10159	0.3
99.04455	18.0
100.04820	0.3
105.07037	1.4
106.96359	0.3
107.04949	2.3
107.06106	0.4
107.08599	9.3
109.06516	2.6
109.10174	1.0
110.03661	0.7
110.07190	0.9
111.04443	100.0
111.08073	4.9
111.96858	1.3
112.04762	2.9
112.08758	0.8
112.96709	1.2
117.07027	0.9
121.02840	0.7
125.05992	3.2
125.09637	4.5
129.05482	2.3
129.97919	1.7
130.97768	1.7
130.98663	0.3
135.04391	0.7
135.08064	4.6
135.11676	1.3
148.97386	0.3
149.01183	0.4
152.99472	0.4
153.01898	0.8
153.05466	2.8
153.06610	0.7
153.09106	9.3
153.11467	0.6
153.12694	2.8
154.09683	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	153.1274
Annotation	1,4-p-Menthadien-7-ol
Peak:m/z	Relative Intensity
53.03937	2.4
55.01876	3.1
55.05507	13.4
56.96566	3.4
57.03448	4.5
57.07081	3.1
59.04990	2.0
65.03937	7.3
65.98486	0.5
67.05503	32.3
68.05009	0.6
68.05801	0.6
69.03432	3.7
69.07068	49.5
70.07398	1.3
70.94260	5.9
70.95231	1.5
70.95856	1.9
71.05006	3.4
71.05329	0.6
71.94104	12.1
71.95261	12.9
79.05493	29.4
80.05029	0.9
81.03395	0.9
81.07055	41.0
83.04987	9.5
83.08619	6.6
85.02901	1.0
85.06541	2.1
88.95296	2.4
89.95120	1.0
89.96316	0.7
91.05482	7.2
93.03420	1.8
93.07043	49.4
95.04974	5.2
95.08603	19.0
97.02890	1.3
97.06525	21.3
97.10133	0.7
101.84845	0.5
105.04524	0.9
105.07018	2.9
106.96325	1.0
107.04942	1.6
107.08592	52.6
108.04510	1.1
108.08910	2.0
109.06509	2.6
109.10155	35.8
110.03667	1.8
110.10509	1.1
111.04455	12.7
111.08077	11.0
111.11716	0.9
111.96888	2.5
112.04771	1.5
112.96723	4.0
117.07000	0.8
125.06001	6.4
125.09635	3.5
126.06299	1.5
129.97928	4.0
130.97737	4.0
133.10132	0.6
135.04424	0.7
135.08116	4.7
135.11688	100.0
136.03935	0.8
136.07553	0.7
136.12044	3.5
138.03125	1.4
138.05031	1.6
147.40294	0.6
148.97330	1.1
153.04346	1.1
153.05499	7.9
153.07474	3.7
153.09158	8.9
153.12744	79.1
154.05014	2.0
154.08585	0.8
154.13062	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	155.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01873	1.5
55.05513	1.9
55.93522	2.2
56.05032	1.2
56.96568	19.9
57.03441	3.7
58.99860	3.9
60.95866	0.8
61.02932	2.1
61.26728	0.6
67.05500	1.8
68.05028	1.5
69.03429	4.1
69.58410	1.6
69.58820	2.9
69.96182	1.1
70.06265	0.6
70.06577	3.6
70.95866	3.8
70.99861	1.1
71.04993	1.3
71.94118	0.7
72.08163	2.4
72.93791	14.4
73.02917	6.3
73.28856	0.5
74.09708	1.7
74.97614	1.6
77.00906	5.2
78.52958	1.0
81.03421	2.4
81.07056	2.0
82.01460	2.5
82.06584	1.1
83.00782	1.7
83.04989	2.6
83.06117	2.2
84.01559	3.5
84.04515	1.1
84.08160	1.7
84.95997	0.6
85.02910	3.8
86.03712	0.7
86.06069	7.2
88.02680	1.3
88.96928	1.6
89.00826	2.7
90.01537	0.7
90.94833	4.7
92.01293	1.7
93.02097	4.5
93.04518	1.3
93.53488	0.8
94.99843	1.0
95.01966	1.2
95.04975	1.0
95.06086	1.9
95.08607	1.2
96.01534	0.9
96.04501	7.1
97.02895	4.0
97.07664	1.4
98.01356	1.4
98.09656	0.6
98.97591	4.7
98.98512	0.8
99.04470	1.9
100.02488	25.0
101.00878	12.6
101.02582	0.8
102.01611	0.6
102.02390	1.7
103.00654	0.7
103.02468	4.6
104.01299	2.5
105.00357	1.5
105.02069	2.3
107.09547	0.6
108.95846	1.3
109.02913	1.1
109.05165	0.6
109.06541	1.3
109.10157	1.2
110.06049	0.8
110.07174	20.9
110.09693	1.5
110.97541	0.7
111.02087	2.5
111.02870	1.1
111.04472	2.0
111.98483	1.8
112.01008	1.2
113.00866	8.1
113.05994	2.1
113.53238	1.8
113.96387	5.0
114.00910	1.7
114.04033	2.3
115.02435	1.8
116.98653	3.1
117.01902	0.6
118.01143	1.8
118.02689	1.5
118.03523	22.5
119.01925	90.6
120.01955	2.1
120.02602	2.2
121.01606	1.4
121.03464	3.6
122.53699	1.5
123.04118	1.1
124.02491	2.2
126.02589	0.8
126.09147	0.7
127.03909	1.3
127.07532	1.1
128.02296	1.8
128.98607	1.6
129.99515	1.3
130.06325	1.6
131.01913	100.0
131.54266	1.3
131.95250	0.8
131.96194	2.9
131.97440	6.2
131.99692	1.4
132.01970	13.4
132.05090	4.1
132.95825	2.9
133.01627	3.4
133.03467	11.8
134.99637	1.8
137.02962	40.6
137.05995	0.8
137.10764	2.1
138.05492	1.0
138.09134	8.1
141.02768	1.3
142.03503	31.8
143.03621	0.7
144.05173	1.1
145.03448	2.5
145.04561	0.6
146.99657	3.4
147.03261	0.7
149.01251	4.7
149.02965	33.1
149.96141	0.8
149.97209	9.3
150.00795	1.7
150.02994	4.0
150.06133	1.5
150.96902	11.7
151.02698	0.8
151.04533	6.2
153.55771	0.7
154.03537	3.3
154.90741	1.2
155.01900	8.7
155.03581	1.5
155.07022	5.3
155.08157	1.0
155.11771	3.6
156.03157	0.8
156.04192	8.2
156.07727	2.0
158.99619	0.7
160.04543	12.2
161.02992	1.2
165.00764	1.3
165.05135	1.3
167.02313	3.5
167.98416	0.8
168.97905	0.9
172.04524	0.9
173.01453	1.2
173.02971	16.0
173.98532	0.9
174.03133	1.0
174.06181	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	155.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01869	6.8
55.02971	1.1
55.05509	38.5
55.93514	5.9
56.05035	5.2
56.05824	1.7
56.96562	71.1
57.03436	6.8
57.07070	2.2
58.02941	1.3
58.06592	1.3
58.96156	0.9
59.05000	1.3
59.06117	2.6
60.04514	2.5
61.02906	3.2
65.03935	4.4
67.01881	1.1
67.02964	1.7
67.05505	17.3
68.05023	4.2
69.03429	16.8
69.04525	3.2
69.07044	4.8
69.64479	5.7
69.96170	10.7
70.02918	1.1
70.06583	6.6
70.95448	0.7
70.95856	34.3
71.01339	2.5
71.04990	8.4
71.06106	2.7
71.94087	4.4
72.04510	2.3
72.08138	2.5
72.93784	65.2
73.02918	5.3
73.06550	24.9
74.06076	1.3
79.05489	10.8
79.82751	0.9
80.05019	1.7
81.03419	6.8
81.04531	4.1
81.07050	31.2
82.02917	1.3
82.06565	6.0
83.00792	1.1
83.02582	1.1
83.04975	19.1
83.06091	4.3
84.04505	2.6
84.05589	1.1
84.08142	3.9
84.96039	1.5
85.02900	14.7
85.06081	0.8
85.06510	5.1
85.07664	1.7
86.06052	2.8
87.04454	1.8
87.05569	1.0
88.96900	15.5
89.02413	1.4
90.94823	21.9
91.05495	7.0
92.03117	3.1
92.50961	0.9
93.03410	1.8
93.07056	4.0
94.06583	2.6
95.01316	1.6
95.04962	20.3
95.06091	4.1
95.07365	1.1
95.08598	6.4
96.04464	3.3
96.05621	2.9
96.08108	2.4
97.02885	12.1
97.04004	2.8
97.06490	2.7
97.07655	2.8
98.01323	1.2
98.06057	2.2
98.07169	4.4
98.09657	1.1
98.97577	30.3
98.98444	4.0
99.04449	7.9
99.05555	3.0
99.06350	1.1
99.08078	1.2
102.03361	1.8
103.02386	1.0
105.04507	1.2
106.97912	3.1
108.95849	6.5
109.02894	7.4
109.04016	1.1
109.06510	21.9
109.07600	5.5
109.10138	6.9
110.01286	2.6
110.03081	1.2
110.06068	6.0
110.07178	8.4
110.09682	3.5
110.97569	1.3
111.03816	1.5
111.04456	16.6
111.05573	3.1
111.08056	6.6
111.09215	1.6
111.98469	10.9
112.02804	1.0
112.07592	2.1
112.08730	1.0
113.03504	1.1
113.05993	13.9
113.06756	1.2
113.07147	1.8
113.08216	2.2
113.96395	18.6
113.98664	3.0
114.06647	7.2
114.09128	1.6
114.10278	1.2
116.98614	27.9
117.03880	2.1
119.01869	8.4
119.03636	1.6
119.08627	1.1
120.04410	1.2
120.05576	1.7
123.04427	2.8
125.03584	1.8
125.05975	3.1
127.03941	4.9
127.07552	8.2
128.02299	4.6
128.07143	1.2
128.08133	1.6
128.98575	3.1
129.02235	2.6
129.05487	2.8
129.99504	9.3
131.00153	1.7
131.01875	7.1
131.96159	13.4
131.97430	22.9
131.99655	8.7
132.01984	1.3
132.95819	28.7
133.03416	2.2
134.99652	15.0
137.02324	3.7
137.05963	6.1
137.07062	3.0
137.08055	1.3
137.09586	2.7
137.10698	2.1
138.05484	6.3
138.06601	5.0
138.09128	3.4
138.10136	1.3
139.04114	1.5
140.00201	1.2
140.04681	2.8
141.01825	3.1
143.00214	1.6
144.05226	1.3
145.01701	1.3
146.04100	2.5
146.99619	5.0
147.03271	10.0
148.97379	0.9
149.02950	2.1
149.97192	45.3
150.00719	18.0
150.96877	100.0
153.00763	1.8
153.05765	1.8
154.90727	10.5
155.03427	3.4
155.04610	26.1
155.07028	35.5
155.08160	5.4
155.09218	6.0
155.10588	2.0
155.11803	3.9
155.12871	2.2
155.54843	2.3
155.97408	3.3
156.02971	1.3
156.05106	1.0
156.06502	2.1
156.07698	3.1
156.10204	2.3
156.11336	1.8
158.99654	14.2
161.01205	1.7
161.03000	1.7
162.99123	1.5
163.02745	1.9
164.05179	14.9
164.55362	1.5
165.00745	2.0
165.04344	19.9
167.98216	7.6
168.01845	3.7
168.97955	5.6
172.95128	0.9
172.98863	2.2
173.98488	7.7
174.00792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01869	6.8
55.02971	1.1
55.05509	38.5
55.93514	5.9
56.05035	5.2
56.05824	1.7
56.96562	71.1
57.03436	6.8
57.07070	2.2
58.02941	1.3
58.06592	1.3
58.96156	0.9
59.05000	1.3
59.06117	2.6
60.04514	2.5
61.02906	3.2
65.03935	4.4
67.01881	1.1
67.02964	1.7
67.05505	17.3
68.05023	4.2
69.03429	16.8
69.04525	3.2
69.07044	4.8
69.64479	5.7
69.96170	10.7
70.02918	1.1
70.06583	6.6
70.95448	0.7
70.95856	34.3
71.01339	2.5
71.04990	8.4
71.06106	2.7
71.94087	4.4
72.04510	2.3
72.08138	2.5
72.93784	65.2
73.02918	5.3
73.06550	24.9
74.06076	1.3
79.05489	10.8
79.82751	0.9
80.05019	1.7
81.03419	6.8
81.04531	4.1
81.07050	31.2
82.02917	1.3
82.06565	6.0
83.00792	1.1
83.02582	1.1
83.04975	19.1
83.06091	4.3
84.04505	2.6
84.05589	1.1
84.08142	3.9
84.96039	1.5
85.02900	14.7
85.06081	0.8
85.06510	5.1
85.07664	1.7
86.06052	2.8
87.04454	1.8
87.05569	1.0
88.96900	15.5
89.02413	1.4
90.94823	21.9
91.05495	7.0
92.03117	3.1
92.50961	0.9
93.03410	1.8
93.07056	4.0
94.06583	2.6
95.01316	1.6
95.04962	20.3
95.06091	4.1
95.07365	1.1
95.08598	6.4
96.04464	3.3
96.05621	2.9
96.08108	2.4
97.02885	12.1
97.04004	2.8
97.06490	2.7
97.07655	2.8
98.01323	1.2
98.06057	2.2
98.07169	4.4
98.09657	1.1
98.97577	30.3
98.98444	4.0
99.04449	7.9
99.05555	3.0
99.06350	1.1
99.08078	1.2
102.03361	1.8
103.02386	1.0
105.04507	1.2
106.97912	3.1
108.95849	6.5
109.02894	7.4
109.04016	1.1
109.06510	21.9
109.07600	5.5
109.10138	6.9
110.01286	2.6
110.03081	1.2
110.06068	6.0
110.07178	8.4
110.09682	3.5
110.97569	1.3
111.03816	1.5
111.04456	16.6
111.05573	3.1
111.08056	6.6
111.09215	1.6
111.98469	10.9
112.02804	1.0
112.07592	2.1
112.08730	1.0
113.03504	1.1
113.05993	13.9
113.06756	1.2
113.07147	1.8
113.08216	2.2
113.96395	18.6
113.98664	3.0
114.06647	7.2
114.09128	1.6
114.10278	1.2
116.98614	27.9
117.03880	2.1
119.01869	8.4
119.03636	1.6
119.08627	1.1
120.04410	1.2
120.05576	1.7
123.04427	2.8
125.03584	1.8
125.05975	3.1
127.03941	4.9
127.07552	8.2
128.02299	4.6
128.07143	1.2
128.08133	1.6
128.98575	3.1
129.02235	2.6
129.05487	2.8
129.99504	9.3
131.00153	1.7
131.01875	7.1
131.96159	13.4
131.97430	22.9
131.99655	8.7
132.01984	1.3
132.95819	28.7
133.03416	2.2
134.99652	15.0
137.02324	3.7
137.05963	6.1
137.07062	3.0
137.08055	1.3
137.09586	2.7
137.10698	2.1
138.05484	6.3
138.06601	5.0
138.09128	3.4
138.10136	1.3
139.04114	1.5
140.00201	1.2
140.04681	2.8
141.01825	3.1
143.00214	1.6
144.05226	1.3
145.01701	1.3
146.04100	2.5
146.99619	5.0
147.03271	10.0
148.97379	0.9
149.02950	2.1
149.97192	45.3
150.00719	18.0
150.96877	100.0
153.00763	1.8
153.05765	1.8
154.90727	10.5
155.03427	3.4
155.04610	26.1
155.07028	35.5
155.08160	5.4
155.09218	6.0
155.10588	2.0
155.11803	3.9
155.12871	2.2
155.54843	2.3
155.97408	3.3
156.02971	1.3
156.05106	1.0
156.06502	2.1
156.07698	3.1
156.10204	2.3
156.11336	1.8
158.99654	14.2
161.01205	1.7
161.03000	1.7
162.99123	1.5
163.02745	1.9
164.05179	14.9
164.55362	1.5
165.00745	2.0
165.04344	19.9
167.98216	7.6
168.01845	3.7
168.97955	5.6
172.95128	0.9
172.98863	2.2
173.98488	7.7
174.00792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	Boschnialactone
Peak:m/z	Relative Intensity
53.03947	3.8
53.97134	0.7
55.01871	5.8
55.05514	32.7
56.96561	1.7
57.03200	0.7
57.03442	8.6
57.07074	5.1
59.04997	2.2
65.03939	3.2
67.05507	86.1
68.05827	0.8
69.03430	9.6
69.07072	8.5
69.53362	3.9
69.96178	0.7
70.95864	2.1
71.01347	1.1
71.04995	34.9
71.08633	60.0
71.95297	0.7
72.08983	1.0
72.93790	55.6
73.02920	1.3
73.07680	1.3
77.67815	0.7
79.05489	4.9
81.03419	10.1
81.07055	14.1
83.04985	8.9
83.08628	3.0
85.02906	40.6
85.06546	2.7
87.08125	1.0
88.96918	1.6
90.17307	0.6
90.94830	20.7
91.05484	12.8
93.07043	18.8
95.01351	0.9
95.04980	12.6
95.08607	100.0
96.08945	2.6
97.06541	1.0
97.10159	0.7
98.20845	0.8
98.98473	1.9
99.04454	10.0
99.08097	24.5
99.36743	0.7
101.06020	2.9
107.08605	2.2
108.95872	6.0
109.06532	2.8
109.10159	45.1
110.06075	1.0
110.07145	1.8
110.10453	0.9
111.04429	4.4
111.08079	2.3
111.98482	1.4
112.08702	0.8
113.06020	8.5
113.09618	0.8
113.96400	25.7
115.05477	1.1
117.07024	0.8
119.08592	8.5
127.07563	3.0
127.11192	9.9
129.05440	0.7
131.12317	0.7
131.97441	36.9
132.95865	1.6
137.05974	1.6
137.07040	1.2
137.09627	9.0
141.01826	2.3
149.97240	3.0
149.98451	1.3
150.00746	0.9
150.96878	6.0
153.07010	1.8
154.99033	4.6
155.03394	1.3
155.07047	13.0
155.08536	8.2
155.10619	6.5
155.15431	0.7
172.76108	0.7
172.98782	1.2
173.98434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03954	1.5
55.01881	1.2
55.05513	9.6
55.93510	0.5
56.05050	0.5
56.96581	0.4
57.03442	4.1
57.07076	3.9
58.06610	0.7
59.04998	0.8
59.06115	0.6
65.03945	2.3
65.79422	0.3
67.05506	63.7
68.05842	1.4
69.03432	6.6
69.04571	0.4
69.07070	7.4
70.02933	0.5
70.06582	0.8
70.71840	0.4
70.72182	0.8
70.95850	2.1
71.01354	0.5
71.04993	11.5
71.08636	1.0
72.04536	0.6
72.08170	0.4
72.93790	20.1
73.06568	0.4
74.06119	0.4
74.26022	0.3
79.05492	6.7
81.03436	1.1
81.04555	0.9
81.07056	48.6
82.07404	1.3
83.04991	3.5
83.06107	0.7
83.08630	1.5
85.02910	1.1
85.06545	5.3
85.10179	0.4
87.04446	0.4
88.96912	1.0
90.94824	6.5
91.05477	2.3
93.07044	3.8
95.01384	0.5
95.04972	11.8
95.06047	0.4
95.08605	17.6
96.05677	0.6
96.08934	0.5
97.04005	0.4
97.06531	4.5
97.07635	0.5
98.07199	0.7
98.20894	0.4
99.04455	8.5
99.08098	5.6
101.05991	0.5
107.08590	3.2
108.95892	1.2
109.02849	0.5
109.06522	3.9
109.10157	100.0
110.07172	0.9
110.10500	2.8
111.04443	2.1
111.08057	1.5
111.98482	0.9
112.08734	0.7
113.06004	4.1
113.09649	0.6
113.96403	9.4
113.97194	0.7
114.06677	0.8
114.10326	0.6
119.01920	1.3
119.04895	0.4
119.08586	2.0
120.05618	0.4
121.18423	0.4
123.04425	2.2
127.07565	1.6
127.11210	0.6
129.05499	0.6
129.99504	0.8
131.01932	4.0
131.97440	10.1
132.95839	1.8
137.06015	1.0
137.07095	0.5
137.08104	0.5
137.08473	0.5
137.09621	11.5
137.13243	0.5
138.06595	1.3
138.09065	0.5
138.10098	0.5
140.04704	1.0
149.02928	1.2
149.97235	1.0
150.96875	5.5
154.99055	0.5
155.03418	0.7
155.05042	0.4
155.07080	6.4
155.08298	0.8
155.09325	0.6
155.10623	3.5
155.12915	1.6
155.14322	1.1
156.07787	0.7
156.11374	0.4
173.02928	0.5
173.98436	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	156.102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	1.1
55.01861	2.3
55.02981	1.1
55.05506	6.8
55.93513	1.4
56.05038	4.0
56.96543	2.9
57.03430	1.4
57.04548	1.2
57.07063	0.8
58.05321	0.9
58.06583	1.5
59.06129	5.2
60.04508	3.2
67.02976	2.4
67.05508	10.8
68.05013	3.3
68.05830	1.4
69.03427	1.9
69.04538	1.8
69.07060	4.5
70.02933	1.4
70.06593	14.6
70.95862	32.5
71.04978	2.8
71.05341	0.7
71.06096	1.1
71.48889	1.2
72.04514	4.4
72.08147	2.2
72.93790	26.3
73.93816	1.8
74.06078	1.7
74.93821	4.6
77.11797	0.7
79.05489	2.3
80.04996	0.9
81.04547	4.2
81.07053	4.1
82.06579	11.5
82.07353	1.0
83.04977	3.1
83.06094	3.7
83.08627	1.0
84.04510	4.2
84.08145	4.4
85.06548	0.9
85.07648	1.3
86.06049	1.9
86.09696	2.1
87.05599	1.0
88.96900	12.2
90.94822	7.9
91.05470	1.6
92.94862	1.5
93.07049	5.9
94.06577	1.6
95.04965	2.2
95.06082	1.7
95.08610	16.4
96.04497	1.6
96.05621	1.7
96.08143	4.0
97.02894	1.8
97.03991	5.2
97.06535	4.6
97.07655	4.9
98.04800	1.6
98.06085	3.6
98.07199	3.6
98.09685	2.2
99.05576	1.8
100.03972	2.1
100.04736	0.8
100.07605	1.2
101.07127	0.8
106.97942	1.7
108.05583	1.1
108.95842	1.5
109.10168	1.3
110.06047	10.9
110.07182	6.6
110.09690	16.2
110.10469	0.7
111.04439	1.7
111.05582	4.7
111.08084	4.6
111.09193	3.1
111.09913	0.8
111.98471	12.4
112.07571	2.0
112.08447	0.7
113.05975	0.9
113.07163	1.7
113.10758	2.0
113.96416	3.3
114.05520	1.0
114.06665	6.5
114.10291	1.0
114.94753	1.0
114.96713	0.8
115.05022	1.4
115.08695	1.1
115.96459	4.1
120.05578	1.3
120.08107	1.1
121.06515	0.8
121.07602	0.9
121.10145	1.5
128.07092	1.2
128.10794	0.8
128.22450	0.7
129.07011	1.0
129.99509	9.2
131.97452	2.0
132.95831	26.2
132.97556	0.9
133.97473	2.9
138.06767	6.6
138.09137	100.0
139.03900	0.8
139.05038	1.1
139.07587	1.5
139.08649	2.4
139.09512	2.0
139.11208	1.8
142.07784	0.9
150.96887	85.6
151.97115	2.0
152.97296	0.9
155.97430	3.3
156.07614	7.9
156.10202	91.0
156.11234	5.0
156.13791	1.6
157.07513	1.1
157.10504	2.6
157.12213	1.8
162.07776	1.0
168.97951	5.1
173.98550	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	156.1019
Annotation	Scopoline
Peak:m/z	Relative Intensity
54.03474	0.7
55.01873	2.1
55.05513	9.4
55.93523	2.1
56.05035	5.8
56.96571	4.0
57.03438	6.2
57.04560	2.0
58.02961	1.6
58.06598	2.3
59.05023	1.0
59.06124	4.3
60.04523	2.4
65.03924	1.3
67.02979	1.3
67.05502	10.0
68.05033	4.7
68.05845	2.1
69.03430	3.3
69.04556	2.2
69.07068	15.0
70.02968	1.6
70.06592	8.5
70.95866	28.5
71.01361	0.7
71.04986	2.1
71.06112	1.9
71.49381	1.2
72.04533	4.1
72.05328	1.0
72.08157	4.6
72.93788	24.3
73.02938	1.0
73.93826	1.9
74.06079	2.2
74.93829	6.1
79.05482	4.6
80.05004	1.8
81.04552	4.4
81.07059	5.3
82.02934	1.1
82.05311	1.0
82.06582	13.5
82.07384	1.5
83.04987	5.1
83.06111	2.8
83.08611	3.2
84.04501	3.2
84.05298	0.8
84.08154	2.0
85.04003	1.1
85.07674	1.6
86.06076	1.7
86.09706	2.9
87.05612	1.4
88.96901	13.9
90.94822	9.5
91.05471	5.7
91.94890	0.8
92.94863	2.9
93.04533	1.3
93.07039	12.6
94.06576	2.2
95.04971	3.7
95.06094	2.1
95.07345	3.3
95.08610	12.2
96.04494	17.8
96.05244	1.7
96.05715	0.9
96.08136	14.8
96.08827	1.1
97.02912	1.5
97.04012	4.1
97.04659	1.5
97.05273	20.1
97.06528	15.6
97.07617	6.8
98.04833	1.2
98.06104	4.8
98.07207	3.7
98.09688	3.3
99.04469	1.1
99.05572	2.0
99.08074	0.8
100.03987	1.7
100.07622	7.9
101.07181	0.9
103.05457	0.9
106.97950	3.2
108.05638	0.7
108.08127	3.9
108.95881	3.3
109.06525	5.2
109.10180	0.8
110.06045	42.4
110.07178	8.4
110.09688	30.4
110.10471	2.9
111.04427	2.0
111.05599	5.6
111.06310	1.1
111.08080	16.0
111.09213	3.3
111.09927	0.8
111.98473	10.3
112.03974	1.0
112.04768	0.8
112.07619	1.6
112.08312	0.7
113.05972	0.8
113.07138	1.9
113.10738	1.3
113.96401	2.8
114.05498	0.9
114.06664	6.9
114.09191	1.2
114.10266	0.9
115.05495	11.6
115.08686	1.0
115.96439	6.3
116.05824	1.1
120.05594	2.3
120.08097	3.5
121.06503	4.1
121.10143	0.9
123.06816	1.5
124.04776	1.6
125.08376	8.2
126.05527	1.0
126.09158	43.4
127.09496	1.6
128.06224	1.4
128.07094	1.0
128.10707	1.0
129.05513	0.9
129.06973	2.5
129.99501	10.1
130.01048	1.0
131.97440	3.0
132.95827	23.1
132.97627	1.3
133.06525	4.1
133.97469	6.9
138.05548	1.5
138.06715	6.9
138.09138	100.0
139.04041	0.8
139.05057	2.8
139.07510	4.1
139.08644	2.7
139.09503	2.5
139.11157	0.8
139.12361	0.9
141.07025	1.1
142.07793	2.1
143.06062	4.4
150.96889	82.3
151.97055	1.4
153.01161	0.9
155.97401	4.0
156.04240	1.3
156.07967	13.7
156.10197	85.9
156.11269	5.4
156.13818	2.5
157.06354	1.3
157.10593	3.3
168.97952	4.8
173.98486	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	156.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
54.03453	0.7
55.01863	1.3
55.05504	3.9
55.93516	1.6
56.05035	2.6
56.96574	1.7
57.04558	0.6
58.02946	0.7
58.06589	1.3
59.06125	2.5
60.04514	1.6
65.03941	0.7
67.02979	1.4
67.05505	8.3
68.05011	1.4
69.03420	1.2
69.04539	1.6
69.07068	1.8
69.96861	1.4
69.97265	0.8
70.02946	1.2
70.06218	0.6
70.06593	11.9
70.95865	19.7
71.05000	0.7
71.06107	1.0
72.04511	2.1
72.08154	0.8
72.93790	17.5
73.93825	1.0
74.06078	0.7
74.93826	2.3
75.05581	0.4
79.05489	0.7
80.04998	0.4
81.04536	2.5
81.07052	1.4
82.02907	0.5
82.06580	11.5
83.04961	1.1
83.06102	2.0
84.04498	1.9
84.08144	3.9
85.02865	0.4
85.04040	0.7
85.07653	0.8
86.06079	0.5
86.09718	0.6
87.05565	0.7
88.96905	7.8
90.94834	5.4
91.05473	1.2
92.94878	0.6
93.04496	0.7
93.07046	4.7
94.06569	1.1
95.04972	1.1
95.06065	0.9
95.07342	0.6
95.08604	10.9
96.04488	1.0
96.05656	0.8
96.06860	0.3
96.08122	2.5
96.08955	0.4
97.02877	0.9
97.04001	2.3
97.06532	1.8
97.07657	2.5
98.04809	0.6
98.06016	0.9
98.07186	2.1
98.09677	1.5
98.21426	0.5
99.05576	1.0
100.03947	1.0
100.07619	0.6
103.05513	0.4
106.97919	1.2
107.00784	0.4
108.05592	0.7
108.08106	0.5
108.95855	0.9
109.06470	0.5
109.07629	0.5
110.06041	9.4
110.07178	2.8
110.09679	13.4
111.04456	0.4
111.05555	3.9
111.06281	0.6
111.08067	1.4
111.09198	1.7
111.98473	7.1
112.05079	0.5
112.07584	0.8
113.05984	0.6
113.07167	0.5
113.10783	0.7
113.96387	1.5
114.05562	0.5
114.06627	2.6
115.05054	0.4
115.08739	0.5
115.96442	1.4
120.05589	1.5
120.08089	1.2
121.03999	0.4
124.05000	0.4
127.08691	0.4
128.10716	0.9
129.99515	5.3
130.01010	1.1
131.50644	0.3
131.97430	1.5
132.95833	16.7
133.97473	1.1
134.01256	0.4
138.06654	3.7
138.09138	100.0
139.01508	0.6
139.04016	0.4
139.05057	0.8
139.07562	0.9
139.08571	0.7
139.08806	0.5
139.09541	2.5
141.06963	1.0
142.07784	0.6
150.96887	52.8
151.97050	1.2
152.97273	0.4
153.01093	0.4
155.97420	1.7
156.07605	3.8
156.10204	88.2
156.11177	3.3
157.06206	0.6
157.07552	0.5
157.10603	3.1
168.97920	3.1
173.98526	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	156.102
Annotation	Scopoline
Peak:m/z	Relative Intensity
50.54317	0.2
53.03934	0.3
55.01886	0.3
55.05508	3.0
56.05039	0.6
59.06131	0.5
65.03939	0.5
66.12183	0.2
67.05507	5.6
68.05023	0.7
68.36477	0.3
69.03433	0.4
69.04543	0.4
69.07077	0.4
70.06593	11.7
70.55443	0.9
70.95866	4.6
72.08161	0.3
72.93790	4.0
74.93839	0.6
79.05495	0.6
81.04544	0.5
81.07069	0.9
82.02950	0.5
82.06583	10.2
83.04956	0.6
83.06121	0.4
84.04507	1.6
84.08144	3.2
86.09727	0.3
88.96904	1.2
90.94824	0.9
91.05491	1.2
93.07050	2.8
94.06577	0.3
95.04967	0.8
95.07996	0.6
95.08607	10.3
95.92155	0.3
96.04503	0.7
96.08138	1.2
96.08949	0.3
97.02879	0.5
97.04024	0.4
97.06544	0.6
97.07664	0.6
98.04899	0.3
98.20912	0.3
109.06511	0.4
110.06048	9.2
110.06871	0.5
110.07173	0.6
110.09682	11.4
111.04441	0.6
111.05577	0.5
111.08045	0.3
111.10047	0.4
111.98483	1.7
114.06668	0.5
115.05158	0.3
115.96430	0.3
120.08109	1.0
121.06514	0.3
129.99515	0.7
130.46512	0.4
132.95833	3.5
136.07646	0.4
138.09140	100.0
139.03899	0.6
139.07686	0.3
139.09525	2.8
150.96893	10.7
155.97458	0.5
156.10202	74.4
157.10550	2.0
168.97980	0.5
173.98549	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	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98630	0.6
56.96568	15.8
65.51551	0.6
69.94667	2.0
71.95267	2.5
74.77562	0.4
75.89111	0.5
98.97585	100.0
116.98623	93.8
118.03510	0.6
119.01915	2.1
121.52209	0.6
134.02969	2.5
134.99658	57.2
135.21478	0.6
137.00090	0.6
137.02988	0.6
140.00201	1.4
153.00711	8.6
158.01230	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	158.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95423	0.5
53.03901	1.0
55.01840	0.8
55.05458	14.1
55.05750	1.1
56.04983	10.5
56.05280	0.7
56.96513	39.5
56.96818	2.5
57.03385	14.9
57.03695	1.0
57.07025	2.3
57.30596	0.6
57.93505	2.0
58.02925	0.8
58.06595	4.1
59.06121	7.0
60.04526	35.3
60.04810	2.4
61.04796	0.7
67.05453	3.5
68.04980	2.5
69.03397	1.0
69.04503	0.6
69.07074	12.6
69.97191	2.2
70.06595	5.0
71.04957	1.7
71.06070	2.1
71.08588	1.6
71.95258	3.2
72.04467	2.3
72.08113	2.2
74.06084	8.8
74.97570	1.2
75.05542	1.7
75.94586	0.7
76.03993	1.4
76.93325	1.8
79.05492	7.2
81.03373	1.3
81.04510	1.4
81.07056	50.9
82.02930	0.8
82.06577	7.8
82.07338	1.1
83.04992	3.7
83.06106	4.7
84.04471	2.7
84.08112	1.7
85.02899	2.9
85.03969	0.7
85.06501	0.7
85.07632	0.9
86.06075	3.1
86.08426	1.2
86.09703	14.3
87.05575	4.2
88.07618	0.9
89.00771	1.0
91.05461	1.1
93.23866	0.6
94.06534	0.6
94.94379	0.7
95.04973	3.7
95.06069	2.7
95.08607	4.8
96.01528	0.6
96.03384	3.3
96.04462	1.0
96.08102	1.3
97.06506	3.0
97.07635	1.0
97.10145	1.5
98.01308	6.3
98.06027	2.6
98.07149	1.8
98.09692	41.0
98.97581	59.9
99.05580	6.2
99.08092	33.5
99.09117	1.0
99.09975	1.0
99.97882	0.7
100.03972	1.2
100.07618	6.9
101.07124	1.4
102.05553	0.8
102.07941	0.7
102.09170	2.2
103.05457	3.8
105.02057	2.9
105.03853	1.5
105.07021	1.0
107.01799	2.7
107.08567	1.5
109.02277	2.0
109.06480	1.0
109.10138	1.5
110.03101	1.2
110.07146	1.4
111.05547	0.9
111.07932	0.8
111.09189	1.0
112.07611	3.1
112.11215	2.3
113.07112	2.1
114.03323	1.3
114.04357	0.6
114.05478	1.2
115.00710	0.7
115.04131	1.4
115.08591	0.6
116.00254	0.8
116.06269	0.6
116.07065	2.4
116.08183	1.1
116.10729	10.1
116.97227	6.8
116.98618	82.6
117.06554	1.4
117.95965	1.8
117.98954	0.7
118.02811	6.4
118.53013	0.7
119.03629	4.9
122.07183	0.6
122.09645	1.3
123.03850	5.2
123.05534	1.2
123.08070	1.8
123.54060	1.5
124.04662	4.8
127.03345	3.1
128.03119	0.7
128.04109	0.9
128.07088	1.5
128.10713	11.8
130.06512	4.0
131.04947	3.9
131.05811	0.8
131.08543	1.9
131.11819	1.0
132.04413	2.2
133.01701	3.0
133.05162	7.2
134.01299	1.0
134.99655	100.0
135.97012	1.8
136.00014	1.1
137.03630	3.0
140.00212	2.0
140.08206	1.8
140.10689	8.3
141.01892	0.7
141.06651	2.1
141.10249	1.8
142.05782	0.8
146.04108	3.1
149.01201	0.8
149.58195	0.7
151.02756	0.8
152.96954	2.4
153.00711	23.7
153.01952	1.2
155.04674	1.5
158.01247	3.9
158.06064	2.6
158.09663	26.4
158.11745	28.8
158.15356	3.8
159.04437	1.3
159.07823	2.5
159.10167	1.0
159.11798	2.3
161.01216	1.4
163.07712	0.7
168.59908	0.7
170.98003	0.7
175.02881	1.7
176.02344	1.5
179.02267	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	158.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35991	0.6
54.03461	0.7
54.98635	0.7
55.01858	0.7
55.05504	0.5
56.04768	0.6
56.05036	9.2
56.96567	29.9
57.03421	0.7
57.07069	0.6
57.93546	0.7
58.02950	2.0
58.05351	0.5
58.06586	2.0
59.06126	7.7
59.93097	2.1
60.04519	1.8
60.07659	0.6
60.95839	0.5
63.02300	0.6
67.05504	0.6
68.05011	1.4
69.03429	0.7
69.04544	0.9
70.02932	0.8
70.06582	2.1
71.06110	2.1
71.48405	0.6
71.95266	3.3
72.04520	4.1
72.93781	0.8
73.95679	0.7
74.06081	1.4
74.97612	0.7
75.05608	0.8
76.04008	3.3
76.93369	4.2
81.07046	0.6
82.06615	0.8
83.06096	2.8
84.04501	6.3
85.02910	0.8
85.04038	1.1
85.07684	1.8
86.02419	0.7
86.06051	1.3
86.08444	0.7
86.15972	0.4
87.05593	1.2
88.07639	1.0
91.05460	1.8
94.94408	1.7
95.05005	0.6
95.06096	5.0
96.04484	2.9
97.00836	0.9
97.07664	1.0
98.06028	0.9
98.97582	36.4
99.04526	0.5
99.05591	5.3
99.97196	0.5
99.97903	2.5
100.03989	2.7
100.05888	0.9
100.07597	0.5
101.02442	0.8
101.07128	0.9
102.05515	2.9
103.05480	1.6
105.02619	0.6
105.07047	0.8
111.05568	1.6
112.95470	0.7
113.07121	7.3
114.05524	2.1
114.06699	0.7
116.00248	1.5
116.98621	63.3
117.06509	2.6
117.96021	2.8
117.98926	3.9
118.04998	0.9
118.96780	5.3
119.01926	2.2
120.03208	0.8
123.00873	0.5
123.05584	0.8
129.07043	0.8
131.04947	1.5
131.08554	2.1
131.11775	2.8
132.06499	0.5
134.01268	1.5
134.99660	100.0
135.97037	3.5
135.99104	0.9
135.99998	6.6
136.02768	1.5
136.04491	0.7
136.99269	0.8
137.02936	1.1
140.00179	1.8
141.01819	1.4
141.06583	5.9
141.10266	0.7
141.96999	2.0
142.03508	1.1
142.05029	0.7
144.09380	0.8
150.95721	0.8
150.97491	0.9
153.00710	29.4
153.96678	1.5
154.01057	2.3
154.59119	1.6
154.96466	2.5
158.01271	4.6
159.04396	1.5
159.06532	0.5
159.07735	8.0
159.09935	3.1
159.11613	2.8
159.15804	0.5
160.04565	2.4
172.97607	0.7
176.02322	1.2
177.01889	1.2
178.05649	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	159.0441
Annotation	1,2-Naphthoquinone
Peak:m/z	Relative Intensity
51.02385	0.8
53.00318	1.4
53.03950	3.8
56.96567	3.0
71.48884	0.4
71.95270	0.4
77.03542	0.2
77.03898	1.4
81.03430	0.4
91.05482	1.6
91.23378	0.3
95.04967	8.8
96.05290	0.3
98.97587	8.1
98.98225	0.4
99.04794	0.2
102.04687	2.4
103.05468	100.0
104.05801	3.8
105.03433	0.3
105.04547	1.8
105.07053	0.8
115.05463	0.6
116.06226	0.3
116.98620	5.8
117.07009	1.1
119.08606	0.3
121.06510	0.3
129.06999	0.5
131.04929	78.5
131.08524	1.6
132.05249	3.5
134.99657	3.2
144.05682	0.5
144.09343	0.9
149.06004	1.6
159.04414	34.6
159.05444	1.3
159.08020	0.9
159.11696	3.7
160.04694	1.3
163.21393	0.3
175.04056	0.4
177.05473	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03950	0.7
55.05519	1.4
56.96565	16.7
57.03435	3.9
57.07063	0.7
59.93112	0.7
61.45185	0.3
65.03925	0.6
67.05505	5.2
69.03415	0.3
69.07072	0.4
69.28858	1.0
69.29285	2.5
70.06561	0.5
71.21740	0.4
76.92925	0.7
76.93363	6.6
79.05486	3.3
79.26588	0.3
81.03411	0.4
81.07040	2.0
91.05478	17.3
93.07027	2.6
94.01866	0.6
94.94409	2.7
95.04967	1.2
97.06556	0.4
97.99191	0.9
98.97578	1.9
103.05463	6.1
105.07027	22.5
107.08588	0.8
112.95467	0.7
113.02399	0.5
115.05449	6.1
116.00217	1.1
116.03126	0.6
116.06242	3.1
116.98621	3.1
117.07019	33.6
117.95982	5.3
118.07342	1.1
118.96781	0.9
119.07732	0.6
119.08582	10.6
128.04878	0.6
128.06236	1.8
129.07004	18.7
130.07794	20.9
131.04930	3.9
131.08566	87.3
131.11823	1.2
132.08893	3.8
134.99643	2.8
135.11696	1.4
135.55804	0.6
135.97025	4.6
137.05440	1.8
141.01828	0.8
141.07053	0.6
142.07750	1.8
143.08536	1.5
144.05656	0.8
144.09344	23.7
145.09677	0.9
145.69215	0.4
146.05957	0.8
153.00697	0.5
157.10138	4.2
158.98622	0.5
159.04420	1.7
159.08157	3.2
159.11685	100.0
160.12048	4.6
164.04254	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	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.5
58.99844	0.2
60.95843	0.2
70.33257	0.3
70.33645	0.3
73.81257	0.1
82.99816	0.8
84.04504	0.1
85.89331	0.1
98.97569	0.3
100.02482	0.2
101.00871	11.2
101.01950	0.3
102.00942	1.1
102.96858	0.5
103.00653	0.3
105.07024	0.5
111.04475	0.1
116.98618	0.5
118.03515	0.8
119.01915	100.0
119.60075	0.1
120.02000	9.9
120.03348	0.3
120.97901	0.4
121.01635	2.2
121.02369	0.3
125.02609	0.2
132.05026	0.1
133.03445	0.2
133.10126	0.3
133.98053	0.2
134.99654	0.3
136.02792	0.2
136.04547	0.4
137.02954	51.7
137.99825	0.2
138.03049	5.1
138.04253	0.4
138.98924	0.5
139.02586	0.7
142.03488	1.9
143.03679	3.9
144.03209	1.5
145.48917	0.3
146.61241	0.1
152.97823	0.1
156.00890	0.3
160.04532	0.9
161.02919	2.4
161.04573	4.0
161.09416	0.4
162.04280	1.5
179.04002	6.0
179.05492	2.1
180.04008	0.3
180.05469	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	161.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62203	7.4
54.82560	7.2
55.01863	10.8
56.05019	10.7
56.96569	37.1
57.07061	24.1
58.06582	11.0
59.06117	12.1
60.04514	23.3
67.05487	24.9
68.05032	10.4
69.03417	24.5
69.07046	8.7
70.06590	21.8
70.73885	18.9
74.06068	12.7
79.05491	8.0
83.06097	9.3
84.04514	14.2
85.02901	27.6
85.06519	15.8
86.06073	13.7
87.04469	10.6
91.05478	8.7
97.02880	21.1
98.06062	12.4
98.97575	89.9
101.00860	20.6
102.05544	12.7
105.07008	34.4
113.02401	18.7
113.94692	8.2
116.84396	7.7
116.98612	54.0
119.01926	100.0
119.08546	21.1
121.06445	13.8
133.06487	29.6
133.10066	12.5
134.99644	23.5
137.02933	50.7
143.01854	7.6
143.08170	9.9
144.06522	9.1
158.99689	39.5
159.03258	13.8
161.02933	15.7
161.04597	28.2
161.05951	22.1
161.07111	14.0
161.08275	10.1
161.09532	26.2
162.05501	30.2
177.00653	54.3
177.04341	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01584	0.2
51.02374	0.5
53.03949	1.8
53.69675	0.2
55.01874	4.7
55.05508	0.6
56.96560	0.5
58.99572	1.6
59.06128	0.3
59.81601	0.2
60.04525	0.5
65.03945	0.7
66.04726	1.4
67.05528	0.3
69.03424	0.3
69.07056	0.3
69.80650	0.6
69.81047	0.5
72.99903	0.2
74.12305	0.2
76.03963	0.3
76.81658	0.2
77.03928	0.7
79.05493	19.7
80.05799	0.7
81.03384	0.3
81.07060	0.4
84.04477	0.2
85.02876	0.3
86.06041	0.2
86.99058	1.1
89.03933	0.8
90.04696	3.1
91.05479	6.0
92.02628	0.7
93.04559	0.3
93.07037	0.5
94.05359	0.2
95.04967	5.2
95.08612	0.2
97.02872	0.4
98.97579	0.2
102.04700	0.5
102.05497	0.3
103.05467	23.6
104.05776	0.5
105.03393	0.7
105.04625	1.2
105.07028	100.0
106.06618	0.4
106.07359	2.8
107.04958	1.2
107.12524	0.2
115.05452	26.8
116.01694	1.6
116.05786	0.6
116.98677	0.2
117.07029	1.6
118.04156	17.1
118.06491	0.4
118.72040	0.3
119.04987	0.7
119.08570	2.5
120.05606	0.5
120.08104	3.8
121.06401	1.0
131.04935	5.1
132.05676	1.1
133.06485	51.0
133.10133	1.8
134.06851	1.8
137.02892	0.2
141.35774	0.2
143.04901	0.7
143.06007	4.0
143.08522	0.4
146.03593	0.7
146.07260	0.4
161.05968	17.3
161.07098	1.7
161.08203	0.7
161.09529	2.8
161.13242	2.2
162.05518	0.8
162.06674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.29703	0.4
53.03941	2.2
55.01872	4.8
61.35538	0.4
62.17508	0.4
63.02361	0.4
65.03951	0.6
66.04727	1.7
69.62077	2.8
77.03921	1.0
79.05492	21.3
81.03421	0.6
89.03931	1.0
90.04704	4.6
91.05482	4.3
92.02621	1.1
95.04976	5.0
102.04681	0.7
103.05467	25.5
104.05783	0.8
105.04535	1.1
105.07034	100.0
106.07358	3.0
107.04933	0.9
109.93821	0.4
115.05459	29.1
116.05795	0.6
118.04164	21.0
119.08581	1.0
120.08110	1.6
121.06402	0.4
122.80341	0.4
131.04921	4.9
132.05693	1.3
133.06494	52.7
134.06871	1.9
143.04959	0.9
143.06017	4.7
146.03574	0.5
147.45071	0.4
161.05988	10.3
161.07278	0.5
161.09604	1.2
161.13292	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03948	2.2
55.01872	5.1
55.05513	1.2
56.96554	1.1
62.71844	0.4
65.03943	0.7
66.04717	1.5
67.05506	0.9
69.07074	1.0
70.06647	1.4
77.03917	0.9
79.05492	18.1
81.07043	1.7
89.03919	0.9
90.04696	3.1
90.86216	0.4
91.05487	7.5
91.55178	0.4
92.02636	0.8
93.04518	0.7
93.07035	1.1
95.04968	5.6
103.05471	21.3
104.05787	0.8
105.03422	0.9
105.07032	100.0
106.07353	2.8
107.04961	1.6
107.08559	0.6
113.02409	0.4
115.05457	25.7
116.05801	1.2
117.07036	1.4
117.61330	0.3
118.03309	0.8
118.04163	16.9
119.01917	0.8
119.08580	12.5
120.05585	0.7
121.06367	1.2
128.06203	0.7
128.90498	0.4
131.04939	4.2
131.08551	1.0
132.05673	1.2
133.06496	49.1
133.10117	6.6
134.05994	0.4
134.07005	1.6
134.09686	0.5
143.05006	0.5
143.06039	3.5
143.08530	1.1
146.03642	1.4
146.07240	0.7
150.04468	0.4
161.05988	14.2
161.07155	4.0
161.08217	0.6
161.09583	5.8
161.13268	7.9
162.05435	0.5
180.04660	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	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84225	0.3
53.03955	0.5
55.01869	0.8
55.05509	1.4
56.96559	0.6
57.03449	0.4
60.25188	0.2
61.41590	0.3
67.05509	1.0
68.05811	0.4
68.36991	0.3
68.85442	0.3
68.99776	0.3
69.03434	7.7
69.07069	1.0
71.49949	0.4
71.50313	0.3
78.93128	1.4
79.05485	2.3
81.07050	1.5
81.16714	0.3
83.48953	0.3
91.05476	7.7
93.07039	3.7
95.04955	1.0
95.08591	0.7
96.94183	0.4
103.05451	1.5
105.03391	0.4
105.07032	40.8
106.06634	0.5
106.07355	1.4
107.04922	2.2
107.08580	0.4
115.05420	1.7
116.06221	0.4
117.07022	1.9
118.04166	0.5
118.07801	0.4
119.04898	0.7
119.08580	12.1
119.95716	0.6
120.08089	0.3
120.08913	0.6
121.06501	14.1
122.06854	0.3
128.06218	6.9
131.04909	2.3
131.08563	2.3
132.05681	1.3
133.06511	4.0
133.10129	26.2
134.06067	0.4
134.10435	1.0
134.99677	0.3
137.96773	1.3
139.01816	0.4
141.07002	0.5
143.08560	9.9
144.08968	0.4
145.06468	2.8
146.03603	0.4
146.07265	24.0
147.07587	1.1
155.05997	0.8
159.08038	0.9
159.11736	0.4
161.06062	2.6
161.09613	100.0
161.13232	8.0
162.05428	0.7
162.10005	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	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70948	0.6
53.03946	3.9
54.24039	0.6
55.01873	16.7
55.05508	6.9
56.96576	1.4
57.03438	0.7
60.04031	0.7
65.03922	1.3
67.05503	7.2
69.03436	5.0
69.07071	2.8
77.03945	1.7
79.05493	12.2
80.06268	0.5
81.03419	3.4
81.07052	3.7
83.05022	0.8
84.89250	0.6
85.02907	0.7
87.43568	0.5
89.78380	0.5
91.05479	45.0
92.05812	1.1
93.04517	0.7
93.07050	8.1
95.04977	4.5
95.08596	0.8
103.05449	7.0
104.06270	1.4
105.03397	3.9
105.07029	100.0
106.07351	3.4
107.04954	15.9
107.06068	1.0
107.08580	1.6
115.05453	18.7
117.07024	10.4
118.04186	3.2
118.07803	1.9
118.71869	0.6
119.04958	6.1
119.08581	42.8
119.95673	0.8
120.05611	1.8
120.08910	1.7
121.06475	7.5
121.10130	0.7
123.41425	0.5
128.06216	22.9
131.04912	5.2
131.08565	10.6
132.05710	9.1
132.09375	0.7
133.02881	3.0
133.06496	25.0
133.10127	46.8
134.07051	1.3
134.10487	1.7
143.04926	30.4
143.08562	19.2
144.05365	1.3
144.08961	0.7
145.06493	4.2
146.03654	1.8
146.07265	19.7
146.10905	0.9
155.06065	0.9
159.08037	2.1
159.11746	0.8
161.02344	2.3
161.05991	22.7
161.09610	92.7
161.13254	22.6
162.06447	1.0
162.07681	0.8
162.09993	4.7
162.13583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01873	0.6
55.05240	0.5
55.05513	10.5
57.07077	0.2
63.57555	0.2
65.03948	0.7
67.05506	3.3
69.07069	10.7
69.33896	1.8
69.34297	0.5
70.07387	0.4
77.03927	0.7
79.05492	5.9
81.07057	9.2
82.07423	0.3
83.08631	0.6
91.05482	17.2
93.07050	10.3
94.07417	0.3
95.04969	1.4
95.08614	1.0
98.20785	0.4
103.05462	3.2
104.06223	0.8
105.07031	72.5
106.07293	1.6
107.08589	4.7
115.05444	2.7
117.07018	6.0
118.04150	0.7
118.07795	0.7
118.09634	0.3
119.08581	100.0
120.08821	2.6
121.06439	0.8
121.10147	4.0
128.06195	0.5
129.07004	0.6
130.07780	0.5
131.04938	0.5
131.08574	8.9
131.09555	0.6
132.09389	1.7
133.02695	0.3
133.06514	2.5
133.10129	52.7
134.10477	1.9
143.08582	1.0
144.09325	0.7
145.10124	1.4
146.07242	1.3
146.10904	4.2
159.11690	4.5
161.06015	2.1
161.09665	5.4
161.13255	82.5
162.13635	3.1
180.20782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37904	0.2
52.63173	0.2
53.03937	0.4
55.05514	6.5
56.05830	0.2
58.18880	0.1
65.76680	0.1
68.47640	0.2
69.07072	2.2
69.69089	0.9
77.03911	0.2
78.04693	0.2
78.85662	0.1
79.05494	1.5
81.07063	1.1
91.05486	7.2
91.19157	0.2
91.50628	0.2
92.05854	0.2
93.07029	1.6
95.04971	0.3
103.05466	1.4
104.06245	0.7
105.07038	15.9
106.07355	0.4
107.08594	1.4
115.05468	0.7
117.07036	2.5
118.04176	0.5
118.07780	0.2
119.08586	100.0
120.08893	2.6
121.06508	0.2
121.10157	3.2
127.30587	0.1
128.06200	0.3
129.07024	0.2
131.04915	0.2
131.08565	2.2
132.09267	0.2
133.06490	0.6
133.10133	17.2
134.10481	0.6
143.08511	0.2
144.09416	0.2
145.10182	0.3
146.03679	0.2
146.07336	0.3
146.10916	1.0
159.11696	0.9
161.05986	1.7
161.07150	0.3
161.09631	1.5
161.13268	20.1
162.13599	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03951	1.1
53.05919	0.6
55.01908	0.7
55.05512	13.0
67.05511	4.2
67.75410	0.7
69.07070	13.8
69.55611	3.2
69.56027	1.4
78.92316	0.7
79.05490	6.4
81.07060	15.6
91.04915	1.3
91.05480	20.5
91.06039	1.3
93.07048	14.1
95.04984	2.2
95.08604	2.2
100.25497	0.6
103.05479	2.1
104.06289	0.7
105.07033	80.4
106.07369	2.0
107.08598	7.3
115.05477	0.9
117.07011	5.0
119.08584	100.0
120.08931	2.3
121.10165	3.4
128.06126	0.7
131.08562	8.6
132.09314	0.9
133.06500	1.0
133.10129	48.2
134.10426	1.4
143.08641	0.7
145.10133	1.6
146.10901	4.4
159.11676	5.9
161.06027	0.7
161.09657	4.4
161.13260	81.6
162.13614	2.5
181.31154	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.86543	0.4
51.02375	0.4
53.03952	1.0
54.65593	0.3
55.05511	10.9
65.03923	0.4
65.74573	0.4
67.05502	3.2
69.07068	10.1
70.97687	0.8
72.86240	0.4
79.05496	5.9
81.07060	8.5
83.08640	0.4
90.04746	0.4
91.05479	17.0
92.05827	0.4
93.07045	10.3
95.04960	0.9
95.08602	1.2
103.05457	3.2
104.06274	0.8
105.07031	71.0
106.07333	1.8
107.08593	4.3
115.05460	1.9
117.07024	5.9
118.04155	0.4
118.07840	0.5
118.79687	0.4
119.08580	100.0
120.08873	3.0
121.06483	0.6
121.10159	3.8
123.02544	0.4
123.28230	0.3
128.06227	0.8
129.06938	0.4
130.07791	0.4
131.04916	0.4
131.08568	8.3
132.09415	1.7
133.06487	2.0
133.10127	54.6
134.10492	2.0
143.08640	0.9
144.09338	0.6
145.10178	1.9
146.07268	1.0
146.10922	3.8
159.11688	3.5
161.06042	1.8
161.09665	4.9
161.13255	80.4
162.13582	3.3
176.20567	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	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.1
53.03944	0.2
55.01866	0.4
55.05508	1.2
56.96561	0.2
61.30498	0.1
65.03934	0.2
65.78536	0.1
67.05490	0.5
69.03403	0.1
69.07050	0.7
69.43353	0.9
75.43898	0.1
77.03934	0.3
78.93119	0.2
79.05496	1.9
81.07054	1.4
91.05480	6.9
92.05807	0.2
93.07039	1.3
95.04966	0.5
95.08587	0.2
103.05457	1.4
104.06235	0.4
105.03397	1.1
105.07029	17.7
106.06688	0.1
106.07365	0.5
107.04936	0.2
107.08576	0.3
107.57198	0.1
112.02811	0.1
115.05463	1.2
117.07037	1.9
118.04186	0.7
119.08578	100.0
120.05528	0.1
120.08036	0.2
120.08894	2.9
121.06433	0.8
121.10146	0.2
128.06248	0.3
130.07735	0.1
131.04968	0.2
131.08551	0.7
132.09343	0.3
133.02849	1.5
133.06477	1.6
133.10123	7.8
134.03287	0.1
134.06073	0.2
134.07121	0.5
134.10455	0.3
143.06110	0.2
143.08554	0.5
145.10139	0.4
146.03601	0.4
146.07217	0.4
146.10826	0.4
157.29262	0.1
159.11716	0.3
161.02371	1.1
161.04678	0.2
161.05986	1.9
161.07130	0.2
161.08203	0.5
161.09608	2.7
161.13254	10.6
162.05492	0.3
162.13599	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02368	0.2
53.03951	0.3
54.66021	0.2
55.01867	0.5
55.05515	1.1
56.29204	0.2
56.96561	2.1
57.03435	0.2
58.83457	0.2
67.05508	0.7
69.03424	0.4
69.07066	1.0
71.04990	0.6
71.49306	0.3
77.03909	0.3
77.28695	0.2
78.93098	0.2
79.05489	2.6
81.03397	0.2
81.07049	1.6
84.86851	0.2
90.04699	0.2
90.39499	0.2
91.05479	7.6
92.05805	0.2
93.07041	1.7
95.04968	0.5
95.08588	0.3
103.05453	1.6
104.06243	0.4
105.03433	1.0
105.07028	27.2
106.07349	0.8
107.04969	0.2
107.06057	0.2
107.08595	0.7
107.83083	0.2
112.02882	0.2
115.05469	0.9
117.07014	2.4
118.04147	0.7
119.08578	100.0
120.05595	0.3
120.08894	3.3
121.06392	0.4
121.10117	0.5
122.04884	0.2
123.28712	0.2
128.06216	0.4
130.04562	0.4
131.04861	0.2
131.08560	1.3
132.05724	0.3
133.02841	1.7
133.06482	2.0
133.10121	8.9
134.06013	0.3
134.07086	0.2
134.10429	0.4
137.05499	0.2
143.05315	0.3
143.08551	0.6
145.10124	0.4
146.03607	0.5
146.07237	0.7
146.10870	0.5
150.06116	0.2
155.03848	0.2
159.11699	0.5
161.02373	1.1
161.06006	1.5
161.07108	0.3
161.08195	0.5
161.09598	4.6
161.13251	13.7
162.05489	0.6
162.13628	0.6
175.02779	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	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
53.03934	1.1
54.90463	0.3
55.01877	4.5
56.96541	0.4
65.03946	1.9
67.05502	0.5
67.13588	0.4
68.99795	0.6
69.03421	1.5
70.73941	1.1
77.03924	0.5
79.05499	12.9
80.05001	0.4
81.03412	1.2
81.07038	0.5
84.36496	0.3
85.02921	0.7
89.03921	13.3
90.03446	7.8
91.05484	24.3
92.05010	0.9
92.05756	0.4
93.07047	2.0
95.04958	2.6
103.05476	2.8
105.04520	0.7
105.07033	6.6
107.04961	29.3
107.08598	23.9
108.04494	0.7
108.05299	0.4
109.06498	2.7
115.05458	3.9
117.03386	10.7
117.04578	0.7
117.07026	5.6
118.02929	0.6
119.04942	14.7
119.05956	0.9
119.08582	0.7
120.04495	3.1
120.05306	0.5
120.05647	0.4
121.06507	1.2
121.10143	0.7
122.07162	0.9
123.08054	0.6
130.06529	0.4
131.04933	3.3
132.08112	0.8
133.06488	0.5
135.04424	21.4
135.08058	20.1
135.11636	0.5
136.04820	0.6
136.07581	1.8
136.08559	0.8
145.02846	8.7
145.03983	10.4
145.06509	0.6
145.10127	1.1
146.02376	100.0
147.02702	2.6
163.03897	76.9
163.05063	80.6
163.07544	6.6
163.09738	1.5
163.11194	2.4
164.03172	0.6
164.04251	1.4
164.05405	2.2
164.06812	0.6
181.03027	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	163.039
Annotation	4-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02406	0.3
53.03938	1.0
55.01868	0.8
56.96568	0.3
62.55795	0.3
63.02359	0.4
65.03937	1.5
68.05024	0.3
68.99785	0.4
69.03432	0.7
69.07071	0.8
69.87008	1.4
69.87306	0.3
77.03898	0.4
79.05495	4.4
79.91553	0.2
81.03426	0.4
81.07056	0.3
85.02901	1.1
89.03915	10.8
90.03430	3.6
91.05474	18.2
92.04974	0.3
93.07027	1.0
95.04970	2.0
95.06098	0.6
95.08611	0.4
97.07600	0.4
98.20853	0.3
103.05466	3.3
105.04499	0.3
105.07023	0.9
107.04949	40.5
107.08582	2.5
108.05287	0.7
109.06530	0.3
117.03378	8.7
117.07000	0.7
119.04935	19.0
119.08529	0.3
120.04464	1.0
120.05265	0.5
121.06520	0.4
121.10144	0.9
122.07159	0.7
123.07954	0.8
130.06467	0.5
131.04918	3.8
132.08116	0.3
135.04408	17.3
135.08066	1.5
135.11723	0.4
136.04718	0.4
136.07556	1.0
136.08574	0.5
145.02844	5.7
145.03975	3.9
145.10098	0.6
146.02364	38.2
147.02715	1.0
163.03900	100.0
163.05061	26.1
163.07553	2.2
163.09799	1.0
163.11180	2.5
163.12378	0.5
163.14867	0.6
164.04279	3.5
164.05409	0.5
177.70183	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	163.039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.3
53.03956	0.6
53.94451	0.2
55.01865	0.6
55.05532	0.3
55.28087	0.2
57.03439	3.9
57.07075	4.9
59.04988	0.2
60.11373	0.2
61.02928	0.2
61.19849	0.2
65.03942	1.5
67.05511	1.5
67.37122	0.2
68.05017	0.4
68.99788	0.7
69.03442	1.2
69.07042	0.3
69.86855	0.8
71.04997	0.4
77.03937	0.4
79.05498	3.6
80.05016	0.3
81.03409	0.3
81.04559	0.3
81.07053	0.3
83.06065	0.2
85.02898	0.7
85.06545	4.2
85.46042	0.2
89.03914	2.6
91.05482	19.7
92.05811	0.5
93.03397	0.2
93.07039	1.3
95.04966	2.9
95.06088	0.4
95.08630	0.2
99.04504	0.2
99.08071	0.2
101.06021	0.5
103.05466	3.1
103.07581	7.9
105.03403	0.3
105.04496	0.6
105.07013	1.0
106.06544	0.3
107.04957	39.2
107.08593	2.4
108.05238	1.0
109.06503	0.5
115.05480	0.6
117.03374	2.0
117.05741	0.2
117.07009	1.1
119.04944	20.0
119.08611	0.3
120.05319	0.5
120.08073	0.2
120.97829	0.2
121.01595	0.2
121.06496	0.6
121.08470	0.5
121.10113	0.6
122.07159	1.0
123.07955	0.6
125.18982	0.2
127.07550	0.5
130.06509	0.5
130.07768	0.2
131.04930	4.1
131.07080	0.2
132.08057	0.3
133.02888	0.4
133.25719	0.2
135.04419	6.8
135.08058	1.9
135.11717	0.2
136.07564	1.8
136.08694	1.0
145.02849	1.8
145.06403	0.3
145.10115	0.3
146.02342	0.2
148.05182	0.2
163.03902	100.0
163.07521	3.2
163.09767	1.7
163.11174	1.6
163.12296	0.4
163.14839	0.2
164.04262	3.5
164.07045	0.6
181.02957	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	163.0389
Annotation	4-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03945	0.8
55.05509	0.6
56.96555	0.7
65.03935	1.5
67.05499	0.3
68.99798	0.7
70.22753	1.0
79.05477	2.5
89.03927	0.4
91.05481	20.9
92.05812	0.5
93.05783	0.3
93.07035	1.2
95.04964	2.0
96.05318	0.4
100.09434	0.3
100.11272	0.7
100.85923	0.3
103.05465	0.6
105.07012	0.4
107.04954	45.9
107.08588	0.9
108.05313	1.6
108.08137	0.4
115.00472	0.3
117.03384	0.4
117.07033	0.3
119.04941	22.7
120.05289	0.7
128.01276	2.2
131.04913	0.6
135.04405	2.5
135.07994	0.4
136.07579	8.6
137.01768	6.7
137.51952	0.4
139.52080	0.6
145.10088	0.3
146.02338	1.4
148.52574	1.0
154.46402	0.3
163.03899	100.0
163.11209	0.9
163.14851	0.4
164.04236	3.9
164.07069	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	163.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11993	0.3
53.03943	0.6
55.01853	0.5
55.05491	0.5
65.03940	0.6
67.05499	0.3
67.82996	0.3
69.03423	0.4
69.61134	2.0
71.46463	0.3
75.33366	0.3
79.05495	3.3
81.03417	1.2
89.03910	5.2
90.03439	7.5
91.05483	8.4
92.04993	1.2
93.07026	0.6
95.04963	0.9
95.08607	0.4
103.05480	2.0
105.04486	0.5
105.07005	0.6
107.04958	21.2
107.08607	2.2
107.36221	0.3
115.05475	0.5
117.03378	4.9
117.04512	0.7
117.07011	1.0
118.02899	0.6
119.04945	10.5
119.08524	0.3
120.04483	2.4
121.06501	0.6
121.10162	0.5
122.07140	0.4
123.07924	0.5
130.06561	0.3
131.04936	2.7
132.08083	0.4
133.02986	0.3
135.04408	9.4
135.05461	0.6
135.08064	1.8
136.04851	0.3
136.07571	0.9
136.08635	0.6
145.02846	3.8
145.03975	8.9
145.10101	0.6
146.02371	100.0
147.02754	2.1
163.03888	50.3
163.05051	86.6
163.09784	1.4
163.11188	1.5
164.03294	0.7
164.04454	0.7
164.05397	1.8
164.07091	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	163.0754
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
50.01623	0.4
51.02390	0.5
53.03958	1.3
55.01871	14.8
55.05537	0.3
56.96577	0.3
63.02389	0.5
65.03934	4.0
66.03458	0.3
67.05504	2.3
68.05047	0.4
68.99786	0.7
69.03430	3.8
70.21338	1.3
73.45244	0.3
77.03918	0.8
79.05491	33.9
80.05025	0.4
80.05807	0.9
81.03428	1.5
81.07051	1.0
83.01340	0.6
85.02902	1.0
89.03918	12.9
90.03440	8.8
90.04249	0.4
91.05478	50.0
92.05010	0.7
92.05778	0.8
92.06272	0.9
93.03387	0.5
93.07037	4.9
95.04971	5.7
95.06109	0.6
95.08610	0.4
97.07632	0.5
103.05482	2.8
105.03423	0.4
105.04539	0.9
105.07025	14.5
106.07333	0.4
107.04953	34.6
107.08588	74.0
108.04489	0.4
108.05322	0.3
108.08913	1.5
109.05817	0.6
109.06512	8.8
109.07630	0.4
115.05455	12.6
116.06264	0.6
117.03377	8.8
117.04338	0.7
117.04567	0.8
117.05765	0.6
117.07014	14.6
118.02881	0.7
118.07347	0.5
118.86962	0.3
119.04925	13.8
119.06036	3.8
119.08550	0.8
120.04475	2.7
120.05710	1.0
120.08069	0.4
120.63553	0.3
121.02858	0.5
121.06501	1.8
121.10123	1.0
122.07138	1.5
123.07951	0.9
131.04921	3.1
132.08037	0.8
133.02817	0.5
133.06483	0.6
135.04416	22.7
135.08047	58.4
136.04738	0.8
136.07611	1.8
136.08369	1.8
139.01775	0.5
145.02805	8.0
145.03943	8.7
145.06464	1.5
145.10072	1.0
146.02365	100.0
147.02708	2.6
163.03842	78.6
163.04999	73.1
163.07452	19.3
163.09540	2.3
163.10956	2.9
163.12352	0.7
163.14806	0.4
164.04404	2.3
164.05498	1.5
164.06818	0.6
181.02913	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	163.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
54.03455	0.3
55.01857	1.1
57.03172	0.5
57.03437	8.6
57.07076	9.3
59.05003	0.7
61.02914	0.4
65.03924	1.2
67.05510	2.5
68.05003	0.5
68.99776	0.9
69.03443	2.1
69.07068	0.4
71.04971	0.8
71.48995	0.5
73.98938	0.3
76.46172	0.3
77.03903	0.4
79.05493	6.2
80.04997	0.6
81.03419	0.7
81.04532	0.7
81.07050	0.7
85.02886	1.2
85.06543	8.7
89.03915	5.9
91.05479	19.6
92.05802	0.6
93.03372	0.5
93.07053	3.9
94.06552	0.3
95.04962	5.2
95.06074	0.7
95.08602	0.5
97.07652	0.4
99.08097	0.5
101.06006	1.2
103.05465	10.3
103.07577	15.3
104.05767	0.4
104.07896	0.7
105.04501	0.8
105.07041	2.7
107.04953	35.4
107.08585	4.7
108.05269	0.9
108.08854	0.3
109.06501	0.6
109.07639	0.3
111.08098	0.3
115.05463	2.1
117.03365	4.9
117.07014	3.5
118.03551	0.5
119.04937	18.8
119.08530	0.6
120.05370	0.5
121.06472	1.3
121.10146	1.2
122.07137	1.1
123.03855	0.3
123.07977	0.7
127.07523	1.3
130.06523	0.6
130.07785	0.4
131.04924	13.6
131.07028	0.5
132.05290	0.5
132.08072	0.8
133.02834	0.4
135.04416	11.8
135.08047	4.8
135.11702	0.7
136.07570	2.9
136.08659	1.3
145.02863	3.7
145.03928	0.4
145.06461	1.0
145.10078	0.9
146.02315	0.6
146.07062	0.5
161.79146	0.3
163.03896	100.0
163.07529	11.1
163.09760	2.3
163.11177	2.5
163.12312	0.5
163.14803	1.0
164.04247	4.3
164.08043	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.38530	1.1
53.03949	6.3
55.01862	3.9
55.05499	6.0
57.03422	3.5
57.07063	1.5
65.03927	3.8
67.05492	4.0
69.03426	15.9
69.07074	6.5
71.00842	1.4
71.01160	2.5
71.04974	4.4
77.03905	2.0
79.05493	28.4
81.04519	1.7
81.06618	1.5
81.07059	25.1
82.05270	1.4
83.04961	3.6
89.03922	7.6
91.04922	2.4
91.05482	35.9
92.05796	3.2
93.07043	46.4
93.27298	1.4
93.84420	1.5
94.07346	1.9
95.04971	16.5
95.06082	3.1
95.08596	5.4
97.07655	1.8
103.04824	2.5
103.05469	39.8
104.05750	1.8
105.03404	1.9
105.04525	2.3
105.07030	37.9
106.07343	1.9
107.04960	27.1
107.06078	1.8
107.08596	58.5
107.09329	3.0
108.05567	1.9
109.06496	4.5
115.05434	3.9
117.03393	6.8
117.05302	4.0
117.07009	19.4
117.99909	1.4
118.03535	1.8
118.06583	3.4
119.04929	8.2
119.06128	2.8
119.06876	16.6
119.08594	17.3
121.06510	13.2
121.10143	51.5
122.07132	4.0
122.10407	1.4
122.32957	1.4
123.08001	2.7
129.06967	3.8
130.06812	2.2
130.07788	15.5
131.04935	31.1
132.05154	1.5
132.08041	2.6
133.06425	4.4
133.07443	1.9
133.10092	3.8
134.07219	1.3
135.04425	18.1
135.08054	10.8
135.11694	28.2
136.07576	10.3
136.08633	2.7
136.12044	2.0
143.08545	4.7
145.02829	3.4
145.04807	3.1
145.06509	2.4
145.10124	59.4
146.10495	2.7
147.08020	3.8
148.08821	4.9
163.03906	59.2
163.05887	6.7
163.07521	16.4
163.09811	7.9
163.11169	100.0
163.14832	4.4
164.04332	1.9
164.06972	1.7
164.11499	3.2
165.52313	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.01583	0.9
50.14391	0.9
50.71067	1.0
53.03942	7.1
55.01874	25.0
55.05513	13.0
56.96550	2.7
57.03440	5.8
57.07065	1.8
62.34085	0.9
63.02358	1.1
65.03947	2.1
67.05505	29.5
68.81286	0.8
69.03085	1.2
69.03427	9.7
69.07069	14.5
69.35212	8.2
71.04969	2.5
76.06877	0.9
77.03926	1.6
79.05494	72.8
80.05820	1.6
81.03421	9.5
81.07056	34.5
81.07541	1.7
83.04988	5.6
83.08600	1.2
85.06577	1.1
88.72044	1.0
89.03921	23.1
90.04234	1.1
91.05483	49.2
92.05789	1.3
93.07045	88.2
94.07385	2.2
95.04967	29.3
95.05939	1.1
95.08605	26.6
97.06530	3.2
97.07531	0.8
100.02481	5.8
103.05470	14.2
105.03363	1.3
105.04517	3.9
105.07032	49.8
106.06573	1.1
107.04957	43.5
107.08591	69.4
108.05265	1.2
108.08908	2.6
109.06526	7.0
109.33493	1.0
109.72193	0.8
115.05450	5.6
116.06237	3.5
117.03387	18.6
117.07018	51.3
118.03532	3.7
118.07294	0.8
119.04963	4.6
119.07727	1.4
119.08582	28.4
121.06509	25.2
121.10143	24.6
122.07165	1.4
123.08012	1.5
128.06232	1.8
129.07016	3.1
130.06593	2.2
130.07771	15.4
131.04916	7.5
132.08119	1.8
133.02884	3.3
133.06476	2.0
133.10135	5.7
134.07239	2.6
135.04420	44.8
135.08055	12.6
135.11697	38.6
135.12750	1.6
136.04747	1.3
136.12053	1.1
143.08539	5.1
145.02853	13.4
145.03906	2.1
145.06482	1.9
145.10123	68.9
146.10487	2.5
147.08083	1.1
163.03902	73.0
163.07581	7.1
163.11177	100.0
163.14827	8.1
164.04196	2.6
164.07021	1.5
164.11534	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	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
52.61220	0.3
53.00306	0.4
53.03943	1.9
55.01871	0.7
55.05509	13.2
55.12433	0.3
56.96581	0.8
57.03421	0.4
57.07074	5.8
65.03945	1.4
65.44288	0.3
65.60709	0.3
67.05506	4.4
69.03436	2.5
69.07067	37.3
69.43156	1.8
69.43558	0.9
70.07401	0.8
71.08623	0.5
77.03899	0.8
79.05491	20.2
80.05013	0.4
80.05815	0.5
81.03429	0.8
81.04545	0.6
81.07052	8.2
83.04974	0.4
83.08615	14.6
84.08154	0.3
85.02909	0.7
87.92751	0.4
89.03909	3.1
91.05476	19.0
92.05783	0.5
93.03429	0.3
93.07040	36.2
94.07385	1.0
95.04967	5.0
95.06046	0.4
95.08607	9.0
96.06841	0.4
97.07651	0.5
100.02457	1.3
103.05463	12.4
104.05775	0.8
105.03393	0.7
105.04523	1.1
105.07030	22.2
106.04137	0.4
106.06567	0.4
106.07885	0.6
107.04954	10.3
107.08590	92.3
108.08835	1.4
108.09502	3.3
109.06513	3.8
109.07634	0.4
109.10158	3.6
115.05412	0.8
117.03384	2.5
117.05826	0.3
117.07001	3.4
118.03529	1.3
118.06512	0.4
119.04968	2.5
119.06049	1.4
119.08579	9.8
120.05658	0.4
120.08071	0.4
120.09394	0.9
121.06525	4.4
121.10139	100.0
122.07164	1.3
122.10418	3.2
123.08064	4.5
129.07024	0.3
130.06537	1.1
130.07793	1.4
131.04924	13.7
132.05278	0.6
132.08092	1.5
133.02861	1.0
133.06525	0.7
133.07600	1.0
133.10153	1.6
134.03732	0.4
134.10902	1.4
135.04414	7.7
135.08037	3.9
135.11687	25.3
136.04785	0.5
136.07559	3.1
136.08594	0.8
136.12056	0.7
137.09589	0.6
143.08577	0.5
145.02847	1.8
145.03883	0.5
145.06435	0.7
145.10120	5.0
146.07137	0.5
147.08104	0.4
147.09233	0.6
148.08832	0.4
163.03896	25.0
163.07559	6.9
163.09770	2.1
163.11143	13.0
163.12378	0.8
163.14818	33.1
164.04216	1.3
164.07042	1.2
164.11545	0.6
164.15250	1.5
170.48094	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	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02372	0.5
52.06615	0.4
53.03951	1.9
55.05514	9.8
57.03416	0.5
57.07076	4.0
57.94128	0.4
65.03940	1.0
67.05512	2.6
67.13430	0.5
69.07070	28.1
70.07394	0.6
70.51765	1.6
71.08644	0.5
77.03951	0.6
79.05030	0.7
79.05492	14.1
81.07060	5.2
83.08116	0.5
83.08619	16.0
89.03931	1.8
91.05482	12.7
93.07046	25.7
94.07368	0.7
95.04988	2.3
95.08613	5.7
98.21483	0.5
103.05468	3.4
105.07027	16.7
105.07716	1.0
106.07906	0.5
107.04987	3.4
107.08593	82.7
108.08796	1.1
108.09511	2.7
109.06519	2.6
109.10162	1.8
115.05509	0.6
115.07634	0.4
117.03403	1.1
117.07027	1.3
119.04972	0.8
119.06082	1.0
119.08583	6.4
121.10144	100.0
122.10425	3.2
123.08070	3.0
130.07693	0.5
131.04913	1.6
133.02878	0.5
133.07622	1.1
133.10109	1.2
134.10881	0.7
135.04428	3.4
135.08101	0.9
135.11688	22.2
136.07741	0.6
136.12041	1.3
136.79918	0.5
137.70514	0.4
145.02853	0.6
145.06577	0.5
145.10152	2.0
162.89111	0.4
163.03909	8.7
163.05223	0.4
163.07550	1.3
163.09962	0.7
163.11128	2.2
163.14819	28.4
164.15195	1.3
167.58400	0.4
169.28664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Methyl benzoylformate
Peak:m/z	Relative Intensity
51.02375	1.9
51.52637	0.5
52.00821	0.5
53.00291	0.7
53.03949	9.4
53.58418	0.4
55.01857	1.3
55.05507	0.6
56.18243	0.5
63.86313	0.4
65.03929	1.5
66.04726	4.7
67.05486	1.7
69.07064	0.4
69.23627	2.9
69.24052	1.7
77.03918	5.3
78.04714	1.4
79.05496	18.0
80.47529	0.4
81.03415	1.4
81.07059	6.9
83.04972	0.7
91.05483	23.4
92.05816	0.5
93.07047	7.2
94.04197	7.0
95.04971	17.7
95.08622	2.5
96.05299	0.6
102.69791	0.4
105.03399	17.5
105.04478	4.3
105.07014	1.7
107.04942	2.0
107.08591	2.2
109.06527	10.1
109.10146	1.4
109.85855	0.5
119.01932	3.0
119.04932	0.8
119.08584	3.7
119.27567	0.5
120.08130	0.4
121.02890	3.0
121.06496	6.1
121.10131	0.9
122.03645	7.6
123.04410	2.1
123.08065	1.3
133.02861	19.6
133.03862	0.6
135.04411	5.4
137.03003	1.0
137.05984	17.2
137.09622	2.7
142.03513	1.7
147.04373	1.6
147.08047	1.0
147.11711	1.1
151.03911	1.0
165.05481	100.0
165.12782	1.9
166.05824	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	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.5
51.02367	1.4
53.00318	0.5
53.03732	0.5
53.03950	7.3
55.01861	1.4
55.05499	1.8
57.03414	1.1
65.03940	2.3
66.04720	6.2
67.05506	5.9
68.05053	0.4
69.03421	1.1
69.07062	0.9
70.06592	0.6
70.74552	0.8
77.03936	4.7
78.04707	1.6
79.05495	23.1
81.03422	4.9
81.06609	0.8
81.07061	11.0
83.04959	1.7
83.06112	0.8
91.05486	23.0
93.07041	6.8
94.04189	8.3
95.04968	20.0
95.08606	5.1
96.06806	0.4
97.06541	0.6
100.02489	0.5
101.00883	2.5
101.02540	0.5
103.05430	0.6
105.03397	16.6
105.04474	3.6
105.07036	4.7
107.04955	2.5
107.06078	0.5
107.08590	2.7
109.02898	0.8
109.06519	15.5
109.10164	3.2
117.07133	0.5
118.03528	0.4
119.01929	15.1
119.04988	0.7
119.08585	6.3
121.02903	2.6
121.06516	4.5
121.10137	3.5
122.03660	9.3
122.07230	1.6
123.04417	1.5
123.08045	2.2
123.11711	1.2
124.02438	0.5
124.08730	0.8
133.02859	15.6
133.03836	0.7
134.03181	0.6
135.04411	5.1
136.04688	0.4
137.02985	6.7
137.05980	18.9
137.09619	9.8
137.13216	0.4
138.06371	0.7
142.03499	8.2
142.96640	0.4
147.04381	1.4
147.08037	1.3
147.11682	3.1
148.08717	0.6
150.99049	0.4
151.03871	0.6
158.97870	0.4
160.04568	3.6
165.05479	100.0
165.09087	6.2
165.12747	10.4
165.14148	0.5
166.05904	2.7
181.04997	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	165.0547
Annotation	Methyl p-formylbenzoate
Peak:m/z	Relative Intensity
51.02381	2.1
52.73593	0.3
53.03946	10.7
55.01856	1.5
64.87093	0.3
65.03939	1.8
66.04723	5.7
67.05493	1.5
67.92608	0.4
69.03458	0.4
75.84261	0.4
77.03926	5.0
78.04702	0.9
79.05493	17.0
80.05803	0.4
81.03401	1.6
81.07053	5.0
91.05481	26.5
93.07037	7.0
94.04185	7.8
95.04970	18.2
95.08646	0.4
105.03396	19.1
105.04469	3.3
105.07040	0.5
107.04948	1.7
107.08576	0.7
109.05822	0.7
109.06517	9.7
119.01914	2.7
119.04947	2.0
119.08578	1.7
121.02921	1.9
121.03669	0.3
121.06506	7.0
122.03649	7.8
123.04446	2.5
133.02853	23.0
134.03128	0.4
135.04405	5.3
136.72075	0.4
137.02991	0.8
137.05983	16.8
137.09616	0.7
142.03520	1.9
147.04398	4.6
151.03970	0.7
160.04575	0.6
164.12982	0.4
165.05473	100.0
166.05785	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	165.0546
Annotation	Methyl benzoylformate
Peak:m/z	Relative Intensity
50.01572	0.4
51.02375	1.7
53.00291	0.4
53.03947	7.6
55.01852	1.3
56.96564	0.5
65.03952	1.6
66.04402	0.5
66.04724	6.3
67.05492	2.2
69.03443	0.4
69.98302	1.5
70.18237	0.3
72.55299	0.3
77.03934	5.7
77.06694	0.4
78.04702	1.2
78.32046	0.4
79.05493	18.5
81.03400	1.2
81.07050	5.7
82.11501	0.3
83.04979	0.4
91.04918	0.6
91.05482	14.3
93.07040	3.2
94.04185	8.2
95.04969	15.6
95.08594	0.8
98.21550	0.3
98.98512	0.3
101.00879	1.5
105.03394	14.1
105.04466	3.1
105.07029	0.8
106.04248	0.4
107.04945	1.7
109.02863	0.5
109.06519	10.9
109.10144	1.1
119.01928	8.5
119.08585	1.6
121.02849	2.5
121.06504	2.8
121.10147	0.6
122.03655	9.1
122.07243	0.5
123.04409	1.4
123.08076	0.5
130.28255	0.3
133.02849	14.1
135.04411	5.2
136.04738	0.4
137.02992	3.1
137.05978	16.8
137.09581	1.9
138.06366	0.4
140.10399	0.5
142.03500	5.6
147.11694	0.6
149.02319	0.5
151.03912	0.7
160.04604	2.1
165.05476	100.0
165.09091	4.2
165.12756	1.3
166.05852	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	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
53.00304	0.6
53.03950	8.3
55.01851	1.3
58.04337	0.4
65.03933	1.6
66.04723	4.8
67.05505	0.6
71.44456	1.1
71.44830	0.7
74.54616	0.5
77.03931	5.4
78.04719	1.0
79.05499	18.3
81.03429	1.2
81.07053	4.8
91.04916	1.0
91.05486	20.6
92.05806	0.7
93.07051	3.8
94.04185	8.1
95.04401	0.9
95.04974	15.8
105.03395	14.8
105.04465	3.6
107.04945	1.5
107.88508	0.5
109.05823	0.8
109.06526	10.0
121.02839	2.4
121.06525	3.8
122.03667	8.4
123.04414	1.0
133.02861	16.4
135.04404	5.4
137.05984	18.3
138.06308	0.6
165.05482	100.0
166.05811	3.0
180.52440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Methyl benzoylformate
Peak:m/z	Relative Intensity
51.02371	2.5
53.03947	13.3
55.01856	2.4
65.03930	2.1
66.04723	8.1
67.05500	1.2
69.73097	4.3
74.04541	0.6
75.19380	0.8
77.03928	6.8
78.04690	1.1
79.05492	21.3
79.42664	0.7
81.03409	1.3
81.07061	5.4
85.68018	0.7
91.05484	32.8
91.80737	0.8
92.05824	0.9
93.07051	7.6
94.03704	0.9
94.04200	8.7
95.04971	25.5
105.03398	22.9
105.04465	4.8
107.04967	1.9
109.06508	10.7
121.02857	4.2
121.06506	6.1
122.03648	10.3
123.04418	2.2
133.02850	25.5
135.04396	5.9
137.05983	18.4
137.07878	0.7
139.89722	1.0
151.03928	0.9
165.05476	100.0
166.05835	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	165.0547
Annotation	Methyl benzoylformate
Peak:m/z	Relative Intensity
50.76676	0.4
51.02367	1.7
53.03949	8.5
55.01857	1.5
55.05497	1.1
57.03404	0.4
65.03928	1.6
66.04720	6.3
67.05508	4.6
68.10872	0.4
69.03424	0.8
70.62792	0.6
70.63151	1.0
72.96241	0.4
77.03931	5.6
78.04684	0.7
79.05493	20.3
80.05841	0.5
81.03397	1.6
81.07059	6.5
83.04978	0.6
91.05478	18.0
92.05796	0.5
92.43993	0.4
92.45835	0.5
93.07038	3.6
93.17902	0.4
94.04187	7.2
95.04966	17.4
95.08605	2.2
101.00908	0.5
105.03392	16.1
105.04466	3.0
105.07030	1.0
107.04961	1.9
107.07112	0.4
107.08586	0.9
109.06516	11.1
109.10159	3.8
119.01921	1.7
119.08575	0.8
120.08096	0.6
121.02839	3.2
121.06493	3.0
121.10115	0.9
122.03649	8.1
123.04431	1.7
123.08052	1.2
123.11732	0.5
133.02849	16.9
133.03845	0.8
135.04407	5.5
137.02992	0.6
137.05986	17.2
137.09613	5.6
142.03455	0.9
151.03873	0.8
165.05473	100.0
165.12743	2.4
166.05888	2.9
174.44981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
50.01587	0.6
51.02386	1.0
53.03949	5.7
53.04188	0.6
55.01872	2.2
55.05509	3.9
56.05036	1.0
56.96564	1.1
57.03437	0.7
58.06599	0.8
65.03941	1.8
66.04720	0.8
67.05505	6.9
68.05027	2.4
69.03439	1.7
69.04530	0.6
69.07063	0.7
69.57689	0.3
70.06600	1.2
71.04987	1.8
71.07013	1.0
77.03925	1.9
79.05494	20.3
80.05025	0.8
80.05824	0.6
81.03432	3.3
81.04534	1.8
81.07056	6.8
82.06589	1.1
83.04987	2.2
83.06103	2.4
84.08143	0.7
85.07657	1.4
91.05482	64.3
92.05811	1.5
93.07043	100.0
94.04188	1.1
94.06583	0.5
94.07381	2.1
95.04969	18.5
95.06087	1.1
95.08603	4.5
97.02900	0.6
97.07658	1.5
98.07174	1.4
101.00867	3.3
103.05481	2.7
103.58739	0.4
104.06277	0.9
105.03396	3.4
105.04528	3.5
105.06320	0.7
105.07031	13.2
106.07814	0.6
107.04961	1.4
107.06066	1.8
107.08589	1.9
108.05658	0.4
109.02871	0.4
109.06517	5.8
109.07642	2.4
109.10168	3.9
110.06051	0.5
110.07168	0.5
110.09663	0.7
111.09190	0.4
117.07023	4.9
119.01924	26.2
119.04945	13.4
119.05813	0.5
119.08579	29.4
120.02029	1.3
120.05314	0.6
120.08102	2.6
120.08874	0.8
121.02882	0.4
121.06499	1.8
121.07618	1.3
121.10160	4.9
122.03655	1.9
122.07207	2.0
123.04436	2.7
123.08083	4.5
124.08706	2.6
125.09505	1.7
128.06215	0.4
129.07030	0.5
132.05693	0.8
133.02856	3.7
135.04469	1.1
135.08084	2.1
136.11211	0.5
137.02968	12.9
137.05980	14.1
137.09584	5.6
138.02907	0.6
138.06401	0.5
138.09177	0.8
138.10252	1.0
142.03503	14.5
142.96686	0.9
143.03639	0.7
147.03258	0.8
147.04411	13.4
147.08047	8.4
147.08948	0.3
148.04826	0.8
148.07529	1.2
148.08679	2.9
160.04556	7.0
161.01265	0.5
165.01869	0.8
165.05487	22.0
165.07765	0.9
165.09111	22.9
165.11244	3.9
165.12740	0.7
165.13885	4.3
166.05939	0.8
166.08444	1.7
166.09796	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	165.0911
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
50.01615	0.6
51.02384	1.2
53.03947	7.0
55.01870	3.8
55.05510	4.7
56.05029	1.8
56.96563	1.2
57.03429	1.4
58.06581	0.6
59.04979	0.5
59.06118	0.7
65.03941	4.2
65.31493	0.4
66.04729	1.1
67.05503	14.4
68.05025	2.6
69.03426	3.5
69.04556	0.5
69.07058	1.5
70.06590	2.0
70.88781	0.7
70.89116	0.7
71.05004	1.4
77.03915	3.1
79.05492	28.6
80.05019	1.0
80.05830	0.8
80.06285	0.7
81.03429	3.4
81.04537	1.4
81.07056	10.3
82.06590	1.5
83.04988	2.2
83.06105	3.2
85.07675	0.9
91.05482	100.0
92.05830	2.9
93.03385	0.8
93.07043	88.0
94.04205	2.3
94.07388	1.9
95.04967	28.7
95.08603	8.0
97.06516	0.6
97.07679	0.7
98.07213	1.0
99.04442	1.1
101.00855	2.5
103.05466	5.8
103.56349	0.5
104.06277	1.3
105.03405	6.6
105.04505	3.9
105.06322	0.9
105.07034	17.8
106.07844	1.0
107.04961	3.1
107.06093	2.2
107.08617	3.9
108.05697	0.7
109.02877	0.8
109.06519	8.8
109.07645	2.0
109.10154	7.9
110.07185	0.8
110.10470	0.7
111.04449	0.8
111.09195	0.7
115.05453	0.7
117.07027	8.4
119.01928	25.1
119.04942	37.3
119.08581	59.2
120.02034	1.2
120.05328	0.9
120.08125	12.3
120.08931	1.8
121.02866	1.0
121.06516	5.4
121.07488	0.8
121.10140	6.1
122.03664	3.0
122.07180	2.7
123.04445	8.4
123.08064	5.7
124.04977	0.6
124.08724	2.8
125.09499	1.7
128.06180	0.7
129.07016	1.7
132.05707	0.6
133.02827	5.4
133.06502	0.9
135.04451	2.0
135.08067	2.8
136.07663	0.6
137.02974	11.4
137.05981	16.3
137.07965	3.8
137.09608	11.1
138.06435	0.7
138.10156	1.2
142.03494	15.3
142.96736	0.6
143.03629	0.6
147.04410	58.9
147.08043	15.5
147.11731	0.5
148.04744	2.9
148.08617	2.7
160.04543	6.1
165.01816	0.8
165.05490	34.7
165.07671	1.8
165.09111	40.3
165.11403	4.1
165.12799	1.9
166.06020	0.7
166.09590	1.8
181.04922	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	165.0911
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
51.02380	1.1
53.03942	4.9
54.03481	0.4
55.01870	1.6
55.05512	3.5
56.05038	1.0
56.96578	0.8
57.03438	0.4
60.40796	0.3
65.03948	1.5
67.05504	5.1
68.05029	1.4
69.03432	0.8
69.04544	0.4
69.96156	1.1
69.96558	0.6
70.06596	1.1
71.04988	1.7
73.16309	0.4
77.03928	1.4
79.05493	16.5
80.05023	0.8
80.05840	0.6
81.03410	1.4
81.04539	1.0
81.07056	4.4
82.06559	0.7
82.99882	0.4
83.04982	1.7
83.06107	2.0
85.07670	0.9
87.04475	0.4
91.05481	55.6
92.05811	1.7
93.07043	100.0
94.04189	0.6
94.06550	0.5
94.07378	2.5
95.04966	16.0
95.06056	0.7
95.08609	2.9
97.07657	0.6
98.07217	0.7
98.20873	0.5
99.04523	0.4
101.00890	2.5
101.92722	0.4
103.05457	2.6
104.06269	0.8
105.03397	1.7
105.04522	2.5
105.07034	12.7
106.07817	0.8
107.04956	1.3
107.06098	1.3
107.08593	1.5
108.06889	0.4
109.02912	0.4
109.06512	2.8
109.07648	1.6
109.10136	3.7
111.09201	0.7
117.07014	4.8
118.03529	0.5
118.21665	0.3
119.01924	17.8
119.04942	9.7
119.05807	0.6
119.08582	30.2
120.02012	1.1
120.08111	1.3
120.08895	0.8
121.06489	1.6
121.07626	0.9
121.10133	4.4
122.07184	1.1
123.04425	2.7
123.08073	3.4
124.02460	0.7
124.08721	1.9
125.09505	0.9
129.07050	0.7
133.02872	1.5
133.06480	0.8
135.04410	0.6
135.08064	2.5
137.02013	0.6
137.02985	7.7
137.05980	12.4
137.06902	0.5
137.09607	5.8
138.03099	0.6
138.06503	0.5
138.09154	0.5
138.10196	0.8
139.08733	0.4
139.52043	0.3
142.03499	9.7
142.96596	0.4
143.03700	0.5
147.04405	7.9
147.08044	9.0
148.04858	0.4
148.08669	1.5
160.04567	4.7
165.01849	0.6
165.04190	0.7
165.05490	8.4
165.09114	21.0
165.11252	3.5
165.12659	0.6
165.13898	0.8
166.06093	0.5
166.08458	0.6
166.09749	0.7
167.26387	0.4
180.31232	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	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02376	2.2
53.03946	9.7
55.01860	2.7
55.05513	6.4
57.03431	5.3
57.07071	5.4
59.04982	2.8
65.03943	3.8
66.04721	6.1
67.05145	1.7
67.05506	34.1
68.05853	0.7
69.03426	8.3
69.07070	10.3
70.93918	1.4
70.94236	0.9
71.04984	1.9
73.82986	0.8
77.03928	4.9
79.05495	29.7
80.05826	1.1
81.03424	4.1
81.07056	34.5
83.04980	3.6
83.08595	3.1
84.60741	0.8
85.06561	1.1
90.79636	0.8
91.05482	39.0
92.05834	1.1
93.07047	13.5
94.04179	9.3
95.04970	66.5
95.08606	28.1
97.06509	1.5
101.00876	1.0
103.05471	0.9
105.02746	1.2
105.03394	17.3
105.04508	3.6
105.07039	18.1
107.04964	7.6
107.08593	42.8
108.05779	1.8
108.08907	1.5
109.06522	39.9
109.10147	4.8
110.07359	1.9
115.47758	0.7
117.07038	5.0
119.01935	8.3
119.08582	42.6
120.08113	1.5
120.08907	1.1
121.02871	2.9
121.06501	7.0
121.10145	9.1
122.03625	8.6
122.07276	1.5
123.04433	2.6
123.08068	39.7
123.08971	1.9
123.11703	29.4
124.12081	0.9
127.07427	0.9
129.06903	1.0
132.05719	3.9
133.02861	19.5
135.04414	6.6
135.11708	1.0
137.02995	3.9
137.05969	18.5
137.07883	0.8
137.09636	6.5
137.12312	1.1
137.13246	6.9
141.09090	1.1
142.03519	4.5
147.04401	3.1
147.08051	20.8
147.11700	10.9
148.08583	1.1
151.03934	0.9
160.04564	2.1
165.05481	100.0
165.09122	8.6
165.12755	92.1
166.05823	3.7
166.13074	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02383	1.3
53.03944	8.0
54.93715	0.6
55.05523	3.3
55.31556	0.6
57.03421	0.9
57.07079	3.4
59.05005	1.4
62.02186	0.6
63.43214	0.6
65.03938	1.3
66.04700	1.0
67.05504	10.5
69.03432	22.8
69.07071	6.2
69.41888	6.1
71.04970	0.9
77.03903	1.5
79.05495	10.2
81.03421	22.8
81.07057	18.7
83.04974	3.2
83.08639	0.8
83.20381	0.7
91.05487	10.7
92.05820	0.7
93.07047	5.6
94.04178	1.8
95.04395	1.1
95.04971	15.9
95.08611	17.4
97.06518	1.1
98.20846	1.0
101.00871	1.1
103.05464	0.8
105.03387	3.9
105.04494	1.1
105.07040	8.7
107.04955	1.3
107.08591	6.3
108.05733	0.8
109.06519	20.4
109.10146	2.6
110.07304	2.6
111.08102	1.0
119.01931	7.1
119.08589	10.0
120.17595	0.7
121.06492	1.1
121.10130	5.9
122.03674	1.7
122.07259	2.0
123.08070	19.0
123.10849	1.0
123.11702	12.5
133.02840	4.9
135.04413	0.8
136.07581	0.9
137.02988	2.3
137.05983	4.2
137.07959	5.0
137.09621	5.4
137.13251	2.7
142.03513	5.7
147.11671	5.6
150.10313	0.9
160.04498	1.4
160.27562	0.6
165.05486	23.5
165.09085	1.9
165.12756	100.0
166.05769	0.9
166.13045	2.9
170.06529	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	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.88774	0.7
51.02370	1.8
53.03946	8.9
53.65192	0.7
54.60724	0.9
55.01854	2.7
55.05505	5.3
57.03422	3.2
57.07069	1.7
57.27402	0.8
58.41126	0.8
65.03925	3.1
66.04728	5.9
67.05502	12.0
69.03424	2.4
69.06706	0.9
69.07053	4.9
71.08627	1.1
77.03915	6.5
78.04693	1.1
79.05495	26.2
81.03404	2.3
81.07055	22.6
83.04985	3.9
83.06086	0.8
83.08608	1.3
83.29761	1.0
91.05483	29.3
93.07043	16.6
94.04187	8.9
95.04971	24.0
95.08605	12.3
97.06522	1.6
101.00876	3.0
103.05482	2.0
105.02746	1.5
105.03400	20.0
105.04490	4.0
105.07024	13.2
107.04950	4.0
107.08595	12.2
109.02838	1.7
109.06519	29.9
109.10162	12.0
119.01920	20.2
119.04941	2.1
119.08581	20.0
120.08867	1.1
121.02834	2.9
121.06509	5.9
121.10146	20.6
122.03671	9.5
122.07281	9.4
123.04414	2.5
123.08076	11.5
123.11722	5.4
124.02368	1.2
124.08684	1.0
133.02863	17.8
133.03867	1.1
135.04424	4.6
135.08046	2.0
137.03003	8.0
137.05986	19.9
137.09616	86.6
137.13239	2.0
138.09988	2.2
142.03502	12.9
147.04373	4.6
147.08051	1.9
147.11678	8.6
148.08676	1.1
150.10397	3.4
151.03955	1.5
160.04523	4.8
165.05476	100.0
165.09062	8.5
165.11482	1.7
165.12746	37.9
166.05873	4.2
166.13129	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	166.0863
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02391	0.1
53.03937	0.1
56.89124	0.1
56.96569	0.2
58.58628	0.1
61.47295	0.1
66.53738	0.1
71.06882	0.3
79.05489	1.3
91.05463	0.7
93.07049	2.4
95.04962	0.3
103.05465	10.5
104.05806	0.3
107.04965	2.0
107.42951	0.1
118.06541	0.2
119.07297	0.2
120.08102	100.0
121.08446	3.0
131.04922	2.6
149.05977	0.5
152.32768	0.1
166.08640	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	166.0864
Annotation	D-Phenylalanine
Peak:m/z	Relative Intensity
52.61048	0.4
53.03938	2.6
55.01851	2.0
55.02092	0.5
55.05513	5.4
55.82708	0.4
56.05015	1.4
56.96315	0.5
56.96565	6.6
57.03421	0.6
59.04980	0.5
61.02871	0.5
65.03937	2.5
67.05499	5.2
68.05016	1.9
68.99777	1.3
69.03431	4.3
69.07072	2.2
69.64469	3.2
70.06581	1.5
71.04974	0.7
72.08145	0.6
73.02914	0.8
78.04701	3.4
79.05492	10.7
80.05010	2.7
80.05807	1.3
81.03416	1.1
81.04539	0.9
81.05785	0.8
81.07062	4.3
82.06585	5.2
82.07360	0.8
83.04990	4.5
83.06105	2.2
83.08595	1.8
84.08138	1.1
84.96013	0.6
85.02883	1.9
91.05479	11.2
92.05000	0.8
92.05821	2.8
93.03401	1.1
93.05791	2.4
93.07041	19.2
94.06551	7.5
94.07359	1.5
95.04968	7.4
95.06071	1.3
95.06851	0.6
95.07356	5.7
95.08608	2.5
95.63878	0.4
96.04472	0.7
96.05287	0.6
96.07568	0.7
96.08126	6.5
97.02887	7.3
97.06531	2.6
97.07639	1.4
97.08336	0.5
98.20731	0.5
98.97573	1.7
103.05465	6.1
105.03380	1.2
105.04507	1.5
105.07022	2.0
106.04182	1.1
106.06562	0.8
106.07349	0.9
107.04956	3.4
107.06087	0.9
107.07267	0.7
107.08601	3.2
108.04494	2.9
108.08117	16.3
109.06492	2.0
109.07671	4.3
109.08904	4.4
109.10127	0.8
110.05318	0.8
110.06047	14.3
110.06782	0.7
110.08421	1.2
110.09684	13.9
111.04401	1.5
111.05558	0.7
111.08033	1.6
111.09199	1.8
116.98563	1.1
117.25217	0.5
118.06524	0.7
119.01877	2.6
119.08641	0.5
120.02017	5.3
120.04498	0.7
120.05219	2.5
120.08102	48.5
120.08868	1.8
121.01662	1.8
121.02876	4.4
121.05688	0.9
121.06506	11.8
121.07586	1.5
121.08436	1.4
121.10157	2.8
121.33975	0.5
122.03652	0.7
122.06002	2.9
122.06898	1.0
123.04426	6.2
123.06781	1.8
123.08073	1.5
123.09152	1.0
124.03925	0.8
124.05190	1.7
124.07576	2.5
124.08699	3.7
125.02359	6.5
125.06018	0.8
125.07074	1.1
125.09657	0.7
126.07888	0.8
128.02328	1.0
130.06497	0.8
131.04918	0.9
131.08545	0.6
133.02805	0.6
134.99637	1.0
135.04396	0.7
136.07579	11.1
136.08582	0.7
137.02992	0.8
137.06023	1.0
137.08360	22.8
138.03101	2.9
138.05432	1.8
138.06352	1.0
138.09143	9.9
138.10101	0.8
139.02670	1.2
139.03821	0.8
139.07529	1.0
139.08601	1.0
139.11183	0.8
142.03441	0.5
142.96683	2.3
143.03593	3.9
143.04515	0.4
143.08649	1.1
144.03250	1.5
148.04745	2.1
148.07550	4.7
148.08661	2.0
149.02322	1.0
149.05981	9.1
149.07063	0.9
149.09644	1.0
150.10260	2.1
151.03839	1.3
151.06310	1.1
151.07530	0.5
152.04694	2.6
154.59506	0.5
157.36632	0.4
158.99666	0.5
161.01196	1.4
161.04689	2.1
162.04262	0.7
165.07855	1.0
166.04942	2.7
166.08623	100.0
167.03429	2.8
167.07034	54.0
167.09169	3.0
167.10641	1.9
167.12918	0.6
167.14270	1.5
175.06459	0.8
177.00691	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	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02367	0.4
52.03153	0.3
53.03964	1.1
55.01860	0.9
55.05495	1.0
56.05037	0.2
56.96555	0.9
57.03433	0.3
59.06110	0.5
65.03935	0.5
66.04710	0.6
67.05513	1.1
68.05012	0.4
68.99778	0.8
69.03423	1.1
69.07063	0.4
70.06568	0.3
71.04980	0.3
71.24907	0.5
77.03924	0.6
78.04709	12.3
79.05035	0.6
79.05487	7.7
81.03400	0.9
81.04543	0.3
81.07059	2.0
82.06574	0.3
83.04960	0.9
83.06078	0.5
84.04479	0.2
84.96029	0.3
85.02917	1.2
85.07690	0.2
91.05470	4.9
93.03390	0.6
93.07045	7.5
94.04180	0.5
95.04971	4.0
95.08587	0.7
96.05725	0.9
97.02880	1.1
97.06522	0.9
100.33270	0.2
103.05489	0.7
105.03409	1.1
105.04487	0.5
105.07020	0.8
106.04165	4.9
107.04972	1.9
107.08588	1.6
108.02034	0.2
108.05704	0.2
109.02869	0.9
109.06504	0.7
109.07640	1.5
110.03665	0.2
110.06035	0.2
110.08414	0.7
111.04449	0.7
111.08040	0.6
111.09171	0.5
119.01763	0.3
119.05993	0.2
120.02034	0.3
121.01673	0.7
121.02856	0.9
121.06499	5.3
121.10126	1.0
122.03639	1.1
122.06977	0.3
123.04424	20.7
123.08022	0.3
124.05230	6.3
124.08734	0.3
125.02346	0.6
125.09612	0.2
126.06630	0.5
131.08597	0.3
134.03613	1.1
134.99660	0.3
135.04410	0.8
135.08055	0.3
137.02429	0.3
137.05971	0.8
137.08257	0.3
138.03114	0.3
139.03862	0.6
139.07518	0.7
144.03215	0.5
149.02330	0.4
149.05997	1.6
149.09616	0.5
150.10260	1.1
151.03883	4.0
152.04689	4.7
153.05113	0.4
161.04836	0.2
162.76918	0.2
167.07028	100.0
168.04173	0.8
168.07399	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	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02365	0.4
53.03933	1.1
55.01870	0.7
55.05509	2.0
56.05030	0.7
56.96582	1.5
57.03436	0.3
59.06108	0.5
60.73595	0.3
65.03937	1.2
65.82821	0.3
66.04701	1.1
67.05505	1.8
68.05028	0.9
68.16129	0.3
69.03413	1.1
69.04548	0.3
69.07069	4.8
70.06583	1.4
70.13956	1.6
71.04984	0.4
71.06088	0.3
72.08135	0.6
78.04716	15.9
79.01857	0.3
79.05084	0.4
79.05494	5.9
80.05005	0.5
81.03421	1.5
81.04550	0.5
81.07063	1.6
82.04153	0.4
82.06569	1.1
83.04974	2.1
83.06093	0.9
83.08604	0.7
83.61119	0.3
84.04512	0.4
84.08156	0.4
85.02882	0.7
85.07658	0.5
91.05476	1.9
93.03403	1.1
93.07056	2.4
94.04173	0.8
94.06569	0.5
95.04974	3.5
95.06059	0.7
95.08584	0.5
96.05740	0.8
97.02902	0.9
97.06509	1.2
97.07658	0.4
98.97565	0.5
99.09247	0.4
105.03382	1.6
105.04489	0.5
105.07034	0.4
106.04177	5.7
107.04973	2.7
107.06033	0.4
107.08598	1.6
109.02910	2.0
109.06486	1.0
109.07655	2.5
110.07227	0.5
110.08406	1.0
111.04440	1.6
111.08053	0.6
111.09209	1.9
112.07601	0.9
119.08652	0.4
120.01991	0.3
121.01651	2.9
121.02885	0.6
121.06529	1.9
121.07645	0.3
121.08419	1.6
121.10135	1.0
122.03637	1.5
122.06054	0.4
122.07153	0.7
123.04433	27.5
123.08067	0.6
123.09172	0.9
124.05243	8.4
124.08701	1.1
125.06013	0.6
125.09595	0.5
126.10294	0.4
127.03894	0.4
134.03627	2.0
135.04411	1.0
137.02309	0.6
137.05997	1.3
138.03043	0.7
139.02673	1.1
139.03793	0.4
139.07535	0.8
140.07071	2.0
140.66530	0.3
141.05513	0.3
144.03220	1.9
149.02336	1.3
149.05945	0.5
149.09605	0.6
150.03036	0.4
150.05479	0.4
150.10236	2.5
151.03914	5.1
152.04681	6.0
162.04329	1.0
167.03424	2.5
167.07042	100.0
167.12935	1.0
168.04195	0.8
168.07442	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	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02369	0.6
53.00309	0.4
53.03941	3.5
53.27781	0.4
55.01860	1.8
55.05514	11.6
56.96560	2.8
57.03435	0.7
57.07053	1.8
57.37159	0.4
59.04998	3.2
64.22419	0.4
65.03934	1.6
66.04710	0.7
67.05505	7.5
69.03433	3.1
69.07068	41.3
69.47807	0.4
70.07401	0.5
70.26060	1.6
70.26457	0.7
71.04973	1.1
77.03929	0.9
78.04709	3.1
79.01839	0.8
79.05492	29.3
81.03408	2.6
81.07054	13.6
82.07381	0.5
83.04977	5.0
83.08616	3.1
84.96041	4.4
85.02897	0.5
85.06528	0.5
91.05476	14.9
93.03362	0.6
93.07041	79.1
94.07363	2.0
95.04967	8.3
95.08604	12.0
97.06534	8.0
97.10158	1.3
98.06049	1.0
100.11245	0.5
102.97063	1.0
103.00638	0.7
103.05478	2.5
105.04524	1.5
105.07025	20.0
106.04150	1.2
106.07852	0.9
107.04951	6.3
107.08595	7.1
108.05768	0.5
109.02875	0.8
109.06521	2.2
109.10149	1.3
111.04454	2.9
111.08080	1.7
111.11714	7.6
119.08567	4.4
120.03194	0.6
121.01665	6.9
121.02571	0.6
121.02917	0.9
121.06521	2.2
121.10141	100.0
122.10487	2.6
123.04439	5.9
123.08056	7.3
123.11689	0.9
124.05289	2.2
125.05956	1.0
125.08221	0.5
125.09611	1.0
126.06555	0.5
131.08563	0.7
133.07622	1.8
135.03476	0.5
135.04420	1.2
137.02382	0.5
139.02698	4.2
139.03766	0.7
139.06534	0.4
139.07558	1.4
139.08609	0.6
139.11176	3.7
144.03209	3.7
149.02348	0.7
149.06027	1.4
149.08424	1.0
149.09618	15.8
149.13232	0.4
151.03918	0.7
152.04677	1.8
162.04324	1.6
167.03452	2.9
167.05931	1.0
167.07065	27.3
167.08427	1.7
167.10669	31.6
167.14349	0.9
168.07455	0.5
168.11092	0.7
181.10231	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	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.00309	0.6
53.03947	2.7
54.03463	0.6
55.01876	2.6
55.05511	24.5
56.05022	1.5
56.05832	0.6
56.96313	0.5
56.96566	8.9
57.03427	1.5
57.07066	1.3
59.04999	2.5
59.06114	1.9
61.02946	0.4
65.03931	2.6
66.04722	1.0
67.05507	7.6
68.05025	2.1
68.99769	0.6
69.03428	12.6
69.04538	0.5
69.07069	5.7
70.06580	1.3
70.83685	0.3
70.84024	0.9
71.04979	1.4
71.08653	0.4
72.01237	0.4
72.04501	0.3
72.08146	0.8
73.02915	2.0
73.06547	0.4
77.00777	0.3
77.03925	0.6
78.04710	15.0
79.01842	0.7
79.05493	13.3
80.04997	0.4
80.05807	0.5
81.03423	2.2
81.04548	1.0
81.07056	6.8
82.04197	0.4
82.06573	2.2
83.04980	23.1
83.06062	2.0
83.08622	10.3
83.09121	0.3
84.04510	0.4
84.05305	0.4
84.08134	1.3
84.08957	0.4
84.96024	1.0
85.02915	2.6
85.06540	2.4
85.07657	1.0
86.06070	0.7
90.01560	0.6
91.05482	4.9
93.03394	1.5
93.07041	8.7
94.04187	1.4
94.06568	1.0
94.07390	0.4
95.04969	6.6
95.06062	0.8
95.08606	3.7
96.05731	1.1
96.06874	0.7
97.02889	16.7
97.06544	3.1
97.07644	1.6
97.10153	2.6
98.03233	0.4
98.09682	0.4
98.97580	3.0
99.04404	0.5
99.05576	0.5
99.09245	0.4
103.00646	0.5
103.05479	1.1
104.01274	0.3
105.03371	1.3
105.04482	0.5
105.07037	2.4
106.04164	5.9
107.04317	0.5
107.04964	5.8
107.06051	0.5
107.08588	9.0
108.04491	0.7
109.02880	2.4
109.06532	2.2
109.07641	6.5
109.10154	5.3
110.01220	0.4
110.07151	1.4
110.08433	3.1
111.04455	2.7
111.08083	6.9
111.09199	3.4
112.08842	2.1
113.09650	0.9
116.98642	1.8
119.01826	0.9
119.04915	0.5
121.01687	2.7
121.02862	19.0
121.06498	4.8
121.08440	1.1
121.10135	6.5
122.03613	1.5
122.06053	0.3
122.07145	2.0
123.04430	28.2
123.08071	1.7
123.09176	1.4
123.11712	2.2
124.05238	8.8
124.08705	1.4
125.02354	14.8
125.05967	1.4
125.07086	0.8
125.08217	1.2
125.09634	3.9
126.02674	0.4
126.06563	0.7
126.10292	0.8
127.07449	0.4
128.02333	1.3
128.98590	0.5
131.08556	1.3
133.07642	0.5
134.03630	1.2
134.99651	1.3
135.04434	1.8
135.08037	0.8
137.02388	0.6
137.05951	1.3
137.08232	0.6
138.03033	0.5
138.06645	0.4
139.02693	2.0
139.03854	0.9
139.07535	1.4
139.11200	0.6
140.07063	0.4
140.11850	0.5
143.58748	0.8
144.03278	2.1
146.99695	0.7
149.02341	1.5
149.05977	9.7
149.08337	0.4
149.09642	2.1
149.13280	1.8
150.06514	1.1
150.10263	6.4
151.03891	4.4
152.04694	6.3
155.59438	0.4
161.04858	1.2
162.04349	0.9
167.03418	4.0
167.07037	100.0
167.10645	3.1
167.12921	2.1
167.14313	8.1
168.04144	0.9
168.07486	4.5
168.11287	1.0
177.00671	0.8
179.05945	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.02369	1.2
53.00282	0.8
53.03955	5.5
55.01885	5.0
55.05512	100.0
56.05022	1.6
56.05837	2.2
56.96557	1.6
57.03444	4.9
57.07066	4.1
59.05001	10.1
59.06116	2.2
61.44232	0.8
65.03927	3.3
66.89216	0.8
67.05506	23.4
67.13571	0.7
68.05017	2.2
68.99796	1.3
69.03429	23.1
69.07072	13.9
70.06592	4.8
71.01333	2.2
71.05002	5.1
71.48479	1.2
72.08145	1.1
77.03940	1.3
78.04717	7.0
79.01848	1.2
79.05497	21.4
80.05041	1.0
80.05860	1.0
81.03399	2.3
81.04525	1.0
81.06604	1.4
81.07056	19.3
82.06573	2.6
83.04981	97.3
83.06045	2.5
83.08619	45.1
84.05293	1.4
84.08132	1.8
85.02893	8.1
85.06541	9.9
85.07658	1.2
91.05477	11.0
93.07043	26.7
94.06564	1.5
95.04967	11.4
95.06058	1.3
95.08607	11.8
96.05746	0.9
97.02887	1.5
97.06526	11.4
97.07571	1.7
97.10171	13.7
98.06060	0.9
98.07211	0.9
98.97607	3.6
99.08077	2.1
103.05472	1.2
105.04495	1.1
105.07038	7.6
106.04156	2.7
107.04951	7.2
107.08594	28.7
108.04493	1.5
108.05708	1.3
108.08929	1.6
108.74098	0.8
109.02902	1.6
109.06512	7.4
109.07624	7.8
109.10158	24.0
110.07185	1.2
110.08424	3.7
111.04452	4.0
111.08083	34.4
111.09232	3.4
111.59613	0.7
112.08883	7.8
113.09631	2.4
116.98619	3.5
119.08541	1.0
121.01670	4.1
121.02863	0.9
121.06506	19.2
121.08408	1.4
121.10149	26.0
122.06017	1.3
122.07113	2.7
122.10506	1.3
123.04429	14.5
123.08053	3.5
123.08953	0.8
123.11698	8.4
124.05246	4.4
124.08713	1.6
124.12077	0.9
125.05958	2.7
125.06899	0.8
125.08204	1.0
125.09634	19.2
126.10365	1.1
127.11018	1.1
131.08531	1.3
133.07578	1.2
134.03566	1.2
135.04468	3.6
135.08031	1.5
137.05998	1.7
139.02715	2.2
139.03850	1.4
139.07547	4.0
139.11174	2.0
140.08211	0.8
144.03235	2.5
149.02330	1.8
149.06046	5.0
149.09621	5.2
149.13243	6.0
150.10275	7.7
151.03900	2.4
152.04681	2.7
158.56964	0.8
158.99678	1.1
159.29738	0.8
162.04343	1.5
162.96933	1.0
167.03421	3.9
167.07040	60.4
167.09315	2.4
167.10635	6.5
167.12981	2.8
167.14304	39.1
168.07413	3.1
168.10114	1.8
168.11394	1.1
168.14638	2.4
177.00739	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00294	2.0
53.03932	5.0
54.93664	1.1
55.01861	2.4
55.05513	21.7
56.96554	2.7
57.03441	2.0
57.07064	3.4
58.84627	1.0
59.04993	3.6
65.03925	3.6
67.05508	34.1
68.02629	1.5
69.03426	4.5
69.07069	19.2
69.23566	7.3
69.23989	4.1
69.36124	1.0
71.01333	1.1
71.04613	2.1
71.04994	36.1
73.06560	18.2
75.66951	0.9
78.04696	7.5
79.01843	1.3
79.05492	41.4
81.03407	2.8
81.07057	30.3
83.04975	7.6
83.08628	7.7
84.96034	6.2
85.06528	3.6
87.08123	1.6
89.33321	1.1
91.05470	12.4
93.03413	1.5
93.07047	43.2
94.04153	1.3
95.04957	10.6
95.08607	100.0
96.08923	3.1
97.02861	1.5
97.06532	8.2
97.10155	1.3
105.04516	2.2
105.07025	6.4
105.81197	1.1
106.04187	2.6
107.04951	12.0
107.08590	47.4
108.08914	2.1
109.02882	3.0
109.06492	3.6
109.07654	1.5
109.10157	21.7
110.10475	1.1
111.04439	4.4
111.08054	5.8
119.08611	1.5
121.01662	7.2
121.02874	2.4
121.06511	4.6
121.10147	27.2
122.09689	1.5
123.04436	14.2
123.08037	2.9
123.11711	5.6
124.05221	6.3
125.06017	2.0
125.09621	3.8
131.08626	1.7
133.07820	1.0
135.04379	1.6
137.05939	1.2
139.02727	4.6
139.07614	1.2
139.11185	1.4
144.03212	5.8
149.02339	3.9
149.05991	3.2
149.09631	3.0
149.13268	24.3
151.03943	2.2
152.04692	2.7
162.04379	2.5
167.03362	8.1
167.07051	60.7
167.10695	4.6
167.14308	11.6
168.07404	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	168.0656
Annotation	Myrothenone A
Peak:m/z	Relative Intensity
53.03952	0.8
54.03463	0.4
55.01868	1.3
55.05516	1.3
56.05030	1.4
56.96565	4.1
57.03455	0.4
58.06601	0.8
59.06122	0.7
60.04525	0.3
65.03941	0.4
65.06855	0.2
65.44193	0.2
67.05502	4.2
67.05843	0.3
68.05035	1.7
69.03431	1.3
69.07066	100.0
69.91219	0.7
69.91611	0.5
70.06590	16.1
70.07384	1.6
71.05011	0.4
71.06907	0.4
72.04512	0.4
72.08151	0.7
72.93781	0.3
73.02924	0.4
79.05089	0.4
79.05493	1.6
80.05019	1.0
80.05827	0.4
81.03428	2.0
81.04525	0.7
81.06308	0.2
81.07072	1.2
82.06586	1.4
82.94852	0.5
83.04974	0.9
83.06104	1.2
83.08553	0.3
84.04509	1.1
84.08134	1.5
84.96037	0.3
85.02888	1.1
85.07661	0.5
86.06071	0.7
90.94810	0.3
91.05524	0.3
93.07059	0.4
94.06557	1.6
95.04969	8.6
95.06077	1.0
95.08596	0.6
96.04488	0.8
96.08121	0.8
97.02879	1.1
97.05363	0.2
97.06535	6.0
97.07619	2.0
98.06045	1.0
98.97620	0.4
99.04413	0.4
99.09192	0.2
102.94846	0.5
103.95680	0.3
105.07024	0.4
106.06532	0.3
107.04927	0.3
107.06054	0.3
108.04474	0.6
108.06870	0.3
108.08102	0.4
108.08862	0.3
109.02876	2.5
109.06483	0.8
109.07640	4.3
109.10119	0.3
110.01296	0.4
110.06036	1.0
110.07191	0.5
110.07838	0.3
110.08457	0.3
111.00746	0.4
111.04425	0.7
111.05548	0.5
111.08062	0.3
111.09220	1.6
112.03944	0.3
112.07601	18.5
113.06003	0.3
113.07140	0.3
113.07906	0.6
116.98642	0.5
119.01820	0.8
121.01630	0.4
122.06015	2.1
122.06865	0.4
122.09663	0.3
123.03758	0.3
123.04449	3.2
123.05444	0.5
123.08012	0.8
123.09181	1.4
124.04803	0.3
124.07546	0.7
124.08624	0.5
125.07083	1.1
126.03052	0.3
126.05483	0.9
126.06559	0.7
126.10248	0.7
127.03879	1.1
127.04897	0.3
127.08642	0.7
128.02330	1.2
128.09428	0.4
133.02730	0.3
134.99612	0.4
138.10245	0.4
140.07060	47.4
141.04431	0.3
141.05469	3.8
141.07344	1.0
141.10167	0.5
144.95802	0.5
145.03473	0.5
147.03233	0.4
150.05429	1.0
150.06503	0.5
150.10205	1.0
151.03847	0.4
151.07556	0.4
151.08653	1.6
151.10583	0.4
152.11864	0.3
162.96941	0.5
162.99084	0.8
168.06468	9.0
168.11317	3.8
169.04730	0.8
169.09662	0.4
169.10890	0.3
171.87721	0.3
177.00659	0.4
178.04837	0.3
181.00140	0.3
181.98732	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	171.1166
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
51.02373	0.4
55.01856	0.3
55.05507	1.2
57.52824	0.3
67.05492	0.6
69.07066	0.4
69.28042	0.5
69.28451	2.5
71.05000	0.3
72.04525	1.7
79.05486	1.7
83.05007	0.4
83.08606	0.6
86.09715	0.8
89.07142	1.2
91.05477	1.3
93.07039	0.5
97.06504	0.6
103.05450	0.4
105.07016	2.0
107.86811	0.3
109.10099	0.5
111.04429	0.3
115.05445	1.6
117.07011	0.5
128.06212	11.4
128.07166	0.6
129.07016	7.5
130.07666	0.5
131.08609	0.5
141.05865	0.6
141.06984	17.8
142.07784	7.8
143.08554	31.0
144.08899	1.0
145.06444	0.9
153.06978	0.7
155.06000	0.8
155.08543	5.7
156.09335	100.0
157.09663	4.7
169.10115	0.7
171.11678	64.7
172.07510	0.3
172.12053	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	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
50.05344	0.3
55.01884	0.5
55.05518	2.0
57.03436	0.4
59.90656	0.4
60.33532	0.3
67.05518	0.5
69.03419	0.4
69.07070	0.9
70.11597	0.3
70.91602	0.4
70.94242	0.4
71.04971	0.6
71.48921	0.6
72.04520	2.3
72.08157	1.4
79.05498	1.9
81.07068	0.4
81.49327	0.4
83.08620	0.9
85.62576	0.4
86.66856	0.4
89.07159	1.1
90.35914	0.4
91.05502	3.0
93.07050	1.0
95.04992	0.6
97.06550	0.4
105.07024	2.3
107.08617	0.5
109.10143	0.4
111.04459	0.5
115.05451	2.5
117.07029	1.0
125.09672	0.5
128.06230	16.6
129.07024	14.4
130.07788	0.5
131.08577	1.3
141.05856	0.7
141.06990	19.2
142.07802	11.3
143.08566	46.1
144.08870	1.3
145.06479	1.3
153.06956	0.8
155.06064	0.9
155.08554	6.3
156.09348	100.0
156.30846	0.4
157.09685	4.1
169.10097	0.7
171.11693	71.5
172.09550	0.4
172.12100	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	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03952	0.9
55.01867	1.7
55.05511	20.6
56.96565	5.4
57.03436	2.3
57.07076	1.2
59.05015	0.7
67.05506	4.4
69.03420	1.1
69.07072	3.6
69.97256	2.1
70.94246	0.6
71.04980	1.1
72.04516	12.8
73.02915	1.2
74.68287	0.6
76.69087	0.5
79.05495	4.6
81.07053	2.3
83.04993	1.3
83.08617	9.6
85.02905	1.0
88.95345	0.5
89.07155	9.7
89.58511	0.5
91.05478	10.2
93.07040	1.9
95.08613	0.9
97.06530	1.0
97.10163	5.8
98.97581	2.6
103.05485	0.5
104.01320	0.5
105.04488	0.5
105.07002	3.5
106.96307	0.6
107.08591	2.6
109.10168	1.3
110.01288	1.1
111.04444	0.8
111.08100	1.1
115.05449	4.6
116.98631	2.7
117.07013	5.9
119.01846	1.0
125.09632	1.3
127.05946	0.5
128.02332	2.2
128.06219	13.6
128.98647	0.6
129.07002	62.7
130.07768	2.9
131.08586	3.0
134.99675	2.3
136.06439	0.8
137.02834	1.2
139.53091	0.8
141.06976	3.7
142.07780	3.2
143.08556	35.5
144.08875	1.3
146.99629	1.7
148.53638	0.7
149.01237	0.7
153.00696	0.5
153.09050	0.5
154.08647	0.6
155.06079	0.8
155.08472	0.7
156.09344	10.0
169.10085	1.8
171.11682	100.0
171.77539	0.5
172.12068	4.2
172.16945	1.0
175.02867	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	173.034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
55.05252	1.7
55.05512	32.8
56.05021	1.3
56.96565	100.0
57.03438	7.9
57.07058	0.9
58.99863	1.7
59.04992	6.1
60.04502	1.8
61.02905	2.2
62.16364	0.7
67.05494	2.3
69.03419	4.7
69.96147	0.8
70.06582	7.0
70.61176	0.8
70.91650	1.0
70.91991	1.8
70.98118	3.0
71.04964	1.2
71.95254	2.2
72.93786	6.4
72.96043	1.2
73.02905	3.4
74.97604	3.2
77.00903	2.9
81.03392	2.4
82.46156	0.7
83.00739	0.8
83.04981	31.8
83.05479	1.7
84.01553	0.9
84.04509	1.9
84.08137	2.7
84.96037	6.2
85.02897	4.6
85.06521	1.2
85.64616	0.7
85.74147	0.9
86.09722	1.1
87.04454	2.6
87.05620	0.7
88.02679	1.1
88.99142	1.9
89.00785	0.7
89.02380	2.3
90.94814	5.8
91.02399	1.0
91.05471	0.8
97.02863	4.2
98.01281	2.4
98.97586	9.2
98.98177	1.1
98.98483	0.7
99.04443	2.3
99.70944	0.7
100.07590	1.0
100.99143	3.9
101.00871	2.6
101.06015	23.3
102.02380	1.0
102.97082	1.0
104.01311	1.6
105.00318	1.1
105.02857	0.9
105.03610	0.8
108.95856	1.9
110.01316	1.2
110.97563	3.6
111.02939	1.3
111.04442	30.4
112.07544	1.1
113.02360	1.1
113.05975	3.1
113.96446	0.8
114.05527	4.6
115.02433	1.6
115.05495	0.9
116.07091	2.5
116.98627	9.1
118.00984	0.8
119.00179	4.8
119.01919	17.6
120.02033	0.9
120.03365	0.9
121.01660	1.9
126.97120	0.9
127.01473	1.4
127.03983	1.3
127.07571	5.1
128.07114	1.1
128.10692	0.9
128.98608	9.0
129.05479	18.7
129.10231	0.7
131.00185	1.7
131.01918	7.6
131.08516	2.3
131.96146	3.0
131.97374	1.1
131.99690	1.7
132.95816	1.0
133.03429	5.6
134.99657	6.6
137.01228	0.8
137.02960	2.9
137.05954	1.9
141.01241	3.9
143.01852	1.7
144.98083	3.5
145.03462	2.8
145.05443	1.0
145.06544	1.3
145.10117	1.2
146.98517	1.7
146.99644	16.4
149.01169	2.4
149.02950	2.5
149.96074	2.2
149.97191	6.1
150.00720	1.9
150.01793	5.7
150.96877	4.9
151.04526	1.7
155.01872	3.0
155.05791	1.7
155.07027	26.4
155.08270	1.5
155.97437	1.0
156.07706	1.7
159.05098	1.0
161.01265	1.4
161.02933	2.6
161.05597	1.5
162.99156	9.2
165.00751	11.2
167.97150	2.6
167.98409	1.0
172.97562	1.0
172.98903	1.5
173.01511	1.2
173.02957	5.4
173.04272	1.8
173.08089	36.0
173.13112	3.3
174.07578	0.9
174.11356	1.3
175.04428	1.0
177.00752	1.6
177.06047	1.2
178.98679	1.0
183.01736	3.1
185.03047	1.1
190.98610	3.5
191.04008	1.5
193.00270	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.79140	0.4
53.03952	0.7
55.05513	10.7
55.93513	0.5
56.96569	1.1
57.03433	0.6
57.07086	0.6
59.05020	2.1
59.06119	0.4
60.04537	0.4
65.03946	0.8
67.05510	3.0
69.03430	0.6
69.07078	1.4
69.68371	1.4
69.68777	0.8
70.06580	0.9
70.95872	0.5
71.04981	0.5
72.08157	0.4
72.93792	11.0
76.87138	0.3
79.05494	1.9
80.26625	0.3
81.07053	3.2
83.04985	9.3
85.02878	0.5
85.06541	0.4
86.09713	2.1
87.04456	0.8
87.05582	0.4
89.02384	1.3
89.94048	0.4
90.94829	8.6
90.95396	0.4
91.05478	9.2
91.64505	0.3
93.07043	1.9
95.04939	0.5
95.08598	1.0
97.06528	0.8
98.97620	0.4
100.01860	0.3
100.07649	1.0
101.06021	7.2
103.05448	0.8
105.07037	7.9
107.08616	0.3
108.95866	3.8
110.09657	0.3
111.04438	11.6
113.05998	1.3
113.07126	0.6
113.96394	1.3
115.05466	2.0
116.06235	1.6
117.07029	6.9
119.01861	0.4
119.08587	15.7
120.08899	0.6
127.07554	1.4
128.02309	0.6
128.06233	1.6
128.10718	0.5
129.05511	6.2
129.07004	10.7
130.07791	3.2
131.08571	59.7
131.97443	1.1
132.08910	1.8
132.95833	1.4
133.10126	2.8
137.05966	0.4
141.06944	0.8
142.07764	0.9
143.08563	23.2
144.09358	9.4
145.06477	1.0
145.10127	29.5
146.05972	0.6
146.10417	1.3
147.06607	0.4
147.96317	0.4
149.96118	2.7
150.96912	3.9
155.07045	7.3
156.09326	1.4
156.11363	0.6
156.13890	2.3
157.10124	1.3
158.10913	31.0
159.11263	0.7
167.97176	4.3
171.11678	2.3
173.05956	0.9
173.08156	12.3
173.13263	100.0
173.98480	0.5
174.05417	0.4
174.13673	3.4
174.15005	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.63606	0.5
55.05517	6.3
56.96555	0.6
59.04994	0.7
59.91092	0.5
61.02922	0.5
64.62129	0.6
65.03899	0.7
67.05501	3.4
69.07050	0.7
70.62348	1.2
70.62714	1.0
70.83704	0.5
72.08138	0.8
72.93784	4.1
78.88440	0.5
79.05493	2.5
81.07050	3.0
83.04980	4.6
85.02901	0.7
90.94829	2.7
91.05486	9.5
95.04954	0.6
95.08662	0.6
98.97603	1.3
101.06029	3.4
105.07026	9.5
108.95879	1.3
111.04461	6.5
113.06010	1.1
113.96429	0.6
114.98302	0.5
115.05425	2.9
116.06211	1.9
117.02068	0.6
117.07034	5.4
119.08586	14.4
127.07504	0.7
128.06209	2.0
128.98611	0.6
129.05463	2.3
129.07008	9.0
130.07777	2.3
131.08566	50.8
131.97441	0.5
132.08914	1.3
133.10161	2.5
142.07779	1.3
143.00122	1.4
143.08562	24.2
144.09337	8.7
145.06464	1.0
145.10120	25.5
149.96094	1.5
150.96855	1.2
155.07042	3.7
156.09338	1.1
157.10107	1.8
158.10919	35.4
159.08058	0.7
159.11337	0.8
161.01207	1.5
167.97160	2.0
170.85860	0.5
171.11684	1.8
171.29309	0.6
173.08215	6.8
173.13263	100.0
174.10460	0.7
174.13670	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.46964	0.2
53.03948	0.4
55.05513	5.8
55.05769	0.5
56.96569	2.5
57.03452	0.4
59.05008	1.1
67.05503	2.1
69.03448	0.3
69.85482	1.5
72.93787	3.1
77.03954	0.5
79.05516	0.6
81.07079	0.7
83.04985	6.1
87.04447	0.4
89.02403	0.3
89.03898	0.6
90.90430	0.4
90.94833	2.5
91.05480	3.1
93.07088	0.3
95.04953	0.5
95.08601	0.2
98.98477	2.5
99.04424	0.3
101.06018	4.9
103.05479	0.5
105.07029	3.3
105.51913	0.2
108.95892	1.2
111.04448	6.1
112.04816	0.3
112.86150	0.3
113.06023	0.4
113.96404	0.5
115.05463	1.2
116.06239	0.6
117.07028	2.5
119.04962	0.5
119.08582	9.1
124.04089	0.2
127.05434	0.3
127.07545	0.8
127.70989	0.2
128.06212	1.6
129.05502	3.4
129.06990	3.4
130.07785	1.6
131.08568	20.2
132.08958	0.3
133.10120	5.3
136.23361	0.3
137.05356	0.3
137.09731	0.2
141.06978	0.3
142.07774	1.8
143.08563	27.7
144.05695	0.2
144.09363	4.7
145.02942	0.3
145.06477	1.0
145.10126	13.8
146.05963	0.4
146.10437	0.6
149.94092	0.4
149.96086	0.7
150.96869	0.5
155.07036	4.7
155.08374	0.3
156.09351	1.0
157.04065	0.4
157.10129	2.1
158.10912	57.0
159.11221	2.0
167.97206	1.1
171.11676	1.9
173.00835	0.3
173.02351	7.3
173.05928	0.8
173.08244	6.1
173.09721	1.7
173.13260	100.0
174.02681	0.3
174.05495	0.3
174.13663	3.4
191.42393	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03937	1.3
55.01852	1.5
55.05511	26.7
55.93518	1.0
56.96309	0.8
56.96565	12.7
57.03421	2.3
57.07064	0.7
59.04995	4.0
59.06113	1.0
60.04529	0.9
61.02909	0.9
65.03915	0.9
67.04665	0.6
67.05507	5.3
68.26804	0.6
69.03429	3.0
69.07059	1.4
70.06583	1.4
70.95859	1.6
71.04976	1.8
72.08129	1.5
72.93789	28.8
73.02905	2.2
79.05489	6.3
81.03404	2.1
81.06602	1.0
81.07056	14.8
82.06562	1.0
82.07360	1.1
83.00758	0.6
83.04979	25.2
83.08601	1.5
84.04512	1.1
84.08144	1.0
85.02900	2.4
85.06524	2.3
86.01350	0.7
86.09699	2.2
87.04449	2.9
87.05575	1.6
88.96943	0.6
89.02382	2.4
89.94033	1.0
90.94827	24.6
90.95402	1.2
91.05482	9.0
92.01266	0.7
93.07037	1.9
93.52545	0.6
95.04958	1.8
95.08588	1.1
96.01585	0.6
96.08096	1.2
97.02902	3.2
97.06543	1.3
98.01327	0.7
98.97581	9.6
99.04476	1.3
100.07624	11.7
101.06014	18.3
103.05463	1.2
105.06404	1.0
105.07035	9.3
108.95865	10.0
109.06522	2.9
109.10164	0.6
110.03059	0.7
110.09683	1.4
110.97588	1.0
111.04443	25.6
111.08070	1.1
111.98524	0.8
112.04754	0.7
113.06030	3.0
113.07162	0.6
113.96429	3.4
115.05437	1.9
116.06242	2.2
116.98625	8.3
117.07021	6.6
118.06532	1.2
119.01794	2.2
119.08585	13.8
125.96118	0.9
126.06622	0.9
127.03954	1.1
127.07556	4.7
128.02307	2.6
128.06198	1.5
128.10710	0.9
128.98637	1.0
129.05487	15.8
129.06970	8.8
130.04045	0.5
130.07780	3.0
131.08566	62.3
131.97408	2.9
131.99686	0.6
132.08897	1.3
132.95811	3.4
133.10138	2.6
134.99681	5.5
137.02837	1.7
137.06027	0.7
137.09633	0.9
138.03702	0.7
142.07805	1.0
143.00096	0.9
143.08554	22.0
144.09332	7.8
145.06462	1.7
145.07602	0.9
145.10118	28.6
146.06001	2.2
146.10509	0.7
146.99640	1.7
147.05553	1.0
149.96106	8.1
149.97191	1.1
150.00713	0.8
150.96883	10.7
151.07564	5.9
155.07039	21.4
155.97379	0.7
156.04594	0.6
156.10194	1.7
156.11308	0.9
157.10057	1.3
158.10910	32.4
158.99646	2.3
159.11273	1.2
160.08067	10.7
161.01225	0.7
162.58304	0.8
166.15710	0.6
167.97159	13.0
168.97993	0.7
171.11684	1.8
172.97697	0.7
173.04701	1.5
173.05879	1.6
173.08136	31.3
173.09471	2.0
173.13257	100.0
173.98552	1.3
174.11272	2.1
174.13724	2.8
177.00739	3.3
182.05199	2.6
189.04349	1.4
190.98682	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03949	1.0
55.05509	16.2
56.96562	2.1
57.03427	1.2
57.07072	1.7
58.07392	0.8
58.55920	0.4
59.05003	2.4
65.03940	0.6
67.05509	3.0
69.07057	1.0
69.45097	3.3
71.05009	0.5
71.08630	1.4
72.93787	7.9
73.02902	0.6
74.06041	1.0
74.28926	0.4
79.05488	2.1
81.07063	3.0
81.31702	0.5
83.04977	15.1
87.04458	1.4
88.07627	2.7
89.02390	1.4
89.03892	0.5
89.07948	1.7
90.90372	2.5
90.94824	6.4
91.05484	11.1
93.07042	0.5
95.08670	0.6
99.04462	1.1
101.06012	11.5
102.09173	1.9
103.03355	0.5
103.05504	0.6
103.09506	2.1
105.07031	11.5
107.45982	0.5
108.95855	3.9
111.04440	12.3
113.06002	2.0
113.96404	1.3
115.05474	2.7
116.06187	2.3
117.07027	7.1
119.08582	10.9
127.07552	2.0
128.06229	1.4
129.05493	10.3
129.06989	8.4
130.07779	2.6
131.08562	76.2
131.97404	1.2
132.08910	2.1
133.10129	2.7
137.05907	0.6
142.07787	1.3
143.08560	22.0
144.09354	7.1
145.05424	0.7
145.06496	1.1
145.10124	26.3
146.10474	1.0
147.06560	0.7
149.94040	2.7
149.96106	3.0
155.07040	11.8
155.08513	1.6
156.07347	0.5
156.09325	1.0
157.10062	1.0
158.07275	2.1
158.10909	30.8
159.11530	1.4
167.97186	3.8
171.11705	1.9
173.02374	3.5
173.05952	1.0
173.08122	16.8
173.09656	8.0
173.13252	100.0
173.17311	15.1
174.08693	0.6
174.13730	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.01868	0.5
55.05513	16.8
55.83320	0.6
56.96557	1.8
57.03416	0.8
57.07063	1.9
59.04998	3.1
62.00657	1.1
65.03942	0.9
67.05502	3.8
69.03420	0.7
70.13066	1.3
70.13473	2.3
72.93783	9.6
76.02221	0.7
79.05485	2.7
81.07075	2.9
83.04511	1.1
83.04984	19.0
84.05295	0.6
87.04440	1.4
89.02373	1.6
90.90384	2.1
90.94821	6.2
91.05482	12.7
93.07025	1.3
98.98496	0.8
99.04475	1.5
101.06014	12.1
103.03274	0.9
103.05438	1.3
105.07031	12.3
108.17785	0.6
108.95854	4.0
109.10151	0.8
111.04440	15.6
113.02303	0.7
113.05995	2.4
113.96365	1.3
115.05461	1.4
116.06235	2.6
117.07024	9.6
118.06770	1.2
119.08585	14.3
120.08896	0.6
127.07560	2.3
128.06219	2.3
129.05507	12.0
129.06990	10.7
130.07816	4.7
131.08566	72.8
131.97411	1.2
132.08923	1.9
133.10104	1.6
143.08569	21.2
144.09354	8.7
145.05441	0.8
145.06458	1.8
145.10123	31.6
146.10410	0.9
146.90532	0.6
149.94003	2.4
149.96062	2.9
150.96922	1.3
155.07021	14.7
155.08408	0.6
156.09372	1.3
157.10104	1.3
158.07298	1.6
158.10912	26.2
159.07750	0.7
167.97182	3.9
171.11719	2.5
173.02301	1.0
173.05930	0.8
173.08124	21.2
173.09671	4.9
173.13255	100.0
174.05415	0.7
174.12970	3.8
189.12016	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.01607	0.5
53.03939	0.7
53.32131	0.4
55.01861	0.8
55.05513	11.8
56.96556	1.3
57.03431	0.7
59.04987	2.5
61.85165	0.4
65.03939	0.5
67.05502	3.4
69.03431	0.9
69.07063	0.6
71.04978	0.6
71.49077	0.8
72.93793	6.8
73.02902	0.5
77.03894	0.5
79.05493	2.0
81.07053	3.2
83.04504	0.9
83.04982	12.9
85.40721	0.4
86.09674	0.7
87.04457	0.7
89.02411	1.5
90.94832	4.4
91.05482	8.3
93.07046	0.6
97.30924	0.6
99.04403	0.7
101.06017	9.1
103.05509	0.8
105.07029	8.0
108.95843	2.2
111.04445	12.2
112.04819	0.6
113.06000	1.2
113.96400	0.7
115.05434	2.4
115.68845	0.4
116.06219	1.5
117.07031	6.8
119.08580	11.1
127.07539	1.6
128.06213	2.5
129.05490	5.9
129.07002	8.9
130.07848	3.2
131.08565	61.1
131.97383	0.6
132.08896	1.0
133.10135	3.3
141.07036	0.8
142.07762	1.1
143.08557	23.3
144.05713	0.5
144.09366	7.3
145.06483	2.0
145.10123	25.6
146.05981	0.9
149.96066	1.1
150.96892	1.5
155.07063	9.8
155.08478	1.3
156.09369	0.7
157.10114	1.5
158.07397	1.0
158.10913	38.5
159.11259	0.9
167.97157	2.6
171.11728	2.2
173.02361	3.9
173.05942	2.3
173.08102	12.6
173.09647	4.3
173.13257	100.0
174.13684	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.75762	0.8
53.00290	1.0
53.03925	0.9
55.01871	10.8
55.05497	3.2
56.96557	1.1
57.03443	4.6
61.18608	0.8
65.03922	3.5
67.05499	12.3
69.07068	7.0
69.79166	4.9
70.06574	1.2
79.05492	13.5
81.03394	1.3
81.07056	13.7
83.04984	4.1
83.08585	0.9
87.10011	0.7
87.64326	1.0
91.05480	100.0
92.05799	1.9
93.07038	11.5
95.04966	6.5
95.08593	2.8
97.06519	3.5
98.21439	1.0
98.98466	25.2
103.05474	1.4
105.03415	1.1
105.07028	49.6
107.04954	5.8
107.08584	2.0
107.71272	0.8
109.06521	1.8
115.05438	5.9
116.06279	1.7
117.07050	4.0
119.04945	5.5
119.08580	48.1
120.08852	1.0
121.06511	1.5
121.10026	0.9
128.06229	3.4
129.07001	38.6
131.04951	1.3
131.08562	52.7
132.05687	1.1
132.08902	1.6
133.06480	8.5
133.10124	43.1
141.06964	0.8
142.07779	13.4
145.06503	1.0
145.10124	3.5
146.07269	1.6
147.04387	11.1
147.08083	5.5
147.11694	15.2
151.94005	1.4
157.10129	40.0
158.10411	1.2
160.08821	1.6
175.03914	2.2
175.07616	4.6
175.11180	92.8
175.14761	16.0
176.11562	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	175.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.4
53.03933	1.2
53.49344	0.6
55.01865	2.6
55.05515	4.0
56.96557	0.9
57.03173	1.4
57.03437	22.8
59.67605	0.6
65.03928	2.4
67.05505	13.3
69.03420	1.7
69.07059	2.2
70.06569	1.0
71.25546	1.8
79.05492	7.5
81.03342	0.7
81.07045	4.5
83.38605	0.6
91.05479	28.8
93.07056	3.7
95.04968	13.5
95.08604	1.1
98.98467	19.8
103.05492	1.8
105.07031	34.2
106.07390	1.0
107.04962	7.5
107.08595	2.3
114.04250	0.7
115.05422	2.7
116.06242	1.1
117.07028	7.2
118.07728	0.8
119.04944	5.4
119.08583	57.6
120.08932	1.1
121.06492	5.8
128.06210	3.1
129.07005	10.0
131.04932	4.0
131.08566	4.1
132.05698	2.8
133.06494	32.4
133.10132	13.2
135.08003	1.7
142.07803	8.9
143.06029	0.9
145.06483	9.0
145.10107	2.4
146.07268	31.9
147.04439	8.4
147.08047	63.8
147.11676	14.6
148.08395	1.7
157.07617	2.0
157.10126	10.5
160.08862	8.1
173.09671	1.1
175.03894	2.8
175.07567	4.1
175.11183	100.0
175.14713	9.3
176.11595	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.02357	0.4
53.00299	0.5
53.03933	0.8
55.01871	4.2
55.05510	4.6
56.96557	1.2
57.03434	2.0
57.07072	0.5
57.80180	0.3
60.05664	0.4
65.01329	0.3
65.03928	1.4
67.05151	0.4
67.05503	6.2
69.03419	0.4
69.07069	7.2
69.80041	1.7
70.06574	1.2
71.05006	0.3
72.93785	0.4
77.03934	0.4
78.04697	0.4
79.05038	0.4
79.05495	10.7
81.03416	7.0
81.07056	13.7
82.07376	0.3
83.04971	0.7
83.08619	2.0
91.05480	32.5
92.05818	0.8
93.03436	0.3
93.07038	7.5
95.04971	6.3
95.08609	4.7
97.06519	0.7
98.21484	0.4
98.98467	19.7
99.69703	0.4
103.05460	1.5
105.03413	0.5
105.07028	33.3
106.07371	0.5
107.04945	5.6
107.08591	4.4
109.06518	1.5
115.05451	5.5
116.06226	1.1
116.99513	0.6
117.07012	5.7
119.04959	4.0
119.08580	50.5
120.08918	0.8
121.06512	2.3
121.10174	1.2
128.06200	2.8
129.07005	21.4
130.06525	0.6
130.07384	0.5
131.04897	0.6
131.08569	14.0
132.05719	1.0
132.09299	0.3
133.03471	1.0
133.06509	7.4
133.10124	100.0
134.07210	0.9
134.10468	1.6
135.06512	0.8
139.06798	0.8
141.06950	0.8
142.07771	7.8
144.05765	0.5
144.07068	1.8
144.57141	0.4
145.06471	3.8
145.10124	5.6
146.07202	0.6
146.10863	0.7
147.04387	6.9
147.08064	5.3
147.11678	16.8
148.07297	1.0
152.05960	0.4
155.08568	0.5
157.10127	21.2
158.10527	0.5
159.11620	0.4
160.05235	2.6
160.08865	0.8
160.12482	1.6
172.35762	0.4
173.13315	0.9
175.03926	2.3
175.07582	10.0
175.11185	52.5
175.14807	44.6
176.11592	1.9
176.15138	1.3
192.44585	0.4
193.85800	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	175.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01875	7.3
55.05517	6.0
56.96305	0.8
56.96568	11.0
57.03436	2.5
57.07080	0.6
59.04996	0.5
60.05653	1.1
65.03941	2.0
67.05506	11.7
69.03426	1.4
69.07072	12.4
69.21310	5.1
70.06593	3.0
76.13290	0.4
77.03970	0.6
79.05496	17.1
80.05824	0.6
81.03416	7.2
81.07056	21.1
83.04965	2.6
83.08620	2.9
91.05484	83.0
92.05830	1.1
93.07044	12.6
94.01804	1.1
95.04967	7.6
95.08609	5.5
97.06511	2.5
98.21548	0.8
98.98470	100.0
103.02321	2.9
103.05463	2.0
104.06254	0.6
105.03415	1.2
105.07034	54.9
106.07378	1.2
107.04957	9.0
107.08591	6.5
109.06502	2.4
109.10176	0.7
112.02857	1.2
113.02563	1.0
114.53152	0.6
115.05450	7.1
116.06306	2.5
116.07011	0.6
116.99495	5.9
117.07037	6.5
119.04955	4.6
119.08586	79.7
120.08114	0.6
120.08900	0.8
121.06514	3.2
121.10152	1.3
122.03045	0.6
125.04366	0.5
125.39352	0.5
128.06221	3.5
129.07008	29.7
130.07404	0.5
131.04950	0.5
131.08571	28.3
132.05661	0.8
132.09157	0.5
133.06511	10.6
133.10132	51.7
134.04921	2.6
134.07237	1.4
134.10487	0.6
135.08060	0.6
140.01080	1.4
141.06969	1.1
142.07785	11.9
143.05435	11.9
143.55635	2.4
144.05577	0.8
145.06506	1.9
145.10136	4.5
145.55676	0.7
146.07274	1.1
146.10889	0.8
147.04419	6.9
147.08047	8.9
147.10536	1.2
147.11691	23.2
148.08615	0.5
148.11993	0.6
152.05951	6.9
154.56213	2.4
155.08586	0.9
157.01773	0.9
157.10135	37.7
158.10492	1.1
160.05235	5.3
160.08817	1.7
160.12454	1.8
163.56796	1.0
173.13306	1.0
175.02744	1.3
175.04076	4.5
175.07584	11.9
175.11189	95.1
175.14813	49.3
176.03142	0.5
176.11639	2.5
176.15176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
52.06796	1.1
53.00290	2.6
55.05504	4.6
56.96567	12.5
57.03436	100.0
60.05642	1.3
65.03934	2.6
67.05492	5.0
68.16882	1.2
69.03421	1.6
69.07062	6.5
70.06580	3.7
70.85383	2.3
75.04488	1.0
77.62882	1.2
79.05486	6.3
81.03402	1.4
81.07044	8.4
83.08617	1.5
91.05480	40.4
92.89989	2.2
92.90483	2.2
93.07014	5.7
95.04940	1.8
95.08588	4.5
98.98467	84.1
103.02325	2.4
103.05450	1.7
105.07027	20.7
106.07310	1.4
107.04953	2.1
107.08605	2.8
109.06529	1.6
115.05436	2.4
116.00179	1.0
116.03073	1.2
116.97220	3.1
116.99519	4.1
117.07016	7.5
118.07750	1.6
119.04935	14.1
119.08579	77.1
121.10094	1.2
124.04676	1.7
128.06219	1.4
129.06979	6.9
131.04942	1.6
131.08597	5.6
133.06487	4.4
133.09149	2.0
133.10120	25.3
140.01073	1.2
142.07770	5.6
145.06497	2.5
145.10112	3.7
146.07234	2.3
147.04408	38.6
147.05566	2.8
147.08049	8.2
147.11653	9.2
151.94049	12.0
152.05951	2.0
157.04243	1.7
157.10135	7.3
160.08894	2.7
162.06334	1.2
163.07039	1.6
169.95035	2.5
174.66585	1.2
175.03929	5.7
175.07489	7.0
175.11176	47.2
175.13295	2.2
175.14801	26.3
176.11571	2.4
193.05028	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	175.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.3
53.03947	1.6
55.01873	8.1
55.05514	9.6
56.44872	0.5
56.96568	7.7
57.03444	3.6
57.07084	3.7
58.06589	0.8
58.07409	1.7
62.06100	2.5
63.02370	0.6
63.06431	0.7
65.03940	3.1
66.28833	0.5
67.05135	0.8
67.05503	13.5
67.21748	0.5
69.03431	2.0
69.07072	14.9
70.06606	2.8
71.04991	0.9
71.08625	1.5
71.49113	0.8
72.08950	1.3
77.00926	0.5
77.03857	0.6
79.05499	22.7
81.03423	14.1
81.07058	27.8
83.05003	2.4
83.08618	2.9
87.04500	0.8
87.10038	0.6
91.05485	64.5
92.05812	1.8
93.07048	15.0
95.01996	0.6
95.02549	0.6
95.04965	13.5
95.08606	8.8
97.06527	1.4
98.98470	56.4
103.02372	1.1
103.05460	2.7
104.03114	0.6
104.06275	0.6
105.03394	1.0
105.07034	60.9
106.07339	1.2
107.04957	13.2
107.08595	9.3
109.06506	2.7
109.10172	0.9
115.05452	11.4
115.06193	0.9
115.23322	0.5
116.06213	2.2
116.06977	0.6
116.99497	3.0
117.07017	10.0
118.07812	0.7
119.04950	10.3
119.08584	81.8
120.08906	1.0
121.06516	4.1
121.10162	1.7
126.06017	1.2
128.06236	4.8
129.07008	41.0
130.06514	1.5
130.07364	1.0
131.04936	1.6
131.08569	23.1
132.05736	2.6
132.08998	0.7
133.03487	1.6
133.06494	16.9
133.10133	57.4
134.07234	2.1
134.10484	0.8
135.05614	0.6
135.06575	2.5
135.56670	0.5
139.56827	0.6
141.06978	2.0
142.07790	14.7
143.05498	2.4
144.06142	3.7
144.07178	3.7
144.57173	0.9
145.06531	1.8
145.10126	7.1
146.07249	0.8
146.10933	1.1
147.03256	0.9
147.04417	16.2
147.05560	1.0
147.08055	8.8
147.11690	26.8
148.04715	0.7
148.07397	0.6
151.04532	0.9
152.05928	1.1
153.06754	2.8
154.07378	0.8
154.56192	0.8
155.08560	0.7
157.04324	0.6
157.07892	1.4
157.10130	40.0
157.17874	2.7
157.57921	0.9
158.10548	1.5
159.03200	0.8
159.11685	0.8
160.05206	7.4
160.08798	2.1
160.12494	1.6
173.13264	1.6
175.02742	0.5
175.04001	6.1
175.07561	21.3
175.11191	100.0
175.14810	60.0
175.18877	21.4
176.11638	3.2
176.15192	1.2
177.12753	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	175.119
Annotation	L-arginine
Peak:m/z	Relative Intensity
55.01867	0.8
55.05519	0.6
56.96572	3.5
57.03428	1.5
58.06603	1.2
60.05650	33.6
61.02929	1.1
67.05506	0.4
68.05016	0.6
69.03428	2.2
70.06592	100.0
71.05001	2.0
71.06924	1.5
71.11423	0.7
72.08157	7.2
73.02919	2.6
74.97585	0.4
77.00904	0.4
81.03413	1.2
83.01332	0.3
84.08161	2.3
85.01408	0.6
85.02898	1.3
85.06547	0.4
86.09717	1.4
87.04459	1.3
88.07634	0.6
91.05429	0.6
97.02886	2.3
97.07645	0.6
98.06056	1.0
98.97576	1.9
98.98466	2.0
99.04467	0.7
101.00861	2.1
103.00702	0.3
103.02456	2.9
109.02866	0.5
110.01277	0.5
110.97522	0.5
111.02920	0.4
111.53688	0.4
112.02882	0.4
112.03653	0.4
112.07588	0.8
112.08734	3.8
113.00893	0.3
114.09187	0.4
114.10293	0.6
115.02468	0.7
115.08723	0.8
116.07096	25.8
116.98631	1.5
117.07439	0.4
118.08644	0.3
119.01920	10.4
120.01999	1.4
120.03455	0.5
121.01654	1.5
121.03471	2.1
127.03905	0.4
128.02325	0.7
128.98648	0.8
129.02223	0.3
129.04022	0.5
130.08669	1.8
130.09750	11.9
131.01886	1.2
133.01677	0.5
133.03468	5.1
133.22395	0.3
134.03578	0.5
134.99670	1.3
137.02954	4.0
138.03171	0.3
143.01875	0.8
145.03413	2.2
146.99622	0.7
147.03217	0.4
150.99049	0.5
151.04520	3.6
157.03471	0.7
157.10806	1.1
158.09265	7.1
158.11740	2.4
158.99643	0.5
161.02962	1.8
162.03163	0.4
163.02742	1.3
163.04472	1.2
173.03006	0.6
174.02930	0.4
174.04379	0.5
174.99158	0.5
175.02916	0.5
175.04535	7.0
175.11911	18.7
175.14433	1.5
176.04730	0.5
185.03011	0.8
186.03020	0.7
187.02687	0.4
193.00250	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	175.1191
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
50.66079	0.4
55.01870	1.1
55.05506	0.5
56.96569	7.9
57.03434	2.1
58.06600	1.1
58.99861	0.3
59.27916	0.3
60.05651	35.9
61.02924	1.3
65.03940	0.8
67.05512	0.6
68.05055	0.4
69.03427	2.2
69.94565	1.7
70.06594	100.0
70.16334	0.3
71.05004	2.0
71.06925	1.2
72.08155	7.5
73.02926	2.3
74.06064	0.4
74.97622	0.5
81.03425	0.7
83.05001	0.5
84.08160	2.1
85.02908	2.3
85.08525	0.3
86.06070	0.3
86.09713	1.0
87.04498	1.7
88.07642	0.3
91.05481	4.2
92.05824	0.5
97.02895	3.1
97.07656	0.6
98.01303	0.3
98.06077	0.9
98.97613	2.7
98.98468	22.2
99.04486	0.6
100.07610	0.5
101.00899	1.2
102.02451	0.6
103.02452	2.3
103.03150	0.5
105.00283	0.4
105.07001	0.4
106.01030	0.7
107.01707	0.3
110.01308	0.7
110.97595	0.7
111.02958	0.7
111.04435	0.5
112.02847	0.5
112.07612	1.8
112.08715	4.0
112.11251	0.6
114.09172	1.5
114.10344	0.7
115.02396	0.4
115.05874	0.5
115.08716	0.6
116.07095	26.5
116.94324	0.3
116.98642	2.7
116.99474	0.8
118.08672	0.6
119.01904	7.0
119.04930	2.0
119.08571	1.1
120.03452	0.4
121.01677	0.7
121.03487	1.2
126.00847	0.5
127.03961	0.6
128.02322	0.8
128.98616	0.7
129.10204	0.4
130.06506	0.8
130.08684	2.0
130.09752	12.0
130.12338	0.8
131.01941	1.1
132.01982	0.6
132.10216	1.6
132.95837	0.6
133.01636	0.6
133.03477	3.1
133.10086	0.6
134.99666	1.7
137.02934	3.1
142.96571	0.5
143.01891	0.8
145.01733	0.4
145.03499	1.5
146.99677	0.8
147.01364	0.5
147.04405	5.7
147.08023	0.4
150.96899	0.9
150.99147	0.8
151.04512	1.6
151.93788	0.4
155.01854	0.5
157.03508	0.4
157.10832	1.4
158.09251	7.2
158.11748	2.5
160.97620	1.4
161.01228	0.6
161.02975	1.0
162.99173	0.6
163.02818	0.7
163.04468	0.9
171.01387	0.3
173.03009	0.7
174.03073	0.5
175.02751	0.6
175.04530	3.6
175.07646	0.6
175.11929	21.6
175.14558	2.1
177.00745	0.3
178.03946	0.4
186.03125	0.6
189.00780	0.3
193.00107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03942	1.2
55.01878	3.7
55.05510	17.6
56.96563	57.8
57.03433	2.5
57.07085	1.0
65.03934	2.0
67.01856	0.8
67.05499	10.4
69.03429	1.6
69.07067	17.7
69.40916	4.3
69.41325	0.8
69.95338	0.7
70.06595	2.0
71.04987	0.7
75.01007	0.8
75.78201	0.6
79.05489	12.8
80.05825	0.8
81.03409	7.3
81.07052	24.8
83.04972	1.3
83.08617	11.4
84.01576	0.7
84.80415	0.7
85.02900	1.7
89.62170	0.7
90.01566	0.6
91.05477	45.2
92.05784	1.3
93.07040	13.5
94.01812	6.2
95.04967	8.8
95.08605	10.3
96.01535	1.4
96.08937	0.9
98.98463	64.7
103.02319	24.2
103.05465	2.5
103.52499	1.5
104.03090	0.7
104.06242	1.2
105.03410	2.0
105.07026	57.4
106.07365	1.2
107.04955	5.7
107.08583	9.4
109.06543	1.6
109.10145	1.4
111.03841	0.6
112.02837	6.8
113.02565	2.6
114.53112	2.3
115.04115	1.5
115.05433	5.1
116.06232	2.1
116.99521	1.9
117.07021	6.6
119.04961	6.0
119.08576	100.0
120.08846	3.3
121.06512	2.2
121.10137	4.0
122.03083	8.9
122.53277	1.1
124.04655	3.0
124.54794	0.7
125.04362	1.2
127.00681	1.5
128.04915	2.3
128.06227	2.9
129.05693	1.9
129.07001	16.5
130.06490	1.4
131.03598	0.9
131.04906	1.1
131.08566	15.8
132.05702	1.4
133.02879	0.7
133.05409	0.9
133.06470	6.2
133.10121	80.1
133.53845	1.0
134.04881	15.0
134.07239	1.1
134.10556	2.1
134.55077	1.5
134.99632	0.9
135.11691	0.9
137.05333	0.7
137.09616	2.1
138.06233	2.1
139.00661	1.4
142.07790	6.4
143.05412	87.4
143.55565	9.7
144.05667	1.1
145.01718	2.4
145.02754	0.7
145.06477	2.6
145.10124	6.6
145.55685	2.6
146.05876	1.0
146.07289	0.8
146.10883	1.9
147.04407	12.6
147.07997	5.2
147.11685	21.2
148.12061	1.5
149.09659	0.9
150.96558	0.7
152.05940	39.8
152.56114	5.8
154.56206	12.8
155.06383	1.7
157.01723	7.8
157.10114	18.1
160.05128	4.0
160.08804	2.0
160.12442	3.2
161.06471	2.5
163.56769	3.1
173.13341	1.4
175.02696	11.0
175.04237	3.1
175.07521	19.1
175.08791	1.2
175.11182	39.0
175.14812	86.2
176.11522	2.1
176.15184	3.2
193.03819	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.09772	0.4
53.00293	0.7
53.03950	0.7
55.01874	1.1
55.05510	10.5
56.96563	6.1
57.03431	0.4
57.07078	1.3
65.03931	0.8
67.05503	6.0
67.18995	0.4
69.03429	0.7
69.07067	13.2
69.86200	1.7
70.06592	0.8
77.03905	0.5
79.05495	8.9
81.03425	0.7
81.07053	28.8
82.07372	0.4
83.08614	3.2
91.05480	25.1
92.05791	0.8
93.07040	11.1
95.04961	1.4
95.08605	17.0
98.20814	0.5
98.98464	23.9
103.02306	1.7
103.05461	1.7
104.06243	0.8
105.07030	54.7
106.07368	2.0
107.04960	0.9
107.08593	13.8
107.09321	0.7
108.08963	0.4
109.06538	0.4
109.10162	1.1
112.02883	0.4
112.12942	0.4
115.05458	1.9
116.06208	0.6
116.99485	0.7
117.07018	5.4
119.04922	1.8
119.08578	100.0
120.08838	3.3
121.06542	0.6
121.10143	2.9
122.03093	0.8
128.04890	0.4
128.06200	0.5
129.06992	2.8
130.06482	0.5
131.04965	0.5
131.07617	0.7
131.08562	11.1
132.05679	0.5
132.09315	1.4
133.06465	1.2
133.10126	69.5
134.04848	1.1
134.10406	2.0
135.07927	0.5
142.07774	1.6
143.05418	8.0
145.06496	0.7
145.10136	4.9
146.10919	3.8
147.04404	5.0
147.08023	2.0
147.11684	21.9
148.12019	0.5
152.05951	4.0
152.56168	0.8
154.56190	1.1
157.01768	0.7
157.04228	0.5
157.10138	3.3
160.05162	1.3
160.08821	0.6
160.12463	3.4
161.06497	0.5
162.16466	0.4
173.13271	1.9
175.02696	1.2
175.03929	1.4
175.07545	3.7
175.11255	9.7
175.14815	99.3
176.15173	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03930	0.6
53.94398	0.5
55.05511	8.6
57.07076	1.1
65.03954	0.6
65.06969	0.4
65.84428	0.4
67.05502	1.3
69.07069	22.8
70.07411	0.5
70.50279	1.3
70.50620	0.5
79.05497	3.0
81.07063	5.1
83.08620	4.8
83.37173	0.4
91.05480	12.2
91.06036	0.8
93.07037	3.8
95.08614	5.3
98.98473	10.5
103.05470	0.9
105.07031	24.9
106.07335	0.6
107.04955	0.6
107.08599	6.0
115.05445	1.1
116.99487	0.5
117.07000	2.7
119.04955	1.6
119.08582	85.2
120.08932	1.9
121.06493	0.6
121.10140	3.6
129.07011	0.8
131.08585	3.7
132.09306	0.7
133.06462	1.4
133.10133	70.0
134.10487	1.8
135.08054	0.5
135.11723	1.0
142.07767	1.0
145.06516	0.8
145.10141	6.6
146.10896	1.9
147.04430	1.5
147.08076	0.6
147.11688	12.3
157.10127	0.8
157.14192	1.1
157.49554	0.4
158.10899	0.7
159.11714	0.8
160.05121	0.8
160.08852	4.2
160.12479	3.6
167.28363	0.5
173.13239	2.4
175.03899	1.0
175.07515	1.4
175.11314	8.0
175.14824	100.0
176.15157	3.7
189.77075	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
54.89637	1.0
55.05514	10.6
57.07062	1.5
65.03943	1.2
67.05489	4.3
69.07064	17.4
69.79388	5.8
70.06590	2.0
79.05489	5.2
81.07056	17.4
82.07407	1.0
83.08611	4.3
91.05476	23.8
93.07044	7.7
95.04945	1.3
95.08610	12.1
95.71274	1.1
98.97470	1.3
98.98469	25.5
103.05468	2.8
105.07029	55.6
106.07394	0.9
107.04993	1.6
107.08598	9.9
109.06548	1.1
115.05485	1.5
117.07010	4.4
119.04940	2.4
119.08580	99.0
120.08871	2.3
121.10176	2.5
127.31520	1.0
129.07028	4.6
130.06522	20.9
131.08578	10.9
132.95772	1.6
133.10127	68.3
134.10501	1.6
145.06462	1.5
145.10110	5.6
146.10909	3.0
147.04404	4.5
147.11687	19.4
157.10114	3.4
160.05200	2.0
160.08423	0.9
160.12462	2.6
173.13245	2.0
175.03932	1.5
175.07520	7.9
175.11275	8.8
175.14825	100.0
176.15164	4.8
186.94527	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03951	0.8
55.01872	0.5
55.05514	10.1
57.03430	0.3
57.07076	1.3
61.45132	0.3
63.46319	0.3
65.03949	0.9
66.53263	0.3
67.05503	4.4
69.07069	24.1
70.06599	0.3
77.03902	0.3
78.29942	0.3
79.05491	5.6
81.03429	0.8
81.07056	14.6
82.07410	0.4
83.08622	5.4
88.13773	0.3
91.05485	15.9
92.05761	0.3
93.07044	6.8
95.04964	1.3
95.08607	11.1
96.38084	0.3
98.20729	0.7
98.98464	5.3
103.05471	1.0
104.06268	0.4
105.07030	39.5
106.07360	1.2
107.04969	0.6
107.08595	9.4
109.06518	0.7
109.10162	0.9
115.05453	1.8
116.06198	0.4
117.07021	5.4
118.01945	0.3
118.07830	0.5
119.04935	0.8
119.08582	100.0
120.08793	2.4
121.10145	3.3
128.06223	0.5
129.06996	3.7
129.87651	0.3
131.08566	8.0
132.05733	0.5
132.09351	1.0
133.06523	0.9
133.10129	82.4
134.10449	2.7
135.11707	0.6
142.07774	1.2
145.06389	0.3
145.10123	7.5
146.10899	2.2
147.04390	2.2
147.08054	0.8
147.11688	15.2
148.12032	0.5
157.10104	2.4
158.10930	0.4
159.11661	0.6
160.05220	1.6
160.08812	0.5
160.12485	3.6
161.12819	0.3
173.13269	2.5
175.03883	0.9
175.07578	4.3
175.11378	5.6
175.14821	96.0
176.15158	4.0
182.87053	0.3
190.23221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03944	0.8
55.01867	2.9
55.05511	7.6
56.96588	0.7
57.03419	1.4
57.07073	1.4
63.02399	0.7
63.88251	0.6
65.03920	1.0
67.05510	6.0
69.07072	18.9
69.37694	1.9
69.38103	4.2
70.06602	0.7
70.21252	0.7
70.55244	0.8
75.36703	0.7
79.05497	9.1
80.59261	0.8
81.03405	3.1
81.07059	13.4
83.08635	4.1
91.05482	24.7
93.07047	7.4
95.04954	4.6
95.08598	6.6
98.98473	38.0
103.05458	1.0
105.07037	36.2
106.07323	1.2
107.04973	3.4
107.08587	6.4
109.06538	1.1
115.05453	4.3
116.06295	0.9
116.99500	1.7
117.07037	5.4
119.04948	1.6
119.08586	86.7
120.08916	3.0
121.06516	1.4
121.10120	3.0
128.06247	0.8
129.07016	13.6
131.04886	0.8
131.08565	10.3
132.05690	1.2
133.06532	5.3
133.10136	80.2
134.10475	2.2
142.07774	5.0
145.10121	7.3
146.07167	0.7
146.10870	1.3
147.04419	2.1
147.08061	4.0
147.11693	19.4
157.10150	12.1
160.05150	3.2
160.08913	0.8
160.12454	4.4
161.05975	0.8
173.13225	2.2
175.03903	1.6
175.07565	8.5
175.10091	1.2
175.11218	31.3
175.14824	100.0
176.11557	2.0
176.15161	4.4
183.70824	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	176.0707
Annotation	5-Hydroxyindoleacetaldehyde
Peak:m/z	Relative Intensity
53.03957	1.3
54.03498	0.6
54.53505	0.5
55.01876	5.8
55.05517	1.0
56.05050	1.0
56.32603	0.6
56.68917	0.6
56.96562	4.7
57.03439	1.7
58.06594	0.7
59.06141	2.6
60.04530	0.6
62.99107	0.7
65.03957	1.6
67.05503	0.5
68.05039	0.8
68.99812	0.7
69.03447	0.6
70.06596	0.9
71.01353	5.1
71.33236	0.9
72.04495	0.8
72.08155	0.6
73.04044	0.7
74.06104	0.7
75.05634	0.9
77.34732	0.6
78.04735	0.8
79.05489	6.2
81.03439	1.9
81.04549	1.0
81.07062	1.0
82.06586	0.9
82.13183	0.5
83.01353	3.6
83.06147	0.6
85.02914	1.0
87.05599	1.6
89.03911	4.5
91.05482	8.3
92.05822	2.7
93.07047	6.2
94.06565	2.9
95.04967	4.4
95.06082	0.7
95.08636	1.0
97.06478	0.8
98.06064	0.8
98.09734	0.7
98.97598	5.4
98.98479	17.4
99.05560	0.8
100.03989	0.7
100.76548	0.6
103.05465	11.9
104.04990	3.6
105.04475	0.7
105.07022	3.3
106.04206	1.1
106.06556	54.6
107.04976	3.8
107.06879	1.4
107.08595	1.0
108.05669	0.7
109.02883	15.2
109.03624	1.1
109.07631	0.6
115.05463	0.9
116.07061	0.5
116.97269	3.5
116.98628	7.9
116.99435	1.0
117.03379	7.5
117.05814	2.8
117.07041	0.6
118.06545	2.3
119.01891	0.6
119.04950	1.6
119.08540	0.5
120.04476	0.8
120.05313	1.2
120.08102	7.6
120.08910	0.6
121.02911	0.7
121.06503	6.3
128.04965	2.0
130.06529	79.1
131.04955	3.5
131.05861	0.5
131.07083	2.1
131.07246	2.2
131.08508	1.4
131.99631	0.9
132.04451	100.0
132.08090	18.8
132.09044	1.2
133.02911	0.7
133.04816	2.5
133.10132	0.8
134.03731	0.8
134.05991	1.6
134.99652	11.9
135.04420	2.4
135.06651	0.9
135.11725	0.6
137.09518	0.8
139.30496	0.6
144.05699	0.7
145.02840	10.3
146.06012	26.1
147.04430	1.4
147.06404	1.0
148.04854	2.1
148.07567	74.7
149.02350	1.6
149.06003	7.9
149.07941	3.1
149.98326	0.7
150.05540	1.1
152.96944	2.0
153.00731	3.3
158.06015	12.0
159.04413	1.9
159.07907	0.8
162.03102	0.7
174.05489	1.3
175.98508	1.5
176.07053	49.0
176.11792	1.3
176.14204	0.8
177.05452	9.1
177.07614	1.1
177.08926	3.0
177.11369	0.8
177.12799	1.0
184.01936	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	176.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	2.7
55.01817	5.7
55.02102	0.5
55.05455	14.9
56.04981	5.8
56.96510	36.9
57.03382	13.1
57.03685	1.0
57.05769	0.4
57.07032	0.9
57.93517	0.7
58.02917	0.7
58.03716	0.5
58.06546	5.3
58.96105	0.4
58.99821	0.9
59.04997	4.2
59.77869	0.3
60.02094	0.5
60.04465	2.6
60.05592	4.8
60.08126	0.6
60.95785	1.3
61.02871	8.4
61.05303	0.7
61.05951	0.7
62.06089	4.9
65.03899	1.1
67.05502	10.8
68.04981	1.7
68.05781	0.4
68.98193	0.4
69.03426	22.8
69.03776	1.0
69.07068	3.9
70.02917	0.8
70.03722	1.0
70.06591	23.5
70.98080	0.9
71.01348	1.9
71.04991	19.2
71.06256	0.8
71.06922	8.3
71.48795	0.6
71.95213	1.0
72.04507	5.5
72.05290	0.5
72.08151	16.9
72.96030	0.6
73.02916	16.1
73.06518	0.6
73.08483	2.6
74.02404	0.8
74.03254	0.4
74.06079	3.2
74.97584	2.0
75.02686	0.7
75.04423	1.5
77.00792	1.6
79.05493	11.3
80.04985	1.6
81.01003	0.4
81.01894	0.5
81.03415	11.7
81.04505	0.4
81.05761	0.6
81.07048	6.7
82.03687	0.4
82.06575	3.7
82.99812	0.4
83.00741	2.6
83.01296	1.2
83.04969	2.6
83.08568	0.6
84.01543	0.9
84.04468	1.6
84.08136	7.6
84.96024	2.4
85.02905	27.2
85.05269	1.0
85.06545	5.8
86.03204	1.0
86.03677	0.5
86.06059	3.0
86.09707	4.7
87.00975	0.9
87.01891	0.6
87.04471	8.2
88.02654	0.6
88.03957	0.6
88.04805	0.5
88.07631	3.4
88.99134	0.6
89.00751	1.7
89.02429	0.4
89.06006	0.8
90.01512	1.7
90.05515	0.4
91.02329	1.6
91.03916	1.5
91.05473	3.6
92.01289	2.5
92.05779	0.5
92.98652	0.6
93.07038	11.1
94.02639	0.7
94.06030	0.4
94.06564	3.1
95.00752	1.3
95.01317	0.5
95.01913	0.8
95.02569	0.4
95.03448	0.5
95.04953	4.1
95.08607	17.3
96.01542	3.3
96.02367	1.1
96.08121	4.0
97.02886	38.4
97.05950	0.7
97.06532	12.3
97.96799	0.7
98.01290	2.4
98.03186	1.7
98.06048	4.0
98.09673	0.5
98.97557	28.4
98.98437	6.0
99.02050	0.7
99.03848	0.5
99.04452	5.8
99.97903	0.6
100.02666	0.9
100.07621	2.0
101.00874	3.9
101.02375	0.9
101.03461	0.5
101.06042	0.4
102.00922	0.5
102.01527	1.0
102.02376	1.5
102.04084	0.6
102.05551	0.7
102.09164	1.2
102.96962	0.5
103.00558	0.9
103.02351	1.6
103.03169	0.6
103.03900	0.9
103.05454	1.4
104.01269	3.3
104.02460	0.6
104.03082	2.4
104.03905	0.4
104.07077	1.7
105.01201	0.8
105.02048	2.5
105.02712	0.3
105.03713	0.4
105.04490	0.4
105.07031	3.1
106.00983	0.9
106.02757	0.6
106.06574	0.7
107.00195	0.5
107.01806	1.4
107.04964	3.2
107.08519	0.8
108.01518	0.7
108.02377	0.6
109.02171	0.6
109.02859	8.5
109.06470	0.4
110.01295	5.3
110.03130	0.7
110.03886	0.4
110.07156	1.7
110.09689	3.8
110.97566	2.2
111.02052	2.8
111.02903	1.4
111.08083	3.3
112.02862	0.5
112.07648	2.2
112.11242	73.4
112.99139	5.9
113.00869	0.7
113.01797	1.6
113.03610	3.2
113.06021	0.5
113.11588	2.6
113.53865	0.5
114.01711	1.1
114.02536	1.3
114.04253	0.8
114.05516	1.0
114.09165	64.2
115.00674	1.0
115.01543	0.4
115.02375	1.7
115.03941	1.7
115.09506	1.7
116.01266	1.1
116.07098	3.2
116.10750	0.5
116.97218	2.4
116.98619	32.1
117.02069	2.5
117.04003	0.9
117.05525	1.3
117.07448	3.0
117.98952	0.9
118.01022	1.1
118.02812	1.5
119.01877	22.7
119.04873	0.5
119.09060	0.6
119.51950	0.4
120.01961	3.1
120.05180	0.5
120.08090	1.3
120.97991	0.6
121.01665	2.6
121.03517	0.7
121.05168	0.5
121.06499	1.7
121.52061	0.5
122.01266	0.9
122.02274	1.2
122.04114	0.7
122.09662	2.9
123.02098	0.9
123.02966	0.5
123.08057	6.5
124.01032	0.5
124.02793	1.3
124.99138	0.6
125.01729	2.2
125.03615	1.4
125.04442	0.6
126.02568	2.0
126.09184	0.5
127.00639	0.8
127.01540	0.7
127.03117	0.5
127.03938	5.6
128.02312	6.9
128.07079	0.5
128.10722	4.6
128.98615	5.8
129.01973	0.5
129.03006	0.5
129.04008	1.1
130.04962	1.1
130.06552	1.2
130.08656	3.8
130.12274	100.0
130.52655	0.7
131.00168	17.7
131.01823	8.2
131.03624	1.4
131.04837	0.6
131.10133	1.4
131.12646	1.6
131.96149	0.5
131.99602	0.6
132.00638	0.4
132.02573	1.4
132.03459	1.7
132.04355	0.5
132.10197	59.1
132.53549	0.5
133.01685	2.9
133.03438	5.6
133.10555	1.0
134.01367	0.5
134.02290	1.5
134.03642	1.7
134.08128	1.4
134.99648	36.4
135.03154	1.5
135.06685	1.5
135.99992	0.5
136.06212	1.5
136.07602	1.1
137.02869	4.0
137.04488	1.8
138.02480	0.7
138.03325	0.8
138.04395	1.0
138.99043	0.5
139.01639	0.5
139.03462	0.9
140.00195	0.7
140.02299	7.4
140.04112	0.6
140.07143	0.6
140.10699	3.1
141.03082	3.2
141.09097	7.4
142.03600	0.5
143.00116	2.6
143.01854	1.9
143.03590	0.6
144.10226	0.7
144.13857	2.1
144.98120	0.9
144.99843	0.8
145.01758	2.7
145.03523	2.5
145.05035	2.0
145.97728	0.9
146.02319	2.5
146.05109	0.7
146.99644	9.8
147.02963	3.9
147.04022	3.2
147.04887	4.2
147.06631	2.5
147.54131	0.9
148.03848	2.8
148.05148	0.5
148.07585	1.2
148.11201	0.5
149.01273	24.2
149.02911	7.8
149.04684	0.8
149.06017	1.7
149.08240	0.6
150.01709	0.5
150.03616	0.5
150.99094	0.7
151.02797	1.5
151.04492	1.9
151.53239	0.5
152.04674	0.6
152.97005	0.9
152.98892	0.7
152.99396	0.5
153.00684	6.7
153.04099	1.3
154.01967	0.8
154.03673	2.6
155.01862	0.6
155.02950	1.8
156.03592	2.6
157.03499	1.3
157.53230	0.5
158.01337	1.1
158.03722	0.5
158.08223	2.1
158.11763	14.5
158.99654	5.1
159.00853	0.4
159.03267	1.4
159.05083	2.2
159.06575	0.7
159.09631	1.0
159.12141	0.6
160.06177	2.1
160.97646	0.8
161.01218	8.0
161.02980	3.3
161.04655	0.6
161.06682	0.4
161.97993	0.5
162.01808	0.7
162.03247	1.3
162.99112	2.2
163.02763	6.1
163.04327	0.8
163.52736	0.5
164.02548	1.4
164.98921	0.7
165.00800	4.4
165.04219	0.9
165.06232	0.6
167.02255	4.5
167.04680	1.7
167.05870	0.8
167.11417	0.4
168.02388	0.6
168.03564	2.4
168.53860	0.4
170.05220	1.0
170.99741	1.5
171.01459	4.7
171.02579	1.1
171.05017	11.1
172.02956	0.6
172.05310	1.7
173.01317	3.3
173.03053	2.2
173.04805	0.7
174.04579	0.6
174.99190	0.6
175.02867	1.1
175.04634	1.7
175.98528	0.5
176.02269	0.6
176.03473	4.2
176.05193	3.5
176.07288	1.0
176.09361	3.9
176.10637	1.2
176.12914	14.6
176.14314	1.1
176.16527	1.3
176.53703	1.2
176.55322	0.7
177.00757	8.3
177.02487	1.2
177.04172	8.9
177.05539	1.0
177.08984	3.6
177.10307	1.3
177.12819	0.7
178.01152	0.4
179.02280	3.3
181.03932	1.4
183.00035	0.9
183.01845	0.5
185.01476	0.5
185.03972	1.6
185.05876	2.2
187.02914	1.1
187.04593	0.6
187.56091	0.6
188.04703	0.4
188.55067	0.6
189.01042	3.6
189.02367	0.8
189.03557	4.8
189.05948	5.2
190.03871	1.5
190.06343	0.7
191.00612	0.8
191.02415	3.7
193.00369	0.8
193.04008	0.5
194.03299	0.4
194.06770	0.6
195.01930	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	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64454	0.4
56.96565	16.9
62.68391	0.5
63.49714	0.5
69.07046	0.6
69.58009	0.7
69.58414	3.2
71.95267	2.6
79.05500	0.8
81.07078	0.6
87.05598	0.6
91.05444	0.7
93.07050	1.1
98.97580	89.1
98.98455	6.0
99.97940	1.1
100.02496	0.6
103.00619	0.8
105.02173	0.8
105.06940	0.5
107.08622	0.6
109.02905	1.0
109.59322	0.5
116.98615	100.0
117.98938	0.9
118.03544	1.1
119.01889	3.6
120.02061	0.9
121.01664	2.0
121.06450	0.6
121.10130	1.3
121.82549	0.5
122.17128	0.6
123.03210	0.6
131.01884	3.0
133.10117	0.5
134.02969	2.7
134.99652	87.8
135.02411	2.0
135.03140	3.7
136.00044	1.2
136.02724	0.8
136.08768	0.5
137.02934	1.6
138.03050	0.6
139.02686	0.6
140.00186	1.6
147.04666	0.5
149.02928	1.7
153.00699	17.3
153.04221	1.0
154.01030	0.6
154.03522	1.5
154.94057	0.6
158.01247	1.6
160.04546	1.2
172.04562	1.8
172.95255	1.1
177.00769	3.0
177.04156	2.6
177.12773	1.1
177.16336	0.5
178.05586	1.0
195.01753	1.3
195.04718	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	177.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03941	4.2
55.01868	3.5
55.05499	0.3
65.03932	0.3
67.05495	0.3
69.03430	0.5
69.07072	0.3
70.02114	0.2
70.06603	0.5
70.07012	0.9
71.01356	2.8
72.08165	0.6
77.03933	0.8
78.04694	0.5
79.05494	17.0
80.05818	0.3
81.03414	7.9
81.07064	1.0
83.01337	0.3
83.05029	0.3
84.61826	0.2
89.03922	1.9
91.05479	10.4
93.07045	10.3
93.07639	0.3
95.04964	7.0
95.08604	0.3
98.98465	3.1
102.04670	0.3
103.05464	20.1
104.05774	0.4
105.03397	1.5
105.04501	1.5
105.07020	2.2
106.04154	0.8
107.04952	16.5
107.08582	1.0
108.05255	0.4
109.02874	100.0
109.06503	1.4
110.03216	1.4
110.07899	0.4
115.05477	0.5
117.03350	2.3
117.07044	0.5
119.04959	0.5
119.08582	0.6
121.02853	0.4
121.06500	13.6
121.10155	0.6
122.06857	0.3
123.04427	0.7
131.04919	9.2
131.08559	0.8
132.05370	0.3
133.02831	1.8
133.06494	0.5
133.10179	0.3
134.03583	0.8
135.04413	2.4
135.08049	0.6
135.11694	0.4
145.02843	3.2
147.04411	0.9
149.02330	0.6
149.05975	12.1
150.06400	0.3
151.03847	0.6
158.84628	0.3
159.04433	3.9
159.07942	0.4
159.11673	0.6
162.03140	0.6
163.03874	0.6
173.33635	0.3
175.03795	0.4
177.05460	12.2
177.09065	1.0
177.12735	1.5
177.16472	0.3
178.05806	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	177.0545
Annotation	Herniarin
Peak:m/z	Relative Intensity
51.02384	0.8
53.00317	0.2
53.03946	4.3
55.01873	3.8
56.56618	0.3
65.03951	0.4
68.26301	0.2
68.99798	0.3
70.75546	0.6
71.01357	2.9
76.77507	0.2
77.03928	1.0
79.05491	16.9
80.08701	0.3
81.03418	8.3
81.07055	1.0
89.03935	0.4
91.05480	11.0
93.07041	8.1
95.04964	7.5
102.04676	0.6
103.05466	20.5
104.05820	0.4
105.03408	1.5
105.04497	1.5
105.07039	1.9
106.04128	0.3
107.04955	14.5
108.05223	0.3
109.02876	100.0
109.06508	1.8
110.03207	2.0
117.03396	0.4
117.06960	0.2
118.83952	0.3
119.04951	0.7
121.06502	11.6
122.06900	0.3
123.04418	0.6
131.04930	8.9
132.05380	0.3
133.02861	2.4
135.04404	1.8
138.06158	0.2
145.02846	0.6
147.04391	1.0
149.02182	0.2
149.05978	8.7
149.07162	0.4
150.06326	0.3
151.03929	0.7
159.04422	3.9
159.05670	0.4
177.03900	0.4
177.05461	8.0
177.08995	0.5
177.79755	0.2
178.05765	0.4
185.53027	0.2
194.00450	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	177.0546
Annotation	Herniarin
Peak:m/z	Relative Intensity
50.01593	0.3
50.40816	0.2
51.02394	0.7
53.03946	4.0
55.01872	3.8
55.05510	3.2
56.05040	0.2
57.03438	0.3
57.07059	0.3
65.03943	0.7
67.05500	1.1
68.99789	0.3
69.03426	2.9
69.07053	1.0
69.84698	1.2
71.01357	3.2
72.08160	1.7
74.13514	0.2
74.13987	0.3
74.31454	0.2
77.03925	0.8
78.04697	0.5
79.05495	17.0
80.05032	0.2
80.05832	0.4
81.03419	7.3
81.07056	2.0
83.01308	0.3
83.04987	1.1
83.07357	0.2
89.03934	1.9
89.05547	0.6
91.05482	14.1
93.03408	0.3
93.07045	13.5
94.60858	0.2
95.04967	8.0
95.08608	0.9
97.06523	0.4
98.21422	0.3
98.97585	0.7
98.98464	3.6
103.05468	21.9
104.05766	0.3
105.03405	1.2
105.04513	1.4
105.07024	4.2
106.04184	0.9
107.04957	17.2
107.08589	4.6
108.05212	0.3
109.02877	100.0
109.06521	2.4
109.10126	0.3
110.03226	2.1
110.07842	1.4
110.72705	0.3
115.05444	0.6
116.06245	0.3
116.98625	0.3
117.03369	2.8
117.06989	1.2
117.23388	0.3
119.04931	0.8
119.06847	0.3
119.08595	2.0
121.02856	0.4
121.06506	15.6
121.10144	2.6
122.06828	0.3
123.04398	0.8
123.08072	3.5
129.03236	0.2
129.06978	0.7
130.07729	0.3
131.01811	0.3
131.04933	9.8
131.06900	0.5
131.08553	2.5
132.05350	0.2
133.02864	2.4
133.06505	0.6
133.10193	1.2
134.03638	1.0
134.99687	0.4
135.04431	2.9
135.08051	5.0
135.11690	2.2
136.08736	0.3
137.09543	0.6
144.09343	0.9
145.02843	3.2
147.04382	1.2
147.08003	0.3
149.02322	0.5
149.05974	14.1
149.09631	0.8
149.13232	0.8
150.06320	0.5
150.10280	0.4
151.03880	0.5
159.04408	4.4
159.05629	0.4
159.08092	0.5
159.10342	0.3
159.11687	5.6
162.03122	0.4
162.10431	0.5
163.03935	0.4
175.03938	0.3
177.05469	11.4
177.09071	1.9
177.11533	0.6
177.12740	15.6
177.16269	0.5
178.04997	1.0
182.35074	0.3
195.06520	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01607	0.3
51.02386	1.0
52.32216	0.3
53.03949	5.9
55.01875	5.5
55.05504	0.4
65.03930	0.7
67.05507	0.6
68.99789	0.6
69.03427	1.3
69.07063	0.3
70.27343	1.3
71.01353	3.3
72.08153	0.6
77.03925	1.9
78.04705	0.5
79.05495	27.4
79.38262	0.3
80.05844	0.5
81.03422	8.8
81.07053	1.1
83.01328	0.4
83.05004	0.4
89.03916	1.7
91.05482	19.6
92.05809	0.5
93.07045	16.1
95.04968	11.6
95.08611	0.6
98.02006	0.3
98.20889	0.5
98.98472	1.1
102.04684	0.8
103.05470	39.8
104.05800	0.9
105.03387	4.0
105.04487	2.2
105.07031	4.6
107.04957	21.3
107.08614	1.8
109.02879	100.0
109.06505	2.4
110.03211	2.1
115.05475	0.7
117.03375	1.4
117.07041	0.8
119.04943	1.3
119.08583	1.0
121.02880	0.6
121.06505	21.6
121.10157	1.1
122.06033	0.5
122.06879	0.7
123.04430	1.1
129.06990	0.4
131.04930	18.1
131.08563	1.0
132.05704	0.6
133.02861	7.1
133.06483	1.3
133.10126	0.7
134.03561	0.6
135.04408	3.7
135.08032	1.2
135.11729	0.8
144.09305	1.0
145.02835	2.6
147.04372	2.2
149.02283	0.4
149.05980	17.4
149.09605	0.7
150.03136	1.0
150.06311	0.5
151.03900	0.8
158.76433	0.3
159.04424	9.1
159.05489	0.4
159.08057	0.4
159.11700	2.7
160.04723	0.4
162.03117	0.5
162.10416	0.4
175.03978	0.5
177.05464	17.7
177.08951	1.5
177.11275	0.6
177.12743	7.4
178.05792	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	177.0546
Annotation	Herniarin
Peak:m/z	Relative Intensity
51.02385	0.5
53.03950	3.6
54.61206	0.2
55.01875	3.3
65.03944	0.5
69.03430	0.2
69.73123	0.2
71.01353	2.7
71.43411	0.3
71.43777	0.2
77.03931	0.7
78.22661	0.2
79.05495	16.1
81.03420	7.6
81.07050	0.7
83.01357	0.3
88.53690	0.2
91.05486	10.7
93.07047	9.3
94.07435	0.2
95.01320	0.3
95.04970	7.2
96.05305	0.3
102.04665	0.3
103.05469	20.8
104.05778	0.3
105.03434	1.3
105.04504	1.3
105.07048	1.4
107.04957	15.9
108.05267	0.3
109.02880	100.0
109.06522	2.0
109.68203	0.2
110.03204	1.7
110.77344	0.3
115.05476	0.4
119.04957	0.5
121.06505	13.9
123.04438	0.8
125.02316	0.2
131.03941	0.5
131.04930	8.5
133.02853	1.9
135.04396	1.8
145.02921	0.2
147.04443	1.4
149.05977	10.4
150.06258	0.2
151.03905	0.6
159.04413	3.9
159.05574	0.5
165.05441	0.3
175.24117	0.2
177.03914	0.5
177.05467	9.8
177.12610	0.2
178.05789	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	177.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.2
50.52277	0.1
51.02378	0.3
51.58525	0.1
52.03168	0.1
53.03942	2.4
55.01871	2.4
55.05508	0.7
56.96553	0.1
57.03442	0.1
62.99065	0.2
65.03930	0.5
67.05504	0.7
67.13610	0.1
68.99818	0.2
69.03431	0.3
69.07075	0.7
69.53628	0.3
69.54047	0.6
71.01356	1.3
74.88180	0.1
77.03927	0.6
78.04700	0.4
79.05491	7.7
80.05826	0.2
81.03414	7.3
81.07052	0.9
83.01350	0.2
83.08607	0.4
89.03916	0.4
90.95010	0.1
91.05480	7.8
92.05823	0.2
93.07042	8.3
94.07355	0.1
95.04964	4.6
95.08610	1.2
98.98463	0.8
103.05464	13.6
104.05782	0.3
105.03382	0.3
105.04490	0.8
105.07030	1.9
106.04169	1.1
107.04955	8.7
107.08595	2.5
107.22570	0.1
109.02874	100.0
109.06508	0.6
109.10148	0.4
110.03208	1.9
110.03876	0.2
115.05430	0.9
116.06250	0.6
117.03339	0.6
117.07021	1.8
119.04929	0.6
119.08570	0.5
121.02840	0.3
121.06499	8.4
121.09261	0.2
121.10137	3.8
122.06797	0.2
123.04411	0.2
125.02328	0.2
129.07008	0.2
131.04935	4.6
131.05983	0.3
131.08554	1.0
132.05357	0.1
133.02803	0.2
133.06482	0.6
133.10127	0.5
134.03622	0.2
134.07289	0.4
135.04387	0.8
135.08018	0.3
135.11676	0.8
135.50574	0.2
144.05655	0.2
144.51230	0.1
145.02820	0.9
145.06432	0.4
147.04404	0.4
147.08012	0.3
149.02245	0.2
149.05980	6.5
149.09613	1.8
149.13297	0.3
150.06462	0.2
152.02330	0.2
159.04407	2.1
159.05646	0.2
159.08087	0.4
159.11690	0.4
161.05995	0.2
162.03098	0.3
162.06764	2.0
175.03879	0.1
177.05498	5.0
177.09099	14.8
177.12607	1.1
177.16396	1.2
178.05740	0.2
178.09392	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	177.0546
Annotation	Herniarin
Peak:m/z	Relative Intensity
51.02382	0.8
53.03948	3.9
55.01874	4.4
55.05497	0.6
55.73456	0.2
56.96561	0.5
64.90810	0.3
65.03944	0.6
67.05495	1.5
68.99776	0.4
69.03427	0.3
69.07069	0.7
69.26391	1.1
69.26812	1.2
71.01360	1.7
72.83662	0.2
77.03944	0.8
79.05496	12.9
81.03422	8.2
81.07058	2.2
83.01381	0.3
83.08603	0.3
91.05484	14.1
92.05828	0.4
93.07046	13.2
95.04391	0.5
95.04972	8.3
95.08620	1.2
97.06538	0.7
98.20801	0.4
98.98471	7.6
102.04682	0.6
103.05472	22.0
104.05788	0.7
105.03422	0.6
105.04506	1.7
105.07040	2.7
106.04169	0.7
107.04962	12.9
107.08602	2.4
108.05267	0.4
109.02880	100.0
109.06509	1.7
110.03217	2.4
115.05453	0.7
117.03384	0.4
117.07037	1.4
119.04939	0.9
119.08584	0.7
121.02896	0.6
121.06508	15.6
121.10121	2.2
122.06880	0.5
123.04457	0.4
125.02351	0.5
129.07030	0.4
131.04933	9.9
131.08565	2.2
132.05501	0.3
133.02812	0.8
133.10100	1.6
133.97485	0.3
135.04387	0.8
135.08054	0.7
135.11685	1.2
145.02849	0.4
147.04445	0.7
149.02367	0.7
149.05991	12.8
149.09651	0.8
149.13274	1.2
150.06343	0.4
151.03838	0.4
159.04410	5.6
159.05649	0.5
159.08139	0.3
159.11696	2.4
165.05495	0.3
177.05473	10.4
177.09042	1.7
177.11258	0.5
177.12737	6.6
177.16371	1.2
178.05940	0.2
183.98671	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03934	3.4
55.05508	16.1
67.05517	10.2
68.29192	1.6
69.07068	27.9
70.68183	4.2
70.68507	1.4
73.46900	1.4
74.10880	1.7
75.59885	1.5
79.05499	32.3
80.05846	1.6
81.03391	1.8
81.07056	66.4
83.08624	15.1
89.03900	1.3
91.05475	11.4
93.07043	57.2
95.04959	3.3
95.06081	2.2
95.08607	62.0
97.10163	7.5
98.98463	4.0
103.05476	5.6
105.04532	1.6
105.07025	7.1
107.04932	4.4
107.08592	90.0
108.08902	1.6
109.02877	15.6
109.06517	2.5
109.10176	16.9
110.03199	1.4
119.08582	3.1
121.06508	3.7
121.10144	100.0
122.07174	1.8
122.10376	1.6
131.01907	5.9
131.04926	1.9
133.10156	1.9
135.11674	18.1
135.40224	1.5
137.09552	1.8
149.05968	3.5
149.13283	7.6
154.03471	3.9
159.08025	1.8
159.09509	1.6
159.11778	1.5
177.05457	3.9
177.09119	2.7
177.11389	3.0
177.12753	6.3
177.16388	76.3
178.13425	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02384	0.7
53.03942	5.4
55.01875	3.6
55.05514	14.9
56.96558	3.1
57.07073	3.2
65.03938	1.8
67.05183	1.2
67.05507	10.7
69.03432	1.5
69.07070	28.4
70.47462	2.6
71.01357	2.3
71.08646	0.6
77.03939	1.4
78.04705	1.6
79.05495	32.2
81.03415	6.7
81.07058	25.3
83.08620	15.0
89.03901	3.4
91.05480	23.4
92.39096	0.6
93.03407	0.7
93.07046	58.5
94.07376	1.5
94.34902	0.6
95.04969	8.9
95.08610	50.9
97.10176	4.4
98.21428	0.8
98.98473	18.2
103.05470	16.6
104.05799	0.7
105.03373	0.9
105.04529	1.8
105.07031	12.6
106.04182	6.8
107.04963	15.5
107.08594	69.5
108.08910	1.5
109.02877	78.3
109.06506	3.2
109.10157	15.2
110.03227	2.6
115.05460	1.6
117.03381	2.6
117.07013	2.9
119.05004	1.0
119.06018	0.8
119.08601	4.0
121.06513	17.1
121.10143	100.0
122.06989	0.7
122.10482	2.1
123.04484	0.6
123.08070	1.7
123.11742	0.7
124.95213	0.7
129.07047	0.7
131.04936	10.6
131.08568	5.3
133.02881	1.7
133.10120	3.4
134.03644	1.9
135.04399	2.9
135.08031	1.8
135.11694	20.3
135.50572	0.8
136.08745	0.7
142.01141	0.8
144.09346	1.0
144.51169	1.0
145.02884	3.9
147.04355	1.0
149.01205	0.7
149.02328	2.4
149.05977	13.3
149.09656	1.9
149.13228	6.9
152.02344	1.1
159.04404	3.6
159.08046	2.4
159.11728	4.1
162.03165	2.7
162.06703	1.0
163.03378	0.6
177.05472	17.9
177.06918	1.1
177.09082	9.0
177.12848	8.8
177.16391	67.1
178.16734	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	178.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03936	0.4
55.01870	0.4
56.96566	13.6
59.02987	0.3
61.46056	0.3
65.03935	1.8
66.04721	9.4
66.49869	0.4
69.07079	0.4
70.78692	0.7
70.79002	0.6
76.03150	2.4
79.05489	1.3
80.05822	0.9
81.03401	0.5
84.50889	0.6
91.05461	2.8
92.05806	0.9
93.07031	0.5
93.44570	0.3
93.51437	1.8
94.04184	11.0
94.07369	0.9
95.04975	0.9
96.05302	0.6
97.99178	0.6
98.50639	3.0
99.00783	0.5
101.62435	0.4
102.51930	2.6
103.13150	0.4
104.02610	1.3
104.05784	1.6
105.03386	0.6
107.04964	0.6
107.51144	21.5
108.01328	1.4
108.05293	1.3
108.49023	2.4
109.02874	3.6
110.03217	6.0
111.99949	0.4
112.50344	2.4
116.00193	1.4
116.51675	8.3
117.01857	0.5
117.49508	2.2
119.01936	1.0
119.04906	2.3
120.01490	1.1
121.00452	1.9
121.02874	4.2
121.06498	0.5
121.10105	0.6
121.50877	16.7
122.01048	1.4
122.03650	9.9
122.06828	0.9
122.10494	0.5
125.00743	0.7
126.50079	14.1
127.00266	1.2
129.00345	0.4
129.02055	1.7
130.00981	0.8
130.51390	10.5
131.01509	0.7
132.02060	1.9
132.05264	0.8
133.01680	0.9
133.02808	0.5
134.01216	3.1
135.50604	100.0
136.00763	10.3
136.50838	1.5
138.00870	1.6
138.02531	0.6
139.51941	0.7
143.01770	18.1
143.51945	3.2
144.51132	70.8
145.01309	7.5
145.51186	0.7
146.03517	0.6
147.01405	17.8
147.04405	7.5
147.51566	1.8
148.01578	0.6
148.04730	0.8
149.01294	0.4
149.02333	2.1
150.03122	91.8
150.06354	2.0
151.03433	0.7
151.51918	0.6
152.02303	68.0
152.52477	6.9
153.02519	1.7
153.51657	6.8
154.01738	0.6
154.52592	6.4
156.01926	13.0
156.52110	1.7
158.52255	1.2
161.02846	12.1
161.52994	1.5
163.53099	15.2
164.03297	1.7
166.03418	0.8
172.53612	0.7
173.03864	0.4
175.03928	3.1
178.02614	43.2
178.05887	1.2
179.03230	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	178.1227
Annotation	Valerianine
Peak:m/z	Relative Intensity
54.10800	0.3
56.96568	1.1
67.05505	0.5
70.63365	0.5
70.63744	0.4
72.47953	0.2
73.02902	0.4
79.05501	0.5
80.05028	0.3
81.07061	0.7
85.02906	0.3
91.05466	1.3
92.04993	0.5
93.05792	0.4
93.07060	0.6
97.02893	0.6
98.97597	0.7
98.98496	0.3
105.07030	1.0
107.08589	0.5
109.06510	0.4
115.05456	0.6
116.98624	0.5
117.07028	1.1
118.06538	6.7
118.07365	0.4
119.04929	0.4
119.07336	8.6
120.07700	0.3
123.04410	0.4
132.08115	0.8
133.02875	0.4
133.06512	0.4
133.10144	0.3
134.09654	55.9
134.99661	0.3
135.09995	1.7
137.05978	1.1
137.08266	0.6
138.06413	0.3
151.07466	0.3
152.93440	0.3
155.99727	0.4
160.11212	1.0
162.09137	2.0
163.09984	1.4
174.00699	0.3
178.12270	100.0
179.03392	0.7
179.07082	0.5
179.09320	0.3
179.12621	4.0
197.01280	0.3
199.02811	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	179.0338
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02389	0.4
53.03948	1.1
61.15643	0.2
62.78312	0.2
64.39874	0.2
67.05511	0.7
69.83627	1.3
72.14188	0.3
77.03925	3.4
79.05498	0.7
89.03920	5.1
91.05483	0.6
95.04972	2.4
105.03391	8.5
105.04477	0.4
105.07035	0.3
107.04958	1.4
109.02871	0.2
109.06431	0.3
117.03370	3.0
120.02106	0.5
123.04428	14.6
133.02850	37.3
135.04408	7.4
137.06116	0.3
145.03981	0.6
147.04469	0.3
151.03938	1.3
161.02357	2.4
165.97852	0.2
179.03387	100.0
180.03717	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	179.0703
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
50.01608	1.0
51.00049	0.7
51.02367	1.7
53.00319	1.1
53.03951	5.3
55.01873	7.2
55.05515	5.6
56.05023	0.7
56.96576	0.9
57.03429	2.4
57.07064	0.9
65.03938	3.1
67.05506	22.7
68.05022	0.9
68.99788	1.2
69.03430	4.4
69.07066	1.6
70.65178	0.8
70.65533	2.4
71.01353	9.2
73.73085	0.7
76.02234	1.6
77.00922	0.8
77.03927	2.6
79.05494	80.8
80.05843	1.6
81.03404	6.4
81.04577	0.9
81.07056	100.0
82.07399	1.2
83.01308	1.3
83.04989	4.7
83.06103	1.2
85.02911	1.4
87.04549	0.8
89.03918	1.6
91.05482	31.0
93.07046	12.7
94.04212	0.9
95.04971	27.3
95.06087	2.5
95.08611	14.0
97.02888	5.8
97.06488	0.9
99.00842	0.9
103.05481	11.0
105.03417	5.5
105.04529	2.5
105.07034	76.3
106.07365	2.4
107.04953	10.5
107.06081	1.0
107.08581	4.3
108.05715	2.4
109.02892	7.5
109.06519	36.5
109.10180	1.3
110.62679	0.6
111.04469	5.1
111.08083	16.8
115.05457	9.9
117.07019	5.5
118.04211	1.1
119.04961	11.3
119.05878	1.3
119.08605	2.5
120.05667	1.2
120.08114	3.3
121.06509	5.8
122.07130	1.0
123.04433	10.7
123.08059	7.4
123.11716	0.9
125.02366	2.8
131.01894	1.1
131.04971	1.8
133.02867	13.1
133.06493	60.9
133.10104	3.6
134.07031	1.8
135.04405	7.6
135.08080	7.3
136.05209	1.5
137.05968	17.2
137.08240	6.4
137.09531	1.7
138.03111	1.0
143.05014	0.8
143.08624	1.2
146.03629	2.1
146.07346	1.5
147.04396	10.3
149.06009	2.5
151.03900	20.9
151.04994	1.5
151.07544	31.5
151.11163	1.1
152.08051	1.3
161.05981	24.7
161.09608	3.8
168.06319	1.2
179.03416	36.9
179.07028	54.5
179.09198	1.7
179.10530	8.2
179.12976	0.8
180.03761	1.1
180.07422	1.0
180.10081	1.2
191.07648	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	179.0703
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
53.03947	5.7
55.01881	4.4
55.05505	5.2
57.03422	0.9
65.03955	3.1
65.07587	0.6
67.05503	21.2
69.03420	2.5
69.86227	2.3
71.01354	2.8
72.74592	0.6
77.03935	1.8
79.05492	100.0
80.05820	2.0
81.03407	5.5
81.07055	45.4
82.07368	0.7
83.01339	1.0
83.04975	2.7
83.06090	1.0
83.08606	0.8
85.02912	1.4
87.74683	0.6
91.04913	1.2
91.05479	22.0
93.07056	5.4
94.04195	1.7
95.01322	1.0
95.04966	28.7
95.08603	7.5
97.02886	4.9
103.05476	7.4
105.03386	4.5
105.04527	1.6
105.07029	45.1
106.07352	0.7
107.04956	9.2
107.08593	2.4
108.05728	1.7
109.02883	5.7
109.06518	37.5
111.04440	5.7
111.08078	25.2
115.05437	6.0
117.07024	9.0
119.04958	3.8
119.06093	0.6
120.08073	2.1
121.06515	2.8
123.04431	7.0
123.08063	4.7
125.02353	0.7
131.04926	1.4
133.02873	4.8
133.06490	30.7
134.07236	0.9
135.04420	6.3
135.08078	1.5
137.05977	20.7
137.08191	1.4
137.09619	0.7
146.07278	1.2
147.04366	2.0
149.05966	0.9
151.03896	30.3
151.07542	8.8
152.07999	0.6
161.05978	7.5
161.09593	1.3
179.03418	14.3
179.07034	37.1
179.10571	4.6
180.03651	0.9
180.07458	0.7
180.10132	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	179.0703
Annotation	(R)-(-)-Mellein
Peak:m/z	Relative Intensity
51.02389	1.1
52.85361	0.5
53.03949	7.4
55.01878	6.1
55.05513	8.7
55.20215	0.5
57.03436	2.2
65.03934	3.0
66.04740	0.5
67.05506	33.3
69.03433	4.1
69.07050	0.5
69.61472	2.6
71.01352	4.8
74.09767	0.5
75.25999	0.5
76.02232	1.8
77.03924	2.1
79.05495	76.3
80.05827	1.6
81.03423	6.9
81.07059	72.6
82.07418	1.2
83.01350	0.9
83.04988	6.0
85.02900	1.6
91.05486	22.7
93.07050	9.2
94.04181	1.6
95.01334	2.1
95.04970	41.7
95.08604	10.4
96.05341	0.8
97.02892	7.3
103.05467	15.1
105.03397	2.1
105.04515	1.9
105.07034	41.3
107.04961	21.7
107.08588	1.1
108.05744	1.7
109.02888	18.4
109.06521	57.7
110.06833	1.1
111.04447	19.3
111.08084	39.0
112.08367	0.8
115.05457	4.1
117.07010	1.9
119.04932	4.3
119.06065	0.8
119.08649	0.6
121.06514	9.0
121.10181	0.5
123.04429	8.2
123.08069	6.4
125.02391	1.0
133.02899	0.8
133.06493	36.5
133.10187	1.2
134.07329	2.7
135.04419	12.6
135.08046	2.3
135.09013	0.6
137.05986	28.4
138.06360	0.6
147.04399	3.2
151.03908	100.0
151.07523	15.6
152.04243	2.0
161.05986	5.2
179.07045	27.5
179.10603	1.1
179.14293	0.9
193.80588	0.5
195.87854	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	179.0703
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.00312	1.2
53.03951	3.8
55.01869	5.6
55.05512	83.5
56.96556	1.7
57.03431	1.7
57.07077	0.9
58.06615	0.9
59.05003	0.9
63.93581	0.7
65.03944	4.7
67.05505	13.9
68.05025	2.5
69.03419	3.4
69.04542	0.9
69.07066	2.4
69.78672	3.7
69.79082	1.4
71.01358	4.0
71.04970	1.0
75.86285	0.7
76.02228	2.1
77.03928	1.1
77.62878	0.8
77.81335	0.8
79.05492	24.2
81.03413	3.3
81.04525	0.8
81.07056	48.2
82.07371	1.0
83.04985	10.5
83.06113	1.5
85.02903	1.2
88.73617	0.7
89.03902	0.9
91.05482	54.5
92.05794	1.0
93.07043	9.4
94.04182	5.7
95.01328	3.0
95.04971	17.5
95.06084	5.1
95.08607	22.6
96.04515	1.0
97.02893	7.9
97.06484	1.5
97.07648	1.4
103.05457	5.9
105.03393	2.2
105.04508	1.1
105.07035	43.5
106.07364	1.1
107.04958	8.3
107.08580	4.7
108.05750	8.4
109.02853	2.7
109.06519	93.7
109.10181	4.0
110.07100	1.4
111.03355	1.3
111.04440	2.7
111.08065	2.5
115.05487	3.8
115.06162	0.9
115.23418	0.7
117.07029	3.6
118.04176	2.6
119.04946	23.0
119.06049	1.7
119.08569	8.2
120.05553	1.7
121.06504	5.8
121.10158	2.3
122.07189	0.8
123.04436	5.0
123.08064	21.2
124.07570	1.3
124.08516	1.1
128.06219	1.0
131.08545	1.1
133.02846	2.7
133.04796	2.4
133.06493	26.4
133.08446	3.6
133.10118	9.7
134.07072	1.6
134.99715	0.9
135.04469	1.4
135.08054	3.1
136.05190	1.4
137.05983	23.8
137.08223	5.3
137.09572	3.8
138.06555	1.9
141.05356	0.8
143.06895	1.3
143.08644	0.9
146.03607	1.4
147.04416	29.8
149.06003	1.9
150.94971	0.8
151.03940	3.8
151.07544	28.4
151.11166	2.0
152.08133	2.7
152.10733	2.4
161.05980	20.6
161.07950	10.6
161.09622	2.5
161.13251	1.4
162.10313	1.2
164.04654	0.8
174.00743	1.6
179.03539	7.6
179.07042	100.0
179.10492	9.7
179.14316	3.3
180.07416	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.96387	0.9
53.03946	7.1
54.63672	1.1
55.01875	8.4
55.05512	28.9
56.96565	1.9
57.03426	2.7
65.03944	5.8
67.05505	94.9
68.05846	1.3
69.03428	1.7
69.07071	18.6
70.41103	2.6
70.41497	1.8
71.04980	2.0
79.05495	72.4
80.05849	1.3
81.03420	21.3
81.07056	100.0
83.04981	36.8
83.08620	14.9
85.06542	4.0
91.05480	49.6
93.07046	44.4
95.04977	13.0
95.08605	71.4
97.06533	32.6
97.10156	2.8
97.60838	1.0
99.08100	2.3
105.07034	26.4
107.08594	13.8
109.06529	5.3
109.10145	12.3
111.08076	8.3
113.09635	8.5
117.06989	2.6
117.29559	0.9
119.08582	32.9
121.10104	6.2
123.08050	4.3
123.11758	1.2
133.10121	21.8
134.61545	1.0
135.11710	7.2
137.09592	1.9
159.11646	2.2
161.13264	17.8
179.14313	56.2
180.14633	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.41669	1.1
53.03939	2.9
55.01857	2.5
55.05511	26.2
55.40606	1.1
56.96566	2.6
57.03438	18.7
57.07076	2.6
58.98620	1.2
59.04999	3.0
65.03934	6.9
67.05507	18.4
68.05019	1.3
68.99783	2.5
69.03423	9.8
69.04542	1.1
69.07069	17.2
69.89225	1.1
71.04986	3.6
71.19639	1.4
71.19978	2.0
75.68522	1.2
79.05495	26.3
80.05798	1.6
81.03423	1.3
81.07057	45.2
83.04973	8.1
83.06123	2.1
83.08623	6.2
83.58150	1.3
85.06537	6.3
91.05482	55.2
93.07043	53.6
93.07492	1.0
93.07645	1.5
95.04977	12.8
95.06083	2.6
95.08605	40.7
96.08959	1.9
97.02854	1.2
97.06512	5.1
99.04311	1.2
99.08073	2.0
103.05486	1.4
105.03387	2.7
105.07029	41.5
107.04955	2.6
107.08596	58.9
107.09325	3.2
108.05717	2.1
109.02882	1.5
109.06520	67.2
109.10168	15.3
111.04436	4.6
111.08060	3.9
115.05446	1.4
117.07020	1.7
119.04943	18.5
119.08581	35.5
121.06510	4.2
121.10145	68.4
122.10518	1.5
123.04404	4.1
123.08071	43.6
123.11662	3.6
125.09628	25.1
127.03938	1.4
131.08536	1.7
133.01640	1.4
133.02826	3.4
133.06480	6.1
133.10130	39.2
135.04442	1.8
135.10715	2.4
135.11694	27.5
136.05205	1.6
137.05960	3.5
137.08247	11.2
137.09573	9.1
137.13243	9.5
138.06616	1.3
145.10179	1.7
147.04410	60.6
151.03783	3.2
151.07547	3.5
151.11159	2.8
151.14807	1.5
161.05951	3.4
161.09619	4.7
161.13257	71.6
162.13599	2.6
179.03397	77.3
179.07034	26.5
179.10738	10.2
179.14304	100.0
180.03716	4.0
180.08113	1.5
180.14647	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	181.0495
Annotation	Aspirin
Peak:m/z	Relative Intensity
50.97485	0.5
52.54784	0.4
53.00306	0.8
53.03944	1.7
54.03470	0.6
55.01880	2.9
55.05511	5.7
55.93510	0.7
56.05030	2.6
56.96564	12.9
57.03442	2.8
57.07074	1.4
58.06604	0.7
59.06128	1.5
61.02924	0.6
65.03940	19.3
67.02984	0.7
67.05509	5.5
68.05024	3.7
68.99772	0.5
69.03431	5.6
69.07067	3.2
69.50377	2.1
69.50802	1.3
70.06593	3.0
70.73364	0.4
71.01360	1.3
71.04990	2.1
71.06116	0.8
71.08614	0.6
71.95247	1.0
72.04521	0.7
72.08152	0.8
73.02914	1.6
74.06077	0.6
76.02217	0.4
77.00769	0.4
78.01791	1.1
79.05496	9.9
80.05021	1.8
81.03421	3.9
81.04533	2.3
81.07062	5.5
82.02968	0.7
82.05315	0.8
82.06573	1.2
83.01337	1.9
83.04978	9.7
83.06097	4.4
83.08631	1.6
84.04513	1.5
84.08142	1.8
84.96029	0.7
85.02911	3.3
85.07706	1.1
89.03921	1.7
91.05482	15.1
93.03402	13.2
93.07043	8.3
94.06558	1.6
95.04970	5.2
95.06087	3.6
95.08089	0.5
95.08610	2.9
96.04485	1.0
96.05624	0.9
96.06902	0.8
96.08138	0.7
97.02891	3.8
97.06533	4.0
97.07659	2.7
97.10170	0.5
98.06067	0.9
98.07179	1.1
98.20774	0.9
98.97581	23.4
99.04460	1.5
99.05593	1.6
101.07139	0.6
103.05495	1.2
105.07034	2.3
105.46333	0.5
106.06544	1.0
107.04949	6.1
107.06075	1.1
107.08591	8.9
108.05700	0.7
108.08109	0.8
109.02902	1.6
109.06518	3.2
109.07661	2.5
109.10149	1.4
110.03650	0.6
110.06070	1.1
110.07161	0.9
111.04442	96.1
111.08041	2.8
111.09206	0.6
111.20078	0.5
112.04794	1.0
113.07174	0.5
114.06657	1.0
115.05435	1.0
116.98622	34.1
117.03382	1.4
117.07024	2.6
118.01222	0.4
119.01846	2.7
119.04962	4.0
119.06098	0.5
119.08607	0.9
120.05597	0.9
121.02857	3.6
121.06503	5.1
121.10137	3.8
122.06045	1.7
122.07169	3.0
123.04439	2.6
123.05547	1.3
123.08038	1.4
123.09267	0.5
124.08730	1.8
125.02402	0.6
125.06014	2.8
125.07086	1.2
125.09655	1.4
127.03926	3.7
128.02338	2.9
128.98605	0.8
131.00226	0.5
131.04973	0.5
134.06030	0.5
134.09676	1.6
134.99655	55.1
135.04411	7.3
135.08058	12.2
135.09065	0.7
135.11696	2.1
136.00032	0.8
136.05135	0.5
136.07581	3.8
136.08688	2.0
136.11249	0.6
137.02914	1.0
137.05978	3.3
137.07019	0.9
137.09601	0.6
138.05525	0.6
138.06641	1.2
138.09061	0.7
138.10233	0.7
139.03900	100.0
139.09805	1.0
139.11116	0.7
139.53178	0.5
140.00278	0.5
140.04257	1.9
140.08177	2.7
141.08965	1.0
145.02869	1.4
145.10091	1.0
146.07167	0.7
146.99628	1.0
149.01292	0.7
149.02321	2.9
149.05917	2.3
150.05496	7.8
151.01563	0.8
151.03882	1.1
153.00711	15.8
153.01793	0.7
153.05511	3.4
153.06839	1.1
153.09091	7.7
153.10229	0.8
154.09724	1.1
157.00171	0.5
158.01254	3.8
158.99632	0.7
160.03877	0.5
163.03900	10.0
163.07550	3.3
163.08615	0.5
163.09862	1.0
163.11195	1.7
163.12363	0.6
163.14842	1.2
164.07025	1.2
164.08220	2.2
167.03415	6.9
168.06602	0.7
169.04468	1.3
173.53087	0.6
175.02779	0.7
176.02287	1.0
176.04100	0.6
177.00743	2.1
178.04883	0.6
181.02608	2.9
181.04947	10.9
181.06308	1.2
181.07094	0.8
181.08466	6.9
181.11072	5.1
181.12263	1.1
181.13426	6.7
181.15909	1.1
182.08156	2.1
193.03485	0.4
199.05653	0.7
203.82437	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	181.0859
Annotation	2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone
Peak:m/z	Relative Intensity
51.02373	1.2
53.03939	6.2
53.50793	1.1
53.59708	1.0
55.01873	11.4
55.05513	27.0
56.05021	1.9
56.96308	1.6
56.96567	19.0
57.03426	4.1
57.07061	3.2
59.06122	1.9
65.03944	11.3
67.05508	18.8
68.05019	3.0
68.99786	1.1
69.03431	37.4
69.07075	15.9
71.01353	5.8
71.04998	7.4
71.49344	1.8
71.95257	2.8
74.06078	1.3
79.05496	48.7
81.03432	6.6
81.04524	1.2
81.07053	21.3
82.06573	1.7
83.01346	15.9
83.04981	63.4
83.06045	5.6
83.08614	4.2
84.04504	1.8
85.02898	9.8
85.06536	2.4
85.07674	1.7
91.05486	47.0
93.03391	3.4
93.07043	45.3
93.07644	1.7
95.04968	20.7
95.06004	1.7
95.08607	10.7
96.08105	1.6
97.02921	6.7
97.06528	22.8
97.07664	4.1
97.10172	1.7
98.07150	1.6
98.97583	75.3
99.04451	4.8
99.05585	2.1
99.33160	1.0
101.02365	1.3
103.05486	7.0
105.03374	1.3
105.04527	2.1
105.07037	14.8
107.01292	3.2
107.04975	14.9
107.08593	52.8
108.05756	5.7
108.08157	1.1
109.02888	3.3
109.06523	16.7
109.07658	1.7
109.10157	8.5
111.04442	34.2
111.08064	11.0
112.07581	2.2
115.05475	9.9
116.98623	100.0
117.07013	19.0
119.04951	3.4
119.08590	5.0
120.05711	2.0
121.02851	6.9
121.06519	24.4
121.09320	2.0
121.10140	16.2
122.06073	2.7
122.07193	4.8
123.04435	5.7
123.05541	2.7
123.08095	11.2
124.08700	1.7
125.02361	4.1
125.06017	14.2
125.06918	1.8
125.09631	8.2
127.03919	59.9
128.04260	1.5
133.06483	1.6
134.99660	93.4
135.04382	5.0
135.08058	84.2
135.11702	5.3
136.05162	1.1
136.07599	13.9
136.08586	2.3
137.05997	10.0
137.09621	3.1
138.06735	2.4
138.09222	1.2
139.03925	6.0
139.07545	4.6
139.09801	2.0
139.11189	4.5
140.00212	2.1
140.08138	2.8
143.07057	4.3
145.02884	1.4
145.06511	1.8
145.10133	4.1
148.05228	1.8
149.02371	3.1
149.05977	14.3
151.03926	1.2
151.07542	7.0
153.00708	21.5
153.05515	7.5
153.07161	1.9
153.09103	49.0
158.01250	5.3
158.99655	1.4
163.03841	5.6
163.07549	31.0
163.08823	2.4
163.11168	10.0
163.14844	3.3
164.01698	5.8
164.07083	4.1
164.08267	2.0
166.06277	3.6
167.03416	5.8
171.06499	1.7
177.00726	1.3
181.05049	11.4
181.08609	63.6
181.10800	4.9
181.12038	10.8
181.15887	4.8
182.08127	4.9
192.29720	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	181.086
Annotation	2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone
Peak:m/z	Relative Intensity
53.03950	5.1
53.69317	0.8
54.07941	0.8
55.01872	8.5
55.05288	0.9
55.05513	7.1
56.05045	1.5
56.96306	1.3
56.96568	18.0
57.03424	2.6
57.07073	1.1
59.06122	1.7
64.67785	1.0
65.03941	7.0
67.05507	12.2
68.05035	1.8
69.03429	5.6
69.07075	5.2
69.07374	0.9
71.00977	1.5
71.01367	24.4
71.01766	1.0
71.04980	1.6
71.95244	3.0
77.03957	0.9
79.05494	36.3
79.77188	0.8
80.05018	1.3
81.03430	4.6
81.04513	1.0
81.06602	1.6
81.07061	26.5
81.07541	1.6
83.01347	5.1
83.04987	11.9
83.06103	2.0
83.08611	3.7
84.04517	0.9
84.08136	0.9
85.02905	3.1
86.02397	1.0
89.02390	2.0
89.03926	1.8
91.05483	41.2
93.03408	1.8
93.07047	100.0
95.04977	15.7
95.06093	2.6
95.08617	9.1
96.05676	1.1
97.02891	3.4
97.06522	4.5
97.07644	1.7
98.97587	72.4
99.04480	1.6
99.05601	1.0
101.02378	3.3
103.05464	4.8
103.74838	0.9
105.03423	2.0
105.04514	2.6
105.07028	11.6
106.04158	1.2
107.01270	1.4
107.04961	14.9
107.07393	1.5
107.08598	28.6
108.08123	11.8
109.02881	3.1
109.06514	12.0
109.10159	2.0
110.06049	1.6
110.07143	1.0
111.04436	3.5
111.05609	1.1
111.06934	1.0
111.08087	34.1
115.05460	12.6
116.98623	94.0
117.03390	1.9
117.07020	35.1
119.04926	2.5
119.06072	1.2
119.08593	4.8
121.02852	7.3
121.06515	11.9
121.10141	11.4
122.07130	1.6
123.00750	1.3
123.04401	2.6
123.05501	0.9
123.08073	3.9
125.02355	36.3
125.06000	8.4
125.09636	1.9
126.05527	5.3
126.09150	3.4
127.03918	19.8
131.41228	0.8
133.06438	1.5
134.99657	94.5
135.04405	7.3
135.08058	67.3
135.11665	3.7
136.07581	18.0
136.08556	2.0
137.06017	4.1
137.09572	1.1
138.05594	1.2
138.06645	1.2
139.03891	10.3
139.07474	1.5
139.09799	0.9
139.11154	0.9
140.00188	3.6
140.07030	2.8
140.08055	1.7
143.03358	1.3
145.02875	2.2
145.06506	4.5
145.10126	1.7
148.05223	1.6
149.02313	1.1
149.05997	5.9
151.07538	5.6
153.00720	18.6
153.05479	4.4
153.09103	3.5
154.08652	4.0
156.95699	0.8
158.01283	7.2
158.99608	1.3
162.99133	1.4
163.02771	1.1
163.03929	10.2
163.07549	37.9
163.11137	5.8
164.07027	14.1
164.08197	1.5
166.06290	1.3
177.00705	2.4
181.05141	6.3
181.08607	35.7
181.10785	3.2
181.12257	4.4
181.15919	2.1
182.08095	14.1
195.01848	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	181.086
Annotation	2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone
Peak:m/z	Relative Intensity
52.91284	1.2
53.03924	3.0
54.03449	1.1
55.01868	11.9
55.05509	29.5
56.05011	1.8
56.96302	1.8
56.96563	18.5
57.03418	4.0
57.07064	1.3
59.06106	3.4
65.03948	8.9
67.05502	24.3
68.05013	3.2
69.03429	46.1
69.07069	17.4
70.06568	1.8
71.01320	1.1
71.04996	10.0
71.48702	1.1
71.49091	1.4
71.95257	1.9
73.02934	1.2
79.05494	41.8
80.05012	1.7
80.05805	1.0
81.03400	3.4
81.04539	3.0
81.07063	15.3
83.01339	28.3
83.04980	100.0
83.06074	5.0
83.08601	2.7
84.04500	2.1
85.02908	14.2
85.07643	1.3
89.03905	4.8
91.05482	27.6
93.03383	3.9
93.07040	21.2
94.06578	1.3
95.04971	25.1
95.06072	3.7
95.08588	4.6
97.02903	7.7
97.06534	32.5
97.07624	3.7
98.97581	69.5
99.04457	11.1
99.05556	2.2
103.05453	2.0
105.07028	10.5
107.01382	1.3
107.04961	11.7
107.08591	70.9
107.12377	1.1
108.05744	7.2
108.08859	1.2
109.02874	1.8
109.06527	13.4
109.07652	2.8
109.10157	9.3
110.07216	1.7
111.04442	57.4
111.08064	9.8
112.04787	1.4
114.06694	1.2
115.05441	4.7
116.98618	85.9
117.03366	4.5
117.07008	12.9
119.04906	1.9
119.06055	1.3
119.08539	1.4
120.05739	1.0
121.02841	5.5
121.06509	11.9
121.10128	3.9
122.07226	6.1
123.04429	6.0
123.05544	2.3
123.08051	5.2
124.08645	1.2
125.05994	15.9
125.06936	1.8
125.09626	12.0
127.03927	8.7
134.99661	78.9
135.04416	11.9
135.08051	92.4
135.11685	2.0
136.07570	3.5
136.08640	2.5
137.05988	5.2
137.09737	1.1
138.06650	1.3
139.03905	5.1
139.07507	3.0
139.09731	2.1
140.00166	1.6
140.08182	1.8
143.07051	6.2
145.02835	4.7
147.05518	1.9
149.02339	3.3
149.05981	2.8
151.07458	1.5
153.00705	16.6
153.01884	1.0
153.05487	7.7
153.09105	85.9
154.09639	2.8
158.01245	5.9
158.99660	1.2
163.03905	26.5
163.05254	2.0
163.07539	26.3
163.11174	3.0
164.07019	2.2
164.08255	2.9
167.03377	5.9
176.02254	1.8
177.00723	2.6
180.59998	1.9
181.05124	8.5
181.08589	45.2
181.11035	6.5
181.12270	3.1
182.09138	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	181.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.2
53.03939	6.2
53.50793	1.1
53.59708	1.0
55.01873	11.4
55.05513	27.0
56.05021	1.9
56.96308	1.6
56.96567	19.0
57.03426	4.1
57.07061	3.2
59.06122	1.9
65.03944	11.3
67.05508	18.8
68.05019	3.0
68.99786	1.1
69.03431	37.4
69.07075	15.9
71.01353	5.8
71.04998	7.4
71.49344	1.8
71.95257	2.8
74.06078	1.3
79.05496	48.7
81.03432	6.6
81.04524	1.2
81.07053	21.3
82.06573	1.7
83.01346	15.9
83.04981	63.4
83.06045	5.6
83.08614	4.2
84.04504	1.8
85.02898	9.8
85.06536	2.4
85.07674	1.7
91.05486	47.0
93.03391	3.4
93.07043	45.3
93.07644	1.7
95.04968	20.7
95.06004	1.7
95.08607	10.7
96.08105	1.6
97.02921	6.7
97.06528	22.8
97.07664	4.1
97.10172	1.7
98.07150	1.6
98.97583	75.3
99.04451	4.8
99.05585	2.1
99.33160	1.0
101.02365	1.3
103.05486	7.0
105.03374	1.3
105.04527	2.1
105.07037	14.8
107.01292	3.2
107.04975	14.9
107.08593	52.8
108.05756	5.7
108.08157	1.1
109.02888	3.3
109.06523	16.7
109.07658	1.7
109.10157	8.5
111.04442	34.2
111.08064	11.0
112.07581	2.2
115.05475	9.9
116.98623	100.0
117.07013	19.0
119.04951	3.4
119.08590	5.0
120.05711	2.0
121.02851	6.9
121.06519	24.4
121.09320	2.0
121.10140	16.2
122.06073	2.7
122.07193	4.8
123.04435	5.7
123.05541	2.7
123.08095	11.2
124.08700	1.7
125.02361	4.1
125.06017	14.2
125.06918	1.8
125.09631	8.2
127.03919	59.9
128.04260	1.5
133.06483	1.6
134.99660	93.4
135.04382	5.0
135.08058	84.2
135.11702	5.3
136.05162	1.1
136.07599	13.9
136.08586	2.3
137.05997	10.0
137.09621	3.1
138.06735	2.4
138.09222	1.2
139.03925	6.0
139.07545	4.6
139.09801	2.0
139.11189	4.5
140.00212	2.1
140.08138	2.8
143.07057	4.3
145.02884	1.4
145.06511	1.8
145.10133	4.1
148.05228	1.8
149.02371	3.1
149.05977	14.3
151.03926	1.2
151.07542	7.0
153.00708	21.5
153.05515	7.5
153.07161	1.9
153.09103	49.0
158.01250	5.3
158.99655	1.4
163.03841	5.6
163.07549	31.0
163.08823	2.4
163.11168	10.0
163.14844	3.3
164.01698	5.8
164.07083	4.1
164.08267	2.0
166.06277	3.6
167.03416	5.8
171.06499	1.7
177.00726	1.3
181.05049	11.4
181.08609	63.6
181.10800	4.9
181.12038	10.8
181.15887	4.8
182.08127	4.9
192.29720	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	181.0859
Annotation	2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone
Peak:m/z	Relative Intensity
53.03945	3.6
55.01881	3.6
55.05510	10.5
56.96566	3.5
57.03433	1.5
65.03933	2.0
67.05508	3.6
69.03423	1.8
69.07058	1.4
69.50938	3.2
71.01368	0.7
71.04993	1.4
71.95290	0.4
77.03908	0.5
79.05493	17.9
81.03426	4.0
81.07056	5.4
82.07413	0.5
83.01339	0.9
83.04981	15.1
83.05483	0.7
83.06089	0.6
83.08619	0.5
85.02904	1.0
89.03915	0.7
89.15861	0.4
91.05484	18.4
92.06255	0.4
93.03411	0.5
93.07044	17.7
95.04980	5.8
95.06054	0.4
95.08604	3.0
96.77526	0.4
97.02886	1.0
97.06524	1.9
97.07635	0.7
98.21426	0.9
98.97581	15.7
99.04456	1.4
99.05585	0.5
101.02378	0.5
101.59798	0.5
103.05466	3.0
105.04520	0.5
105.07034	8.4
107.04948	8.0
107.08591	16.3
109.02877	5.2
109.06509	5.9
109.07664	0.5
109.10169	0.6
111.04446	3.3
111.08067	2.3
115.05468	3.2
116.91737	0.5
116.98625	17.7
117.07018	10.6
119.04960	0.8
119.06058	0.6
119.08588	1.1
121.02872	1.3
121.06507	7.5
121.10120	2.6
122.07147	0.7
123.04438	1.4
123.05540	0.5
123.08061	5.2
123.08917	0.7
125.02319	1.4
125.05975	3.4
125.09586	0.6
127.03915	100.0
128.04239	1.2
133.06506	2.1
134.99652	13.8
135.04417	3.1
135.08054	26.7
135.11674	1.7
136.07545	1.8
136.08530	0.6
137.05945	2.1
137.09619	0.6
138.03099	0.5
138.06665	0.6
139.03935	0.9
139.07539	2.3
139.11162	0.5
140.08096	0.6
145.06473	0.9
145.10083	0.9
149.02319	0.7
149.05952	3.4
151.07552	6.4
153.00706	3.5
153.05473	3.9
153.09097	5.7
158.01254	0.9
158.99661	0.5
163.03925	2.0
163.07542	17.8
163.11185	1.1
164.07007	1.0
166.06248	1.1
167.03426	1.1
170.07779	0.4
171.86353	0.4
181.05191	2.0
181.08595	25.6
181.10904	1.1
181.12213	1.7
182.08990	0.6
196.93355	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	182.0811
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03940	1.4
55.01868	0.3
65.03944	0.7
67.05511	1.3
77.03928	0.4
79.05484	1.4
80.05013	0.3
80.05822	0.3
81.03407	0.3
81.07060	0.5
81.61440	0.2
91.05482	4.8
92.05807	1.0
93.05767	0.8
93.07039	3.6
94.06583	0.3
94.07359	1.1
95.04972	3.4
96.05276	0.5
104.05786	0.6
105.04520	0.4
108.04484	0.4
108.08118	2.4
108.08816	0.3
109.06496	0.3
110.05928	0.2
118.06472	0.3
121.06525	0.4
122.06020	0.9
122.06853	1.1
123.04399	1.3
126.05505	2.1
126.06327	0.3
136.07571	100.0
137.06073	0.3
137.07919	1.6
140.07045	3.2
141.95302	0.2
149.05959	0.3
150.02652	0.2
150.06320	2.6
151.03868	0.5
164.07056	50.0
165.05486	1.3
165.07449	1.0
171.52412	0.2
182.08023	0.5
183.06535	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	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03939	1.5
55.01877	0.2
55.05515	0.3
56.96568	0.5
59.71361	0.2
65.03950	0.5
67.05508	0.6
70.02968	0.3
70.22746	0.4
70.23148	0.3
73.00494	0.2
77.03943	0.6
79.05482	1.2
80.05032	0.3
80.17092	0.2
81.03428	0.3
81.07059	0.6
82.97197	0.1
87.69592	0.2
87.74190	0.1
91.05482	4.5
91.06039	0.3
92.05802	0.2
93.05784	0.7
93.07047	3.8
93.07581	0.3
94.06566	0.6
94.07372	0.2
95.04964	3.5
95.05952	0.2
95.08666	0.2
96.05310	0.2
98.97574	0.4
100.07674	0.2
105.04529	0.5
108.04488	0.5
108.08119	2.2
110.86330	0.2
116.98630	0.5
117.98983	0.2
118.06570	0.2
122.06026	0.8
122.10493	0.4
122.82765	0.2
123.04472	0.8
123.05488	0.2
126.05520	2.0
126.09219	0.2
128.01219	0.2
134.99663	0.5
136.07578	100.0
137.01779	0.3
137.07953	1.2
138.05482	0.9
140.04712	0.3
140.07083	2.9
140.08122	0.4
142.70865	0.2
150.06352	0.2
155.06972	0.2
164.07063	52.6
165.07419	0.6
182.08029	1.2
182.12550	0.3
182.15373	0.6
182.18987	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	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02361	0.8
53.03944	4.9
55.01886	1.8
55.05516	5.9
56.05058	1.3
56.96563	6.5
57.03455	1.7
58.02984	2.2
58.06605	1.3
65.03942	4.9
67.05508	20.6
67.05846	1.4
68.05039	1.9
68.05858	1.1
69.03446	2.0
69.07069	5.2
70.02959	1.2
70.06601	1.6
70.98134	0.9
71.01360	2.0
79.05495	32.8
80.05036	2.7
80.05833	2.2
81.03422	1.4
81.07058	40.6
82.06600	1.8
82.07405	2.2
83.01355	0.9
83.04993	1.7
83.06145	0.9
83.08610	1.5
84.04534	1.2
84.05306	0.7
84.08156	2.8
86.01997	0.8
86.02428	5.3
88.99147	0.9
90.08224	0.7
91.05482	7.7
92.05025	1.8
92.05799	4.7
93.05788	6.7
93.07040	6.0
94.06590	2.5
94.07397	8.6
95.04972	13.9
95.05503	1.1
95.08620	2.1
95.77457	0.7
96.04516	3.7
96.05260	1.0
96.08098	0.9
96.08968	1.4
97.02945	1.1
97.05264	1.2
97.06532	9.5
97.07652	1.0
98.06071	4.0
98.07223	1.3
98.09704	3.5
98.97595	3.7
99.04456	1.3
99.97920	1.4
100.99194	0.8
105.03401	1.1
105.04530	1.1
105.07045	1.2
106.06598	1.3
106.07346	0.9
107.07349	3.5
107.08571	1.5
108.04500	1.7
108.05270	1.6
108.08125	54.0
108.08879	3.3
109.02862	1.0
109.06534	8.6
109.08458	1.1
109.10187	2.2
110.06098	4.7
110.06775	1.3
111.08052	1.8
112.07689	1.5
112.08358	4.5
116.05814	1.7
116.98628	5.4
117.98969	1.6
118.03671	0.7
118.06541	2.4
118.07371	4.8
119.01879	1.1
119.08537	1.0
120.04497	1.3
121.05238	4.5
121.06520	1.4
122.06035	6.4
122.06812	1.6
122.10473	1.1
123.04436	9.0
123.05507	1.9
123.06756	1.6
123.08066	1.3
124.05244	1.0
124.07623	1.9
125.02363	2.3
125.06001	27.0
126.02709	3.5
126.05519	30.9
126.09155	18.3
126.97070	1.2
127.03887	1.5
127.07525	1.6
128.04251	1.3
134.06023	1.8
134.99655	7.0
135.08069	1.4
135.99976	3.0
136.07571	100.0
136.08411	6.2
137.06018	1.3
137.08003	1.2
137.09627	1.8
138.05489	3.4
139.09801	0.9
140.04651	1.7
140.07069	3.7
140.08180	4.2
141.05464	1.4
144.03108	0.8
144.98087	1.7
146.06790	0.8
152.07024	1.3
153.00752	1.6
153.05423	1.8
153.07848	3.2
154.07390	1.4
154.08624	24.2
155.07028	1.5
158.99611	2.1
162.99104	2.7
164.07028	79.4
165.07437	2.2
167.07027	4.7
171.55539	1.6
177.00735	5.3
180.56029	3.1
181.05045	1.2
182.00900	1.6
182.08098	82.7
182.15277	0.9
182.19046	1.5
183.06444	2.3
183.08440	1.8
183.10081	1.5
195.01735	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	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
50.15290	0.2
53.03945	0.4
55.01854	0.6
55.05496	0.8
56.05032	0.3
56.96563	2.2
57.03450	0.4
58.06589	0.3
59.01054	0.3
59.06106	0.4
65.03940	0.8
67.05498	0.9
68.05017	0.7
69.03417	0.6
69.07059	0.4
69.85511	1.5
70.06599	0.7
71.05011	0.4
73.02927	0.3
74.02438	1.2
74.24000	0.3
79.05489	1.2
80.05001	0.6
80.51086	0.3
81.04539	0.4
81.07053	1.1
82.06570	0.4
82.07403	0.3
83.04970	0.5
83.06104	0.7
84.04496	0.6
84.08132	0.4
84.96015	0.3
85.02903	0.5
86.06073	0.4
91.05482	32.4
92.05816	0.8
93.05798	0.3
93.07048	1.3
94.06538	0.8
95.04380	0.5
95.04965	5.6
95.06090	0.6
96.08128	0.5
97.02888	0.6
97.06536	0.3
97.07645	0.3
98.06033	0.5
98.20827	0.4
98.97587	1.2
99.97861	0.3
101.18598	0.3
103.05450	1.3
105.03403	0.3
106.06601	0.4
107.04942	1.0
107.06079	0.4
108.04456	0.5
108.05241	0.6
108.08145	1.3
108.08842	0.3
109.06561	2.3
109.07635	0.7
110.06039	0.7
111.04446	0.5
111.05530	0.4
111.09139	0.4
112.07632	0.5
116.98637	1.3
118.03543	0.4
118.06533	3.1
119.01866	0.7
119.04942	34.7
120.05238	0.6
121.06487	0.6
122.06021	1.4
122.07063	0.4
123.04427	14.2
123.05408	0.5
123.09171	0.3
124.04784	0.6
124.07590	0.4
125.07117	0.6
134.05994	0.7
134.99655	1.3
136.07574	100.0
137.06065	0.6
137.06972	0.4
137.07997	1.5
138.09195	0.3
139.03905	0.3
140.04613	0.5
140.07114	0.4
140.08183	0.9
143.00185	0.3
146.06006	0.3
147.04404	5.7
153.05464	0.9
154.08598	0.8
155.08206	0.3
158.99634	0.7
160.04457	0.4
164.07056	2.6
164.08261	0.5
165.05487	7.1
167.03452	0.4
177.00763	0.8
181.04900	0.6
182.00893	0.5
182.05701	0.9
182.08043	5.6
182.11549	0.5
182.15437	1.1
182.19012	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	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03942	0.8
55.01872	3.4
55.05501	1.5
55.47993	0.5
56.05024	0.9
56.96564	22.0
57.03434	6.2
58.99859	0.9
61.02920	3.0
65.03930	0.6
67.05489	2.2
69.03427	5.8
69.47699	3.5
69.48119	1.0
70.98119	0.5
71.01343	1.2
71.04976	1.1
73.02918	9.5
74.97615	1.2
77.00893	1.3
78.95277	1.6
79.05489	1.2
80.05020	0.7
81.03423	2.9
81.07077	1.0
83.00790	1.4
83.04972	1.8
84.08160	0.5
84.96033	2.8
85.02901	7.7
87.04455	1.0
88.08962	0.5
89.00792	1.5
90.01543	1.4
91.02459	0.7
91.05482	31.2
92.01299	0.7
92.05798	0.6
93.07008	1.2
94.06537	1.5
95.04388	1.1
95.04964	15.2
96.04486	0.6
96.08150	1.0
97.00489	0.6
97.02885	7.6
98.01275	1.3
98.03136	0.6
98.20839	0.7
98.97578	12.1
99.02036	0.8
99.04463	1.8
99.97896	0.9
100.02499	3.4
100.70689	0.5
100.96243	0.5
101.00854	2.2
101.02312	0.6
101.73266	0.6
102.02374	1.6
103.05483	1.3
104.01302	0.7
106.06581	0.5
107.01774	0.7
107.04945	1.1
108.04486	1.3
108.08123	2.7
109.02879	1.1
109.06498	1.7
110.01280	1.8
110.06047	1.3
110.09642	0.7
110.97562	1.7
111.02193	0.5
111.02931	1.8
111.04443	1.4
112.01015	0.7
112.07625	0.7
112.39561	0.5
113.00845	0.6
113.01771	1.4
114.02385	0.9
115.00634	0.7
115.02404	0.8
115.03944	0.7
116.98618	11.3
117.98972	1.7
118.03517	3.0
118.06525	1.8
119.01888	12.7
119.04936	35.3
119.97879	2.5
120.02625	1.1
120.03402	0.5
121.01534	1.5
121.06497	1.1
122.01225	0.7
122.02335	0.6
122.06049	2.8
122.94279	0.8
123.04427	51.4
123.06814	1.4
124.04723	0.6
124.07607	1.0
125.04362	0.5
127.01465	0.5
127.03924	2.9
128.02318	5.2
128.98621	3.2
130.01907	0.6
131.00185	0.9
131.01880	10.3
132.03477	1.1
133.01656	1.1
133.03464	1.9
134.99667	8.4
136.00008	2.3
136.07571	100.0
137.02838	2.9
137.05981	1.8
137.07924	0.9
138.03398	0.9
138.05498	1.7
138.09123	2.2
140.04669	0.6
140.07062	1.5
140.95244	0.7
142.03554	1.8
143.00191	1.3
143.01839	2.9
144.03432	0.7
144.99825	2.1
145.03438	3.3
146.02213	0.8
146.06047	0.8
146.99651	3.6
147.01363	1.0
147.03297	1.0
147.04378	15.5
149.01178	1.0
149.02966	6.0
150.02754	0.6
153.00700	2.1
154.03491	5.6
154.04697	1.0
154.08601	4.2
155.01865	2.9
157.03493	2.1
158.96292	2.0
158.99632	4.2
159.01483	0.9
159.03139	1.2
159.05003	2.0
160.04553	1.8
161.01237	1.8
161.02951	7.3
161.04524	1.1
162.03616	0.9
162.99200	1.2
163.00858	0.9
163.04491	1.1
163.96826	1.4
164.03412	1.0
164.07037	4.9
164.10803	0.8
165.00745	1.1
165.05469	25.1
167.02002	0.8
168.01413	1.3
168.03629	0.7
168.05130	0.6
170.05106	1.7
171.04095	3.0
172.04561	2.1
173.01404	0.9
173.02913	4.8
177.00714	8.6
177.02446	4.2
177.04158	0.9
177.06108	0.7
179.02242	0.6
181.97850	1.6
182.01201	0.8
182.02893	2.3
182.04584	1.3
182.06696	0.8
182.08099	12.6
182.11638	4.2
185.02942	3.1
187.00310	0.7
189.00742	1.7
191.03951	0.7
195.01775	1.5
195.03398	1.3
197.03116	1.0
200.04077	2.2
201.00711	1.8
201.02449	0.6
203.04034	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	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03948	0.9
53.78780	0.8
55.01870	0.8
55.05508	6.6
57.03418	2.2
57.07059	3.7
58.02678	1.7
58.02961	32.2
67.05141	1.1
67.05504	20.8
67.78788	0.9
69.07068	57.6
70.06570	2.4
74.06081	1.3
79.05502	5.0
81.07050	20.7
83.04997	1.7
83.08636	7.1
84.08154	9.9
86.06050	0.9
91.05458	4.7
93.07041	8.1
95.04982	2.2
95.08607	8.0
97.06516	3.9
98.06035	1.7
98.09678	2.7
98.97592	4.1
99.97914	2.6
100.07619	5.3
101.17434	0.9
105.07030	13.7
107.08588	16.6
109.06497	2.3
109.10155	42.5
112.07591	2.6
114.09166	15.6
116.98627	4.9
117.98954	2.6
119.08520	1.5
121.10158	2.1
123.07994	0.9
123.11720	7.7
126.09147	14.0
126.12714	1.0
133.09146	1.7
133.10133	31.4
134.99649	3.4
135.11684	18.7
135.99959	2.0
138.12779	19.7
140.10689	2.5
147.11691	4.0
151.11172	10.5
153.12747	11.8
154.15857	1.8
158.01199	1.4
164.14333	2.4
164.84039	1.2
165.12738	3.3
182.15401	100.0
183.15697	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	183.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
56.05033	1.2
56.96561	0.9
57.07064	0.4
58.03581	0.2
58.06587	0.4
58.99859	0.2
59.06126	1.2
60.04514	0.3
67.05511	0.6
68.05025	0.6
69.83797	1.1
70.06586	0.7
70.72629	0.3
71.04997	0.5
72.08152	0.3
79.05501	0.3
81.04533	0.2
81.07050	0.3
82.01453	0.3
82.99402	0.2
82.99857	1.1
83.04977	0.3
83.06099	4.1
85.07679	0.4
86.06081	0.4
87.33024	0.2
95.04964	1.4
95.06092	0.5
95.08609	0.6
97.07677	0.7
98.06049	0.4
98.97601	0.4
98.98454	0.5
99.04477	0.3
99.05542	0.6
100.02467	1.8
101.00875	12.2
105.03386	1.2
109.07650	1.4
116.00240	0.4
116.98623	0.4
118.03523	11.3
119.01919	100.0
120.02021	1.4
122.07114	0.3
123.04424	1.2
123.08036	0.4
124.02404	2.8
124.08700	0.6
125.07126	1.3
127.08724	0.3
130.37701	0.3
134.01265	0.5
134.99651	0.4
136.04558	10.9
136.08701	0.5
137.02957	46.9
137.09552	0.4
137.97104	0.3
138.03171	0.5
138.10287	0.3
140.04677	0.5
140.08231	0.5
141.05092	1.3
142.03494	48.0
143.03661	0.8
148.08681	0.4
152.05885	0.4
155.07007	0.4
156.05026	0.3
158.06650	0.3
159.03165	0.3
159.06168	3.8
160.04550	67.1
161.02931	3.4
161.04251	1.8
165.05124	1.0
166.09772	0.8
174.06186	0.5
177.00941	0.7
177.04120	0.4
177.07153	0.5
178.03990	1.0
178.05603	30.2
178.87221	0.3
179.03983	6.2
179.05511	0.8
183.04652	0.3
183.06178	5.3
183.12390	0.7
184.04492	0.7
184.06006	0.3
201.05481	0.4
201.07188	4.6
202.05589	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	183.0651
Annotation	Jasminanhydride
Peak:m/z	Relative Intensity
50.01594	0.5
51.02379	1.0
53.03947	10.4
55.01872	5.0
55.05511	2.4
55.31549	0.4
56.05031	1.4
56.96562	9.3
57.03438	2.9
57.07066	0.7
59.04997	1.3
59.06126	3.7
60.04519	0.7
61.02934	1.1
61.40260	0.4
65.03934	5.7
65.88946	0.4
67.05138	0.9
67.05502	16.1
67.86154	0.4
68.05017	0.7
69.03422	5.3
69.07071	3.3
70.03748	1.1
70.06599	2.3
70.98138	1.2
71.01353	1.0
71.04982	3.0
71.08646	0.4
71.48851	0.6
72.08146	0.7
73.02907	1.7
74.97603	0.6
77.03931	1.4
77.41638	0.4
79.05486	6.9
80.05817	0.6
81.03424	4.8
81.04523	0.4
81.07056	9.5
83.01319	0.4
83.04988	2.8
83.06093	1.9
84.04490	0.6
84.08147	0.5
84.96020	0.5
85.02901	3.3
85.06094	0.5
85.06548	1.7
85.07682	0.9
86.03233	1.0
86.08463	0.8
87.04462	0.7
88.99155	0.6
91.00523	1.3
91.05482	11.0
93.03397	1.3
93.07044	8.8
94.04182	0.9
95.04965	100.0
95.08602	7.2
96.05315	1.2
97.02892	6.8
97.06531	1.6
97.07630	1.1
98.03225	1.6
98.06062	0.7
98.97568	2.4
98.98480	1.5
99.04452	1.8
99.05576	1.0
99.08102	0.5
100.01045	0.8
100.07611	0.5
101.07136	0.7
101.95084	0.5
103.05449	0.6
103.50699	0.4
105.03413	2.8
105.04504	6.4
105.07018	3.7
107.04961	1.2
107.08578	2.1
109.02893	1.8
109.06535	3.8
109.07638	2.3
109.08297	0.4
109.10150	5.2
110.03699	0.6
110.06046	0.8
110.09645	0.5
111.04455	3.5
111.08057	1.3
111.09261	0.5
113.06005	1.0
113.09704	0.5
114.01456	0.4
114.06646	0.7
116.98625	1.9
117.07028	0.9
118.98211	0.4
119.01904	1.8
119.03642	0.8
119.04937	2.7
119.08583	5.4
119.53804	1.0
121.03999	0.7
121.06467	2.1
121.10144	1.0
122.03588	0.7
122.07167	0.7
123.04428	75.6
123.08047	5.3
124.04736	1.2
124.07606	1.0
124.08694	1.3
125.02367	6.2
125.06013	1.6
125.07101	2.6
125.09610	1.3
127.03896	1.3
127.07495	0.7
128.04172	2.5
128.54288	2.0
128.98636	1.0
129.04381	1.3
132.05716	1.0
133.01718	1.4
133.02777	0.8
133.06531	0.8
134.99655	1.2
136.08714	0.6
137.02982	0.8
137.05968	4.0
137.07916	1.3
137.09608	4.7
137.13211	0.5
138.06628	0.7
138.09146	0.8
139.03862	1.8
139.07547	0.8
140.04680	28.9
140.08211	1.3
141.05472	9.5
142.03426	1.0
142.09813	0.5
146.99600	0.8
147.04350	5.5
147.08066	1.8
147.11615	0.6
148.08665	0.6
151.07585	2.5
153.06960	0.5
153.09106	1.2
153.55031	0.8
155.03368	1.2
155.07025	19.4
156.07275	0.4
158.99631	0.6
159.03316	1.6
160.04660	0.6
161.01202	0.6
161.04803	0.4
161.54796	0.7
165.05487	1.4
165.07462	1.2
165.09109	2.4
165.11273	0.5
165.12642	0.5
166.08577	1.0
166.09795	1.4
168.04166	0.6
173.06641	0.6
177.00739	0.8
177.04379	5.7
178.04620	3.7
183.02950	0.5
183.06522	6.0
183.10240	4.0
183.12434	1.8
183.13824	0.6
184.09734	0.5
191.55782	0.6
192.05949	0.5
195.05408	1.4
196.05653	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	183.1017
Annotation	GSIR-1
Peak:m/z	Relative Intensity
51.02379	2.3
53.03948	12.1
55.01872	9.2
55.05511	7.8
56.05024	1.8
56.96565	15.2
57.03434	4.7
59.04987	0.9
59.06120	4.4
65.03934	8.2
67.05505	40.3
68.05021	1.0
68.05807	0.7
69.03425	8.1
69.04549	0.7
69.07075	7.7
70.06591	2.0
70.71770	1.8
71.01325	0.7
71.04990	12.9
72.08150	1.0
73.02926	1.2
77.03917	1.9
79.05495	31.2
80.05032	0.7
80.05841	0.9
80.06274	0.6
81.03428	6.0
81.04546	0.8
81.07056	16.5
82.06583	1.3
83.04979	6.4
83.06088	2.0
83.08612	1.6
84.96036	3.0
85.02901	2.7
85.06541	2.5
85.07655	1.0
91.05480	65.5
92.05799	2.7
93.03424	1.0
93.07043	56.3
94.07353	0.7
95.01359	0.8
95.04966	100.0
95.08608	13.2
96.05309	2.5
97.02902	3.6
97.06536	4.7
97.07648	2.4
98.06065	1.3
98.07185	0.8
98.97589	9.5
98.98479	1.1
99.04462	3.3
99.05577	0.9
103.05470	2.6
105.03390	2.8
105.04523	5.0
105.07047	10.2
107.04955	4.1
107.08587	11.5
109.02885	1.9
109.06518	10.5
109.07653	2.4
109.10162	11.3
110.97543	2.1
111.04443	9.1
111.08074	3.9
113.05997	3.1
115.05461	1.0
116.31252	0.7
116.98632	8.8
117.07006	4.9
119.01927	2.4
119.04936	18.4
119.07718	1.4
119.08581	26.7
120.05265	1.3
120.08982	0.7
121.06525	4.5
121.07275	0.6
121.10166	4.0
122.03615	1.5
122.07213	0.7
123.04429	60.7
123.08058	8.0
123.11708	0.8
124.04732	1.9
124.07606	1.9
124.08723	2.7
125.02325	3.9
125.06000	2.3
125.07129	2.3
125.09647	4.3
126.06557	0.7
127.03913	1.6
128.43294	0.6
128.98602	3.9
129.07007	1.1
133.02876	1.1
134.99655	4.4
135.08038	5.2
135.08931	0.9
136.07568	0.7
137.03064	1.0
137.05991	4.5
137.08011	4.3
137.09610	18.5
138.09125	1.8
138.10193	0.7
139.03917	1.1
139.07529	1.7
140.04691	19.7
141.05466	15.6
141.09146	0.7
142.03525	1.1
143.00153	1.9
146.99658	4.3
147.04408	39.9
147.08049	5.7
148.04741	3.2
148.08676	1.1
149.07025	0.7
151.03859	0.8
153.05533	0.6
153.09099	5.3
153.11496	0.6
155.03415	1.1
155.05817	0.8
155.07027	12.7
158.99696	1.5
160.04544	1.5
161.01199	4.0
163.03966	0.7
165.00645	1.1
165.05481	1.8
165.07468	3.2
165.09126	11.7
165.12755	0.7
166.09767	1.1
168.07350	0.9
170.99657	0.9
177.00742	3.0
179.02371	0.9
183.06584	5.9
183.08008	1.0
183.08615	0.9
183.10147	15.1
183.12506	1.3
184.07520	0.9
184.09569	0.8
189.00789	1.1
201.00684	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	183.1014
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
53.03954	7.2
55.01872	16.5
55.05507	10.0
56.82050	0.9
56.96574	1.2
57.03424	5.1
57.07069	2.0
59.04998	1.8
59.06118	3.8
64.66425	0.9
65.03928	3.5
67.05504	57.2
68.05838	1.4
69.03424	7.3
69.07066	4.5
70.06570	1.2
71.01613	1.9
71.04990	11.1
79.05493	22.8
81.03426	3.2
81.07055	61.7
82.06615	1.0
83.04971	2.7
83.06107	1.7
85.02877	2.2
85.06539	4.3
85.07639	1.1
91.05489	7.4
92.83718	1.0
93.07031	12.0
95.04967	53.1
95.08610	26.6
97.02860	1.2
97.06532	14.0
97.07633	1.8
98.98460	1.5
99.04450	5.1
99.08084	4.3
105.03382	3.7
105.04510	2.1
105.07026	5.2
107.04957	2.5
107.08585	4.3
109.02869	3.8
109.06506	11.1
109.10152	100.0
110.10501	1.6
111.04430	6.8
111.08097	1.6
113.05997	9.5
119.01914	1.5
119.08579	12.1
121.10144	4.3
123.04431	28.3
123.08059	24.2
124.08656	1.6
125.05994	41.6
125.07028	3.0
125.09624	1.7
126.06300	1.3
127.07577	2.7
131.10136	1.0
133.48933	1.0
137.06015	2.5
137.09616	36.3
139.03915	3.0
139.07578	1.5
140.04701	9.4
141.09148	1.0
143.07025	10.5
147.08037	9.6
151.07527	6.4
151.53596	1.1
153.09125	3.8
155.07051	6.7
155.10648	6.9
165.05432	1.7
165.09114	30.2
183.06682	6.5
183.08032	1.6
183.08362	2.1
183.10172	30.8
183.11665	1.1
183.13757	1.4
194.54785	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	183.138
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
52.77991	0.9
53.03934	4.3
55.01861	3.0
55.05516	12.4
56.96563	6.1
57.03425	2.5
57.07062	3.7
59.04993	2.8
59.06120	1.0
65.03954	2.1
67.05504	23.5
69.03421	3.4
69.07069	12.0
70.06580	0.9
70.62752	3.0
71.04981	8.2
71.08624	1.6
79.05502	10.0
81.03417	2.3
81.07058	71.8
83.04978	4.8
83.08604	7.4
85.02889	1.2
85.06538	4.2
87.96454	0.9
91.05476	7.7
93.07047	8.8
95.04970	35.6
95.08606	24.3
97.06530	6.9
97.07607	1.1
97.10113	1.0
98.98462	2.7
99.04442	7.6
105.03371	5.2
105.04514	2.1
105.07024	17.9
107.08602	11.2
109.06519	5.4
109.07623	0.9
109.10156	12.4
111.04433	1.3
111.08083	1.6
113.06039	1.9
114.04220	1.1
119.01908	2.9
119.08598	10.3
119.95892	0.9
121.10144	21.3
122.10487	1.1
123.04432	29.3
123.08068	7.2
123.11710	100.0
125.02365	1.8
125.07078	1.8
125.09645	1.6
129.07031	1.1
133.03473	2.7
135.06558	1.5
137.03058	0.9
137.06042	1.0
137.09592	2.8
137.13268	15.2
139.11270	1.1
140.04669	10.9
142.03467	1.2
147.11697	37.2
148.07298	8.2
149.01202	1.1
151.04497	1.6
153.07036	1.2
155.07027	5.9
155.08525	2.8
157.07822	1.8
159.05063	1.1
160.04553	3.1
161.02896	1.2
163.07852	3.6
165.09064	1.9
165.12764	16.6
168.09386	1.9
183.06487	4.2
183.08076	2.3
183.10216	1.9
183.11685	3.2
183.13774	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	183.138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77991	0.9
53.03934	4.3
55.01861	3.0
55.05516	12.4
56.96563	6.1
57.03425	2.5
57.07062	3.7
59.04993	2.8
59.06120	1.0
65.03954	2.1
67.05504	23.5
69.03421	3.4
69.07069	12.0
70.06580	0.9
70.62752	3.0
71.04981	8.2
71.08624	1.6
79.05502	10.0
81.03417	2.3
81.07058	71.8
83.04978	4.8
83.08604	7.4
85.02889	1.2
85.06538	4.2
87.96454	0.9
91.05476	7.7
93.07047	8.8
95.04970	35.6
95.08606	24.3
97.06530	6.9
97.07607	1.1
97.10113	1.0
98.98462	2.7
99.04442	7.6
105.03371	5.2
105.04514	2.1
105.07024	17.9
107.08602	11.2
109.06519	5.4
109.07623	0.9
109.10156	12.4
111.04433	1.3
111.08083	1.6
113.06039	1.9
114.04220	1.1
119.01908	2.9
119.08598	10.3
119.95892	0.9
121.10144	21.3
122.10487	1.1
123.04432	29.3
123.08068	7.2
123.11710	100.0
125.02365	1.8
125.07078	1.8
125.09645	1.6
129.07031	1.1
133.03473	2.7
135.06558	1.5
137.03058	0.9
137.06042	1.0
137.09592	2.8
137.13268	15.2
139.11270	1.1
140.04669	10.9
142.03467	1.2
147.11697	37.2
148.07298	8.2
149.01202	1.1
151.04497	1.6
153.07036	1.2
155.07027	5.9
155.08525	2.8
157.07822	1.8
159.05063	1.1
160.04553	3.1
161.02896	1.2
163.07852	3.6
165.09064	1.9
165.12764	16.6
168.09386	1.9
183.06487	4.2
183.08076	2.3
183.10216	1.9
183.11685	3.2
183.13774	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	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.3
70.34747	0.5
70.35140	0.7
70.53591	0.3
77.69347	0.3
82.99846	1.2
94.36655	0.3
99.00530	0.3
100.02512	0.4
101.00880	17.5
102.00988	0.8
103.53592	0.3
108.04427	0.3
108.71987	0.3
118.03605	0.4
119.01920	100.0
120.02007	4.0
124.02454	0.9
137.02957	39.1
138.03040	1.6
138.86465	0.3
142.03502	17.7
143.03700	1.8
144.03223	0.3
144.55901	0.3
158.06691	0.3
160.04564	6.6
161.02954	5.1
161.04663	1.4
178.01035	0.4
178.05652	0.3
179.04002	9.3
179.05426	0.7
184.04523	0.4
195.25166	0.3
202.05565	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01873	6.8
55.05500	2.0
56.05017	2.4
56.96564	57.8
57.03436	12.4
58.03771	1.6
59.04982	3.3
60.04510	4.1
61.02935	8.9
65.92630	1.0
67.05476	2.6
68.05025	1.5
69.00924	1.1
69.03428	21.5
69.04533	2.8
69.07050	3.4
70.02942	1.6
70.03753	1.6
70.06594	6.2
70.80252	1.9
70.98109	2.9
71.01352	2.1
71.04991	8.7
71.06098	2.3
71.95246	3.9
72.04501	1.3
72.08139	3.1
73.02914	15.1
74.00275	1.0
74.97587	2.3
77.00848	1.0
79.05499	1.4
80.05008	1.5
80.94960	1.9
81.03410	9.7
81.04542	2.4
82.06568	2.6
83.00807	2.2
83.01315	1.1
83.02438	1.1
83.04960	2.7
83.06091	1.1
84.04499	2.2
84.05638	1.2
84.08138	3.8
84.96021	2.7
85.02908	30.3
85.04018	1.9
86.03568	15.0
86.06063	1.1
86.09692	4.3
86.47460	1.0
87.04443	4.8
87.05579	1.8
88.99139	1.9
89.00779	1.2
90.01563	2.2
91.03938	2.3
91.05482	5.4
92.01290	3.8
93.03398	0.9
93.07048	1.7
94.04038	4.1
94.06562	2.2
95.00735	1.9
95.02475	1.4
95.04974	6.0
95.06104	1.3
96.01541	1.4
96.05636	6.1
96.08137	1.3
97.02897	32.0
97.06501	2.2
97.96783	1.3
98.01274	3.3
98.03537	3.5
98.97580	52.2
99.02030	1.9
99.04436	5.1
99.06668	1.6
99.97900	1.4
100.02415	1.1
100.05135	1.9
100.07610	10.7
100.99173	1.6
101.00870	12.4
101.02385	1.2
101.06017	1.8
102.01559	1.5
103.02319	2.2
103.03925	1.3
104.01302	5.5
104.01891	1.0
105.02062	2.1
107.01815	1.6
107.04923	0.9
108.04459	1.5
108.05602	1.5
108.08092	3.0
109.02871	5.6
109.05115	13.4
109.06600	1.0
110.01274	8.4
110.03511	3.8
110.06004	2.8
110.07169	1.8
110.09650	2.9
110.51462	1.2
110.97546	3.7
111.02070	5.6
111.06712	2.2
111.08032	1.4
112.02826	3.8
112.03982	1.5
112.05058	3.2
112.07587	1.1
112.99137	6.8
113.01804	3.1
113.03539	1.8
113.04596	3.8
113.06004	1.4
114.03048	8.7
114.03810	1.7
114.06678	1.7
115.02379	3.3
115.03909	1.8
116.00194	1.8
116.01266	1.3
116.04543	3.4
116.98620	34.6
117.02032	4.1
118.01100	1.6
118.02799	2.7
118.03539	2.2
119.01905	100.0
119.03597	3.0
119.04921	1.6
119.51899	1.2
120.01976	2.8
120.03274	1.0
120.08097	4.3
121.01646	1.9
121.02451	1.9
121.03381	2.3
121.05100	26.3
121.06507	2.4
121.97573	2.1
122.02177	1.0
122.03494	4.2
122.06048	1.3
122.07121	1.8
123.01988	2.0
123.04414	2.5
123.06782	6.5
124.02751	1.8
124.04111	1.2
124.05048	5.4
124.07617	4.5
124.11284	2.3
124.99986	1.7
125.01808	2.8
125.03593	2.2
125.04681	5.4
125.05988	2.0
125.07037	2.7
126.02638	4.4
126.03475	1.3
126.05350	2.3
126.06808	1.9
126.07753	9.0
127.00681	1.2
127.03995	6.3
127.06143	13.8
128.02313	7.2
128.04507	1.7
128.98576	7.4
129.03030	1.2
131.00177	10.8
131.01826	6.2
132.00677	1.0
133.01645	5.7
133.03416	6.5
134.01154	0.9
134.99660	18.6
135.03117	3.3
136.06131	5.3
136.07588	19.7
137.02936	45.1
137.04575	30.1
137.05809	1.7
137.08281	3.5
138.03044	1.9
138.05539	4.5
138.07655	13.0
138.09003	6.2
139.03358	1.1
139.06119	8.0
139.08646	1.1
139.09666	1.1
140.02296	15.5
140.03270	1.8
140.04536	1.5
140.05592	1.9
140.10693	2.6
140.52463	1.9
141.03099	1.5
141.04074	1.8
141.06474	3.2
142.03500	16.8
142.06033	5.1
142.08675	1.2
142.94916	1.3
142.96507	3.7
143.00153	3.6
143.01904	3.8
144.04822	2.7
145.01686	8.3
145.03433	2.4
145.04987	2.2
146.02255	4.3
146.99634	11.6
147.01329	1.4
147.03136	2.4
148.03827	7.3
148.06183	9.2
148.07448	2.2
149.01221	11.6
149.02832	19.7
149.04561	10.5
149.53004	2.5
150.02908	2.5
150.05548	4.5
151.02740	2.0
151.04810	3.3
151.06049	1.0
152.07028	2.4
153.00688	3.0
153.01846	1.0
153.07806	2.6
153.08954	1.1
154.03865	5.8
154.07239	39.1
154.08551	2.8
154.53941	1.0
155.02831	29.9
155.53000	3.8
156.05135	3.3
156.08844	1.7
157.01669	1.7
157.03453	2.4
157.04518	1.3
158.99667	6.0
160.02673	1.5
160.04555	8.8
160.96173	1.5
160.97583	8.4
161.01202	8.9
161.02936	18.7
161.04420	2.3
162.03397	1.4
162.99077	1.5
163.02766	13.5
163.04260	1.7
164.03293	5.8
164.53484	1.1
165.00719	4.8
165.96484	1.2
166.04987	3.2
166.07233	21.7
166.08629	30.1
166.09816	1.2
166.12228	4.3
166.53641	1.9
167.02182	2.8
167.05655	14.3
167.09285	1.2
167.10619	2.0
170.99646	1.7
173.01147	2.3
175.02733	3.8
175.04404	4.9
177.00705	6.3
177.04149	3.1
178.04918	1.2
178.98659	3.1
179.02272	6.2
179.04019	12.9
179.05482	1.4
181.03804	3.2
183.54297	1.0
183.97604	1.8
184.04802	21.2
184.08260	12.1
184.09691	26.1
184.13301	19.6
184.55165	1.4
185.02820	2.0
187.00301	6.6
187.02759	3.9
188.00475	1.4
189.00673	3.7
191.02318	2.3
193.03938	1.6
193.05444	8.5
199.04625	1.0
201.00688	1.6
202.05560	1.5
203.02171	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	184.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
55.01864	2.7
55.05505	6.1
56.05026	6.1
56.96571	29.9
57.03437	3.2
58.06609	4.6
59.06117	3.3
66.40002	1.9
67.05498	6.2
68.05028	6.8
69.03423	7.7
69.04534	3.4
69.07042	4.1
69.77988	9.8
70.06586	11.0
71.06100	2.2
72.04515	2.4
72.08148	5.1
73.02919	4.0
79.05492	5.7
80.05014	4.5
81.03419	4.2
81.04523	4.8
81.07073	5.2
82.06573	8.0
83.06091	7.3
84.04496	5.3
84.08127	2.6
85.02905	7.2
85.07687	2.8
86.06060	5.5
86.09704	6.3
88.07613	2.8
88.99149	2.5
91.05488	4.0
93.07037	3.9
94.06549	3.9
95.04976	6.9
95.06090	4.6
95.08620	3.9
96.04511	3.7
96.08144	4.7
97.02879	8.2
97.06544	2.9
97.07663	8.6
98.06065	3.4
98.07207	4.1
98.21542	2.5
98.69834	2.1
98.97575	8.5
100.03970	2.7
100.07612	3.6
101.00896	9.8
104.10700	2.5
106.03803	2.2
107.04940	5.9
109.07651	9.0
110.06035	4.4
111.05573	2.9
111.08123	2.5
111.09207	3.1
112.02839	3.0
112.07597	2.7
113.07128	3.4
114.05508	2.8
116.98614	10.4
119.01924	100.0
119.04989	5.2
120.02000	4.9
120.97948	2.6
121.03387	3.3
121.06479	4.3
121.07617	4.9
123.04499	3.0
123.05548	3.0
124.04817	4.4
124.07604	8.3
124.08717	2.9
124.99988	2.2
125.07104	6.9
125.09535	2.4
127.08631	3.2
128.98532	2.5
133.03467	3.4
134.99634	11.5
136.08664	4.2
137.02956	57.0
137.03990	2.9
137.07037	2.4
137.97066	2.5
138.03105	2.5
138.05467	3.4
138.06465	3.1
138.09126	6.2
138.98912	2.2
140.10696	9.0
141.06511	2.4
142.03520	20.1
142.09738	2.4
143.01994	2.2
143.08194	2.2
146.99672	4.5
147.04431	3.3
148.04773	3.9
149.06041	3.0
149.07150	4.2
151.03882	4.3
158.99730	2.8
160.04572	9.5
161.01190	5.2
161.02917	9.9
161.04172	6.6
163.02800	6.8
166.08559	3.1
166.09782	5.2
167.08192	4.8
177.00719	2.1
179.02373	2.3
179.03995	10.5
184.04543	5.0
184.07401	8.6
184.10904	15.3
184.13354	6.8
184.60352	2.9
202.05548	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
56.96556	0.6
57.07076	50.5
60.86861	0.6
67.05509	0.9
69.07043	0.9
69.52070	2.6
69.52493	1.5
79.05482	1.1
84.24937	0.5
88.02216	0.6
91.05471	4.3
92.35728	0.5
105.07026	11.9
115.05414	0.9
117.07021	7.1
119.08588	1.0
128.06189	1.2
129.07022	2.7
130.07777	6.7
130.08682	0.7
131.08566	33.1
132.08907	0.8
143.08560	6.0
144.09331	1.9
145.10120	100.0
146.10464	2.9
157.10089	1.7
158.10933	2.1
159.11705	3.4
166.08437	0.5
172.12474	1.1
187.11186	1.1
187.14818	25.6
187.16493	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.91527	0.3
56.96553	1.2
64.03913	0.3
67.05461	0.3
70.95844	0.9
72.98138	0.3
86.09712	3.2
91.05471	4.5
97.02888	0.4
98.97572	0.7
103.05447	0.6
115.05447	5.3
116.98624	0.6
117.05796	1.7
117.07025	4.6
118.06537	68.4
119.06896	1.2
119.14017	0.4
128.07133	0.3
130.06538	0.4
132.08104	1.3
132.10179	1.3
142.06522	6.0
142.08623	0.4
143.07306	12.4
144.04469	1.0
144.08083	24.0
145.06451	1.1
145.08382	0.6
146.06004	100.0
147.06326	2.6
155.06041	0.6
158.99657	0.4
160.07646	2.0
170.06001	8.6
171.06299	0.5
188.07056	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
56.96553	1.0
70.99848	0.4
71.00195	0.7
76.72652	0.4
81.03388	0.4
91.05486	4.6
98.97598	0.5
103.05437	0.5
103.61394	0.3
115.05439	5.7
117.05766	1.2
117.07015	4.4
118.06542	74.5
119.06903	1.3
132.08073	0.7
142.06528	6.7
143.07309	13.3
144.08086	25.2
145.06487	1.2
145.08403	0.6
146.06009	100.0
147.06340	1.8
155.06041	0.8
160.07568	0.9
170.06015	9.1
176.05165	0.4
188.07069	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05514	4.0
57.07067	1.2
67.05506	2.9
67.08730	0.6
69.03432	8.9
69.07069	2.8
69.55692	3.3
69.56112	1.4
69.65473	0.6
73.04855	0.6
77.03909	0.6
79.05486	3.5
81.07060	4.2
83.04952	2.2
91.05481	9.6
93.07043	4.3
93.07543	0.8
95.04984	3.1
98.20813	0.9
103.05448	1.2
105.07033	21.2
107.08596	4.8
109.06505	1.5
115.05444	1.3
116.06206	0.9
117.07039	4.2
119.04942	2.0
119.08581	40.0
120.08902	0.7
121.06494	2.5
121.10130	2.1
128.06209	3.1
129.06999	2.6
130.07800	2.3
131.08563	10.3
132.05678	0.7
133.06482	4.1
133.09146	1.1
133.10124	16.3
135.08028	5.7
137.51964	0.6
141.06976	5.8
142.07684	1.3
143.08569	5.8
144.09337	1.6
145.06493	3.9
145.10132	7.6
146.07230	2.1
146.10860	1.8
147.08046	18.6
147.11690	17.4
155.08563	1.4
156.09338	30.6
156.17641	0.6
157.09676	0.7
159.08058	18.2
159.11716	5.1
160.08842	6.7
161.05971	1.4
161.09647	8.6
161.13251	20.7
171.11694	32.6
173.09634	0.9
174.10400	34.5
175.10677	1.0
189.09123	2.0
189.12738	100.0
190.13156	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01862	1.4
55.05513	6.5
57.03406	1.0
67.05511	4.5
69.03060	1.0
69.03432	19.6
69.07062	5.7
73.94591	0.9
79.05496	8.4
81.07058	5.3
83.04975	3.8
83.29093	0.8
91.05478	15.5
93.07051	8.0
95.04972	4.1
95.08590	1.5
97.06525	1.0
98.21542	2.2
103.05477	0.9
105.07038	43.9
105.18028	1.0
106.07376	1.1
107.04951	1.3
107.08612	5.5
109.06512	3.3
115.05466	1.8
117.07014	7.4
119.04949	7.6
119.08586	65.6
120.08966	1.1
121.06536	4.0
121.10133	3.6
128.06215	6.0
129.06995	5.6
130.07751	0.9
131.08568	9.4
132.05804	0.9
132.09358	0.9
133.06500	7.7
133.09148	1.4
133.10132	20.8
134.10466	1.1
135.08060	10.5
141.06984	4.6
142.07779	2.1
143.07532	1.7
143.08566	20.4
145.06480	4.5
145.10115	9.9
146.07280	1.3
146.10762	0.8
147.08047	30.9
147.11685	31.5
147.45724	0.9
155.08551	1.7
156.09352	26.1
159.08057	10.0
159.11722	4.5
160.08868	5.7
161.09659	10.4
161.13269	30.4
171.11691	35.2
173.09593	1.2
173.50742	0.9
174.10423	13.7
189.12749	100.0
190.13063	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
62.85741	0.7
67.05505	2.1
69.03440	6.4
69.21054	9.0
70.31029	0.8
79.05487	2.6
81.07091	1.0
91.05481	6.2
93.07031	2.1
95.04961	1.2
98.21619	1.8
105.07033	15.8
107.08602	2.4
109.06541	0.8
115.05428	1.4
117.07007	3.7
119.08587	24.1
121.10160	1.6
128.06194	2.9
129.07034	3.9
130.07874	3.9
131.08560	7.2
133.06497	3.5
133.10147	7.0
135.08041	1.6
139.91002	1.0
141.06993	8.6
142.07831	1.3
143.08569	7.4
144.09276	1.8
145.06480	2.1
145.10127	14.7
146.07178	1.5
146.10878	1.4
147.08037	10.9
147.11685	19.7
155.08586	2.9
156.09351	43.1
157.09663	1.4
159.08060	7.3
159.11690	10.5
160.08835	1.9
161.06036	1.2
161.09634	5.1
161.13260	6.5
169.50887	0.9
171.11688	57.2
172.12001	1.9
173.09558	1.0
174.10399	13.3
189.09172	2.5
189.12747	100.0
190.06245	1.1
190.13033	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01867	1.1
55.05515	4.8
57.03422	0.8
57.07060	0.6
59.04984	1.1
64.27497	0.4
66.72858	0.5
67.05515	3.1
69.03432	13.2
69.07068	4.0
69.49756	4.1
69.50145	1.0
71.05278	0.5
74.62413	0.6
75.89919	0.6
77.18058	0.5
79.05492	6.0
81.07053	4.2
83.04993	3.5
85.19286	0.5
91.05485	13.3
93.07036	5.8
95.04978	2.5
95.08598	1.2
97.06528	1.0
103.05473	1.4
105.07032	39.3
106.07334	1.0
107.04936	1.2
107.08579	4.9
109.06527	2.9
111.08058	0.5
115.05469	2.0
117.07012	5.1
119.04948	10.6
119.08582	55.5
120.08916	0.9
121.06538	2.8
121.10137	2.2
123.08123	0.6
127.97275	0.5
128.06215	5.2
129.07002	4.4
130.07779	0.8
131.08565	6.7
132.05688	1.2
133.06499	9.2
133.10127	16.9
135.08055	10.5
141.06975	4.1
142.07770	3.3
143.08568	14.0
145.06488	3.5
145.10138	9.1
146.07231	1.3
146.10915	1.1
147.06819	0.8
147.08044	26.0
147.11685	30.4
148.08421	0.6
148.12035	0.8
149.09625	0.9
155.08578	1.7
156.09346	28.6
157.07611	0.7
157.09735	0.8
159.08046	9.8
159.11667	3.9
160.08841	6.0
161.06033	1.0
161.09619	9.2
161.13258	24.5
162.13574	0.8
171.11690	37.4
172.12007	1.0
174.10403	15.5
187.11195	0.5
189.05431	1.2
189.09126	2.2
189.12743	100.0
190.13091	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50670	0.9
52.29819	0.8
53.03920	1.5
55.01868	1.6
55.05504	4.6
57.03418	1.0
57.07062	1.6
57.56460	0.8
59.05000	1.5
65.03931	1.6
67.05489	3.9
69.03423	10.7
69.07052	4.4
69.45030	5.2
69.45441	2.2
79.05502	6.4
81.03392	1.0
81.07060	5.2
83.04975	3.6
83.45650	1.0
91.05481	15.1
93.07055	5.5
95.04953	3.9
95.08617	2.6
97.06523	1.0
98.20872	1.5
103.05474	1.4
105.07030	45.8
107.04942	2.4
107.08610	4.7
109.06513	3.9
115.05483	4.5
115.06203	0.9
117.07019	5.1
119.04947	9.1
119.08579	44.1
121.06496	4.2
121.10104	2.3
128.06190	5.4
129.03369	2.2
129.07018	6.5
130.07765	1.2
131.04910	1.7
131.08588	8.3
132.05687	1.8
133.06509	9.6
133.10124	20.9
135.08067	7.9
135.30559	1.1
141.06998	5.0
142.07805	2.4
143.08560	14.3
144.09390	1.5
145.06490	6.0
145.10121	9.0
146.07297	2.2
146.10896	1.1
147.04395	1.3
147.08046	38.1
147.11693	19.7
148.12062	1.4
149.09619	1.3
155.08549	1.2
156.09334	30.5
157.22781	0.9
159.08066	18.8
159.11720	5.4
160.05206	4.4
160.08832	9.4
161.05988	8.7
161.09619	14.6
161.13258	17.3
171.11687	30.0
173.09624	1.5
174.06815	1.9
174.10393	34.6
187.11128	2.0
189.05449	7.1
189.09174	8.5
189.12740	100.0
189.16335	3.0
190.13071	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	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05513	10.0
56.96568	5.9
57.07069	2.3
60.28031	1.0
65.03942	1.6
67.05509	10.1
69.03422	3.6
69.07067	17.2
69.95917	5.1
71.98583	1.1
73.13859	1.0
74.52258	1.0
77.03909	1.0
79.05485	6.3
81.07059	17.2
83.04974	1.3
83.08625	6.2
91.05478	22.7
93.07037	10.3
95.04961	2.0
95.08611	48.2
98.20740	1.1
103.05470	2.0
105.03330	0.9
105.07032	50.4
106.96564	0.9
107.04961	1.7
107.08590	17.2
109.06516	1.3
109.10141	7.5
114.81247	1.3
115.05460	3.5
117.07037	4.1
118.04131	5.1
119.08580	72.0
121.02811	1.5
121.06508	2.1
121.10147	8.3
124.97636	2.0
128.06241	2.5
129.03362	16.8
129.06981	3.5
131.08582	13.5
131.12009	0.9
133.06482	3.4
133.10129	60.0
141.06969	2.0
142.07780	1.9
142.10913	1.0
142.98650	3.2
143.08586	4.6
145.06464	2.2
145.10138	13.5
146.03607	1.8
146.10880	5.0
147.08051	15.0
147.11685	46.4
149.02350	2.3
149.07217	1.1
156.09358	10.4
159.08029	3.5
159.11678	4.3
160.05157	3.6
160.08868	2.0
160.12437	4.6
161.05978	9.5
161.09644	3.7
161.13240	12.1
171.11673	11.8
174.10405	5.2
174.14093	2.9
175.03912	1.1
177.08499	1.9
189.05472	50.6
189.09087	12.6
189.12733	38.4
189.16385	100.0
190.05748	1.9
190.13016	1.2
190.16780	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	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.22710	0.5
53.03945	0.6
54.24932	0.4
55.01867	0.7
55.05507	5.3
56.96567	0.8
65.03926	0.9
67.05510	7.3
69.03432	2.0
69.07066	5.4
71.49702	0.9
77.03913	0.8
79.05489	6.4
81.07054	22.4
83.08622	2.1
83.68196	0.5
91.05476	15.6
93.07049	9.7
95.04953	1.5
95.08607	38.7
97.10207	0.9
98.97585	0.6
103.05476	1.1
105.03391	1.4
105.07030	44.2
107.04971	0.8
107.08591	14.6
109.10150	10.5
115.05409	3.2
117.07025	2.8
118.04135	1.3
119.08581	100.0
120.08905	1.1
121.10161	5.5
125.04623	0.5
128.06215	3.0
129.03360	5.2
129.06981	1.9
131.08560	7.1
133.02899	0.7
133.06487	1.9
133.10126	47.2
134.10762	0.7
141.06966	1.2
142.98586	0.5
143.08533	3.6
145.06512	0.6
145.10103	4.2
146.03723	0.8
146.10886	1.7
147.04393	1.9
147.08040	3.4
147.11684	27.6
149.02313	2.5
156.09337	4.4
159.08049	1.1
159.11705	1.9
160.05215	4.2
160.12404	0.9
161.05988	8.6
161.09630	1.8
161.13261	31.1
162.13522	0.7
171.08020	1.5
171.11708	5.4
174.06744	1.0
174.10384	3.6
189.01851	0.9
189.05460	15.6
189.07185	1.0
189.07544	0.8
189.09081	8.5
189.10767	1.0
189.12744	15.9
189.16376	55.1
190.05936	0.9
190.09464	1.1
190.16707	1.3
207.02927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0499
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.96561	0.4
57.07081	0.3
58.06597	1.7
60.04517	0.2
67.05509	0.3
67.44466	0.2
68.95535	0.2
69.03436	0.2
69.07067	1.2
70.06588	0.3
70.93902	0.4
84.08136	0.9
85.06533	0.7
86.09708	1.0
87.10023	0.4
89.03909	1.1
91.05570	0.2
98.97585	0.3
102.09180	0.7
116.04975	2.8
126.12773	1.8
134.06020	0.2
136.81467	0.2
144.04433	0.6
144.10176	0.6
144.13838	6.3
144.14980	0.3
145.05070	0.2
162.05504	100.0
163.05870	2.4
170.82272	0.2
172.09528	0.2
190.04993	32.2
190.14366	0.9
191.05293	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	191.0703
Annotation	Coixinden A
Peak:m/z	Relative Intensity
53.00310	1.1
53.03942	2.1
53.28733	0.4
55.01872	2.1
55.05506	0.7
67.05508	0.8
69.03430	1.7
69.07066	1.0
70.90482	0.4
77.03912	1.1
78.04733	0.5
79.05493	4.7
81.03387	0.7
81.07047	1.1
83.05017	0.5
91.05492	11.6
93.07040	2.5
95.04964	5.6
95.08621	0.7
101.24226	0.5
102.04680	1.9
103.05470	87.2
104.06255	1.8
105.03402	0.8
105.07041	6.5
107.04960	3.1
107.08609	3.8
109.06538	1.3
115.05463	9.9
117.07043	4.8
118.04190	1.4
119.04969	1.2
119.08589	8.4
120.05740	0.9
121.06521	2.9
121.10166	2.0
128.06186	1.2
129.06995	1.0
130.04149	0.6
131.04932	100.0
131.08511	2.5
132.05728	28.2
133.02870	1.4
133.06471	2.4
133.10127	2.0
135.04419	1.6
135.08047	5.5
135.11716	0.7
145.06467	1.6
145.10115	1.1
147.04398	0.8
147.11736	1.3
148.05229	3.6
149.06013	1.2
149.09634	0.9
149.13289	1.4
158.03641	0.6
158.10941	0.9
159.04417	40.0
160.04799	1.0
163.03947	2.5
163.07558	7.5
173.05978	1.0
173.13235	2.5
176.04681	1.3
177.05469	8.4
189.05440	1.1
191.03482	1.5
191.07036	57.5
191.10687	2.0
191.14317	6.2
192.07471	1.2
205.38107	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	191.0702
Annotation	Coixinden A
Peak:m/z	Relative Intensity
50.01588	0.6
51.02374	0.9
53.00301	1.1
53.03939	2.3
55.01870	2.0
65.03947	0.9
67.05524	0.6
69.03425	2.3
69.07046	1.1
69.88190	2.8
69.88573	1.1
74.43265	0.6
77.03925	0.8
79.05489	4.9
81.03419	0.8
81.07056	1.0
83.05006	0.7
91.05480	12.3
93.07052	1.5
95.04967	5.1
95.08604	1.0
102.04690	1.6
103.05466	87.0
104.05659	0.7
104.06302	2.6
105.03396	1.0
105.04453	0.9
105.07027	6.0
107.04935	1.8
107.08572	2.9
109.10196	0.6
115.03635	0.6
115.05464	9.8
117.07024	4.0
118.04170	1.1
119.04947	1.2
119.08571	7.6
120.05751	1.6
121.06502	2.7
121.10164	1.4
128.06282	0.9
129.07019	1.1
131.04927	100.0
131.08536	2.6
132.05717	29.3
133.02872	1.4
133.06476	1.9
133.10133	1.6
135.04433	1.4
135.08051	5.8
135.11688	0.6
145.06511	1.5
145.10107	1.3
147.04431	1.5
147.08002	0.9
147.11716	1.0
148.05200	3.0
149.05943	1.0
149.09639	1.1
151.03928	0.9
158.08932	0.5
159.04411	44.3
160.04788	0.9
161.05894	0.7
163.03891	2.3
163.07544	9.1
166.40479	0.6
173.13278	2.5
176.04709	1.5
177.05467	10.1
184.06956	0.5
189.05495	1.8
191.03442	1.6
191.07027	64.6
191.14305	7.0
192.07413	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.78125	0.8
52.59636	0.9
53.03935	2.1
53.62093	0.7
53.89685	0.7
55.01865	1.4
55.05514	5.9
57.03425	0.9
57.07064	2.5
59.04992	1.8
65.03931	1.3
67.05511	5.6
69.03430	11.6
69.07066	9.0
69.65050	4.0
69.65453	1.8
71.04977	3.4
71.98172	0.9
79.05502	10.3
81.03404	0.9
81.07059	8.2
83.04986	8.1
83.08599	4.6
85.06505	2.6
91.05485	19.5
93.07043	15.2
95.04981	4.6
95.08610	8.8
97.06533	7.5
103.05473	10.8
105.07034	36.0
107.04963	3.8
107.08589	34.0
109.06525	6.6
109.10159	5.0
111.08092	1.8
115.05444	3.1
116.06255	1.3
117.07018	8.0
117.29559	0.8
119.08581	19.4
121.06516	7.5
121.10143	21.9
122.07209	1.0
123.08087	5.8
123.11676	1.8
128.06276	1.7
129.06966	4.3
130.07788	2.0
131.04939	10.0
131.08568	40.4
132.05740	1.7
133.10129	72.4
134.10515	1.1
135.08061	17.2
135.11670	5.4
136.08804	1.0
137.09587	1.2
143.08554	8.0
144.09361	2.8
145.06487	2.1
145.10120	19.5
145.11192	1.6
147.08041	1.9
147.11690	13.0
148.05060	0.9
148.08751	1.4
149.09613	9.8
149.13260	16.4
156.09378	0.9
158.10909	12.3
159.04414	2.7
159.08037	1.4
161.09607	4.0
161.13341	1.3
163.07547	2.0
163.11168	1.9
163.14839	4.2
165.15417	0.8
173.07120	3.0
173.13263	55.2
174.13466	1.2
176.04689	2.8
176.11969	3.2
177.05458	1.1
191.03366	1.0
191.05289	0.8
191.07019	21.9
191.10768	4.6
191.14310	100.0
192.14642	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	1.9
53.63300	0.7
55.05510	4.7
57.07069	2.3
59.04998	1.5
65.03943	1.4
65.27917	0.8
67.05514	4.9
69.03439	3.7
69.07069	10.9
69.58327	5.2
71.04988	1.9
77.79345	0.7
79.05497	17.1
81.07064	8.3
83.04977	3.1
83.08633	4.7
85.06548	2.6
91.05483	19.9
93.07043	17.6
95.04970	3.3
95.08607	10.1
97.06536	4.7
103.05494	3.9
105.07034	29.7
107.04937	1.4
107.08594	96.5
108.08895	0.8
109.06517	5.1
109.10163	4.6
111.08064	1.5
115.05429	0.9
116.06219	0.8
117.07025	4.5
119.06123	1.4
119.08590	28.5
121.06485	2.6
121.10149	37.0
123.08070	4.1
123.25052	0.7
129.06987	3.4
130.07729	1.1
131.04950	1.9
131.08569	30.5
133.10129	53.0
135.08061	9.5
135.11693	15.6
136.90871	0.7
143.08545	6.8
144.09334	3.2
145.06447	0.8
145.10133	17.5
147.08092	0.8
147.11696	11.4
148.08821	1.1
149.05847	0.8
149.09668	3.5
149.13263	17.0
150.10312	1.2
150.96922	1.0
158.10922	14.4
159.04416	0.8
161.09576	1.6
163.11205	1.7
163.14824	18.0
173.13266	59.0
174.13585	1.1
191.03296	1.0
191.07056	2.3
191.14307	100.0
192.14586	1.9
205.62651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30493	1.3
53.03933	3.0
55.01871	1.8
55.05511	8.3
57.03426	2.2
57.07062	3.1
59.05000	1.4
67.05517	8.3
69.03096	2.0
69.03429	23.8
69.07071	12.3
69.20632	6.0
69.21061	6.4
71.04991	1.5
79.05493	16.4
81.07052	16.3
83.04979	11.6
83.08605	4.1
85.06538	1.5
90.71538	1.3
91.05482	16.6
93.07050	13.0
95.04955	3.2
95.08625	8.4
95.40256	1.2
97.06519	4.3
103.05463	4.2
105.07030	24.1
107.04971	7.1
107.08590	44.7
109.06517	6.4
109.10162	9.6
111.08070	1.3
115.05492	2.0
115.79202	1.3
117.07029	5.5
119.08585	12.4
121.06517	8.8
121.10146	27.2
122.07314	1.5
123.08059	5.2
130.07846	1.4
131.05005	2.8
131.07649	1.4
131.08571	22.2
133.06473	1.6
133.10127	100.0
135.04424	1.6
135.08058	16.1
135.11674	5.5
137.09612	12.5
138.87108	1.2
143.08548	7.9
145.10104	11.9
147.11649	10.4
149.09602	7.3
149.13248	14.0
153.66635	1.2
158.10904	12.0
161.09644	4.4
163.07545	1.6
163.14806	4.2
173.13266	31.2
176.12027	2.0
183.00352	1.4
191.03336	2.2
191.06987	3.5
191.14305	96.4
192.14577	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.14240	0.6
53.03943	1.2
55.01876	0.9
55.05513	4.8
57.03436	1.3
57.07065	1.7
67.05499	6.7
69.03431	15.5
69.07067	7.9
70.63415	2.2
71.04979	1.0
79.05037	0.8
79.05492	12.5
81.03430	1.5
81.07056	12.3
83.04987	3.8
83.08623	1.9
91.05483	10.7
93.07039	9.6
93.37968	0.6
95.04953	2.7
95.08598	5.1
97.06529	1.2
103.05457	1.5
105.07037	16.4
107.04960	8.4
107.08595	28.8
107.09332	1.5
109.06499	3.7
109.10164	10.3
115.05437	1.3
117.07027	2.6
118.07788	0.9
119.08585	8.4
121.06513	3.6
121.10147	17.3
122.07294	2.7
123.08080	3.4
129.07054	1.2
131.08569	10.9
133.10129	100.0
134.10599	0.8
135.08049	6.0
135.11705	4.0
137.09622	13.2
143.08566	4.2
144.09334	1.6
145.10124	6.8
147.08011	0.9
147.11668	6.0
147.44704	0.7
148.08841	0.8
149.09625	4.0
149.13269	14.7
158.10913	6.9
163.07457	0.9
163.14806	3.9
173.13255	21.4
173.14725	1.3
183.33566	0.6
190.70816	0.7
191.03403	0.8
191.14313	37.0
192.14532	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05522	5.6
57.03433	1.1
67.05492	4.1
69.03426	22.3
69.07067	9.0
69.19650	0.9
69.45168	7.1
71.04981	1.7
78.08991	1.1
79.05486	9.7
81.07059	10.6
83.04982	9.9
83.08613	2.9
85.06528	2.4
91.05472	9.7
92.96973	0.9
93.07038	9.8
95.04960	3.1
95.08610	11.8
97.06506	3.2
98.21513	2.1
103.05444	1.5
105.07027	15.3
107.04944	4.4
107.08594	33.5
109.06522	6.6
109.10152	8.1
111.08064	1.1
115.05427	1.1
116.06210	1.1
117.07044	2.0
119.08575	9.4
121.06496	5.1
121.10149	19.3
123.08054	4.1
123.68104	1.1
129.07094	1.2
131.04898	0.9
131.08560	14.1
133.10126	65.6
135.04453	1.0
135.08055	16.5
135.11679	7.0
137.09656	6.2
143.08603	5.2
144.09328	2.2
145.10130	8.7
147.11691	8.2
149.09616	9.0
149.13254	14.6
150.10443	1.0
158.10895	11.8
161.09647	3.5
163.11159	2.7
163.14871	5.1
173.13251	36.1
176.11937	2.9
191.14308	100.0
192.14732	1.8
194.38457	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69339	0.9
53.03943	1.4
55.05508	4.0
57.03430	0.7
57.07079	0.9
65.03925	0.8
67.05509	3.8
69.03431	13.6
69.07068	5.2
70.78703	1.7
77.03944	0.7
79.05495	12.2
81.07055	8.1
83.04977	2.4
83.08624	1.4
91.05476	7.1
93.07043	6.9
95.04958	1.8
95.08614	4.9
105.07029	13.9
107.04963	5.9
107.07902	1.5
107.08595	24.2
109.06520	2.9
109.10145	9.6
115.05479	1.1
117.06987	1.8
117.72172	0.6
119.08563	4.6
121.06509	2.7
121.10143	17.4
122.07299	2.2
123.08070	2.3
129.06995	1.1
131.08572	6.9
133.10127	100.0
134.10446	1.0
135.08089	3.9
135.11697	2.0
137.09621	12.6
143.08534	3.2
144.09334	1.3
145.10152	3.6
147.11687	2.7
149.09624	2.6
149.13263	12.5
158.10890	5.6
161.09605	0.9
163.14815	3.2
173.13251	19.2
191.14313	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01871	0.9
55.05513	5.2
57.03412	0.8
57.07070	1.2
65.03941	1.3
67.05512	10.1
69.03436	11.5
69.07072	11.8
71.33684	0.9
71.34010	0.8
75.53094	0.7
79.05492	8.9
81.07058	14.0
83.04988	9.6
83.08614	2.7
83.36816	0.7
85.06516	1.1
86.16280	0.7
89.73404	0.8
91.05483	8.3
91.19591	0.7
93.07044	12.8
95.04972	13.9
95.08616	19.1
97.06529	7.1
103.05478	1.2
105.07033	11.4
107.04958	3.7
107.08594	36.6
109.06516	7.3
109.10154	2.0
111.08073	2.4
117.07008	2.6
118.79556	0.7
119.08583	10.5
121.06503	16.6
121.10152	31.0
123.08080	5.8
129.06993	1.1
130.07755	1.1
131.08583	14.0
133.06458	1.7
133.10144	13.2
135.08054	20.6
135.11702	8.4
137.09619	1.4
140.63660	0.7
143.08597	3.4
144.09326	0.9
145.10136	6.9
147.08063	4.3
147.11693	15.9
148.08846	6.8
149.09633	13.0
149.13271	11.4
158.10934	5.4
158.12048	1.1
161.09642	1.4
162.10452	1.2
163.11206	1.4
163.14848	8.7
173.13275	23.9
176.11929	1.3
191.14316	100.0
192.14676	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03945	1.3
55.05497	4.6
57.03437	1.9
57.07061	1.4
65.86608	1.1
67.05500	6.5
69.03435	22.8
69.07072	5.0
69.56326	1.1
70.06423	4.6
79.05489	12.4
80.94898	1.1
81.07053	12.2
83.04990	5.9
83.08620	2.0
85.06546	1.5
91.05481	9.4
93.07039	10.1
94.49840	1.1
95.04981	3.1
95.08595	5.8
97.06561	1.2
105.07037	18.1
107.04961	6.0
107.07895	2.2
107.08592	30.4
109.06534	1.9
109.10157	9.9
115.05451	1.6
117.07010	1.8
118.07829	1.7
119.08579	8.2
121.06503	5.4
121.10145	20.2
122.07301	3.4
123.08065	3.9
131.08563	11.6
133.10135	100.0
134.10429	1.4
135.08084	7.5
135.11691	4.2
137.09618	15.3
143.08563	4.9
144.09393	2.1
145.10150	6.1
147.11725	5.8
149.09633	3.9
149.13255	12.8
158.10933	9.9
163.14818	5.6
173.13255	25.2
191.14316	37.4
192.14778	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46002	0.9
53.03946	1.9
55.05516	6.4
57.03434	2.5
57.07082	1.2
58.68394	0.9
65.76893	0.8
67.05505	6.7
69.03061	1.2
69.03430	18.0
69.07071	10.6
69.30596	7.4
69.31001	2.4
79.05488	15.6
81.07061	15.8
83.04980	7.9
83.08614	2.4
85.06540	1.5
91.05480	10.8
93.07050	12.2
95.04974	5.4
95.08601	7.4
97.06509	3.1
101.63422	0.9
103.05477	3.9
105.07027	18.5
107.04948	8.5
107.08597	38.8
109.06547	5.9
109.10139	11.4
111.08094	1.1
112.94537	0.8
117.07014	2.6
119.08594	9.2
121.06513	8.0
121.10146	27.0
122.07281	1.8
123.08080	4.2
129.06979	2.5
131.04951	2.0
131.08568	13.4
133.10129	100.0
135.04460	1.1
135.08061	12.7
135.10857	0.9
135.11716	6.2
137.09616	15.9
143.08577	4.4
144.09378	1.8
145.10149	7.6
147.08069	1.4
147.11673	9.2
148.05254	1.1
149.09589	6.8
149.13268	16.6
156.09068	1.0
158.10898	7.8
163.11157	1.5
163.14839	6.3
173.13263	26.7
191.03398	1.2
191.10718	3.0
191.14311	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01878	4.9
55.05506	2.4
56.96551	1.2
57.03445	0.6
57.07067	0.5
67.05491	1.9
69.03430	2.8
69.06697	1.1
69.07068	17.0
70.23051	2.1
79.05491	6.1
81.03428	0.5
81.07063	5.2
83.04987	3.3
83.08617	0.9
85.06499	0.6
91.05481	7.4
93.07043	15.8
95.04962	2.2
95.08623	4.6
97.06537	2.4
103.05447	1.5
105.07034	5.2
107.04968	3.3
107.08594	15.4
107.58764	0.5
109.06503	1.8
109.10157	2.9
111.08058	0.6
115.05463	1.0
117.07020	2.5
119.08571	3.3
121.06509	16.2
121.07395	0.8
121.09250	0.6
121.10138	11.6
123.08051	2.6
131.04910	1.4
131.08571	6.6
133.09132	0.9
133.10133	12.7
135.04385	0.8
135.08055	10.6
135.11700	4.4
137.09613	2.0
143.08569	1.6
144.09383	0.5
145.10121	5.1
147.08060	1.0
147.11685	23.9
148.05150	0.5
149.01199	0.6
149.09650	4.4
149.12088	0.6
149.13254	9.3
158.10883	2.6
161.09639	7.2
163.03864	0.5
163.07556	1.2
163.11208	1.7
163.14853	1.6
173.09627	1.3
173.13260	12.2
176.04674	0.5
176.11998	2.2
180.07193	0.6
191.03455	0.8
191.07011	1.7
191.10825	2.3
191.14308	100.0
192.14629	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	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.02366	1.0
53.03943	3.5
55.01874	6.4
55.05511	22.6
55.81433	1.2
56.96564	2.6
57.07077	8.5
67.05505	25.9
67.05854	2.6
68.63501	1.0
69.03426	16.6
69.07068	40.6
70.00954	5.7
71.04982	1.8
79.05494	39.6
81.03394	1.9
81.07058	39.1
83.04984	9.2
83.08622	19.0
91.05473	29.6
93.07044	69.1
94.07373	1.6
95.04969	7.1
95.08608	74.8
95.21526	1.1
97.06540	2.0
97.10163	10.4
103.05482	7.5
105.04522	1.3
105.07031	20.7
107.04959	14.5
107.08592	96.0
108.08901	1.4
109.06498	7.6
109.10159	54.5
111.08057	3.1
111.11692	1.6
115.05467	2.2
117.07016	8.7
118.04212	1.4
119.06040	1.3
119.08572	14.0
120.05643	1.1
121.06483	9.7
121.10144	89.9
122.07320	1.2
122.10445	1.8
123.04420	1.6
123.08066	6.7
123.11696	7.2
129.07024	2.3
130.07785	1.8
131.04910	5.6
131.08578	18.9
133.06566	1.6
133.10127	38.3
134.07294	1.8
135.04324	1.3
135.08067	20.0
135.11691	75.3
136.11993	1.6
137.09622	7.0
137.65323	1.1
143.08537	2.7
144.09317	1.1
145.10149	10.9
147.08066	3.8
147.11667	7.3
148.03976	1.2
148.05177	1.5
148.08836	1.9
149.02374	1.6
149.05978	2.6
149.09616	7.6
149.13254	22.5
158.10892	8.2
159.04440	2.8
161.09691	1.3
163.03888	1.8
163.07536	1.2
163.11192	3.0
163.14844	6.0
173.05939	1.2
173.09621	3.0
173.13261	22.5
174.13535	1.1
191.03436	3.1
191.07065	6.8
191.10678	14.4
191.14310	100.0
191.17938	81.2
192.14594	4.8
192.17656	1.7
194.31587	1.0
200.54332	1.1
203.42986	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	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03937	3.7
54.54786	1.5
55.01852	2.2
55.05284	1.6
55.05514	19.8
56.13258	1.3
56.96554	1.4
57.03441	1.3
57.07079	6.0
59.04977	1.2
59.10183	1.2
63.46044	1.0
65.03933	2.3
67.05506	23.7
69.03432	19.8
69.07070	42.8
69.44631	3.6
69.45059	6.4
77.03911	1.3
79.05490	37.4
81.03400	2.3
81.07057	40.0
81.63158	1.1
83.04980	15.3
83.08623	16.0
85.06519	2.2
91.05477	25.1
93.07046	62.4
94.07384	1.2
95.04968	7.6
95.08607	80.1
96.08929	1.2
97.06516	3.5
97.10172	10.4
101.54013	1.2
103.05495	5.7
105.07037	19.9
106.04070	1.3
106.07313	1.1
107.04946	15.9
107.08595	100.0
108.08862	1.4
109.06513	6.8
109.10156	50.0
111.11745	1.2
115.05437	2.3
117.06992	5.2
118.04230	1.6
119.08574	14.6
121.06505	8.4
121.10143	95.1
123.08061	3.9
123.11719	7.2
129.06984	3.4
130.04134	1.8
131.04939	5.9
131.08571	18.8
133.02725	1.4
133.06610	1.1
133.09143	2.3
133.10124	40.6
134.10448	1.3
135.04396	1.3
135.08063	18.6
135.11691	67.1
137.09631	6.1
141.13196	1.3
143.08525	4.0
144.09273	1.7
145.10141	9.9
147.11685	9.6
148.08789	1.6
149.09639	5.5
149.13268	23.2
158.10936	8.2
159.04387	1.4
161.09610	4.1
163.11163	3.4
163.14827	4.8
173.05939	1.2
173.09579	3.7
173.13271	21.3
176.11983	2.5
191.03386	3.4
191.07085	6.2
191.08876	1.2
191.10677	8.9
191.12495	2.5
191.14311	83.6
191.17941	89.5
192.18361	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	191.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01864	3.0
55.05507	20.7
57.07059	6.4
67.05499	19.6
69.03094	1.9
69.03427	22.0
69.07070	32.6
71.04963	1.7
74.03549	1.7
77.03887	2.2
79.05489	37.9
81.06608	2.3
81.07053	35.7
83.04981	13.3
83.08604	14.0
85.06522	2.1
91.04932	1.7
91.05469	21.9
93.07039	53.5
95.04951	7.9
95.08602	66.5
97.06519	4.1
97.10156	7.3
103.05462	6.7
105.03374	1.6
105.07032	25.2
107.04962	19.3
107.08588	90.2
108.08878	2.7
109.06501	5.1
109.10149	41.6
115.05430	3.5
117.06989	5.9
119.08582	14.0
121.06490	8.6
121.10135	86.8
123.08043	4.1
123.11697	7.1
130.04153	2.8
130.07724	1.7
131.04924	6.3
131.08557	17.5
132.05669	1.7
133.06563	2.2
133.10118	49.3
135.04422	2.2
135.08072	16.4
135.11678	51.2
137.09610	7.3
143.08540	6.0
145.10146	8.6
147.08025	2.6
147.11700	9.7
148.08765	1.6
149.02322	2.6
149.09596	8.2
149.13277	20.8
150.02660	5.8
158.10893	9.4
161.09605	6.5
163.03860	2.3
163.11198	4.7
163.14848	5.2
173.13258	27.1
174.13689	1.7
176.04735	2.0
176.12022	1.7
177.09848	1.5
191.03391	5.7
191.07068	8.8
191.10661	8.8
191.14296	100.0
191.17932	72.1
192.14658	4.1
192.18404	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	191.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11811	1.3
53.03939	2.8
55.01863	1.8
55.05511	23.0
57.03429	1.4
57.07077	6.2
65.03924	1.3
67.05502	21.7
68.77037	1.4
69.03425	19.2
69.06694	2.7
69.07066	46.8
69.45012	11.4
77.03912	1.6
79.05492	35.9
80.05779	1.3
81.06606	2.4
81.07055	35.0
83.04982	10.7
83.08619	16.8
85.06535	1.3
89.22254	1.2
91.05479	21.5
93.07043	57.2
93.88840	1.1
95.04964	7.6
95.08603	84.4
96.08955	2.8
97.06516	3.1
97.10168	11.4
103.05480	6.4
105.07030	22.0
107.04944	14.6
107.08591	92.6
108.08904	1.4
109.06524	8.0
109.10157	49.1
111.08038	1.8
111.11684	1.7
112.64194	1.4
117.07010	4.1
117.46528	1.3
118.04123	1.3
119.08572	10.0
121.06496	8.7
121.10141	100.0
122.10435	1.6
123.08051	4.0
123.11730	6.9
129.06981	2.8
131.04924	4.7
131.08542	12.9
132.05574	1.4
133.10124	33.7
135.08063	14.1
135.11688	68.9
136.12047	1.8
137.09579	4.7
143.08540	4.5
145.10110	8.5
147.08015	1.7
147.11656	8.2
148.08835	1.9
149.09613	6.8
149.13251	23.7
158.10907	4.6
161.09590	3.6
163.11232	1.9
163.14859	6.2
173.09540	2.7
173.13254	21.3
174.05556	1.5
176.04726	2.3
176.11873	1.8
191.03358	3.8
191.06993	3.9
191.08705	1.6
191.10652	8.9
191.14307	64.0
191.17944	97.1
192.14624	1.7
192.18280	2.6
211.97992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03923	1.6
55.05504	10.9
57.07071	3.3
57.75110	1.2
58.54905	1.0
65.48856	1.1
67.05502	12.2
69.01195	1.1
69.03426	8.6
69.07066	34.9
70.45733	2.9
71.08622	1.2
77.03886	1.2
79.05089	1.4
79.05495	19.6
81.06606	1.5
81.07051	21.1
83.04988	5.4
83.08617	13.4
85.96527	0.9
91.05475	11.8
93.07041	47.0
95.04977	3.1
95.08607	66.4
97.06548	1.5
97.10158	6.5
98.04178	1.2
103.05462	4.7
105.07023	10.4
107.04932	4.0
107.08588	55.8
108.08926	1.8
109.06506	2.7
109.10150	33.1
111.11717	1.3
115.05473	1.6
117.06993	1.8
119.08580	5.9
121.06521	2.2
121.10137	72.8
122.10441	1.8
123.08040	2.3
123.11713	6.4
129.06862	1.6
130.04198	1.2
131.04929	2.6
131.08554	7.8
133.10133	15.8
135.08064	6.6
135.11690	54.5
136.11961	1.2
137.09596	3.9
145.10136	4.2
147.11679	4.7
149.02318	1.2
149.09581	2.0
149.13258	13.7
158.10899	2.8
159.04498	1.4
163.11107	1.7
163.14792	3.9
173.13242	10.2
176.11856	1.4
177.92633	1.1
191.03351	1.3
191.07024	3.0
191.10693	5.6
191.14320	35.9
191.17935	100.0
192.14676	1.8
192.18277	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	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03945	4.8
55.05515	30.8
57.07074	5.3
67.05492	24.6
69.03420	8.3
69.07068	50.6
79.05491	23.0
81.07058	39.6
83.04991	3.7
83.08627	21.2
91.05486	19.8
93.07043	62.0
95.04971	6.1
95.08607	93.1
95.09198	5.8
97.10165	10.7
98.21537	7.9
103.05501	2.7
105.07045	14.7
107.04979	4.3
107.08597	81.5
109.06469	3.3
109.10162	56.9
110.07207	3.8
119.08581	7.8
121.10143	100.0
123.11707	9.5
131.08562	8.3
133.10143	16.0
135.08057	7.5
135.10732	5.8
135.11696	80.3
137.09608	3.6
145.10167	6.6
147.11691	3.5
149.08241	2.7
149.13252	17.5
158.10945	4.7
163.14854	2.8
173.13251	8.4
191.07007	3.0
191.10634	4.5
191.14268	24.4
191.17952	98.1
191.19672	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	193.0497
Annotation	Scopoletin
Peak:m/z	Relative Intensity
53.03939	0.7
55.01870	2.0
65.03934	0.6
66.04713	1.2
70.57642	1.1
76.03127	0.3
77.03924	0.6
78.04678	0.3
79.05495	6.1
81.03404	0.5
81.07053	0.4
89.03915	0.7
90.04724	0.7
91.05476	4.3
93.07060	0.5
94.04170	2.0
95.04053	0.3
95.04969	2.3
103.05466	8.2
104.02626	0.3
105.03403	1.7
105.07029	48.6
107.04954	0.6
109.06514	0.5
115.05457	10.8
117.06967	0.5
118.04165	5.7
119.04945	0.9
119.08595	0.6
121.06601	0.4
122.03624	2.8
123.04430	0.4
131.04906	1.8
132.02069	0.8
132.05742	0.6
133.02853	11.4
133.06485	47.0
134.06854	0.3
137.05974	1.4
143.04907	1.0
143.06055	3.1
147.04419	1.2
147.08020	0.4
149.05948	1.9
150.03120	20.2
161.02362	3.2
161.05974	48.6
162.06424	0.4
165.05469	1.3
178.02608	80.3
179.02971	0.9
190.05882	0.3
193.04959	100.0
193.08563	7.5
194.05333	2.1
194.08258	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	193.0496
Annotation	Scopoletin
Peak:m/z	Relative Intensity
55.01873	1.0
55.05501	0.3
58.65245	0.3
59.05014	0.3
62.40459	0.3
65.03945	0.5
66.04728	0.9
71.45330	0.5
76.03153	0.4
77.03924	0.4
79.05492	2.6
89.03883	0.5
91.05472	2.8
91.83408	0.3
94.04180	1.9
95.04974	1.3
97.02837	0.3
103.05469	4.2
104.02570	0.4
105.03412	1.4
105.07032	19.3
109.06483	0.5
114.85999	0.3
115.05460	4.8
118.04178	2.3
122.03645	3.8
131.04927	0.6
132.02068	1.1
133.02855	10.7
133.06491	17.3
137.05994	1.0
143.04994	0.6
143.06052	1.1
147.04391	0.7
149.05992	1.6
150.03122	24.0
151.03693	0.4
161.02348	3.1
161.05975	20.1
165.05473	1.1
175.11165	0.3
178.02612	83.1
179.02943	1.5
180.13141	0.3
193.04965	100.0
194.05235	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	193.0496
Annotation	Scopoletin
Peak:m/z	Relative Intensity
53.03947	0.5
55.01865	0.2
55.05515	0.5
57.03442	1.3
57.07073	0.3
65.03953	0.4
66.04742	0.4
67.05505	0.6
69.03435	0.7
70.32035	0.3
70.32375	1.0
71.04984	0.6
76.03168	0.3
77.03941	1.0
79.05480	1.6
79.61872	0.3
79.84222	0.3
81.03413	0.3
81.07050	4.2
83.04969	1.8
85.06509	0.3
85.98101	0.2
87.78017	0.2
89.03938	1.4
91.05485	2.7
93.07042	0.9
94.04189	1.1
95.04954	1.2
95.08609	0.6
103.05473	0.7
105.03384	4.6
105.07033	3.6
107.04957	0.4
107.08576	1.3
109.06518	6.8
109.10152	0.5
111.08062	0.3
115.05457	0.6
117.03377	0.9
119.04926	0.6
119.08585	5.1
121.06479	0.9
122.03649	1.5
123.08076	1.1
123.11725	0.6
124.50748	0.3
129.07042	0.2
131.08582	0.3
132.02068	0.5
133.02847	10.6
133.06464	1.7
133.10112	1.9
134.03630	5.4
135.04433	0.5
135.08020	2.0
137.05974	3.8
137.09586	1.4
142.07721	0.6
145.06494	0.8
145.10098	0.3
146.07269	0.3
147.04387	0.9
147.08031	1.0
147.11664	2.2
149.05974	6.3
150.03120	16.5
151.03857	0.4
151.11192	2.2
157.10085	0.4
160.08833	2.4
161.02342	8.8
161.05994	2.1
165.05450	0.7
165.12752	0.7
175.11179	6.9
175.14836	1.1
178.02608	42.7
179.02936	0.8
193.04962	100.0
193.12215	6.6
194.05321	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	193.0495
Annotation	Scopoletin
Peak:m/z	Relative Intensity
50.09369	0.2
51.02399	0.3
51.87397	0.2
54.01913	0.2
59.57393	0.2
65.03926	0.3
66.04731	0.6
69.56602	1.3
76.03128	0.3
77.03934	0.7
78.04680	0.2
79.05495	0.3
81.03424	0.3
89.03916	1.8
91.05475	1.1
93.89635	0.2
94.04190	0.9
95.04978	0.6
103.05450	0.4
105.03393	4.7
105.07032	1.2
106.04178	0.4
106.66917	0.2
109.06517	0.3
112.17862	0.2
117.03369	1.1
119.04941	0.4
121.02889	0.2
121.06499	0.4
122.03636	1.8
132.02052	0.4
133.02852	9.4
133.06491	0.6
134.03641	5.4
135.04372	0.4
137.05980	3.0
147.04437	0.6
149.05980	7.8
150.03127	16.4
151.03831	0.6
161.02344	9.9
161.05911	0.7
165.05479	0.3
168.56310	0.2
178.02611	39.7
179.02971	0.7
183.33504	0.2
193.04961	100.0
194.05304	1.9
209.51598	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	193.0496
Annotation	Scopoletin
Peak:m/z	Relative Intensity
53.03955	0.5
55.05513	0.5
65.03924	0.6
66.04750	0.7
67.05499	0.8
69.07094	0.5
71.19888	1.1
71.89450	0.5
79.05490	0.8
81.03423	3.0
81.07060	1.3
83.08648	0.5
84.01566	0.4
89.03900	0.9
91.05493	2.8
93.07047	0.8
94.04195	1.0
95.04978	1.7
95.08620	0.9
103.05459	1.0
105.03418	2.1
105.07046	1.6
107.08609	0.9
109.06557	0.4
109.10175	1.2
119.08590	2.0
121.10144	0.6
122.03664	3.0
123.08086	0.6
132.02089	1.2
133.02863	12.8
133.06436	0.6
133.10121	2.6
134.03653	1.5
135.11710	0.9
137.05965	1.8
147.04388	0.8
147.11722	1.4
149.05974	2.5
150.03130	22.6
161.02333	5.2
161.05988	0.8
165.05486	1.2
175.04219	0.4
175.14880	2.9
178.02617	77.5
179.02986	1.1
187.80382	0.4
193.04970	100.0
193.15967	0.6
194.05333	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	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02377	0.8
53.03944	2.4
55.01873	5.0
55.05512	5.7
56.96559	2.5
57.03437	2.3
57.07068	1.5
59.04991	0.4
65.03943	2.2
66.04716	1.3
67.05139	0.8
67.05502	13.7
68.05030	0.4
68.09671	0.3
68.99789	0.4
69.03428	2.2
69.07068	2.2
69.59489	1.8
69.59888	0.8
71.01361	0.3
71.04977	1.6
73.02922	0.4
76.03153	0.5
77.03939	1.2
78.04705	0.5
79.05490	19.4
80.05867	0.4
81.03416	44.3
81.06599	0.6
81.07053	8.4
81.07537	0.5
82.03768	0.4
83.04971	3.0
83.08615	5.0
83.64641	0.4
84.96024	0.3
85.06542	0.6
89.03934	2.2
90.04722	0.8
91.05478	29.6
92.05796	0.5
93.03408	0.4
93.07037	9.5
94.04197	1.9
94.06524	0.4
95.04965	22.4
95.08611	3.8
97.02895	2.0
97.06516	1.2
97.10175	0.6
98.21495	0.7
98.97578	1.4
99.08090	0.5
102.99618	0.3
103.04929	0.3
103.05463	11.8
104.06260	1.0
105.03397	5.9
105.04517	0.9
105.07028	79.0
106.04220	0.5
106.07346	1.2
107.04951	5.0
107.06084	0.5
107.08594	4.0
109.02882	0.5
109.06515	4.5
109.07641	0.6
109.10159	3.8
111.04449	1.6
111.08070	1.4
115.05458	14.9
116.98603	1.3
117.03377	0.4
117.07024	3.8
118.04162	8.2
119.01915	0.4
119.04998	3.4
119.08579	11.2
121.02868	0.5
121.06497	2.5
121.10108	2.2
122.03651	4.0
122.07138	0.4
123.04475	2.0
123.08080	1.7
123.11666	0.6
128.06261	0.4
128.98564	0.5
129.06995	4.4
130.06451	0.4
131.04919	3.2
131.08554	5.4
132.02069	0.9
132.05719	1.9
133.02855	13.3
133.06488	75.9
133.10121	24.2
134.03673	2.6
134.06819	1.8
134.10451	0.4
134.99664	0.9
135.04402	0.8
135.08022	1.3
135.11691	1.3
136.07542	0.5
136.51620	0.3
137.02252	0.4
137.05991	5.9
137.09630	2.2
142.07755	1.4
143.04901	1.2
143.06036	3.1
144.04439	3.4
145.04768	0.5
146.03627	3.0
146.97482	0.5
146.99643	1.0
147.04395	3.2
147.05455	0.6
147.08057	3.2
147.11684	6.4
148.07558	0.5
148.08649	0.5
149.02324	1.0
149.05984	4.4
149.09627	2.7
149.13318	0.5
150.03120	23.5
151.03806	1.4
151.07521	1.1
151.11156	1.4
157.10143	3.3
160.05138	0.5
161.02364	7.7
161.05974	58.2
162.06425	1.3
163.03867	0.6
165.05447	2.2
165.09097	1.5
165.12744	0.9
169.50465	0.4
169.99084	0.6
175.03899	1.0
175.07547	1.2
175.11163	5.9
175.14824	2.7
177.00671	0.6
178.02608	63.8
179.02945	1.4
179.07004	0.8
182.07272	0.7
193.04958	100.0
193.08595	21.8
193.12219	12.5
193.15889	2.8
193.17499	0.5
194.05319	3.3
200.37929	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	193.086
Annotation	(+)-Harzialactone A
Peak:m/z	Relative Intensity
50.01604	0.5
51.02386	0.9
53.03952	4.5
55.01874	6.2
55.05504	0.5
57.03403	0.5
58.96973	0.4
59.05000	1.1
65.03931	1.0
67.05512	2.6
69.67585	2.9
77.03946	1.3
79.05495	15.2
79.13562	0.4
81.03422	11.1
81.07063	1.6
83.08593	0.8
87.04444	0.7
91.05482	50.3
92.05803	0.6
92.74850	0.5
93.07045	43.2
94.04221	1.1
94.07388	0.5
95.04972	13.5
95.08614	0.7
97.02907	0.5
102.97906	0.5
103.05464	11.3
104.06268	2.1
105.03397	5.3
105.04543	2.0
105.07033	100.0
106.07378	1.3
107.04946	2.2
107.08597	1.7
109.06522	1.5
109.10158	0.6
115.05456	31.8
116.06310	3.9
117.07018	51.3
118.04153	1.7
118.07385	0.8
119.04936	2.6
119.08580	7.4
121.06506	8.1
121.10178	1.3
122.03644	1.1
123.04434	1.1
123.08065	1.2
129.07014	3.8
131.04921	4.6
131.08577	5.7
132.05759	2.1
133.02866	4.6
133.06490	78.0
133.10132	2.0
134.07292	1.0
135.08063	1.8
137.05962	2.6
137.09610	0.6
143.04913	1.7
143.05959	0.6
147.04378	0.7
147.08018	1.2
147.11656	1.4
149.05975	2.7
149.09625	3.8
150.03149	3.4
151.07599	1.1
161.02362	1.0
161.05984	18.5
163.07545	1.3
165.05489	12.2
165.09128	1.2
175.11145	1.0
175.14757	1.0
178.02612	11.5
189.67468	0.5
193.04968	18.1
193.08598	39.0
193.12192	2.4
193.16020	0.5
194.05168	0.6
194.08948	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
51.02165	0.3
51.02375	0.5
53.03942	1.8
55.01867	4.4
55.05510	2.7
56.96569	1.1
57.03441	0.9
57.07074	1.1
62.53113	0.2
63.40845	0.3
65.02605	0.3
65.03944	1.1
66.04727	1.1
67.05504	7.7
68.99799	0.4
69.03423	1.0
69.07079	2.0
71.04987	1.1
71.49895	0.3
76.03150	0.3
77.03930	1.0
78.04688	0.3
79.05492	18.6
80.05829	0.3
81.03417	12.3
81.07053	6.0
83.01338	0.8
83.04990	2.2
83.08624	1.5
85.06538	0.7
85.89553	0.3
89.03915	0.6
91.05480	16.2
93.03406	0.3
93.07041	15.6
94.04188	2.1
95.04968	11.7
95.08604	4.1
97.02880	0.5
97.06534	1.0
97.71459	0.3
103.05467	11.6
104.02608	0.4
104.06307	0.5
104.69549	0.3
105.03395	2.1
105.04543	1.2
105.07030	71.7
106.07348	1.4
107.04947	3.2
107.08591	3.8
108.15870	0.3
109.06522	3.7
109.10153	5.8
111.04431	0.6
111.08073	0.6
113.05954	0.4
115.05456	12.4
116.06307	0.5
117.07040	1.1
118.04168	1.8
119.04945	2.2
119.08578	5.2
120.05757	0.3
121.02875	0.4
121.06501	1.3
121.10150	1.6
122.03647	3.1
122.07324	0.4
123.04442	1.3
123.08074	1.8
123.11699	1.1
129.07022	1.8
129.52460	0.3
131.03387	1.0
131.04926	1.7
131.08530	1.7
132.02107	0.6
132.05708	1.3
133.02856	11.2
133.06490	58.7
133.10110	6.3
134.03682	0.8
134.06900	0.9
135.04431	0.7
135.08083	1.0
135.11681	2.7
137.05988	3.5
137.09605	4.5
142.07777	0.7
143.04921	1.2
143.06059	2.9
145.10126	0.5
146.97453	1.1
146.99667	0.5
147.03397	0.3
147.04390	1.7
147.08026	1.9
147.11676	4.4
149.02333	0.4
149.05948	1.9
149.09601	1.4
149.13268	0.5
150.03119	22.4
150.06717	0.7
151.03549	0.5
151.07530	0.6
151.11188	0.9
157.10146	1.3
161.02338	3.7
161.05978	25.8
162.06383	0.4
163.03886	0.5
165.05478	1.4
165.06804	0.3
165.09103	2.0
165.12704	0.7
169.99068	0.7
175.03909	0.8
175.07510	0.7
175.11157	2.3
175.14838	2.4
178.02608	84.2
178.07657	2.1
179.02946	2.4
179.07011	2.6
193.04961	100.0
193.08598	8.3
193.10175	2.2
193.12248	6.9
193.15912	5.3
193.17719	0.6
194.05315	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	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02376	1.2
53.03944	7.2
53.08470	0.9
55.01867	2.3
55.05516	8.4
57.03446	0.9
57.76101	1.0
58.75276	0.8
59.04997	1.1
65.03931	2.5
67.05505	27.0
69.07068	7.4
70.02686	3.9
70.03060	1.7
71.04991	13.4
73.06567	1.1
77.03912	2.2
79.05492	54.1
81.03423	6.5
81.07056	20.2
83.04982	5.2
83.08607	1.9
85.06551	4.2
87.04475	0.9
88.54457	0.8
91.05481	95.6
92.99064	0.9
93.07043	100.0
95.04968	25.4
95.08556	2.1
97.06517	1.7
103.05457	1.4
105.04493	2.9
105.07027	45.8
107.04954	2.4
107.08575	4.4
109.06492	4.8
109.28700	1.0
109.72056	1.0
111.08087	1.2
113.05965	1.1
115.05464	1.8
116.06206	1.0
117.07018	1.4
119.08580	17.0
121.06508	1.0
123.08116	1.0
127.07537	1.8
128.06187	1.0
129.06993	17.4
131.07620	1.8
131.08565	25.1
133.02840	3.4
133.06604	1.8
133.10124	93.1
134.10429	1.7
135.07986	1.5
142.07776	5.2
147.08040	4.4
147.11685	18.5
150.03120	9.5
151.07510	0.9
157.10126	19.1
157.92934	0.8
161.02304	1.5
175.11192	18.5
178.02612	32.9
193.04967	36.0
193.12244	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	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02382	1.6
53.03948	7.5
53.24362	0.8
55.01867	1.7
55.05513	6.3
57.07064	0.9
61.33270	0.8
65.03931	2.1
67.05507	28.7
69.07076	6.8
69.77036	4.5
71.04992	10.7
72.15406	0.8
72.71471	0.7
73.17802	0.7
77.03911	2.2
79.05494	53.6
81.03416	6.6
81.06601	1.6
81.07056	20.1
83.04987	4.0
83.08608	2.1
85.06554	3.7
87.04485	1.3
91.05482	100.0
93.03426	0.8
93.07046	95.9
94.07355	0.9
95.04972	21.9
95.08640	1.9
97.06536	3.0
98.21546	0.9
103.05444	1.0
105.04525	3.1
105.07033	38.9
107.04948	2.3
107.08601	3.3
109.06513	6.4
109.19007	0.8
110.84628	0.7
110.87568	0.7
111.08078	0.9
113.06001	3.8
115.05462	2.5
116.06198	0.8
117.07039	1.8
119.08585	18.8
121.10125	0.9
123.08076	1.0
127.07578	1.3
128.06221	0.8
129.07004	19.4
131.08575	25.9
131.54012	0.7
133.02844	3.6
133.06494	2.2
133.10130	97.4
134.10504	1.9
137.05907	0.8
142.07770	4.8
147.08081	5.2
147.11685	17.4
148.12006	0.7
149.09653	2.3
150.03105	5.6
157.10136	21.7
161.06030	1.3
175.11198	16.1
178.02620	21.2
179.02867	0.9
187.33252	0.8
193.04977	24.4
193.12241	15.2
194.05399	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	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02376	0.5
53.03945	4.1
55.01871	3.5
55.05511	6.8
56.96561	0.7
57.03436	2.2
57.07076	0.7
64.24131	0.4
65.03939	3.0
67.05504	23.8
69.03432	3.0
69.07062	2.3
70.84014	0.4
70.84344	0.9
71.01370	0.5
71.04990	1.5
74.01204	0.3
74.54978	0.3
77.03918	0.3
78.04706	0.4
79.05494	18.5
81.03418	100.0
81.07056	12.8
81.07539	0.6
82.03753	0.6
83.04977	4.6
83.08618	10.4
85.02917	0.5
85.06573	0.6
91.05482	20.7
92.05815	0.4
93.06491	0.8
93.07043	8.3
94.04186	0.7
95.04966	39.4
95.08599	3.1
97.02883	2.0
97.06521	1.5
97.10171	0.9
98.97589	0.4
103.05461	2.5
104.06245	0.4
105.03381	0.8
105.04491	0.6
105.07028	20.7
107.04951	8.5
107.08593	4.0
108.08901	0.4
109.06529	2.8
109.10153	1.7
111.04476	1.8
111.08067	3.2
115.05484	3.3
115.43239	0.4
116.06244	0.7
116.98659	0.4
117.07053	2.1
118.04143	0.8
119.04920	2.1
119.07719	0.5
119.08577	9.6
121.06499	3.2
121.10149	3.8
122.03606	0.7
123.04423	1.3
123.08051	1.2
128.06189	0.8
129.07008	8.3
131.04909	0.4
131.08563	6.9
133.02846	2.8
133.06482	9.5
133.10126	5.1
135.04362	0.4
135.11679	1.0
137.05956	1.4
137.09627	1.6
142.07790	2.5
145.10059	0.5
147.04436	2.9
147.08061	3.4
147.11682	6.0
149.02341	0.8
149.05954	0.6
149.09630	3.5
150.03119	4.5
151.11186	0.5
157.10132	5.0
161.02394	1.2
161.05971	6.1
163.70920	0.4
165.05455	0.8
165.09143	0.5
165.12737	0.8
175.03873	2.3
175.11174	5.9
178.02612	16.2
193.04962	22.6
193.08646	2.9
193.10402	0.7
193.12227	11.5
193.15849	1.2
193.17506	0.4
194.05176	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	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02366	0.4
52.06859	0.3
53.03947	3.6
54.31048	0.3
55.01876	3.3
55.05245	0.4
55.05512	7.3
57.03436	2.9
57.07069	0.9
65.03941	2.1
67.05505	24.7
69.03439	2.8
69.07072	2.1
70.64069	1.0
71.01353	0.6
71.04995	1.8
79.05496	18.5
80.84766	0.3
81.03419	100.0
81.07054	13.0
81.07537	0.6
82.03756	0.8
83.04981	4.8
83.08624	10.4
85.02868	0.3
85.06551	0.6
91.05482	19.2
93.06494	0.6
93.07050	9.0
93.07650	0.5
95.04970	38.7
95.08612	4.2
97.02896	1.8
97.06537	1.4
97.10173	1.0
98.20784	0.4
103.05500	1.9
104.06261	0.3
105.03403	0.7
105.04525	0.6
105.07033	17.5
107.04957	7.4
107.08591	3.8
109.06525	3.3
109.10147	3.3
111.04458	1.9
111.08104	2.4
115.05465	2.9
116.06245	0.4
117.07039	1.0
118.04156	0.7
119.04934	1.3
119.08583	11.2
121.06529	2.3
121.10145	3.3
121.25399	0.3
122.03645	0.5
123.04443	1.3
123.08077	1.0
123.11703	0.9
128.06204	1.0
129.07016	7.9
131.04901	0.6
131.08577	6.5
133.02875	2.4
133.06491	8.2
133.10120	5.9
134.07259	0.4
135.04428	0.5
135.08087	0.6
135.11668	0.6
137.05978	0.7
137.09634	1.3
142.07755	2.7
143.06017	0.5
145.10115	0.5
147.08055	3.7
147.11694	5.8
149.05966	0.7
149.09615	3.3
149.13219	0.7
150.03145	4.3
157.10139	5.1
161.02354	0.5
161.05981	4.3
165.05493	0.6
165.09169	0.4
165.12726	0.9
175.11197	5.5
175.14842	2.6
178.02612	16.5
179.02988	0.7
193.04971	19.4
193.08632	2.9
193.10402	0.6
193.12239	10.8
193.15878	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	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02385	1.5
53.03952	5.8
55.01875	5.1
55.05514	9.7
56.20797	0.7
56.96570	0.8
57.03434	4.1
57.07078	1.4
59.69019	0.6
61.36965	0.7
65.03948	2.6
67.05508	31.2
69.03432	3.2
69.07073	5.8
69.97696	0.6
70.10941	1.7
70.11346	1.1
71.01328	0.9
71.05011	4.6
77.03934	1.1
79.05497	30.9
80.19317	0.6
81.03423	100.0
81.07059	18.8
83.04980	5.6
83.08624	15.2
85.02905	1.1
85.06552	1.3
91.05485	49.9
93.07049	25.4
94.04189	1.5
95.04973	43.4
95.08605	7.0
97.02908	2.6
97.06541	4.3
97.10193	1.2
103.05482	3.8
105.03428	0.9
105.07036	36.4
107.04955	9.1
107.08607	6.5
109.06522	6.3
109.10172	3.0
111.04453	2.9
111.05155	0.6
111.08073	3.0
113.06023	1.2
115.05464	5.6
117.07046	2.1
119.04938	2.0
119.08594	19.2
121.06538	1.9
121.10136	4.5
122.03658	1.6
122.07325	0.7
123.08087	2.5
123.11702	1.3
125.09707	0.6
128.06233	1.1
129.07022	14.2
131.08572	15.7
133.02884	4.5
133.06502	13.9
133.10133	47.7
135.08083	1.4
135.11691	1.4
137.05969	2.2
137.09630	2.1
142.07800	4.2
147.04436	1.3
147.08058	7.2
147.11699	17.9
149.09636	11.4
149.13275	1.0
149.69879	0.6
150.03111	8.8
151.07535	0.9
151.11253	0.7
154.05635	0.7
157.10143	16.1
161.02306	1.5
161.05995	6.3
165.05510	1.3
165.12770	1.3
175.11203	23.4
175.14835	4.1
178.01030	0.9
178.02625	33.8
193.04976	45.6
193.08611	4.8
193.10439	1.5
193.12256	25.2
193.15912	5.1
193.17613	1.0
194.05342	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	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
50.01609	0.3
51.02386	0.3
53.03945	3.8
54.13814	0.3
55.01870	3.4
55.05510	8.6
56.96557	0.4
57.03439	2.6
57.07095	0.3
58.96152	0.3
65.03941	2.5
67.05505	23.5
69.03434	2.8
69.07064	2.5
69.89165	1.4
71.01343	0.5
71.04993	1.9
77.03897	0.4
79.05493	18.7
81.03417	100.0
81.07054	13.2
81.07542	0.6
81.56856	0.3
82.03731	0.7
83.04972	5.2
83.08619	11.2
85.02895	0.5
85.06538	0.6
91.05482	19.0
93.07043	9.1
94.04167	0.8
95.04964	38.0
95.08609	2.4
97.02882	2.3
97.06518	2.2
97.10172	0.9
99.08087	0.4
103.05476	2.0
105.03406	0.5
105.04527	0.5
105.07030	18.9
107.04957	8.5
107.05656	0.6
107.08606	3.5
109.06509	3.1
109.10132	1.9
111.04451	1.6
111.08086	1.7
115.05474	3.0
116.06236	0.7
117.07028	1.7
118.04138	0.8
119.04953	1.3
119.08588	9.5
121.06480	1.7
121.10148	2.9
122.03648	0.8
123.04444	0.8
123.07283	0.3
123.08077	1.3
123.11694	0.6
125.09586	0.3
128.06219	1.0
129.07010	7.9
131.04893	0.5
131.08572	6.2
131.33815	0.3
132.05753	0.3
133.02835	2.3
133.06490	9.2
133.10115	5.9
135.08038	0.4
135.11653	0.6
137.05960	1.1
137.09619	1.3
141.06938	0.3
142.07762	2.9
143.06020	0.3
143.85748	0.3
145.10107	0.5
147.04366	0.5
147.08037	4.4
147.11678	5.8
148.47723	0.3
149.01190	0.3
149.06038	0.6
149.09627	3.5
150.03122	5.2
150.06732	0.3
151.11171	0.6
157.10124	5.9
160.99226	0.3
161.02274	0.9
161.05981	6.1
165.05443	0.5
165.09103	0.7
165.12769	1.1
174.66357	0.3
175.11182	6.1
175.14827	1.2
178.02615	20.6
179.02885	0.6
193.04959	23.7
193.08585	2.6
193.12227	11.2
193.15862	1.3
194.05304	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	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
50.01598	0.4
51.02383	0.5
53.03944	3.1
53.49442	0.3
54.87122	0.3
55.01877	3.3
55.05512	9.5
56.96588	0.4
57.03441	2.8
57.07073	0.6
57.21660	0.3
57.86426	0.3
64.65781	0.3
65.03931	2.5
66.04705	0.6
67.05505	29.3
69.03432	3.0
69.07055	3.2
70.03577	1.4
71.01345	1.0
71.04991	2.2
77.03928	0.6
79.05493	21.0
81.03417	100.0
81.07054	14.0
81.07542	0.6
82.03748	0.4
83.04977	4.3
83.08618	11.6
85.02892	0.5
85.06543	0.6
85.63731	0.3
89.03922	0.3
91.05479	23.1
93.07044	10.1
94.04183	1.1
95.04967	42.4
95.08598	4.1
96.05261	0.4
97.02883	2.7
97.06519	1.6
97.10181	0.5
98.20912	0.3
99.08089	0.4
103.05466	2.0
105.03380	0.9
105.04527	0.7
105.07030	20.6
105.84228	0.3
107.04234	0.4
107.04952	7.9
107.08585	3.5
109.06518	3.9
109.10177	1.4
110.41196	0.3
111.04418	2.1
111.08073	2.2
115.05455	3.2
116.06251	0.8
116.82021	0.3
117.07043	1.5
118.04147	0.9
119.04947	1.6
119.08578	11.6
121.06509	2.3
121.10150	3.6
122.03671	2.0
123.04408	0.4
123.08076	1.4
123.08887	0.3
123.11693	0.5
125.05979	0.3
128.06255	0.5
129.07001	9.2
131.04951	0.5
131.08554	6.8
132.02034	0.3
133.02858	5.8
133.06491	9.3
133.10126	7.8
134.03543	0.4
135.04410	0.4
135.08044	0.4
135.11697	1.2
137.05942	1.5
137.09616	1.3
142.07782	3.1
143.06053	0.3
145.10115	1.2
147.04370	0.9
147.08043	3.1
147.11685	6.1
149.06001	0.9
149.09618	3.8
149.13275	0.7
150.03120	12.2
151.03508	0.3
155.08574	0.3
157.10133	5.9
161.02339	1.6
161.05971	4.8
165.05467	0.7
165.09111	0.4
165.12772	1.2
175.03879	0.6
175.11191	6.1
175.14803	1.9
176.11539	0.3
176.47688	0.3
178.02609	43.5
179.02959	1.2
193.04964	46.3
193.08556	2.8
193.12238	10.9
193.15901	2.5
194.05325	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03944	2.4
55.05519	10.5
57.07063	3.0
59.04993	2.5
66.41200	1.3
67.05515	9.4
69.07067	26.2
70.12872	5.3
70.13228	1.2
71.04674	1.4
71.04994	18.1
79.05498	10.1
80.58582	1.5
81.03407	4.2
81.07055	24.1
83.08604	4.6
85.06544	14.1
91.05488	8.7
93.06510	1.8
93.07052	28.6
95.04390	2.5
95.04975	38.9
95.08616	19.1
97.06528	4.2
97.10157	6.7
98.21610	1.3
99.08086	4.4
103.05499	1.3
105.07024	13.2
107.07895	2.5
107.08597	35.4
109.06520	100.0
109.09497	1.4
109.10172	13.0
110.06877	1.8
110.10423	1.3
111.08055	6.8
111.11701	2.5
119.08578	25.0
121.10144	9.9
123.08089	6.9
123.11718	23.4
132.01978	1.5
133.02824	8.8
133.06474	3.3
133.10136	20.5
135.11696	32.4
137.05940	1.3
137.09621	13.1
137.13249	1.2
138.51883	1.5
140.65619	1.4
147.11649	3.4
149.02386	1.9
149.13287	7.8
150.03136	16.7
151.11176	7.6
161.02335	3.5
165.55974	1.2
175.13318	2.9
175.14827	45.5
176.20157	1.3
178.02614	54.7
179.02875	2.4
193.04967	70.4
193.12238	4.6
193.15895	59.3
193.17703	2.1
194.05327	3.8
194.15964	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03932	3.1
55.01866	3.7
55.05510	11.2
56.96556	0.9
57.03428	3.9
57.07070	2.0
59.04992	0.6
65.03935	1.6
66.04730	1.6
67.05502	23.5
69.03424	3.8
69.07067	15.6
69.62103	2.2
69.62512	1.0
69.65111	0.5
71.04996	3.3
75.58158	0.5
76.03140	0.5
77.03926	0.7
79.05018	1.0
79.05489	23.2
81.03413	72.9
81.07050	24.8
81.07538	1.0
82.03719	0.7
83.04969	4.3
83.08616	13.6
85.06546	2.0
91.05474	22.3
93.07035	14.6
94.04192	2.2
95.04961	33.7
95.08598	14.7
96.05274	0.8
97.02898	1.4
97.06533	8.7
97.10154	1.3
99.08100	1.3
103.05457	6.3
104.06281	0.7
105.03418	1.6
105.04523	0.7
105.07027	41.2
106.07383	1.0
107.04954	8.0
107.08591	14.2
107.09317	0.7
108.05724	0.5
108.08960	0.5
109.06510	21.9
109.09386	0.8
109.10147	11.5
111.04452	1.5
111.08069	5.3
111.11732	2.9
115.05450	7.0
116.06194	0.6
117.07034	2.3
118.04145	3.5
119.04927	2.2
119.08575	22.1
121.02881	0.5
121.06497	2.5
121.10138	7.2
122.03635	4.1
123.08064	19.3
123.08984	0.9
123.11704	4.5
125.09636	0.7
128.06187	0.6
129.06987	5.7
131.04916	1.4
131.08574	5.6
132.02045	1.0
133.02843	11.5
133.06483	24.1
133.10124	22.3
134.03369	0.6
134.10410	0.8
135.04407	1.1
135.08051	1.6
135.11682	16.7
137.06000	4.1
137.09607	9.4
142.07756	2.2
142.51466	0.5
143.06015	0.9
145.10202	0.7
147.04361	2.5
147.08057	3.1
147.11690	9.7
149.02406	0.5
149.05989	3.0
149.09622	3.5
149.13245	2.2
150.03113	22.5
150.06723	2.0
151.03510	0.7
151.11182	1.4
157.10088	3.8
161.02341	3.7
161.05977	16.8
162.06317	0.7
165.05498	1.6
165.09157	2.6
165.12764	1.4
165.16348	0.7
171.10518	0.6
172.38519	0.5
175.03902	0.8
175.11218	5.6
175.14813	16.9
176.15182	0.8
178.02603	85.1
179.02942	3.2
193.04956	100.0
193.08574	8.8
193.12212	11.3
193.15877	30.4
194.05333	4.1
194.16100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	Enalin A
Peak:m/z	Relative Intensity
51.02374	1.0
51.48940	0.4
52.66623	0.4
52.96139	0.4
53.03945	7.4
55.01872	3.7
55.05505	1.6
56.47621	0.4
56.96551	0.7
57.03458	0.5
65.03933	2.1
67.05510	6.6
69.03432	3.6
69.07051	1.2
70.06233	0.7
70.06566	1.9
71.01351	3.5
71.04980	1.3
73.02908	1.6
77.03931	1.5
78.01061	0.4
79.05492	25.8
81.03426	4.6
81.07045	4.9
83.04960	1.5
83.08603	0.7
85.02895	0.8
85.06524	0.5
88.68536	0.4
89.02443	0.5
89.03927	0.7
89.06010	0.5
91.05482	9.5
93.07045	9.1
95.01325	1.5
95.04965	100.0
95.08595	1.2
96.05283	0.9
97.02888	9.0
97.06523	2.6
99.04443	0.5
103.05465	13.3
105.03371	2.2
105.04501	2.9
105.07026	2.6
107.04952	39.9
107.08586	2.1
109.02873	25.7
109.06512	2.8
109.10161	0.7
111.04435	1.2
111.08082	0.5
115.05452	0.7
117.03377	1.6
117.07026	0.6
119.04922	0.9
121.02865	1.0
121.05840	0.2
121.06501	12.8
121.10132	1.2
123.04427	14.6
123.08057	0.6
125.02355	8.6
125.05971	6.1
127.03920	6.1
131.04942	6.7
131.05885	0.7
131.08615	0.5
133.02852	1.9
133.10159	0.5
135.04414	9.8
135.05446	0.6
135.08035	2.6
135.11699	2.0
138.06638	2.0
139.03894	0.9
139.07516	0.6
145.01906	0.4
145.02805	2.3
147.04439	0.6
148.97427	0.4
149.02386	1.4
149.05972	12.4
149.09616	1.3
151.03900	28.6
153.05470	7.8
153.25000	0.4
159.04414	6.6
159.11693	0.7
163.03952	1.3
163.07529	2.0
167.03400	3.7
167.07056	2.7
169.97318	0.5
177.05464	8.7
177.09090	1.2
177.12752	0.5
181.94902	0.4
195.06538	6.0
195.08701	2.5
195.10269	3.4
195.13828	1.1
195.17677	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	195.0653
Annotation	5-Hydroxyconiferaldehyde
Peak:m/z	Relative Intensity
51.02374	2.0
53.03954	11.4
55.01874	19.8
55.05508	6.3
56.96559	3.0
57.03436	1.9
57.07056	1.0
58.20113	0.9
59.04984	1.4
65.03934	5.9
67.05508	20.2
68.99760	1.2
69.03431	7.2
69.07066	2.8
70.10479	3.7
71.01347	7.7
71.04978	2.7
73.02892	1.8
77.03905	2.5
79.05495	94.0
81.02940	1.4
81.03418	26.9
81.07058	31.9
83.01326	3.6
83.04980	9.8
83.06126	1.4
85.02910	1.5
86.16106	0.9
89.03908	3.0
89.06013	2.7
90.87617	1.0
91.05482	29.5
93.03395	2.3
93.07047	27.8
93.07639	1.3
95.01333	15.2
95.04972	94.5
95.08613	2.7
97.02907	10.5
97.06521	5.1
98.21404	1.3
98.97575	1.7
99.04479	0.9
103.05469	25.6
105.03419	5.1
105.04503	4.6
105.07016	13.7
107.04958	100.0
107.08588	13.4
109.02877	63.9
109.03481	0.7
109.03979	1.3
109.06512	16.7
109.10131	1.1
110.07153	2.3
111.04441	5.7
111.05592	1.0
111.08085	2.7
115.05457	3.4
116.68715	0.9
117.03400	6.8
117.07027	9.1
119.04923	3.2
119.08560	1.8
121.02924	1.9
121.06508	27.8
121.10168	4.8
123.00783	1.3
123.04430	23.2
123.08083	2.0
123.09154	0.9
125.02361	13.1
125.05997	11.8
127.03929	10.8
128.02292	2.5
131.04930	13.3
131.08559	1.7
133.02823	3.5
133.06512	1.9
133.10074	1.2
134.03610	1.5
134.99648	1.3
135.03426	1.8
135.04419	24.9
135.08057	28.6
135.11703	3.5
137.05994	1.7
137.09642	1.5
138.06624	11.6
139.03848	2.1
139.07515	3.1
141.05467	55.9
145.02852	12.5
145.06491	1.8
147.04379	1.3
148.56161	1.1
148.97296	1.8
149.02318	2.1
149.05978	26.4
149.09550	5.5
151.03906	49.9
151.07500	1.9
153.05470	57.8
159.04411	11.1
163.03905	7.9
163.07556	32.2
165.05550	2.2
165.06894	1.1
167.03410	4.2
167.07063	7.8
167.10655	2.1
177.05466	30.1
177.09030	4.6
177.12683	2.2
180.03104	2.0
195.01146	1.2
195.02933	1.6
195.06505	15.8
195.08698	15.2
195.10193	20.8
195.13805	2.6
195.15627	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	Enalin A
Peak:m/z	Relative Intensity
51.02375	0.5
53.03949	7.4
55.01877	3.1
55.05508	0.7
61.15294	0.4
65.03955	0.8
67.05501	5.9
69.03431	3.9
69.25037	4.7
69.73328	0.4
71.01343	2.9
71.04989	0.8
73.02908	1.7
77.03929	2.0
79.05493	22.8
81.03413	4.0
81.07066	3.8
83.01345	0.9
83.04972	1.1
91.05475	7.2
93.07039	6.8
95.04965	100.0
97.02886	10.0
97.06528	1.5
103.05463	12.3
105.03414	0.9
105.04522	2.7
105.07032	2.1
107.04952	32.4
109.02879	31.9
109.06494	1.2
111.04459	0.8
119.04935	1.2
121.06500	12.9
121.07393	0.7
123.04426	14.5
124.04795	0.5
125.02348	8.0
125.05983	6.1
127.03912	7.2
131.04942	7.0
131.05910	0.9
133.02869	1.5
135.04420	7.2
147.04427	0.6
149.02368	1.2
149.05978	13.0
149.09724	0.5
151.03905	29.7
153.05478	5.8
159.04410	6.6
159.05476	0.6
166.09489	0.5
167.03403	3.5
167.07047	1.4
177.05490	8.0
195.06546	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	195.0651
Annotation	Enalin A
Peak:m/z	Relative Intensity
51.02370	1.0
51.42681	0.4
53.03946	6.4
55.01869	2.8
55.05503	0.6
65.03923	1.2
67.05500	5.7
69.03436	3.6
71.01351	4.8
71.26722	0.9
73.02908	1.8
77.03902	2.1
78.93691	0.4
79.05492	22.3
81.03418	3.5
81.07067	2.5
83.01332	0.6
83.04981	0.8
91.05479	7.0
93.07042	7.5
95.01318	0.9
95.04964	100.0
96.05293	0.5
97.02884	9.5
97.06526	1.4
102.76050	0.4
103.05465	12.9
105.03395	1.0
105.04514	2.7
105.07030	1.5
107.04954	32.0
109.02875	25.0
109.06507	2.0
117.12354	0.4
119.04962	0.5
121.02856	0.9
121.06503	12.2
123.04419	14.9
125.02357	7.6
125.05991	5.2
127.03908	7.1
131.04936	7.1
133.02861	1.8
133.06479	0.6
135.04407	7.2
145.62044	0.4
147.04440	0.7
149.02309	1.1
149.05974	11.5
149.07161	0.7
151.03900	30.0
153.05469	5.1
159.04398	6.4
167.03394	3.6
167.07066	1.2
177.05486	6.0
195.06538	5.9
203.31694	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03949	7.1
55.01870	6.9
55.05515	22.3
56.96567	17.2
57.03434	6.0
57.07067	4.6
59.04997	2.3
59.22689	1.6
64.17641	2.0
65.03933	3.8
67.05506	59.9
69.03429	5.2
69.04554	1.8
69.07069	20.3
71.01351	5.4
71.01901	4.5
71.05006	8.9
73.02910	2.1
77.03907	2.3
79.05495	58.1
80.25320	1.6
81.03425	11.9
81.07057	100.0
83.04979	19.9
83.08623	11.8
85.02911	2.7
85.06541	4.7
87.37389	1.6
89.06012	8.5
91.05474	33.3
93.07046	72.1
95.04966	39.8
95.08607	44.1
97.02888	3.7
97.06534	21.8
97.10182	1.9
99.08093	2.5
101.05978	1.7
103.05480	6.5
105.04467	2.2
105.07036	12.2
107.04961	18.0
107.08594	31.4
109.02893	13.3
109.06527	5.5
109.10168	8.0
110.07178	6.9
111.04501	1.9
111.08067	10.0
111.11729	2.2
117.07010	10.5
119.08585	5.7
121.06505	12.4
121.10162	10.6
123.04443	3.8
123.08042	2.9
125.02353	3.5
125.06001	5.7
125.09596	1.6
127.03901	3.8
129.43140	1.9
131.04927	2.9
131.08559	14.7
131.96167	1.7
133.10117	16.7
135.04424	9.3
135.08061	9.8
135.11694	41.9
137.05937	1.5
137.09612	3.0
138.06624	33.5
139.07542	2.5
145.58607	1.8
147.11682	1.5
148.97333	2.5
149.01265	2.0
149.06003	7.1
149.09637	7.4
149.13254	30.6
149.39055	1.7
149.97200	8.2
151.03925	8.1
151.11180	3.8
152.06157	3.4
153.05455	5.3
154.97835	1.6
159.11684	20.3
163.03925	6.9
165.06993	5.3
167.07004	2.6
167.08525	4.3
176.45064	1.9
177.05521	5.1
177.09123	4.3
177.12709	18.2
177.16331	3.0
180.03049	3.6
180.09358	2.0
184.09358	2.2
195.05264	2.7
195.08798	42.6
195.11765	7.3
195.13817	19.7
195.15616	3.1
195.17497	2.6
196.17081	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03949	5.1
55.01866	3.0
55.05512	18.4
56.96568	8.3
57.03447	4.7
57.07070	3.8
65.03929	2.9
67.05506	56.7
67.21747	1.1
69.03424	2.4
69.04562	0.9
69.07071	15.9
70.06638	1.1
71.01357	3.2
71.04993	8.5
71.08651	1.3
71.34576	1.9
71.95260	1.4
73.02931	1.5
79.05495	46.2
81.03419	12.4
81.07057	100.0
82.07410	1.6
83.04984	13.1
83.08611	8.3
85.02882	0.9
85.06566	5.4
87.04464	2.2
89.06035	3.7
91.05482	27.2
93.07045	64.8
94.07395	1.7
95.04970	27.4
95.08608	48.4
96.05317	1.4
97.02895	1.5
97.06531	15.0
97.10154	2.1
99.04473	1.1
99.08093	3.0
99.78587	1.0
101.06035	1.2
103.05480	3.3
105.04521	2.2
105.07041	14.7
107.04961	14.0
107.08589	25.1
109.02884	6.8
109.06520	4.7
109.10167	4.2
110.07170	5.8
111.04456	1.5
111.08110	7.4
111.08757	1.4
113.06016	1.2
113.09651	1.4
117.07028	11.9
119.08585	3.9
121.06516	7.5
121.10148	8.7
123.04400	2.4
123.08064	2.1
123.11697	1.6
125.02380	2.9
125.05970	2.0
125.09643	1.0
127.03872	1.5
131.05006	0.9
131.08575	14.2
131.96136	1.3
133.10130	17.4
135.04436	4.4
135.08052	6.7
135.11694	39.5
136.12045	1.0
137.06001	1.3
138.06633	27.0
139.03961	1.7
144.09312	1.1
148.97421	1.2
149.06013	4.6
149.09662	3.2
149.13252	21.1
149.14398	1.4
149.97208	4.2
151.03918	4.9
151.11150	1.9
152.06261	2.1
153.05490	2.8
153.09131	1.1
159.11687	18.6
159.12898	1.3
163.03891	3.1
163.07631	1.3
165.07001	4.9
167.03525	1.1
167.07132	1.0
167.08575	2.4
172.98761	1.6
177.05585	1.7
177.09138	1.0
177.12746	16.5
177.16364	1.2
180.03194	1.4
180.09331	3.3
183.08659	1.7
188.83810	0.9
195.08803	43.3
195.11760	6.3
195.13843	21.7
195.15578	1.3
195.97383	1.1
196.09106	1.5
196.17052	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.56929	1.3
53.03939	5.2
55.01858	3.9
55.05510	16.1
56.96559	11.7
57.03432	5.2
57.07075	3.4
61.84880	1.3
65.03951	2.4
67.05504	56.5
69.03429	1.9
69.07072	16.6
70.03847	4.5
71.01347	3.6
71.04989	7.3
71.27699	1.3
79.05493	44.4
81.03424	11.9
81.07056	100.0
82.07366	1.8
83.04576	1.4
83.04987	16.7
83.08614	10.3
85.06537	5.5
86.06828	1.5
89.06013	3.0
91.05480	27.3
92.03041	1.4
93.07044	68.0
95.04971	23.8
95.08607	44.9
97.02892	2.6
97.06535	16.0
99.08101	3.3
103.05471	2.0
105.04524	1.6
105.07030	11.4
107.04955	11.2
107.08594	28.1
109.02863	4.2
109.06519	5.0
109.10152	6.4
110.07168	2.5
111.04425	2.0
111.08104	8.3
113.09612	2.1
117.06993	9.6
119.08561	5.5
121.02783	1.2
121.06477	8.6
121.10120	9.8
123.04396	3.3
123.08046	2.7
125.05987	3.3
127.03891	1.7
129.07059	1.4
131.00220	2.0
131.08577	11.5
131.96112	2.6
133.10138	16.0
135.04384	3.7
135.05698	1.6
135.08076	7.7
135.11688	35.9
137.09625	1.6
138.06610	16.2
148.97353	2.5
149.05952	4.0
149.09598	3.1
149.13268	19.9
149.97203	3.7
151.03946	3.6
151.11185	2.4
152.06091	1.5
153.05602	1.6
153.09155	1.7
159.11708	19.9
163.03893	3.1
165.06918	1.9
172.98711	2.5
175.08774	1.9
177.05513	2.7
177.09073	1.9
177.12750	21.5
180.09349	2.0
195.06709	1.9
195.08806	20.0
195.10281	1.3
195.11771	4.2
195.13821	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	197.081
Annotation	1135-23-5
Peak:m/z	Relative Intensity
53.03923	2.6
55.01873	3.5
55.05515	19.5
55.05771	0.8
56.05021	1.3
56.96525	1.3
57.03412	1.8
57.07052	1.9
58.06571	0.8
59.04981	2.2
59.06111	1.4
60.04517	0.8
65.03938	5.9
67.05507	26.6
68.05038	0.7
68.99761	0.8
69.03429	7.8
69.07072	10.2
69.31877	1.2
69.32281	4.8
70.06572	2.1
70.95868	7.6
71.01360	3.8
71.04987	4.2
71.06055	0.7
72.08141	0.8
72.93796	4.7
73.02912	1.6
79.05495	26.0
80.05042	0.8
81.03423	5.9
81.07059	52.8
83.01318	2.0
83.04987	4.9
83.08619	1.1
84.04505	1.2
84.08150	1.0
85.02900	2.2
85.06516	1.8
86.06027	0.7
88.96913	3.1
89.03883	0.6
90.86359	0.7
90.94814	1.0
91.05484	44.2
93.07048	12.8
94.04189	8.5
94.06564	1.0
95.01331	2.5
95.04974	34.9
95.05976	1.4
95.08607	16.3
96.04487	1.7
96.05663	1.1
97.02891	11.4
97.06530	12.1
98.21553	1.2
99.00825	0.9
99.04458	5.3
99.05558	3.6
99.78826	0.7
101.54970	0.7
102.95686	0.6
103.05460	1.3
105.03403	1.7
105.04536	1.2
105.07034	21.7
107.04958	10.6
107.08589	10.5
108.05746	2.5
108.08119	0.8
109.02879	2.0
109.06519	100.0
109.10163	7.0
109.18202	0.8
110.06863	0.7
110.09661	1.1
111.04443	3.0
111.05582	1.2
111.08087	4.5
111.11713	0.9
111.98486	7.4
112.05116	0.6
113.06003	0.9
113.08265	8.8
113.96429	1.1
115.05477	1.5
117.07010	1.4
119.04955	11.0
119.06058	2.0
119.08601	3.2
121.06523	4.2
121.10135	1.5
123.00766	1.1
123.02747	0.9
123.04437	3.4
123.08078	13.8
123.11697	0.9
125.05994	7.5
125.09660	0.9
127.02985	1.4
127.03922	29.4
127.07533	1.1
129.99512	5.9
131.97458	1.2
132.95818	8.0
133.02882	1.8
133.06500	11.5
133.10139	8.0
135.04453	1.9
135.08095	1.9
135.11710	2.9
136.11208	3.1
137.05983	52.5
137.08156	3.6
137.09595	6.0
138.05472	1.0
138.06577	1.5
139.07558	0.9
141.01854	0.7
141.05493	1.5
141.07039	1.0
147.04399	4.4
149.05981	1.0
150.96895	28.8
151.03889	6.6
151.07545	22.6
151.11142	3.0
152.08066	1.0
152.10709	1.8
153.05461	1.6
154.12238	1.6
155.03490	0.7
155.07088	2.3
155.09315	5.3
155.97424	8.3
161.06006	4.3
161.09648	3.3
165.05493	4.3
168.98056	1.9
169.04968	0.8
169.08667	1.4
169.10112	1.0
173.03076	0.6
173.98485	17.0
174.99022	0.7
177.05554	1.9
179.07060	17.8
179.09262	2.0
179.10652	4.8
179.11949	11.4
180.10165	3.2
183.02950	1.6
183.06601	1.5
195.06604	1.9
197.06158	2.1
197.08154	18.2
197.10030	2.3
197.12950	37.1
198.18633	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03948	7.9
55.01864	7.0
55.05509	5.4
56.96577	1.9
57.03434	2.2
65.03943	3.2
67.05513	10.1
69.03436	3.7
70.29186	5.5
70.95872	4.6
71.05009	8.1
72.93778	6.1
73.02921	16.9
79.05493	30.5
81.03413	2.9
81.07055	24.4
83.01337	1.6
83.04980	3.5
83.08642	2.1
85.02908	5.6
91.05476	12.5
93.07080	7.8
95.04976	30.3
95.08624	14.5
97.02899	11.9
98.21470	2.2
99.04450	7.2
103.05441	2.4
105.03416	2.8
105.04601	1.9
105.07024	21.8
107.04963	7.1
107.08617	4.6
109.02882	3.4
109.06527	28.9
109.10152	2.5
111.04458	4.9
111.08086	62.5
111.98480	5.5
113.08245	8.9
121.06503	5.3
123.04432	7.2
123.08096	8.7
123.08890	1.5
125.05994	14.4
127.03922	100.0
129.99551	4.6
132.95833	6.7
133.06476	13.4
135.04384	2.4
137.05966	12.0
137.08226	4.6
141.05482	3.4
149.06023	2.9
150.96884	15.5
151.03914	78.0
151.04997	5.5
151.07538	18.5
153.05452	4.5
155.07025	4.7
155.09314	5.3
155.97412	5.4
161.05974	5.3
173.98528	10.1
179.07042	47.7
182.19878	1.8
197.08148	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	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03952	2.8
55.01868	1.5
55.05499	1.6
57.03414	0.4
57.16201	0.3
65.03942	0.4
67.05509	4.0
69.03421	1.8
69.74468	2.5
71.04667	0.5
71.04996	6.0
79.05492	6.0
79.41856	0.4
81.01826	0.4
81.03397	1.0
81.07057	6.9
83.04977	1.6
85.02915	3.1
91.05479	3.0
93.07036	2.4
95.04971	12.4
95.08604	6.3
97.02895	11.1
97.03531	0.5
99.04457	4.8
103.05463	0.7
104.45179	0.4
105.07031	6.3
107.04947	1.7
107.08596	1.7
109.02885	2.1
109.06518	7.3
111.04427	1.4
111.08084	24.2
121.06490	1.1
121.82948	0.4
123.04415	3.9
123.08066	5.2
124.68835	0.4
125.05985	1.6
127.03917	100.0
133.06499	5.9
137.06036	0.9
151.03899	6.8
151.07529	6.9
153.05482	2.4
161.06007	2.1
169.05042	0.6
169.08629	0.7
179.07037	11.2
197.08109	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	197.0808
Annotation	4-Ethoxy-3-methoxybenzoic acid
Peak:m/z	Relative Intensity
53.03947	2.4
55.01873	1.9
55.05518	2.4
61.99137	0.4
65.03952	0.3
67.01900	0.3
67.05512	5.4
69.03431	2.1
69.59300	1.5
69.59715	0.8
70.95869	0.4
71.01344	0.4
71.04996	6.8
74.05294	0.3
79.05495	7.5
81.03425	1.8
81.07054	7.4
83.01302	0.6
83.04987	2.2
85.02904	4.3
91.05487	5.2
93.07045	4.3
95.04971	14.4
95.08611	7.4
97.02895	14.2
97.06545	0.7
99.04456	6.4
103.05469	1.2
105.04479	0.5
105.07034	10.3
107.04958	2.4
107.08595	8.4
108.05762	0.6
109.02877	3.1
109.06519	7.1
109.07201	0.7
109.10151	0.4
111.04453	1.8
111.08085	24.3
113.08284	0.4
113.13436	0.3
115.05476	0.5
119.08589	0.9
121.06511	1.1
121.10133	1.5
123.04439	3.3
123.08066	4.7
125.05981	2.7
127.03919	100.0
128.04251	1.2
129.88011	0.3
132.95866	0.4
133.06506	5.1
133.10136	4.9
135.04413	0.6
137.05969	1.5
149.06030	0.5
149.09561	0.6
150.96867	1.1
151.03938	5.3
151.07550	8.8
151.11148	1.1
153.05484	1.7
155.07016	0.4
161.06013	2.1
161.09636	1.2
167.10661	2.1
169.04985	1.0
169.08594	0.7
173.98535	0.8
179.07042	11.2
179.10603	2.7
197.08104	11.3
197.09906	0.8
197.11728	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03924	2.3
55.01846	1.3
55.05508	4.4
57.03429	1.4
57.07057	2.4
59.04993	2.0
65.03925	1.1
67.05511	6.6
69.03407	3.5
69.07043	3.5
69.43679	6.0
70.95852	5.0
71.04971	2.4
71.06107	1.0
72.93761	2.2
79.05491	8.9
81.03398	2.3
81.07045	12.6
83.04952	2.6
83.08593	1.8
85.02912	1.0
85.06536	2.3
88.96922	1.0
91.05471	19.2
93.07043	23.1
94.04212	0.9
95.01297	2.6
95.04963	11.3
95.08607	6.5
97.02879	2.3
97.06511	1.8
97.24439	0.7
99.04432	0.9
105.03377	1.8
105.07027	32.1
107.04958	2.0
107.08587	63.7
109.06507	8.4
109.10148	7.8
111.04436	1.0
111.08070	1.6
111.98457	2.9
113.08217	4.8
115.05437	0.9
117.07005	1.0
119.01926	1.6
119.04942	2.0
119.05996	1.1
119.08563	10.8
121.06506	5.6
121.10112	1.8
123.04439	4.3
123.08033	2.9
123.11709	4.1
127.03913	5.6
127.13714	1.1
128.06256	0.8
129.99483	3.0
131.01865	0.9
131.08522	2.7
132.95825	6.0
133.10123	66.5
135.08041	2.0
135.11684	51.5
137.05959	7.9
137.09631	6.3
141.05501	1.3
141.06966	1.8
143.01872	0.9
143.08583	1.4
146.07236	1.9
150.96895	14.5
151.03854	1.2
151.07443	1.2
151.11165	6.6
155.08295	1.1
155.09383	1.7
155.97386	4.1
161.02943	1.6
161.09616	33.7
165.05435	1.1
169.10100	1.5
173.98492	9.2
179.10658	100.0
182.10979	1.1
183.02856	1.6
185.02776	0.9
191.14281	1.3
197.05933	2.6
197.11720	65.0
198.18512	0.9
208.73436	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	197.1172
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
51.40620	0.9
53.03930	2.9
55.01869	6.1
55.05277	1.2
55.05508	13.1
56.96536	0.9
57.03417	1.3
57.07072	1.5
59.04980	1.3
60.11301	0.8
65.03944	1.2
67.05505	6.9
69.02675	0.8
69.03429	4.0
69.07054	3.0
70.06603	1.1
70.95869	6.0
71.01337	1.6
71.04977	2.9
71.06104	1.5
71.48838	1.1
72.93776	3.5
73.02901	1.0
79.05500	8.9
81.07052	21.4
83.04979	3.1
83.08540	0.8
84.07005	0.8
85.02905	1.6
85.06560	1.5
88.96906	1.3
90.94806	1.6
91.04921	1.1
91.05482	17.8
93.06506	1.2
93.07044	13.0
95.01308	0.9
95.04971	9.4
95.05997	1.1
95.08607	6.9
96.05602	1.4
97.02893	1.9
97.06525	9.5
98.97565	1.0
99.04453	9.0
100.20402	0.7
100.37020	1.0
101.95066	0.9
103.05464	1.1
105.03375	2.3
105.07030	23.8
106.07323	0.9
107.04936	2.3
107.08591	100.0
109.01929	0.7
109.02796	1.5
109.06519	19.9
109.10145	11.6
111.04404	1.9
111.08060	5.1
111.98463	4.0
113.05984	1.1
113.07571	0.8
113.08231	5.5
115.05422	0.9
117.06995	1.4
119.04924	2.2
119.06062	1.3
119.08585	9.1
121.06506	7.5
121.10141	1.8
123.04414	2.5
123.08015	4.5
123.11709	2.8
125.05993	56.5
127.02991	1.9
127.03912	34.2
127.04841	2.0
128.06233	1.7
128.87309	0.9
129.99522	4.0
131.08580	1.8
132.95834	6.5
133.06476	2.9
133.10126	68.9
135.04391	1.8
135.08000	1.9
135.11690	14.9
137.05978	71.1
137.09604	14.1
139.07455	2.1
143.08553	4.8
145.05003	1.8
146.07208	1.4
147.04373	1.2
150.96884	15.0
151.03964	2.0
151.07558	5.6
151.11174	5.5
153.05418	1.7
153.09149	0.8
155.05916	1.2
155.07028	1.2
155.09285	2.5
155.97441	5.4
161.09615	25.8
165.05457	2.9
166.65863	0.9
167.08487	0.8
167.10667	1.2
169.08585	1.0
173.98499	10.1
177.00691	1.1
179.07040	3.0
179.09340	1.6
179.10669	36.3
183.02933	1.2
187.21153	0.8
193.90355	0.9
197.08125	4.3
197.11723	51.7
198.18546	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03940	2.0
55.01869	2.7
55.05512	7.7
57.03423	1.7
57.07068	1.8
59.04986	2.3
60.79023	0.8
65.03925	1.9
67.05506	8.9
69.03429	3.0
69.07048	1.7
70.64957	1.7
70.65298	1.2
70.95860	2.0
71.04985	3.0
72.93784	1.2
77.03915	0.9
79.05497	10.5
81.03416	1.6
81.07058	13.6
83.04968	1.3
85.02873	1.0
85.06503	0.9
91.05483	21.4
93.07044	23.5
95.04965	14.8
95.08595	8.0
97.02889	6.1
97.06525	3.4
99.04431	4.1
105.07027	31.1
107.04949	2.1
107.08594	64.2
109.02854	1.0
109.06506	11.3
109.10133	6.4
111.04440	1.1
111.08087	9.6
111.98466	2.3
113.06042	1.2
113.08247	2.1
115.05415	0.9
117.07001	1.9
119.04947	3.6
119.08576	8.2
121.06516	5.9
123.04444	5.0
123.08038	3.7
123.11707	2.8
125.05988	20.2
125.09650	0.9
127.03917	41.4
129.99541	2.0
131.08539	3.9
132.95842	2.7
133.06471	3.4
133.10135	67.4
134.81905	0.8
135.08064	2.4
135.11693	51.9
137.05981	24.2
137.09619	5.2
139.07483	1.0
141.07127	0.8
143.08531	2.5
146.07266	1.8
147.04402	5.0
149.06145	0.8
150.96892	7.2
151.03905	2.8
151.07533	3.7
151.11154	5.0
153.05469	1.3
155.09294	1.2
155.97403	2.8
161.05931	1.2
161.09619	34.3
165.05502	0.9
169.08606	1.3
173.98450	4.2
179.07254	4.9
179.10672	100.0
180.10872	1.0
182.15294	0.8
197.08078	3.9
197.11732	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	197.1173
Annotation	Phenol A
Peak:m/z	Relative Intensity
53.03931	1.4
55.01862	5.2
55.05514	24.1
57.03420	0.9
65.11736	0.8
67.05495	3.9
69.03426	4.1
69.07064	0.7
70.95856	5.5
71.01331	1.2
71.04975	2.9
71.48878	1.4
72.93773	3.6
77.08522	0.7
79.05506	7.2
81.03416	1.9
81.07055	19.9
83.04979	1.7
83.08588	0.7
85.02917	1.1
88.96887	1.4
90.94822	1.3
91.05494	5.5
93.07050	5.1
95.04955	6.4
95.08601	4.0
97.02879	1.9
97.06532	11.4
99.04461	13.0
105.03386	2.8
105.07038	8.3
107.04935	1.3
107.08594	5.2
109.02879	1.8
109.06516	12.0
109.10136	2.6
111.04453	2.1
111.08078	5.3
111.98492	5.0
113.06015	0.8
113.08231	3.2
119.08591	1.4
121.06496	1.9
123.04387	1.0
123.08050	2.6
123.11697	1.4
125.05995	100.0
127.03918	51.4
128.06145	1.4
129.99515	3.4
131.08615	1.5
132.95831	7.5
133.06490	2.1
133.10117	9.6
135.11690	3.3
137.05980	87.0
137.09598	2.3
143.08537	3.8
145.04956	2.9
147.05623	1.2
148.05807	1.0
150.96899	14.8
151.03879	1.8
151.07533	2.7
151.11188	2.8
155.09238	2.2
155.97423	4.8
161.09615	9.2
168.98024	1.2
169.10091	1.1
173.98492	13.0
179.07018	2.3
179.09198	0.9
179.10681	12.2
183.02965	0.9
196.59322	0.8
197.08041	3.7
197.11711	10.2
197.13293	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	197.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15170	0.6
52.66410	0.5
53.03938	2.1
54.51704	0.5
55.01866	5.6
55.05510	22.6
56.96569	0.7
57.03427	1.0
57.07091	0.6
67.05512	2.7
69.03421	4.2
69.07074	1.1
69.62546	4.0
70.95866	3.1
71.01350	1.2
71.04981	1.4
71.08628	0.7
72.93786	1.9
79.05482	5.3
81.03392	1.0
81.07056	20.7
83.04974	1.7
85.02894	0.6
88.96910	0.7
91.05466	4.1
93.07034	3.5
95.01340	0.7
95.04961	3.9
95.08604	2.5
97.02913	1.8
97.06530	9.5
99.03860	1.1
99.04453	11.2
99.08022	0.6
105.03371	1.0
105.07029	6.9
107.04957	1.7
107.08581	4.8
108.89955	0.5
109.02859	0.6
109.06525	11.7
109.10152	2.0
111.04427	1.8
111.08075	2.4
111.98486	3.3
113.08231	2.4
119.08606	1.0
121.06514	1.0
123.04457	0.7
123.08071	2.1
123.11669	1.6
125.05988	100.0
127.03912	49.2
128.06192	1.5
129.99495	1.7
131.08670	0.6
132.95839	3.7
133.06514	0.7
133.10115	8.5
135.08020	0.5
135.11687	3.0
137.05974	84.5
137.09589	2.0
143.08554	2.5
145.04987	1.8
148.05861	0.6
150.96893	10.3
151.03908	1.6
151.07497	2.6
151.11165	2.4
155.09344	1.0
155.97440	3.0
161.09613	10.3
168.98012	0.9
173.98482	6.6
179.07027	1.6
179.09178	0.7
179.10674	13.3
181.05385	0.7
182.57889	0.7
196.59320	0.5
197.08072	1.8
197.09926	1.2
197.11710	9.5
197.13452	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	199.0965
Annotation	Gardendiol
Peak:m/z	Relative Intensity
53.03944	2.2
55.01873	9.2
55.05510	9.0
56.96552	3.4
57.03420	3.4
57.07073	1.2
63.58472	0.9
65.03915	2.3
67.05503	15.3
69.03429	19.8
69.07067	31.0
70.24310	4.1
71.04983	2.8
74.09708	4.6
79.05492	32.3
81.07057	8.6
83.01352	5.1
83.04982	15.8
83.08617	2.7
85.02900	2.2
86.09705	1.6
91.05478	27.0
93.07032	11.6
94.29542	1.0
95.04964	9.7
95.08599	3.5
97.02888	8.2
97.05943	1.8
97.06531	29.8
97.10153	2.2
98.97570	6.1
99.04432	3.3
100.07599	2.0
104.86576	1.1
105.07028	12.9
107.04937	3.5
107.08593	85.5
109.06522	10.0
109.10156	23.2
111.04436	11.2
111.08070	3.6
115.05466	10.5
116.97198	2.5
116.98603	4.4
117.07023	13.3
119.06089	3.2
121.06499	7.8
123.04411	3.6
123.08074	3.8
125.05983	26.7
125.09631	8.6
131.99554	1.2
134.99638	2.7
135.08049	100.0
137.09601	2.7
139.07520	4.5
140.12689	1.0
143.07031	16.6
149.05959	2.4
152.96985	1.1
153.09105	26.2
161.01151	1.0
163.07542	51.9
167.07010	14.5
168.90065	1.1
175.98502	2.8
181.08609	12.8
182.08015	1.2
187.55965	3.2
196.56569	1.1
199.09627	1.4
199.18913	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	199.0964
Annotation	Gardendiol
Peak:m/z	Relative Intensity
53.03949	7.7
53.51979	1.7
55.01876	14.4
55.05515	22.2
56.96559	7.0
57.03429	4.7
57.07071	4.9
59.06118	2.5
65.03938	6.2
67.05508	33.6
69.03436	22.2
69.07068	19.9
70.06577	2.3
70.07394	2.3
71.01359	4.1
71.04981	8.8
71.08690	1.7
71.48478	2.5
71.48863	1.9
72.04505	4.3
73.43763	1.6
74.09721	21.1
79.05495	49.7
81.03419	5.7
81.07056	23.7
83.01343	7.2
83.04984	18.9
83.08604	10.3
85.02884	5.9
85.06548	4.3
86.09724	8.9
91.05481	59.4
93.07046	51.6
94.24312	1.7
95.04971	22.9
95.08620	15.7
97.02892	19.8
97.05926	2.9
97.06528	24.8
98.97569	13.4
98.98470	9.9
99.04469	5.6
100.07608	12.3
102.04753	1.7
103.05455	3.5
105.04552	3.2
105.07021	23.4
107.04966	18.8
107.08590	91.9
109.02887	9.5
109.06526	18.9
109.07619	2.5
109.10159	24.8
111.04436	27.4
111.08075	29.8
113.06026	2.2
113.10699	1.9
115.05457	19.6
116.97246	11.5
116.98598	14.4
117.07028	34.6
119.06090	3.4
119.08588	6.0
121.06522	16.7
121.10154	5.4
123.04460	5.2
123.08083	9.9
124.07612	2.3
125.05999	11.2
125.09670	10.0
127.01557	2.7
127.03927	38.2
128.06250	2.8
129.06984	1.9
131.99570	1.8
133.06473	4.6
134.99657	15.0
135.04405	5.1
135.08055	100.0
135.11668	2.1
137.05988	8.3
137.09642	6.5
139.03883	19.3
139.07542	17.0
139.11154	1.9
142.07719	1.9
143.07097	2.0
143.08530	6.1
145.06506	6.4
149.06000	2.8
151.07555	4.6
152.96902	4.6
153.00719	4.6
153.05579	2.1
153.09088	26.5
155.07091	2.3
157.05005	3.0
157.06493	5.3
157.10066	2.9
161.02937	3.2
163.07553	57.8
163.14781	2.4
171.11681	5.8
175.98607	6.8
181.08647	20.8
181.12276	3.1
199.03978	5.9
199.07602	7.0
199.09602	6.2
199.11284	6.1
199.14781	5.9
199.18890	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	200.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16154	2.4
53.03936	3.9
55.01850	8.2
55.05504	11.4
56.05035	13.4
56.96315	3.2
56.96567	44.9
57.03440	42.4
58.06578	2.6
60.04502	4.9
61.02915	6.6
62.79170	2.1
65.03908	2.5
67.05494	9.1
68.05005	7.5
69.03438	24.4
69.07067	29.3
69.58601	16.7
70.02956	2.5
70.06257	2.7
70.06598	27.1
71.04979	8.8
72.04524	2.7
72.08143	7.7
73.02909	15.6
74.06059	2.3
79.05499	15.4
81.03411	7.1
81.07064	30.7
82.06588	19.0
83.04983	4.5
83.06075	4.2
84.04012	2.0
84.04504	44.1
84.08147	30.2
84.96017	3.9
85.02913	24.3
86.06072	73.6
86.07204	3.1
86.09708	22.0
87.04473	100.0
90.01543	2.8
90.38049	1.9
91.05463	9.7
93.07034	4.8
94.06548	6.2
95.04974	3.6
95.06042	2.9
95.08578	6.2
96.08134	10.6
97.02886	19.5
97.06532	64.5
97.07534	2.4
98.03233	2.5
98.06053	7.8
98.09669	9.1
98.97584	73.5
99.04437	5.4
99.08092	30.1
100.02525	2.3
100.07610	5.6
102.05553	15.5
104.01309	2.3
104.07095	9.3
108.08110	5.6
109.02870	4.9
109.06548	2.4
110.01259	4.8
110.06050	4.5
110.07169	2.5
110.09663	5.7
110.97581	5.6
111.04411	5.6
112.07612	12.6
114.06667	23.7
114.09165	47.4
116.98622	61.9
117.16421	2.6
118.03514	3.7
118.96738	2.8
119.01900	29.8
119.04921	6.1
122.05995	4.1
124.07574	3.5
125.07026	2.5
126.09149	9.4
127.03953	5.3
128.02298	5.7
128.07065	15.4
128.98590	8.3
129.10248	5.7
131.00223	2.6
131.01889	15.0
131.04875	3.2
134.99673	52.9
136.04567	2.9
136.07527	7.7
137.02930	14.3
137.05963	13.3
137.06946	3.7
138.06393	2.8
138.09111	14.4
140.02374	2.9
140.03404	7.0
140.07018	4.6
142.08649	11.5
146.02304	2.9
146.99695	10.4
147.04391	7.7
149.02910	11.5
152.02255	4.1
153.00676	12.6
153.96761	2.8
154.03487	6.9
154.08633	20.6
154.12262	11.9
155.02875	5.0
156.10208	16.2
157.11014	3.5
158.01260	2.5
158.04453	5.1
158.08128	5.1
158.99606	8.0
161.01308	5.4
161.02931	5.7
164.07040	3.1
170.99745	3.7
172.04599	11.9
172.09683	5.3
173.02959	2.9
176.02319	4.0
177.00684	13.9
177.02263	4.6
177.98096	3.3
179.02306	2.5
182.03096	4.2
182.04568	4.4
182.08090	9.3
182.09431	4.8
182.11768	7.7
189.00771	5.4
189.04156	3.4
190.05627	4.9
191.03833	4.4
200.04008	9.9
200.10342	11.5
200.12807	89.0
200.18855	3.6
201.02437	9.0
211.02740	4.2
215.02156	3.9
218.05092	7.1
219.01596	4.5
219.03476	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	200.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.3
55.05508	15.3
56.05028	9.7
56.96311	2.3
56.96567	30.5
57.03436	35.7
57.07072	2.5
58.06594	2.6
59.06116	2.2
60.04526	2.1
61.02916	6.8
67.05509	9.7
68.05014	5.8
69.03438	22.1
69.07067	27.7
70.06276	2.5
70.06597	24.3
71.04971	4.8
71.11983	4.7
71.95247	2.5
72.08141	8.6
73.02903	10.7
74.06076	1.9
79.05499	16.4
80.04955	3.2
81.03413	4.7
81.07063	30.1
82.06581	17.4
82.51657	2.0
83.00779	2.0
83.06112	2.6
83.06932	2.0
83.96665	2.5
84.04504	39.5
84.08144	25.9
84.96013	3.0
85.02903	18.1
86.05546	2.1
86.06071	64.9
86.09703	18.2
87.04469	100.0
91.05473	8.1
92.01298	1.8
92.05792	2.3
93.07035	7.7
94.06539	3.6
95.08589	5.3
96.08117	6.8
97.02916	14.5
97.06528	73.8
98.06042	3.8
98.09698	12.3
98.97584	54.2
99.05579	2.8
99.08094	27.4
100.07607	4.0
101.00860	4.7
102.05536	14.0
104.07085	12.8
108.08099	2.6
109.02860	2.6
109.06513	3.2
110.01250	2.4
110.06041	5.4
110.09631	6.8
110.97566	3.7
111.04409	4.8
112.04763	2.2
112.07599	9.5
114.05487	2.3
114.06651	22.4
114.09171	44.1
116.00173	2.4
116.10725	3.6
116.24043	2.1
116.97280	3.1
116.98618	57.0
117.02036	2.7
118.03550	3.7
118.96773	2.7
119.01882	24.3
119.04916	4.4
122.05987	4.3
124.07561	5.0
125.01741	2.2
126.09144	9.3
127.03915	3.4
128.02269	5.5
128.07083	14.5
128.98672	9.3
129.10226	3.6
130.09644	2.0
131.01894	9.5
134.98669	3.7
134.99657	53.6
136.07553	6.1
136.11224	2.7
137.02960	13.9
137.05977	11.8
138.09142	12.6
139.03879	2.7
140.03407	5.3
140.07027	6.8
142.08649	10.0
146.02255	2.8
146.99651	11.9
147.04437	4.7
148.04749	2.8
149.02960	7.3
152.02354	2.0
153.00713	11.9
154.03586	3.0
154.08659	16.0
154.09750	3.1
154.12279	15.5
155.02831	2.5
156.10197	15.0
157.10924	3.5
158.01170	2.5
158.04466	6.8
158.08131	3.9
158.99588	4.0
161.01202	2.6
161.02904	5.5
163.99272	1.9
164.03369	4.2
164.10713	4.1
165.00690	4.9
167.04376	3.3
170.03316	2.7
170.99760	3.5
172.04524	6.3
172.09668	6.9
172.13231	3.0
173.02959	2.2
177.00713	10.1
177.02203	3.0
182.04558	2.7
182.08084	8.1
182.09425	4.5
182.11737	7.0
189.00658	5.5
191.04001	3.9
195.03439	2.3
200.04074	6.6
200.10345	12.0
200.12816	85.6
200.19029	4.6
201.00688	3.7
201.02486	4.1
218.05159	5.8
219.01675	2.9
219.03506	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	201.1121
Annotation	Alyscialactone
Peak:m/z	Relative Intensity
50.00134	0.9
53.03938	3.5
55.01873	11.0
55.05508	6.9
56.05029	1.0
56.96566	6.3
57.03428	2.1
59.05003	1.0
59.06130	1.3
67.05505	19.0
69.03409	2.0
69.07053	3.9
70.00745	4.1
70.06589	1.2
71.04988	1.6
72.08143	1.2
73.02917	46.8
74.62988	0.9
79.05495	24.2
80.20823	0.9
81.03412	1.8
81.07056	17.5
81.82755	1.0
83.04975	2.2
83.08596	0.9
84.08203	1.2
85.02897	2.8
91.05479	25.3
93.07044	100.0
94.07366	1.2
94.79997	1.1
95.04977	8.1
95.08610	23.8
97.06492	1.1
98.21498	1.0
98.97585	9.4
99.05595	1.2
99.97867	1.0
103.05460	1.0
105.07034	12.4
107.04943	0.9
107.08590	35.6
109.02869	1.4
109.06516	9.2
109.10155	20.4
111.04436	1.2
111.08081	31.4
115.05467	1.1
116.98620	10.8
117.07005	7.6
118.96748	3.7
119.01898	1.9
119.08582	49.3
121.10144	67.2
122.10500	1.2
123.04399	1.6
123.08049	6.1
125.09679	2.2
128.02232	1.1
128.98607	1.3
129.06976	1.1
133.99059	1.5
134.01289	1.3
134.99648	7.3
135.08054	60.7
136.08466	1.1
137.08676	1.4
137.09613	12.7
141.01863	1.1
141.06581	1.3
146.99657	2.3
147.05499	1.7
147.08040	16.9
153.00703	1.1
153.09105	93.6
154.09419	1.5
154.96471	1.3
158.99565	1.1
164.05278	1.0
165.09113	21.6
172.06351	0.8
173.05894	1.2
177.00710	3.6
177.98056	3.0
183.10165	6.4
184.10892	1.2
200.59641	1.1
201.05348	1.7
201.09422	1.7
201.11217	15.4
201.12895	1.7
202.06950	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	201.1121
Annotation	Alyscialactone
Peak:m/z	Relative Intensity
53.03937	8.8
55.01860	12.2
55.05515	15.8
56.05019	3.4
56.96553	12.0
57.03423	4.3
57.07059	3.5
65.03924	6.4
67.05505	68.9
69.03418	11.9
69.07060	11.6
69.73163	14.9
70.06573	10.1
71.04987	22.2
73.02898	5.3
79.05086	4.4
79.05494	52.2
81.03417	13.4
81.07055	34.1
81.80801	2.3
83.04981	14.3
84.08135	3.2
85.02905	6.0
85.06524	14.0
86.09707	5.1
91.05486	79.1
93.07045	100.0
95.04401	4.2
95.04969	60.1
95.08608	31.1
97.02886	5.5
97.06526	11.2
98.97574	21.7
99.05534	2.4
100.10905	2.7
103.05485	3.6
105.04492	3.8
105.07030	21.8
107.04955	4.0
107.08589	26.4
107.33967	2.9
109.06521	18.5
109.10139	17.4
111.04446	17.5
111.08097	17.6
113.05984	9.7
113.51313	2.5
115.05439	14.6
116.98645	18.8
117.07018	19.3
118.96756	4.1
119.04923	4.0
119.08583	47.1
121.06483	9.3
121.10194	6.0
122.83810	2.5
123.04432	24.9
123.08066	15.3
125.09562	3.4
128.02356	2.6
128.98582	5.4
129.06934	3.7
130.04121	3.9
131.08542	3.7
134.99640	13.7
135.08055	11.7
137.05948	7.0
137.09613	39.6
139.07553	4.3
141.05463	59.7
141.06558	2.8
141.09161	2.8
145.00621	2.8
145.06483	13.6
145.10127	4.8
146.99622	7.1
147.05559	16.7
147.08046	10.7
153.09117	11.9
155.05005	2.8
155.07095	3.3
155.10719	5.7
158.03627	12.1
158.99709	5.1
162.03171	3.6
165.09105	26.3
173.05983	24.9
177.00734	8.9
177.98146	4.8
183.10181	40.2
186.03065	3.6
189.06073	3.3
192.59836	3.2
201.05444	27.9
201.09030	6.4
201.10904	3.6
201.12761	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	201.1121
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
50.18018	0.5
55.01858	1.0
55.05508	2.8
56.96559	1.3
57.03440	0.8
57.07075	0.5
63.44865	0.5
63.98734	0.5
67.05505	11.0
69.03419	0.7
69.07065	1.4
71.04984	1.3
71.40662	0.5
71.48939	0.6
76.25461	0.4
79.05493	2.2
81.06610	0.6
81.07061	10.3
82.06557	0.5
83.04974	0.7
83.08559	0.6
83.63581	0.5
85.02901	0.5
85.06516	0.9
86.09710	0.7
91.05485	2.8
93.07040	2.1
95.04967	2.1
95.08611	3.7
97.02891	0.8
97.06528	0.9
99.08078	1.7
102.04696	1.0
102.20486	0.5
105.07043	1.4
107.08597	1.4
109.06520	1.2
109.10165	29.8
109.36541	0.4
111.04456	2.0
115.05460	4.4
116.57401	0.5
116.98632	0.6
117.06990	2.2
119.08582	2.3
120.04472	1.4
121.10150	1.7
123.04406	0.7
125.06013	3.0
128.06221	0.9
129.04529	0.7
129.07053	1.4
130.02861	0.5
130.04150	2.2
131.08601	1.4
132.04491	0.9
137.08559	1.0
137.09618	18.7
139.53058	0.7
141.06990	1.9
143.04874	0.6
145.03996	0.6
145.06494	4.5
145.10104	2.6
147.05557	1.8
147.08060	1.9
155.08612	1.3
155.10652	4.0
156.08098	1.1
158.03624	6.2
158.07295	1.6
158.09763	0.7
159.08044	0.8
159.11717	2.1
160.06340	12.6
160.07570	0.7
162.03136	1.1
165.09132	7.6
169.06528	0.8
170.07335	1.1
173.05980	9.8
173.13304	0.8
177.06569	1.1
183.10242	0.6
184.07622	1.5
185.07149	1.8
186.03157	1.9
186.06557	1.0
186.07935	1.9
189.04155	0.5
192.59901	1.1
201.05492	15.9
201.10272	100.0
201.16455	1.7
202.05710	0.8
202.10619	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	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.05513	3.4
56.96558	4.6
57.07053	2.0
59.93096	0.9
63.39639	0.6
67.05507	7.5
68.05824	1.0
69.07076	4.5
71.08643	0.6
71.50044	0.6
79.05489	3.8
81.07058	8.3
82.07392	1.0
83.90641	0.5
91.05482	8.9
93.07036	6.6
95.04958	1.3
95.08608	5.6
96.08903	0.8
103.05444	1.1
105.07037	9.2
107.04948	1.9
107.08579	5.0
109.10151	1.0
115.05437	3.6
116.06218	0.9
117.07021	9.6
118.96761	7.6
119.08587	6.7
121.06519	0.9
121.10156	2.8
123.03853	0.8
128.06229	15.1
128.57303	1.2
129.07028	5.6
130.07808	3.5
130.54854	0.8
131.04915	1.3
131.07629	1.3
131.08566	21.3
133.06453	2.3
133.10115	4.8
133.99043	2.2
141.06976	5.6
142.07797	2.7
142.56657	0.8
143.08563	7.2
144.05666	4.6
144.09294	1.8
145.05322	0.7
145.06488	15.7
145.10126	22.0
146.07236	2.4
147.08035	3.3
147.98714	0.5
150.95757	1.3
151.06964	2.3
151.57178	4.0
153.06969	5.3
154.07716	2.5
154.96463	2.0
155.06044	0.8
155.08557	5.0
156.09218	0.7
157.06503	3.0
157.10126	2.6
158.07262	3.5
158.10928	3.8
158.57884	1.5
159.08055	35.1
159.11696	18.8
160.08823	3.6
161.09619	5.4
163.07893	0.9
167.08473	1.3
168.09338	4.5
169.07637	1.6
171.07918	3.0
171.09332	1.1
171.11644	1.0
172.08815	7.6
172.97586	1.1
173.09630	28.5
173.13232	6.3
174.09953	0.7
177.98035	5.9
178.09323	0.7
179.09897	0.9
183.11629	2.8
186.10405	5.8
186.13962	1.0
186.61052	2.4
189.04242	0.8
190.60654	0.9
199.61194	1.0
200.99658	0.8
201.12741	100.0
201.16389	23.9
201.20288	1.4
202.13092	1.3
203.05806	0.7
217.07481	1.5
217.27187	0.6
218.07796	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	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	5.3
70.28727	3.5
70.54230	9.4
71.93713	3.5
77.81732	4.0
81.25124	3.3
98.97587	8.5
100.02495	6.3
101.00880	15.2
116.98615	13.2
118.03528	11.3
119.01926	100.0
134.99689	8.9
137.02948	49.6
138.02994	4.5
142.03491	41.1
156.97571	3.8
160.04568	25.0
161.02940	12.3
161.04361	3.1
178.01068	4.6
178.05585	6.2
179.00734	8.5
179.04034	30.7
179.98106	4.2
188.96002	4.2
196.98001	3.8
197.99200	12.5
199.50049	6.3
200.00275	3.9
220.02040	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	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03939	2.1
55.05508	8.6
56.96561	1.6
57.07072	1.7
60.04512	2.6
65.03944	1.4
67.05505	18.8
68.05017	1.5
69.03429	1.2
69.07068	10.4
70.02065	2.7
70.02483	1.9
75.34541	0.9
78.27648	0.8
79.03117	0.9
79.05502	10.1
81.07056	41.3
83.04957	1.0
83.08594	2.0
84.04494	3.9
91.05487	13.2
93.06506	1.3
93.07048	19.5
95.04951	1.0
95.08609	67.6
96.04487	2.2
96.08929	1.1
97.02916	1.8
97.10139	1.4
98.21487	1.0
105.07032	44.5
107.08597	34.7
107.09328	1.7
108.61967	0.8
109.06474	0.9
109.10159	41.8
110.10489	1.0
112.89792	0.9
114.05504	2.2
117.07016	1.4
118.03525	1.0
118.87540	0.9
119.08583	41.9
120.08889	0.8
121.10145	16.2
123.11708	7.5
126.05516	3.4
128.06198	1.2
129.06990	1.7
131.08566	2.8
133.10133	31.4
135.11736	4.6
142.07820	1.5
143.08595	1.6
144.06548	0.8
145.10110	4.8
146.10915	1.6
147.05638	1.1
147.08055	1.1
147.11691	58.5
148.12460	1.1
157.10098	2.1
159.11742	3.5
160.08794	0.9
160.12454	1.6
161.09592	1.3
161.12018	1.5
161.13252	17.4
174.14075	1.2
175.07527	2.6
175.11206	1.6
175.14798	7.4
185.09618	1.5
197.02850	0.9
203.06927	2.2
203.10605	5.8
203.14299	4.3
203.17958	100.0
204.08646	2.0
204.13922	1.7
204.18279	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	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05511	12.2
57.07074	1.5
58.54089	1.4
60.04514	4.8
67.05513	17.4
68.05015	2.1
69.07059	16.4
69.84908	6.9
72.83639	2.0
79.05487	11.7
81.07050	23.3
83.08631	3.8
84.04503	8.8
91.05474	19.6
93.07035	17.0
93.32486	1.5
95.04986	2.0
95.08604	50.9
96.04469	4.5
97.02885	5.7
97.10166	3.8
98.06153	1.3
98.21504	3.3
102.76973	1.4
104.42361	1.3
105.07030	63.1
107.07904	1.8
107.08599	28.3
109.10144	36.0
112.02366	1.7
113.48235	1.6
114.05505	5.6
115.05313	2.0
117.07029	4.0
119.08584	56.6
121.10146	16.8
123.11695	7.3
126.05491	10.7
129.07001	3.4
131.08548	5.6
133.10126	58.7
135.11691	5.3
138.84734	1.7
141.06927	2.3
142.07776	8.3
145.10091	6.3
147.11687	55.6
157.10178	8.1
159.11679	2.3
160.12454	2.6
160.80968	1.6
161.09647	5.4
161.13252	28.7
174.14081	3.0
175.11220	5.8
175.14833	14.0
184.67094	1.8
185.09637	8.9
185.13278	1.8
188.08327	2.9
203.10675	18.3
203.14523	8.2
203.17955	100.0
204.08557	5.9
204.10834	2.7
204.13875	6.6
215.43369	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	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03939	1.8
55.05246	1.1
55.05508	19.6
57.07061	2.9
60.04509	2.5
61.74807	1.0
65.03918	1.5
67.05505	11.1
67.07068	1.1
68.05016	1.1
69.07066	17.7
69.75210	4.6
79.05478	5.5
81.06602	2.0
81.07053	29.0
83.08604	3.7
83.85312	1.0
84.04511	1.9
91.05475	16.5
93.07045	12.7
95.04953	1.3
95.08605	33.6
96.04481	1.4
97.02880	2.1
97.10175	1.2
98.97608	1.3
102.38146	1.0
105.07030	56.6
107.08586	20.7
109.10155	23.8
114.05534	1.0
115.05463	1.5
117.06976	3.7
119.01892	1.0
119.08581	64.1
121.10145	17.9
123.11699	6.1
126.05497	3.9
128.06268	1.6
129.07010	3.2
131.08563	8.7
133.10130	51.6
135.11688	5.7
136.06216	2.2
142.07796	1.2
143.08540	2.2
145.10127	16.4
146.10864	1.3
147.08012	1.6
147.11688	67.1
148.12151	1.1
149.02330	9.9
157.06496	1.0
157.10049	1.6
159.11679	5.5
160.12477	6.5
161.02959	2.7
161.05957	3.2
161.09682	1.4
161.13254	31.3
170.10962	1.0
173.13219	1.4
174.14005	1.5
175.07579	5.5
175.14857	7.8
203.07066	3.3
203.10670	2.3
203.14279	4.3
203.17958	100.0
204.08609	2.1
204.13828	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	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03936	0.7
55.01870	0.4
55.05510	7.6
56.05011	0.3
56.96555	1.2
57.03432	0.4
57.07073	1.4
60.04523	1.9
61.02943	0.3
63.02306	0.3
64.85099	0.3
65.03952	1.0
67.05504	18.6
68.05028	0.7
69.03436	0.5
69.07065	8.7
69.98988	0.3
71.02021	0.6
79.05022	0.5
79.05488	9.4
79.47352	0.3
81.03413	0.4
81.07053	45.1
82.07384	0.4
83.04961	0.3
83.08605	1.7
84.04503	2.0
85.02906	0.6
91.05473	13.3
93.07043	20.1
95.04980	1.3
95.08604	66.0
96.04480	1.7
96.08939	0.7
97.02885	1.7
97.10178	1.1
98.06042	0.4
103.05464	0.8
105.07027	45.9
106.07309	0.5
107.04957	0.3
107.08589	40.5
108.08913	0.5
109.06510	1.4
109.10153	39.5
110.06049	0.4
110.10503	0.5
114.05534	1.8
115.05449	0.5
117.07018	1.8
118.03535	0.5
119.04933	0.4
119.08579	36.5
120.08888	0.4
121.06506	0.5
121.10144	16.4
122.10462	0.4
123.08055	0.4
123.11698	6.6
126.05498	2.3
128.06192	0.8
129.06989	1.7
131.08574	3.3
133.04868	0.4
133.06458	1.3
133.10126	27.9
134.10405	0.5
135.08028	0.3
135.11702	4.0
138.05487	0.5
142.07788	1.1
143.08566	1.6
144.06522	0.4
145.06496	0.4
145.10121	4.5
146.10922	0.9
147.08014	1.3
147.11681	54.1
148.12137	0.7
149.02365	0.4
157.06505	0.3
157.10118	1.6
157.28755	0.3
159.08081	0.4
159.11681	3.8
160.05128	0.5
160.08829	0.6
160.12468	1.1
161.05928	0.6
161.09636	1.4
161.13255	19.1
172.03868	0.4
174.14009	0.6
175.07535	1.3
175.11188	0.9
175.14835	8.5
185.09624	1.0
185.13225	1.6
186.07718	0.3
188.08389	0.7
188.10593	0.4
189.11577	0.5
201.16422	0.4
203.03352	0.6
203.06827	2.1
203.10693	3.9
203.14284	5.1
203.17946	100.0
204.08661	1.4
204.13860	1.8
204.18243	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	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
56.05044	0.5
56.96556	2.0
57.06831	0.4
57.07069	2.5
60.04520	1.8
65.03938	2.5
67.05512	0.6
68.05038	0.7
69.03430	1.0
69.05362	0.5
70.06571	0.5
71.06105	0.5
72.08173	0.6
74.02446	1.6
79.05489	1.3
81.03435	0.6
81.07062	0.5
84.04520	0.7
85.02911	1.0
85.04855	0.6
88.50608	0.4
91.05475	2.8
93.07053	1.4
94.08636	0.4
95.04967	0.8
96.04490	0.6
97.02890	1.5
97.04838	0.9
98.03195	0.6
98.97598	1.0
103.05530	0.5
105.07027	0.8
107.08577	0.6
114.05554	0.8
115.05373	3.4
116.98665	1.0
117.05757	1.7
117.06993	4.4
118.06540	49.6
119.06864	0.6
121.02874	3.6
121.03999	0.7
121.06526	2.0
121.10126	1.1
127.03986	0.5
127.05878	1.2
130.06520	3.6
131.08559	0.5
132.04448	1.0
132.08089	12.1
132.09052	0.8
134.99670	0.6
135.04478	0.4
135.11719	0.6
142.06497	4.9
143.07315	6.2
144.04462	0.7
144.08090	24.9
145.02850	0.9
145.06497	0.8
146.06007	100.0
146.99637	0.7
147.06351	1.3
147.07985	0.7
149.02341	23.4
149.05969	0.7
150.02733	0.5
159.09178	11.4
159.11580	0.6
160.07584	1.9
161.32010	0.5
162.05414	0.5
163.05835	0.5
163.11247	1.4
167.03423	0.6
170.06007	8.3
177.05467	0.7
177.12807	0.8
178.05000	5.4
188.07065	85.4
189.07410	1.5
205.04958	1.7
205.06857	0.8
205.08827	2.2
205.12253	2.2
205.14090	1.0
205.15919	0.7
206.04546	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	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
54.22506	0.4
56.96553	0.8
57.07066	1.3
65.03944	1.3
66.98827	0.6
67.05502	0.6
69.63484	1.1
69.63898	1.9
69.99771	0.4
74.02441	1.9
83.84011	0.5
91.05485	1.8
97.02880	0.6
97.10001	0.5
98.21465	0.7
103.05465	0.7
105.06980	0.6
115.05434	3.5
117.05771	1.4
117.07023	2.7
118.06544	43.5
118.52042	0.4
119.06873	0.6
121.02861	1.4
121.10099	0.4
130.06555	3.5
132.07095	0.7
132.08095	11.2
135.04434	0.5
142.06508	4.3
143.07304	6.0
144.04480	0.8
144.08090	21.9
145.06500	0.9
146.06010	100.0
147.06328	1.6
149.01181	1.0
149.02342	14.9
151.51447	0.4
159.09187	9.0
160.07565	1.3
161.54552	0.6
170.04675	0.7
170.06010	8.0
188.07069	82.6
189.07397	1.5
205.12335	0.5
205.19566	0.5
216.57233	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	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
52.79065	1.2
53.03936	3.6
55.01852	3.6
55.05506	4.1
56.96557	8.3
57.03426	2.8
57.07064	4.3
65.03931	3.2
66.52693	1.3
67.05502	4.6
67.80885	1.2
69.03434	17.0
69.07066	1.4
69.62756	4.4
69.63188	4.4
71.04994	2.5
72.08147	1.4
73.24619	1.4
73.83056	1.1
77.03922	1.7
78.33794	1.1
79.05506	7.1
81.03415	3.6
81.07050	4.6
82.69320	1.4
83.04971	4.4
84.08143	2.7
85.02897	5.2
91.04993	2.0
91.05488	23.5
93.03399	1.9
93.07045	36.0
95.04982	6.7
95.08602	2.0
97.02876	3.5
98.97590	13.3
103.05457	3.5
105.04536	1.5
105.07036	14.4
107.04932	5.8
107.08609	8.5
109.06534	3.9
111.04485	1.8
115.05409	3.3
116.98588	7.0
117.06975	8.2
119.08575	9.4
121.02870	6.0
121.06509	100.0
121.10125	6.9
122.01278	3.5
123.08070	2.7
128.06238	1.6
128.07199	1.1
128.98593	2.2
129.06989	4.9
130.07761	3.6
131.08540	9.4
133.06454	2.5
133.10120	4.7
134.99657	5.6
135.04482	1.3
135.08084	11.3
135.11707	5.9
143.08545	2.0
144.09363	7.4
145.06499	4.7
145.10110	12.1
146.06013	1.9
146.99632	2.3
147.08067	4.2
147.11658	2.2
149.02354	51.0
149.05965	11.1
149.09602	2.9
149.13260	1.7
151.03900	28.5
151.07506	4.0
155.01810	1.9
157.10046	1.4
158.07213	1.5
158.99706	2.0
159.08044	6.6
159.11693	29.3
161.06021	2.8
161.09601	6.1
162.10419	2.0
163.11172	14.6
164.02284	1.4
172.08829	7.4
173.05989	1.9
175.07521	2.2
175.11166	1.8
177.00673	5.6
177.02150	2.6
177.05490	1.7
177.09213	3.1
177.12727	16.4
181.01741	4.0
185.02806	3.1
187.07532	2.3
187.11194	20.4
188.06993	1.6
205.08678	6.1
205.12248	68.7
205.13835	2.8
206.99722	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03944	3.1
55.01861	0.7
55.05495	0.7
56.96557	0.8
57.03418	0.3
57.07067	1.2
60.32372	0.3
65.03941	0.4
67.05498	0.8
69.03411	1.2
69.07058	1.0
69.75002	0.7
69.75421	1.4
70.08193	0.3
72.08141	0.6
77.03915	0.9
79.05491	1.2
81.03419	0.4
81.07064	0.7
83.04974	1.0
84.42315	0.4
85.02927	0.7
85.06535	0.4
89.62666	0.3
91.05482	17.3
92.05013	0.4
92.98398	0.3
93.03435	0.4
93.07044	57.1
95.04970	8.0
97.02887	1.2
98.20665	0.3
98.97577	0.5
99.06368	0.3
103.05469	3.3
105.04505	1.6
105.07048	2.5
107.05020	0.7
107.08609	1.9
109.06520	0.5
115.05426	0.7
117.07023	2.1
119.08595	1.9
120.04475	1.1
121.06505	100.0
122.06850	0.7
127.07573	0.4
129.04512	0.5
129.06984	0.8
130.07799	0.6
131.04970	0.6
131.08571	1.6
132.04488	0.5
133.10123	0.6
135.08064	1.1
135.11714	1.2
143.08559	0.5
144.09386	0.7
145.02896	0.9
145.06586	0.8
145.10109	2.1
147.05537	13.3
147.06735	0.7
147.07979	0.8
148.03941	1.7
149.02344	6.0
149.06018	1.1
151.03899	0.5
159.04364	0.4
159.08061	0.9
159.11673	5.0
161.05971	0.7
161.09653	0.6
163.07648	0.5
163.11186	1.7
169.09979	0.3
172.08881	0.7
173.06111	0.4
175.11165	0.4
177.00772	0.5
177.05467	0.8
177.09108	0.4
177.12807	1.5
187.07651	0.6
187.11250	1.4
188.07114	0.4
190.06351	0.4
205.06154	17.0
205.08685	1.6
205.12242	12.6
206.04529	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	206.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01868	7.9
55.05499	5.4
56.05033	20.6
56.96564	79.8
57.03437	22.4
57.07064	2.4
58.06598	20.5
59.05001	5.8
60.04526	7.8
61.02925	41.4
62.99456	1.7
65.03944	3.1
67.05501	7.5
68.05028	13.4
69.03432	53.7
69.07074	5.0
70.03764	1.8
70.06564	2.3
70.98104	2.0
71.04985	2.8
71.37085	1.7
71.48906	1.9
71.75423	1.8
71.95263	2.8
72.08141	2.9
73.02520	3.4
73.02914	42.2
73.08499	1.8
74.97592	1.6
76.07651	2.7
77.00838	2.4
79.05450	2.5
80.00263	2.4
80.04987	3.0
80.94960	2.0
81.03410	7.4
81.07037	2.7
82.02951	2.0
82.06562	2.3
83.00794	5.4
83.04983	4.4
84.01497	2.5
84.04503	93.9
84.96033	4.9
85.02902	62.4
86.03233	1.8
87.04469	2.9
89.00807	2.5
90.01556	6.3
91.05499	3.4
92.01308	7.4
93.03401	2.7
95.01305	4.4
95.04969	5.2
95.80501	2.1
96.01546	4.0
96.04504	4.5
96.08128	100.0
97.02894	16.3
98.01286	9.9
98.97578	55.8
99.04466	4.6
101.00780	4.2
101.02372	3.3
102.05534	8.1
103.03904	2.4
104.01279	7.3
105.02081	3.1
105.07072	2.1
107.01836	7.9
109.02892	4.8
109.94380	2.0
110.01266	20.5
110.97566	9.0
111.02037	3.4
111.04440	2.2
113.01643	1.9
113.02372	37.1
114.02655	2.3
114.03755	2.0
114.05505	3.6
115.03920	2.2
116.01271	3.4
116.98617	51.5
117.01937	2.7
118.01051	2.5
119.01810	41.5
120.02029	4.2
121.01633	7.8
121.03022	1.7
124.07590	53.9
124.08509	3.3
125.01794	7.2
125.02636	1.9
127.03944	7.0
128.02315	55.8
128.07085	2.1
128.52391	1.8
128.98598	18.2
129.01984	1.9
130.01060	2.5
130.52634	2.2
131.00250	2.4
131.01836	8.2
133.01659	6.0
133.03519	2.4
134.02319	3.9
134.03641	1.8
134.99648	39.9
135.03146	3.8
137.02841	31.4
138.00746	4.2
139.02733	1.8
139.53087	3.2
142.05045	3.1
142.08632	72.5
142.96489	2.7
143.00183	4.0
143.01816	2.6
143.02791	2.0
145.01613	4.9
145.03375	3.0
145.05025	2.6
146.02289	4.7
146.08038	2.0
146.99632	25.8
147.03177	2.4
148.02017	3.6
149.01208	4.2
149.02318	2.7
150.01682	2.1
150.02710	7.7
150.96985	2.7
152.02303	5.7
153.00583	3.9
154.02014	3.1
155.00111	3.3
155.02824	6.7
157.01585	3.0
158.99686	13.3
160.04309	5.7
160.07620	4.0
160.09680	65.8
160.97609	5.3
161.01193	14.3
161.02884	7.0
162.01773	3.5
162.03059	4.2
162.99113	4.1
163.02673	5.0
165.00784	8.4
170.01500	4.5
170.08125	60.3
170.99675	9.2
171.01329	3.6
173.01233	10.2
173.02852	3.4
174.01796	7.8
174.03215	3.4
175.02695	5.9
176.01553	4.4
176.03352	3.4
177.00729	23.8
178.98747	2.8
179.02322	5.6
182.99759	3.1
183.02307	6.7
183.03996	2.2
184.97574	2.1
186.99200	2.5
187.02713	2.2
188.09177	20.3
189.00694	21.8
191.02232	2.2
191.03926	2.1
191.14337	3.7
197.02025	3.3
201.00717	21.5
201.02440	4.5
201.04243	2.1
202.98705	3.7
203.02211	2.5
205.00226	7.0
205.03738	2.6
206.02612	6.6
206.04427	3.5
206.08362	4.5
206.10233	51.4
206.11865	3.0
206.19048	4.1
207.01671	3.3
215.03000	2.0
219.01741	14.3
219.03540	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	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	3.3
56.96562	21.0
57.07061	2.3
58.99865	3.5
60.99615	1.8
68.05014	2.4
69.69647	11.2
77.00905	5.1
84.08151	2.0
95.01934	5.4
97.07632	4.3
97.10169	2.7
98.21511	3.5
98.97578	5.3
100.02481	4.5
101.00854	10.3
116.98608	9.0
118.03516	6.3
119.01919	97.4
120.02046	3.4
121.01662	4.7
124.02413	2.7
124.08697	1.8
132.08098	1.9
134.99652	15.6
137.02953	63.5
138.03055	2.6
139.02730	3.8
141.05095	14.8
142.03499	100.0
143.03648	2.4
149.01309	1.8
149.02351	3.6
150.02689	6.4
153.00713	4.6
159.06189	15.1
160.02710	4.0
160.04552	61.4
161.04688	3.0
165.05127	9.9
171.05107	2.0
172.04518	1.9
177.01039	3.3
178.01045	2.1
178.03850	6.7
178.06232	2.6
179.00642	2.8
182.04237	2.1
182.94017	1.9
183.04889	3.9
183.06178	80.2
183.97624	3.2
184.04568	2.4
184.06216	1.9
190.64476	2.1
191.14410	4.9
199.08134	1.8
201.02545	3.2
201.04210	4.0
201.05786	3.3
201.07253	35.1
201.09727	13.5
202.07188	2.0
206.05017	2.7
206.07957	3.9
206.14091	2.3
206.19017	4.0
219.01830	2.6
219.10753	14.6
224.08905	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	206.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.01875	8.8
55.05497	4.0
56.05036	15.8
56.80751	1.8
56.96566	83.1
57.03436	25.0
58.06601	27.0
59.04996	4.6
60.04522	5.0
61.02926	33.8
65.03939	3.3
65.09491	1.5
67.01847	3.4
67.05497	7.6
68.05029	11.5
68.99838	1.7
69.03432	54.5
69.07066	6.2
69.26844	18.0
70.06578	2.9
71.01337	3.9
71.04996	2.2
71.95280	3.7
72.04487	1.8
73.02517	3.5
73.02920	45.9
74.03253	1.7
74.97608	3.9
77.00826	2.6
80.94952	3.7
81.03416	5.1
83.00777	7.8
83.01268	1.7
83.04985	7.0
84.01588	2.6
84.04507	98.1
84.08134	1.8
84.96042	7.9
85.02905	66.4
85.06538	2.1
86.06100	1.8
87.04472	6.2
88.99146	2.2
89.00780	4.9
90.01546	4.5
91.05482	4.4
92.01316	9.1
93.03401	2.7
94.06563	3.1
95.00793	3.3
95.01341	7.7
95.04980	5.1
96.01559	4.2
96.04502	2.1
96.08131	100.0
97.02892	20.8
98.01295	12.8
98.20800	2.7
98.97581	61.3
99.04453	5.0
101.00800	5.2
101.02372	2.5
102.01511	1.9
102.05535	6.0
103.03940	2.3
104.01288	6.6
105.02091	5.1
106.01029	3.3
107.01815	6.8
108.01550	2.5
109.02882	3.6
110.01295	19.2
110.06031	2.8
110.97539	9.4
111.02042	1.8
111.04432	4.6
112.99131	2.1
113.02391	35.5
114.03765	3.2
114.05530	4.5
115.03957	3.9
116.98626	58.2
117.01984	2.7
118.01061	2.5
118.06566	4.2
119.01811	51.3
119.04958	4.4
119.51978	3.0
120.02032	5.1
121.01623	8.0
121.02794	2.2
122.02290	2.6
122.06073	1.8
123.02103	2.1
124.07594	56.1
125.01819	8.0
126.02560	5.2
127.03941	10.0
128.02318	64.4
128.04326	1.9
128.52521	4.0
128.98605	22.5
130.05020	2.0
130.10619	2.0
130.52600	3.9
131.00159	2.5
131.01836	6.9
132.00772	2.1
133.01674	4.5
133.03470	2.7
134.02310	4.4
134.99658	41.1
135.00655	2.5
135.03088	4.6
137.01849	3.9
137.02837	33.2
137.53012	3.0
138.02660	2.6
139.01569	2.4
139.53099	3.9
140.02325	5.4
140.98575	2.7
141.01303	3.6
142.04999	3.2
142.08644	68.2
142.09787	3.2
142.96556	2.9
143.00151	4.0
143.01851	4.4
145.01617	5.0
146.02327	5.5
146.06044	2.3
146.08109	3.9
146.99648	34.2
147.03180	3.0
147.04405	6.7
148.02025	2.0
148.03871	2.1
149.01178	2.3
149.02905	2.6
149.09567	2.2
150.02753	5.7
150.96915	2.2
152.02281	4.3
152.07065	2.8
153.01161	3.6
153.05443	2.4
155.00040	2.7
155.01106	2.8
155.02824	6.0
158.99596	14.1
160.04305	7.7
160.09711	64.0
160.97563	3.5
161.01228	18.2
161.02892	11.0
162.99184	6.6
163.02705	5.0
164.03452	4.0
165.00742	11.6
167.01036	2.4
167.02780	2.9
168.01711	2.0
170.01556	3.5
170.03339	4.0
170.08128	65.7
170.99641	11.5
173.01254	9.1
173.02826	3.5
174.01826	6.1
174.03624	3.7
175.02646	4.4
175.03964	5.7
176.01515	2.7
177.00723	26.8
178.08646	3.1
179.02263	3.7
182.99756	2.6
183.02246	3.0
183.97578	3.2
184.03088	2.9
186.99178	4.5
187.00897	2.5
187.02762	3.0
188.09212	18.9
189.00729	26.5
191.02327	4.1
191.14284	3.4
193.00281	2.2
193.05055	2.1
195.01688	2.4
197.02078	4.1
197.03873	2.7
201.00717	20.1
201.02423	4.9
202.98625	5.0
203.02330	3.8
205.00232	3.7
206.02641	4.1
206.05003	3.5
206.08185	8.4
206.10208	49.9
206.11981	2.9
206.19110	2.9
206.98283	2.0
207.01744	4.3
207.06531	4.0
216.00661	2.6
217.00208	3.6
219.01741	21.0
219.03581	1.8
221.03290	2.5
222.05301	2.2
223.01260	2.7
223.04877	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	206.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.01875	8.8
55.05497	4.0
56.05036	15.8
56.80751	1.8
56.96566	83.1
57.03436	25.0
58.06601	27.0
59.04996	4.6
60.04522	5.0
61.02926	33.8
65.03939	3.3
65.09491	1.5
67.01847	3.4
67.05497	7.6
68.05029	11.5
68.99838	1.7
69.03432	54.5
69.07066	6.2
69.26844	18.0
70.06578	2.9
71.01337	3.9
71.04996	2.2
71.95280	3.7
72.04487	1.8
73.02517	3.5
73.02920	45.9
74.03253	1.7
74.97608	3.9
77.00826	2.6
80.94952	3.7
81.03416	5.1
83.00777	7.8
83.01268	1.7
83.04985	7.0
84.01588	2.6
84.04507	98.1
84.08134	1.8
84.96042	7.9
85.02905	66.4
85.06538	2.1
86.06100	1.8
87.04472	6.2
88.99146	2.2
89.00780	4.9
90.01546	4.5
91.05482	4.4
92.01316	9.1
93.03401	2.7
94.06563	3.1
95.00793	3.3
95.01341	7.7
95.04980	5.1
96.01559	4.2
96.04502	2.1
96.08131	100.0
97.02892	20.8
98.01295	12.8
98.20800	2.7
98.97581	61.3
99.04453	5.0
101.00800	5.2
101.02372	2.5
102.01511	1.9
102.05535	6.0
103.03940	2.3
104.01288	6.6
105.02091	5.1
106.01029	3.3
107.01815	6.8
108.01550	2.5
109.02882	3.6
110.01295	19.2
110.06031	2.8
110.97539	9.4
111.02042	1.8
111.04432	4.6
112.99131	2.1
113.02391	35.5
114.03765	3.2
114.05530	4.5
115.03957	3.9
116.98626	58.2
117.01984	2.7
118.01061	2.5
118.06566	4.2
119.01811	51.3
119.04958	4.4
119.51978	3.0
120.02032	5.1
121.01623	8.0
121.02794	2.2
122.02290	2.6
122.06073	1.8
123.02103	2.1
124.07594	56.1
125.01819	8.0
126.02560	5.2
127.03941	10.0
128.02318	64.4
128.04326	1.9
128.52521	4.0
128.98605	22.5
130.05020	2.0
130.10619	2.0
130.52600	3.9
131.00159	2.5
131.01836	6.9
132.00772	2.1
133.01674	4.5
133.03470	2.7
134.02310	4.4
134.99658	41.1
135.00655	2.5
135.03088	4.6
137.01849	3.9
137.02837	33.2
137.53012	3.0
138.02660	2.6
139.01569	2.4
139.53099	3.9
140.02325	5.4
140.98575	2.7
141.01303	3.6
142.04999	3.2
142.08644	68.2
142.09787	3.2
142.96556	2.9
143.00151	4.0
143.01851	4.4
145.01617	5.0
146.02327	5.5
146.06044	2.3
146.08109	3.9
146.99648	34.2
147.03180	3.0
147.04405	6.7
148.02025	2.0
148.03871	2.1
149.01178	2.3
149.02905	2.6
149.09567	2.2
150.02753	5.7
150.96915	2.2
152.02281	4.3
152.07065	2.8
153.01161	3.6
153.05443	2.4
155.00040	2.7
155.01106	2.8
155.02824	6.0
158.99596	14.1
160.04305	7.7
160.09711	64.0
160.97563	3.5
161.01228	18.2
161.02892	11.0
162.99184	6.6
163.02705	5.0
164.03452	4.0
165.00742	11.6
167.01036	2.4
167.02780	2.9
168.01711	2.0
170.01556	3.5
170.03339	4.0
170.08128	65.7
170.99641	11.5
173.01254	9.1
173.02826	3.5
174.01826	6.1
174.03624	3.7
175.02646	4.4
175.03964	5.7
176.01515	2.7
177.00723	26.8
178.08646	3.1
179.02263	3.7
182.99756	2.6
183.02246	3.0
183.97578	3.2
184.03088	2.9
186.99178	4.5
187.00897	2.5
187.02762	3.0
188.09212	18.9
189.00729	26.5
191.02327	4.1
191.14284	3.4
193.00281	2.2
193.05055	2.1
195.01688	2.4
197.02078	4.1
197.03873	2.7
201.00717	20.1
201.02423	4.9
202.98625	5.0
203.02330	3.8
205.00232	3.7
206.02641	4.1
206.05003	3.5
206.08185	8.4
206.10208	49.9
206.11981	2.9
206.19110	2.9
206.98283	2.0
207.01744	4.3
207.06531	4.0
216.00661	2.6
217.00208	3.6
219.01741	21.0
219.03581	1.8
221.03290	2.5
222.05301	2.2
223.01260	2.7
223.04877	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	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
53.00320	1.0
55.01885	0.7
56.96557	0.6
65.03939	8.9
67.05502	1.5
69.03403	1.2
70.55692	0.6
70.84349	2.0
71.26285	0.6
76.03137	1.6
77.03938	2.6
79.05502	2.5
80.06263	0.9
81.03433	1.1
81.07056	1.1
82.28826	0.7
89.03910	4.5
90.04705	1.5
91.05482	100.0
92.05810	1.3
93.03388	1.3
95.04974	2.0
95.08614	0.9
98.97564	1.5
103.05470	2.6
104.02608	1.5
104.27749	0.7
105.03403	2.1
105.07040	2.7
106.06586	0.8
107.04950	2.8
107.08582	1.1
108.05728	1.3
109.06555	1.0
116.98627	1.0
117.03327	0.8
118.04166	11.7
119.04942	99.9
119.08596	2.9
120.05273	0.9
121.02892	3.9
123.07967	1.5
129.03386	1.8
132.02087	6.7
133.10059	1.3
134.03627	1.4
134.06013	2.5
135.04373	3.9
136.05185	3.9
137.05952	1.0
145.02835	2.8
146.03630	3.2
147.04408	71.3
147.08070	1.7
147.11664	0.8
148.04906	1.0
149.02341	14.9
149.09608	1.7
150.03159	1.5
151.07544	0.9
153.05452	1.2
156.66432	0.9
157.03989	7.4
161.05933	1.9
161.09572	0.8
161.13179	1.1
162.03197	1.2
162.05464	3.4
163.03883	2.3
164.04691	7.8
173.02507	0.7
174.03101	3.2
175.03906	88.8
176.04381	1.5
176.09763	0.7
177.00504	0.8
177.01941	3.8
179.07010	8.4
179.08429	1.0
180.06596	2.4
189.12741	1.4
190.04976	1.4
192.04166	31.3
193.04768	0.7
207.06514	50.5
207.13795	1.8
208.06001	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	207.0653
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
50.01638	0.5
51.02376	0.6
53.03951	1.4
55.01873	1.5
55.05513	2.8
56.96572	1.5
57.07082	0.8
59.22395	0.5
63.02373	0.9
64.03158	0.6
65.03940	9.8
67.05505	6.1
69.03436	5.0
69.07076	3.5
70.41306	1.8
71.05003	2.1
74.37385	0.5
76.03132	0.8
77.03926	2.1
79.05503	3.6
79.99629	0.5
80.06279	1.3
81.03410	1.2
81.07049	4.3
83.05003	1.7
85.02886	1.2
85.06550	0.9
89.03919	4.6
90.04688	1.8
91.05483	100.0
91.87350	0.5
92.05840	1.4
93.03417	1.8
93.07037	4.0
94.04194	0.7
95.04970	3.6
95.08613	14.2
97.02896	0.7
97.06546	0.6
98.97575	2.0
99.04438	0.7
101.03912	1.1
103.05483	3.5
104.02615	0.8
105.03395	2.1
105.07041	10.1
107.04960	2.9
107.08585	6.4
108.05742	2.0
109.06525	3.0
109.10160	2.0
111.08073	0.7
113.05999	0.6
115.05500	0.7
116.98624	1.7
117.03380	1.1
117.07023	2.0
118.04174	10.7
119.04946	89.9
119.08578	13.4
120.05255	1.6
120.09384	0.8
121.02869	3.6
121.06502	3.2
121.10160	5.5
122.03672	1.1
123.04432	2.0
123.08070	10.3
123.11694	1.0
125.05954	0.6
125.09615	0.8
129.03398	1.5
129.04457	0.9
129.07048	0.6
130.07832	0.6
131.04936	1.6
131.08586	2.3
132.02083	6.6
133.02864	1.5
133.06517	3.0
133.07384	0.6
133.10133	6.0
134.03638	1.1
134.99744	0.6
135.04411	5.0
135.08046	1.8
135.11684	1.3
136.05193	3.5
137.05997	1.2
137.09618	4.0
137.13257	1.2
143.08562	1.5
145.02850	2.7
145.10193	1.3
146.03612	5.1
146.10928	0.9
147.04416	76.8
147.08063	3.8
147.11703	7.9
148.04956	0.7
149.02341	14.4
149.09628	13.8
150.03075	2.1
151.03938	0.9
151.07565	3.4
151.14758	0.7
156.09332	1.0
157.03961	6.1
158.99663	1.1
159.08032	1.0
159.11722	1.2
161.05986	4.1
161.09621	2.2
161.13260	21.0
162.03157	1.4
162.05554	1.0
163.03937	3.0
163.07520	0.8
163.11220	1.2
164.04707	9.2
165.05440	0.9
165.09071	1.0
165.12735	3.5
171.11687	2.4
174.03140	3.5
174.10361	1.5
175.03909	87.1
176.04282	1.4
177.00551	1.2
177.00963	0.8
177.01849	4.3
177.05350	0.7
179.07027	8.4
179.14278	1.3
183.77785	0.8
187.06264	1.3
189.09068	2.1
189.12752	13.7
192.04181	33.9
193.04742	1.0
195.05804	0.7
196.06708	1.2
207.06522	54.1
207.10211	1.9
207.13802	21.7
207.15771	0.8
208.06949	1.1
225.54752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03940	2.7
55.01863	5.6
55.05514	19.0
56.96552	4.6
57.03418	3.7
57.07066	4.5
59.04982	6.8
64.35592	1.8
65.03936	8.5
67.05506	32.0
68.99786	1.5
69.03428	28.1
69.07066	15.0
69.34354	9.3
69.34781	4.1
71.05006	19.2
72.82545	1.5
77.03933	2.7
79.05496	24.0
81.03410	4.9
81.07062	35.0
83.04973	17.8
83.08630	3.0
85.02895	5.9
85.06542	5.5
91.05480	69.6
91.39369	2.0
93.03375	4.7
93.06496	2.6
93.07043	33.0
95.04976	23.9
95.08606	45.6
97.02869	2.3
97.06517	5.4
97.10149	1.8
98.97556	2.8
99.04446	2.9
103.05453	8.7
104.87270	1.8
105.03397	2.2
105.07033	77.4
106.04176	3.7
107.04958	7.1
107.08595	40.3
108.05743	5.2
109.02879	2.1
109.05812	2.9
109.06518	34.3
109.10165	18.7
111.08070	5.5
113.06004	2.1
115.05452	3.5
116.98624	1.6
117.07006	7.2
118.04150	5.6
119.04944	47.2
119.07716	3.3
119.08582	68.6
121.02857	5.0
121.06502	18.9
121.09351	2.4
121.10146	29.3
123.04451	9.3
123.08072	45.9
123.11693	10.2
125.05942	2.2
125.09657	3.0
128.06206	5.2
129.06984	5.2
130.07721	1.7
131.08559	8.8
133.06505	10.2
133.10132	34.7
135.08063	10.0
135.11723	8.3
136.05177	16.0
137.06003	4.3
137.09604	23.8
137.13231	3.6
141.06990	2.2
143.05400	2.1
143.08539	10.3
145.06485	2.7
145.10117	14.5
146.03580	9.9
146.05846	1.7
146.07242	2.7
147.04420	48.3
147.08025	16.4
147.11685	51.5
149.01244	2.7
149.02328	33.2
149.05983	7.0
149.09627	34.5
149.13272	3.8
151.07549	30.2
151.11197	3.1
151.14760	1.7
155.09787	1.5
156.09334	10.9
159.08009	4.8
159.11699	9.4
160.08804	4.5
161.05991	6.3
161.09630	17.7
161.13257	32.3
163.03885	7.3
163.11177	27.9
164.04692	44.1
164.06947	2.9
165.05350	5.1
165.09102	3.8
165.12755	12.9
167.02211	1.9
171.11679	15.0
174.03157	11.0
174.10463	7.4
175.03902	21.4
177.05394	2.7
177.12747	12.7
179.07028	34.6
179.10564	1.9
179.14336	5.1
183.10150	2.7
187.08072	1.6
189.09134	2.3
189.12755	45.1
189.16347	6.0
191.03357	4.2
192.04153	16.6
192.09395	1.9
193.04843	5.1
207.03093	3.5
207.06523	100.0
207.10051	8.5
207.13797	98.6
207.17421	8.5
208.06776	3.3
208.09866	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02370	1.3
53.03942	6.1
55.01872	1.6
55.05513	7.4
56.96580	1.0
57.03425	0.7
65.03936	1.9
67.05505	27.2
69.03422	1.6
69.07072	6.9
69.95534	1.4
69.95955	2.1
71.04987	2.8
73.06552	1.5
77.03932	1.4
79.05493	48.7
81.03419	1.4
81.07054	20.9
83.04982	3.4
83.08614	2.4
85.02886	1.2
85.06528	3.0
85.22784	0.6
91.05479	52.5
93.07042	100.0
94.07381	1.6
95.04967	18.3
95.08607	10.7
97.06527	2.1
97.10161	1.2
99.08112	0.9
104.01228	0.7
105.04520	2.8
105.06323	1.5
105.07030	28.0
107.04969	1.4
107.08598	10.9
109.06515	4.5
109.10145	1.2
111.08109	0.8
117.07024	5.4
119.04955	1.3
119.08586	16.9
121.06502	2.1
121.10133	2.6
123.08065	4.1
127.07558	1.5
128.06226	1.8
129.07010	9.4
131.08572	2.2
133.10135	5.7
133.90466	0.7
135.11763	0.8
137.09637	1.2
141.99388	0.6
143.08548	6.9
145.10115	8.6
147.04379	1.2
147.08026	2.6
147.11682	53.0
148.12003	1.1
149.09642	0.6
152.69356	0.7
161.09627	4.0
161.13249	7.9
171.10300	1.3
171.11690	19.3
175.03906	1.6
183.58690	0.7
189.12727	12.4
207.06551	2.2
207.13802	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
51.02374	1.2
53.03949	4.8
54.43307	1.0
55.01871	5.0
55.05507	7.8
56.96572	6.0
57.03421	3.7
57.07071	1.6
59.04985	3.6
61.02928	1.7
62.95297	1.0
65.03943	5.4
67.05500	6.4
67.05789	1.1
69.03429	19.9
69.07082	5.4
69.97204	2.6
69.97597	2.2
70.06568	2.0
71.04991	5.2
73.02898	3.5
77.03926	1.9
78.28858	0.9
79.05492	10.6
80.06252	1.3
81.03412	9.1
81.07065	9.6
82.06606	1.1
83.04501	1.5
83.04977	19.9
83.08623	2.0
84.08114	4.5
84.96016	1.9
85.02902	8.0
85.06548	1.9
87.04456	1.0
89.03893	2.4
91.05484	50.7
92.05803	1.5
93.03398	1.8
93.07042	14.6
95.04974	6.4
95.08612	15.0
97.02905	6.9
97.06514	1.5
98.97587	10.6
99.04447	1.5
103.05466	3.3
105.00961	1.0
105.07035	45.9
107.04972	7.5
107.08600	16.3
109.02877	1.7
109.06519	13.7
109.10137	4.1
110.97554	2.1
111.08074	2.8
115.05482	1.5
115.50856	1.7
116.06238	0.9
116.98637	6.9
117.07020	5.8
118.04138	4.5
119.01815	1.4
119.04946	48.9
119.08579	33.8
121.02856	1.7
121.06495	8.9
121.10147	12.8
122.07133	1.4
123.04432	1.5
123.08067	14.5
123.11717	2.3
125.09651	1.8
128.06207	1.6
128.98601	3.1
129.06995	3.3
130.07809	2.0
131.08577	6.6
132.02100	2.9
133.06509	8.9
133.10120	8.3
134.99661	3.6
135.04385	2.8
135.08063	5.5
135.11681	3.2
137.05977	2.0
137.09607	8.7
138.03139	1.7
139.07475	1.0
143.08548	7.8
144.09348	1.3
145.02895	1.6
145.06461	3.5
145.10123	25.8
146.03578	2.6
146.07251	1.5
146.99648	2.9
147.04417	33.7
147.08058	13.1
147.11693	19.0
148.08812	1.1
149.02361	5.9
149.09605	18.7
151.03880	3.4
151.07536	12.2
153.00671	1.2
153.05473	13.1
154.05904	1.1
156.09341	10.7
157.03981	2.1
158.99637	1.6
159.07996	1.7
159.11714	9.2
160.08839	9.8
161.01274	2.1
161.05991	2.0
161.09610	18.7
161.13249	19.5
162.05562	1.7
162.10336	2.4
163.03912	2.0
163.11180	89.9
164.04654	4.3
164.11551	1.4
165.09041	1.3
165.12791	8.6
169.51949	1.6
171.11690	12.0
174.10381	3.0
175.03911	37.2
177.00623	2.2
177.03099	1.6
177.12753	18.9
178.52429	2.1
179.02623	1.3
179.07033	9.8
179.14343	2.4
185.05659	2.6
186.03584	3.5
189.12723	19.0
189.14272	1.7
192.04184	13.7
195.06544	1.3
197.98329	1.3
207.04541	1.9
207.06519	25.4
207.13802	100.0
208.06184	1.7
208.14143	2.5
211.99925	2.4
216.04678	3.9
219.01837	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	2.3
55.01868	4.3
55.05504	9.2
56.96552	3.1
57.03417	2.1
57.07059	5.6
59.04988	4.1
65.03920	6.5
67.05505	28.8
69.03411	7.3
69.07063	9.7
69.29941	15.5
71.04988	3.7
79.05489	13.6
80.06293	1.7
81.03417	2.9
81.07061	12.5
83.04980	8.6
85.06542	7.7
89.03925	3.1
90.04645	2.0
91.05480	93.2
92.05795	2.1
93.07048	23.4
95.04970	10.7
95.08604	88.5
97.02885	2.0
97.06531	4.5
98.97553	5.7
103.05480	2.5
104.02621	1.5
105.07028	43.1
107.04927	6.1
107.08588	29.3
109.06528	11.5
109.10134	6.8
113.06001	4.7
116.98595	3.3
117.07001	5.1
118.04159	9.7
119.04942	77.1
119.05804	3.7
119.07723	3.1
119.08578	60.5
120.09325	1.8
121.02851	4.1
121.06502	7.7
121.10144	27.1
122.21822	1.7
123.04420	2.2
123.08064	61.1
123.11683	8.5
125.09654	3.3
129.06961	2.3
131.08545	6.7
132.02049	7.5
133.06494	8.6
133.10139	27.9
135.04344	2.3
135.08044	4.3
135.11697	5.8
136.05174	3.2
137.09616	10.8
137.13260	2.8
141.06952	2.5
143.08519	4.4
145.10121	5.8
146.03647	4.2
147.04405	64.2
147.08014	11.4
147.11679	39.0
149.02325	14.8
149.06076	2.0
149.09615	96.7
151.07495	7.8
151.14787	2.3
156.09337	7.0
157.03947	6.6
159.07970	4.6
159.11667	3.8
160.08829	2.1
161.05946	3.6
161.09599	5.8
161.13252	97.0
162.05461	1.6
163.03952	2.4
163.11166	5.7
164.04704	10.9
165.09062	3.6
165.12752	15.4
171.11687	12.5
174.03223	2.0
174.10342	8.5
175.03906	76.0
176.04256	2.4
179.07027	8.7
179.08411	1.6
179.14273	4.3
189.12738	64.9
192.04160	29.2
195.05855	3.1
207.06512	42.1
207.13791	100.0
208.14085	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03915	1.3
55.05512	6.8
57.07080	5.7
59.04993	1.6
65.03933	1.5
67.05502	27.6
68.52296	0.8
69.03424	4.1
69.07055	3.2
70.85394	1.9
71.04977	2.9
75.14421	0.8
79.05475	6.0
81.07057	7.9
83.04983	3.8
85.02893	2.6
85.06537	7.9
91.05489	8.7
93.07040	16.0
95.04979	4.3
95.08605	100.0
96.08959	1.0
105.07033	16.5
107.04951	1.4
107.08590	20.2
109.06496	6.4
109.10172	4.4
111.08025	1.4
113.05984	4.9
116.06231	1.3
117.07007	1.4
119.07722	1.7
119.08582	32.4
120.09399	2.0
121.06509	2.9
121.10149	18.0
121.10970	1.6
123.08066	60.8
123.11695	8.2
125.09637	1.5
131.08556	5.4
133.06491	2.2
133.10121	8.5
135.08115	1.5
135.11708	3.1
137.09607	4.4
137.13161	1.3
139.07529	2.4
143.08592	1.4
145.10194	2.1
147.08058	6.4
147.11659	12.4
149.09621	57.4
151.07553	1.9
151.14809	4.8
152.63849	0.9
156.09390	2.7
159.08076	1.8
161.09631	2.7
161.13269	17.6
163.11185	3.5
165.09134	2.0
165.12767	10.5
171.11734	2.5
174.10388	5.5
179.14296	3.8
189.12737	21.7
207.13794	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	6.9
55.01865	1.7
55.05517	16.7
57.03422	6.9
57.07074	3.8
59.05008	9.7
61.78313	1.5
65.03919	2.3
65.11317	1.6
67.05502	21.0
69.03430	14.1
69.07071	13.4
69.62450	8.2
69.62861	3.4
71.04980	6.3
71.82876	2.0
72.82135	1.4
74.44141	1.6
79.05499	18.8
81.07058	26.8
83.04983	11.9
83.08604	2.5
85.02879	2.2
85.06533	4.8
91.05472	30.3
93.07045	31.0
95.04975	11.2
95.08607	33.4
97.06528	6.5
99.04475	3.8
103.05418	2.9
105.07031	85.6
107.04924	2.5
107.08591	41.5
109.06521	21.5
109.10160	10.3
111.08085	6.0
113.05993	2.2
117.07004	7.5
119.04945	5.0
119.06114	2.1
119.08584	100.0
121.06527	13.7
121.10151	30.1
123.07234	3.0
123.08073	48.6
123.11697	7.6
125.05960	2.2
128.06226	3.9
129.06995	3.5
130.07698	1.8
131.08603	8.7
132.09404	1.8
133.06477	6.7
133.07397	1.8
133.10133	35.1
135.08060	22.9
135.11693	9.6
137.09627	28.3
137.13284	5.4
139.07552	7.4
141.07034	2.0
143.08560	5.4
145.06509	3.2
145.10120	7.9
147.08043	21.8
147.11693	84.0
149.09619	34.4
149.13246	1.9
151.07526	9.9
151.11122	2.6
153.09090	5.1
156.09326	14.3
159.08015	4.0
159.11707	8.3
160.08833	5.0
161.09619	11.3
161.13257	67.0
162.13545	1.7
163.11192	5.6
165.09137	5.1
165.12799	9.0
171.11719	13.9
174.10397	6.6
175.02513	1.9
177.12733	8.8
179.14249	8.3
189.12747	40.1
207.06595	1.6
207.13809	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03947	2.4
55.05502	5.9
57.07066	4.2
59.04990	4.0
67.05515	7.2
69.03425	11.1
69.07047	3.5
69.25178	1.5
69.54113	7.7
69.54531	3.1
71.04988	4.6
71.52269	1.3
72.89699	1.3
79.05503	9.9
81.07065	13.9
83.04963	6.9
85.02917	13.0
85.06541	5.4
91.05489	26.0
93.07054	15.6
95.04990	7.0
95.08597	10.9
97.06532	2.7
103.05486	2.4
105.06317	3.1
105.07034	59.6
107.04951	8.2
107.08594	21.2
109.06522	25.9
109.10179	3.0
111.08071	2.8
112.75905	1.4
115.05479	3.3
116.06239	2.8
117.07032	7.8
119.04941	6.2
119.08583	63.9
121.06472	4.1
121.10146	27.8
123.08072	23.3
123.11704	8.9
128.06233	6.2
129.07033	7.1
130.07756	4.5
131.08585	20.5
133.06479	5.3
133.10115	10.7
135.08069	3.8
135.11703	2.1
136.05147	1.6
137.05930	1.7
137.09625	3.3
141.06995	5.5
142.07765	2.6
143.08562	13.8
145.06464	2.4
145.10133	23.8
146.07285	1.7
146.10898	7.2
147.04416	5.9
147.08057	21.0
147.11691	79.6
149.09612	17.9
151.07550	12.9
155.08507	1.6
156.09355	26.3
159.08075	9.1
160.08806	5.1
161.05986	4.1
161.09642	6.2
161.13242	13.8
163.11197	16.3
164.04654	2.2
165.12720	4.9
171.11694	11.4
173.09579	3.0
174.10406	14.4
175.03935	4.9
179.07074	3.0
184.02782	1.5
189.12744	66.2
192.04092	2.0
207.06488	5.8
207.13802	100.0
208.14069	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03949	2.5
55.05516	11.5
55.08333	1.7
57.03426	6.6
57.07067	3.1
58.89235	1.9
59.04987	8.8
61.87431	1.7
65.03908	2.0
67.05508	17.6
69.03436	15.3
69.07075	12.6
69.50037	2.6
69.50445	12.2
71.04993	9.2
79.05490	14.3
81.07059	22.1
82.34898	1.8
83.04983	13.5
83.08604	2.6
85.02905	4.6
85.06581	3.8
89.89365	1.8
91.05481	25.6
93.07048	30.5
95.04987	9.2
95.08609	33.6
97.06512	6.9
99.08070	2.0
103.05486	3.3
105.06325	3.7
105.07033	75.9
107.04947	3.9
107.08595	44.9
109.06521	25.7
109.10160	9.4
111.08076	9.3
113.06010	5.4
117.07025	5.2
119.04963	5.4
119.08582	89.7
119.87405	1.9
121.06507	14.5
121.10149	31.6
123.08073	50.2
123.11710	6.8
125.09624	2.7
129.06984	3.2
131.08559	7.3
133.06500	9.7
133.07353	1.9
133.10127	27.6
135.08081	21.5
135.11681	6.2
137.09619	27.1
137.13217	4.0
139.07550	3.8
143.08537	5.9
145.10121	10.0
147.04390	3.8
147.08035	20.6
147.11685	81.0
149.09624	40.5
151.07516	11.1
153.09076	3.4
156.09325	14.2
159.08002	4.3
159.11722	7.7
160.08853	2.9
161.09642	9.1
161.13264	63.1
163.11214	12.8
165.09108	2.6
165.12698	11.0
171.11682	17.9
174.10393	7.6
177.12714	9.6
179.07005	2.5
179.14313	5.2
189.12761	51.9
207.06496	2.8
207.13799	100.0
208.14198	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03952	1.8
55.01861	2.1
55.05512	6.2
56.96570	2.3
57.03437	1.5
57.07067	2.0
58.48447	0.7
65.03923	2.3
67.05194	0.9
67.05508	12.6
68.99796	1.2
69.03432	19.2
69.07074	6.8
71.02481	2.5
71.04996	47.2
79.05500	7.6
81.03400	1.5
81.07063	13.2
83.04967	4.3
83.08590	0.9
85.02914	1.5
85.06492	1.0
91.05489	25.2
93.07053	7.9
95.04967	8.5
95.08611	19.6
97.06534	2.0
98.97562	1.7
100.97872	0.9
102.16109	0.8
103.05460	2.8
103.08677	0.9
105.07040	19.4
106.07297	1.0
107.04955	2.7
107.08600	8.7
108.05725	2.6
109.02884	1.1
109.06524	8.7
109.10157	18.0
111.08063	1.2
113.06039	2.0
117.06998	2.6
118.04176	2.1
119.04955	14.7
119.08590	22.5
121.06501	6.2
121.10135	11.2
122.07264	3.6
123.04478	4.1
123.08066	12.9
123.11710	4.7
129.06976	1.6
131.08554	2.6
132.02119	1.1
133.06479	3.2
133.10146	11.5
135.08058	7.3
135.11659	1.6
136.05203	5.1
136.08755	1.0
137.09625	100.0
137.13226	1.9
138.09941	1.5
141.09100	1.3
143.08568	2.0
145.06483	1.1
145.10182	1.7
146.03633	3.2
147.04416	15.4
147.08040	6.9
147.11685	10.2
149.01230	2.3
149.02330	10.3
149.05991	0.9
149.09627	5.3
151.07549	35.2
151.11174	2.0
155.07039	1.9
155.10600	1.0
156.09381	2.7
157.06561	1.1
159.08078	3.2
159.11728	1.3
160.08873	1.9
161.06029	1.8
161.09621	4.9
161.13266	11.8
163.03938	2.3
163.11166	2.2
164.04700	16.6
165.09106	6.5
165.12758	39.2
171.11668	2.2
173.09674	1.3
174.03127	4.0
174.10399	3.7
175.03922	6.0
177.05481	1.0
177.12643	1.0
179.07034	12.3
179.10600	1.8
179.14330	3.7
183.10222	1.5
189.09161	1.7
189.12747	29.7
191.03448	1.9
192.04137	5.9
207.06534	29.5
207.09741	1.6
207.13811	45.0
208.06889	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.68763	0.3
53.00311	0.3
53.03944	0.4
55.01866	0.6
55.05507	2.1
56.96564	1.0
57.07083	0.7
59.04999	0.7
65.03938	0.7
67.05507	4.2
68.99788	0.4
69.03429	100.0
69.07055	1.4
70.03754	0.5
71.04985	1.6
71.34359	0.5
73.02557	0.3
75.26994	0.3
75.84225	0.3
79.05501	2.4
81.03405	0.6
81.07054	3.6
83.04978	6.1
83.08615	0.6
85.02905	0.5
85.06541	0.6
91.05481	8.1
93.07046	3.2
95.04971	2.2
95.08607	7.4
97.02912	0.3
97.06528	0.6
97.10169	0.4
103.05460	0.8
105.03368	0.4
105.07027	4.5
107.04959	0.7
107.08579	3.3
108.05753	0.4
109.02894	0.5
109.06519	2.6
109.10149	1.7
111.04442	1.2
111.08080	0.7
113.05956	0.4
115.96419	0.7
116.97253	0.3
117.07018	0.6
118.04148	0.6
119.04945	5.6
119.08578	4.7
121.02849	0.6
121.06531	1.8
121.10147	2.9
123.04425	1.6
123.08058	5.6
123.11711	1.1
125.09612	0.4
128.06163	0.3
131.04962	0.4
131.08620	0.5
133.06503	1.7
133.10129	2.5
133.97493	0.7
135.08026	0.7
135.11674	0.4
136.05205	1.1
137.05949	1.1
137.09610	2.8
137.13295	0.4
139.11179	11.1
143.08586	0.5
145.10080	0.8
146.03596	1.2
146.10869	0.4
147.04399	8.0
147.08047	1.1
147.11684	4.4
149.02373	3.1
149.05974	0.6
149.09624	3.3
151.07542	8.9
151.14781	0.4
156.09328	0.5
159.11600	0.4
160.05176	0.5
160.96016	0.4
161.02983	0.3
161.05984	1.4
161.09596	1.1
161.13246	2.4
163.03903	0.8
163.11179	1.1
164.04710	3.9
165.05440	0.3
165.09117	0.6
165.12727	1.2
171.10233	0.3
171.11649	1.1
174.03125	1.1
174.10452	0.3
175.03891	3.5
179.07037	3.3
179.08435	0.5
179.14258	0.6
183.10121	0.9
183.97647	0.6
189.05486	0.7
189.09079	1.1
189.12741	3.2
189.16425	1.1
191.03432	0.3
192.04170	1.9
192.09326	1.1
193.04884	1.0
207.03036	0.6
207.06520	11.2
207.10017	1.1
207.11760	1.2
207.13791	7.5
207.17424	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01868	2.3
55.05509	10.7
57.03426	3.5
57.07055	2.9
59.04988	4.8
63.86649	1.9
65.03957	2.6
67.05495	10.5
69.03430	17.9
69.07050	8.9
69.49812	14.2
71.04984	4.6
79.05502	11.2
81.07046	13.3
83.04987	13.2
85.02889	5.8
85.06528	2.1
91.05479	26.4
93.07046	18.5
95.04974	11.7
95.08605	23.2
97.06514	6.4
98.20797	3.4
103.05430	3.2
105.07035	55.7
107.04948	6.1
107.08592	21.2
109.06517	13.9
109.10171	9.9
111.08084	5.1
117.06970	4.7
119.04996	12.4
119.05685	2.0
119.08587	47.0
120.09396	1.8
121.06548	13.0
121.10148	17.2
123.04442	2.8
123.08081	23.3
123.11693	5.3
125.09605	8.9
128.06226	4.2
129.06990	3.5
130.07782	2.4
131.08546	7.1
133.06526	10.6
133.07401	1.8
133.09250	1.8
133.10107	11.7
135.04399	6.7
135.08029	7.2
135.11668	4.9
137.05960	2.4
137.09616	24.3
137.13193	2.4
139.07481	2.6
140.08789	1.8
142.07710	1.9
143.08562	4.8
145.06465	2.5
145.10123	15.9
147.04390	14.9
147.08054	13.0
147.11690	29.6
149.02296	3.6
149.09602	26.4
151.07532	11.1
156.09369	11.2
159.11699	13.4
160.08833	7.7
161.09593	14.7
161.13268	20.3
163.11179	43.8
164.04643	4.0
165.09039	2.2
165.12773	7.5
171.11697	12.7
174.10414	4.3
175.03894	5.1
177.12747	23.5
179.06966	6.5
179.14293	4.5
189.12769	24.1
192.04137	5.0
207.06573	14.6
207.13802	100.0
208.13292	2.7
209.46039	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	207.1744
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
51.02377	0.9
53.00296	1.5
53.03943	6.2
55.01868	6.1
55.05510	27.0
56.96548	2.8
57.03417	2.5
57.07068	5.1
59.05000	1.3
65.03926	3.1
67.05505	100.0
69.03426	8.3
69.07069	22.9
69.57800	6.3
71.04990	6.6
71.08644	0.9
79.05493	58.8
81.03420	19.3
81.07056	82.0
82.07381	1.0
83.04983	13.5
83.08614	13.3
85.02881	1.9
85.06533	4.3
87.31326	0.8
91.05478	37.5
92.05767	1.0
93.07041	45.3
95.04976	9.5
95.08606	98.3
97.06522	7.7
97.10149	4.7
99.08117	4.1
105.07036	23.2
107.03369	1.1
107.08591	43.8
109.01806	0.8
109.02776	0.8
109.06525	8.5
109.10152	25.7
111.08080	6.9
113.06020	1.0
115.96449	8.4
116.97176	1.7
117.06980	2.5
119.04936	8.3
119.08579	26.4
121.06476	3.1
121.10143	44.0
123.04409	1.8
123.08073	20.1
123.11710	7.7
125.05977	1.0
125.09595	3.5
129.69798	0.9
131.08543	3.9
133.06474	2.9
133.10124	17.0
133.97450	6.3
135.08073	1.8
135.11696	7.3
137.09583	7.4
137.13277	1.0
139.07524	1.2
139.11151	0.9
143.08516	1.0
145.10144	4.7
147.04405	17.0
147.08032	3.9
147.10533	1.5
147.11682	23.5
149.09607	13.7
149.13266	1.3
151.06398	0.9
151.07487	4.6
151.11147	2.6
156.09369	2.6
159.08150	1.3
159.11737	1.4
161.09552	1.6
161.13268	9.0
163.11151	3.8
163.14786	1.3
165.09058	2.4
165.12799	4.8
167.09006	1.4
171.11673	2.1
174.10379	1.5
175.03934	10.9
176.09622	1.3
177.12708	1.5
179.07008	1.3
179.08591	1.1
179.14346	1.3
189.12730	10.2
189.16373	11.1
192.04117	1.6
192.09312	2.6
193.04909	4.0
194.10634	1.2
207.02837	1.3
207.06512	7.5
207.09917	1.7
207.11748	3.1
207.13799	27.1
207.17422	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	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03940	3.5
55.05516	19.6
56.96554	4.5
57.03428	4.2
57.07063	11.0
59.85434	1.7
65.03934	5.5
67.05502	47.1
69.03433	15.6
69.07069	15.1
69.65126	8.8
71.04984	6.8
74.93824	1.9
79.05493	26.2
79.89455	1.6
81.03409	7.0
81.06602	3.3
81.07056	48.7
83.04971	10.4
83.08605	7.0
85.02906	4.9
85.06549	10.6
91.05472	36.3
93.06497	3.7
93.07043	49.3
93.07644	2.4
95.04968	9.3
95.08604	100.0
96.08940	2.3
97.06532	7.0
97.10174	2.0
103.05443	2.8
105.07027	52.4
107.04915	3.1
107.08585	82.1
109.06528	13.1
109.10158	26.7
111.04510	1.9
111.08070	6.9
113.05994	2.6
115.96437	18.2
116.97207	8.4
117.07007	3.4
119.04926	12.3
119.08582	68.1
121.06499	9.6
121.10139	36.3
121.12003	2.1
123.04366	2.4
123.08070	48.6
123.11713	20.2
124.66263	1.8
125.09621	3.0
127.07592	2.2
129.06944	2.3
131.08566	9.6
133.06503	4.3
133.10127	48.4
133.97455	15.4
135.08060	4.8
135.11691	90.7
135.16083	1.8
137.09599	20.8
137.13261	4.0
143.08551	5.1
145.10106	10.5
147.04419	30.9
147.08096	9.1
147.11688	48.4
149.09612	29.7
149.13229	11.3
151.05634	2.3
151.07549	8.5
151.11131	13.7
151.14883	1.8
156.09314	3.0
156.99043	3.1
159.07977	2.3
159.11725	2.7
160.12361	1.9
161.09590	3.8
161.13263	27.4
163.11176	12.1
163.14851	14.1
165.05418	2.2
165.09019	2.4
165.12749	11.4
171.11728	5.4
174.10359	4.5
175.03934	17.3
177.12753	3.7
179.07033	3.9
179.14337	1.9
184.00134	2.8
189.12775	25.4
189.16379	74.7
192.04269	2.2
192.09286	3.3
193.05000	6.7
207.02910	2.8
207.06485	8.3
207.09950	2.5
207.11859	2.9
207.13794	56.8
207.17453	73.0
207.19318	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	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
52.25115	2.6
53.03934	2.7
55.05499	7.1
57.07085	4.8
58.01443	2.6
67.05514	13.1
69.03440	4.0
69.07063	10.0
70.84198	5.4
71.04993	5.1
79.05501	11.5
81.07050	18.8
83.04975	2.8
83.08605	3.9
85.06544	4.5
91.05490	15.0
93.07040	28.7
95.04912	2.7
95.08604	34.9
97.06554	3.9
105.07028	30.0
107.08591	61.8
109.06503	7.1
109.10147	14.6
115.96464	2.9
116.81905	2.4
119.04952	6.1
119.08583	36.0
121.06490	3.3
121.10134	14.0
123.08062	16.3
123.11692	10.4
131.08569	2.7
133.10132	45.1
133.97444	4.7
134.23254	2.6
135.11691	100.0
136.16725	2.5
137.09608	9.9
145.10114	5.1
147.04425	10.1
147.11693	33.9
149.09624	9.3
149.13287	12.2
151.11147	14.6
161.13284	9.0
163.11212	3.4
163.14809	18.2
165.12759	5.4
175.03922	6.8
189.12762	7.0
189.16385	83.2
207.06577	2.9
207.13873	13.6
207.17450	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03945	9.3
55.01872	17.4
55.05513	6.2
57.03429	2.6
59.04991	1.6
61.02913	1.4
65.03942	14.1
66.04703	1.5
67.05501	15.0
67.12323	1.1
69.03421	3.5
69.07066	10.3
69.30923	3.8
69.31345	5.7
71.04992	5.3
74.68401	1.2
75.04475	11.2
77.03936	2.4
78.04708	13.9
79.05495	17.6
81.03421	5.3
81.07056	7.6
82.04179	2.0
83.04971	3.9
83.08588	1.1
85.02897	8.2
85.06522	1.2
89.03902	7.1
89.06007	2.8
91.05479	49.5
92.05817	1.1
93.03405	31.5
93.07040	26.5
93.07465	0.7
95.04970	27.2
95.08598	8.5
96.05700	1.1
97.06532	11.9
98.21498	2.3
99.04431	1.2
103.05470	23.5
105.03368	2.8
105.04520	3.4
105.07043	7.9
106.04170	80.0
107.04975	11.5
107.08594	13.7
108.05667	1.4
109.02875	9.4
109.06509	9.0
109.10142	4.1
110.03625	1.4
111.04443	3.1
111.08068	2.4
117.03395	5.0
117.07028	1.2
118.04177	2.1
119.04925	4.8
119.08620	2.1
120.05714	2.2
121.06501	87.8
121.10120	10.2
122.07350	2.0
123.04440	5.3
123.08075	4.5
124.05210	2.3
125.05993	20.8
125.09595	2.3
131.04938	7.7
131.08578	3.5
133.02795	1.6
133.06499	1.5
133.10124	5.2
134.03613	14.6
135.04424	7.4
135.08078	5.6
135.11708	3.5
137.05960	11.8
138.06767	3.8
139.07520	5.6
145.02847	6.8
145.10098	3.4
147.04433	2.3
147.11661	8.1
148.05179	9.9
149.05978	100.0
149.09660	2.4
149.13260	6.9
150.06323	1.5
151.03909	1.5
151.07544	4.8
151.11172	3.0
152.08249	1.3
153.05466	6.9
153.09103	18.4
159.04364	2.3
161.09579	1.7
161.52011	1.0
163.03908	2.2
163.07610	6.1
163.11211	2.6
163.14859	1.7
163.55435	1.1
165.05502	5.1
165.12753	2.6
166.06241	3.7
167.07042	4.8
173.13289	5.6
177.01999	1.4
177.05476	45.2
181.05051	1.9
181.08585	19.0
181.10069	2.0
184.60542	1.2
191.07065	6.0
191.10622	1.7
191.14316	15.2
194.05685	1.1
209.08058	24.5
209.09975	1.7
209.11644	2.2
209.15308	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03945	8.0
55.01871	27.1
59.04999	2.7
65.03923	1.9
67.05508	9.6
70.47829	1.3
71.05015	2.0
75.99824	1.2
77.03941	3.1
79.05494	43.0
81.03425	10.2
81.07052	2.2
83.04987	2.6
85.63919	1.5
87.04461	2.8
91.05480	15.6
93.07048	21.9
94.04115	1.5
95.01333	2.7
95.04972	25.5
95.08589	5.0
97.06551	1.5
99.04461	2.0
103.05465	13.7
105.03389	4.8
105.04527	1.5
105.07008	3.5
106.04203	1.7
107.04955	76.7
107.08569	1.9
109.02879	100.0
109.06513	14.3
111.04459	5.9
111.08081	2.4
118.86170	1.4
121.06506	37.9
123.04427	7.0
123.08023	1.5
125.02303	1.6
125.05982	3.1
127.03860	1.6
131.04924	5.8
133.02882	2.7
135.04413	12.0
137.05984	5.9
139.03880	8.1
139.07542	3.9
141.05463	11.3
149.05981	26.6
149.09613	3.8
151.03944	7.2
151.11168	4.1
153.05505	2.8
153.09138	1.6
159.04466	3.4
165.05472	26.4
167.07040	39.5
173.13297	1.8
177.05461	31.2
181.08623	2.0
191.07027	1.8
191.14302	1.9
195.06519	2.1
209.08141	6.8
209.15356	3.0
212.18996	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	209.0807
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02381	1.9
53.03951	9.4
55.01873	27.6
55.05510	1.9
57.91742	1.0
59.04995	2.3
63.28872	1.0
64.78336	1.1
67.05505	11.0
69.22726	2.6
69.23142	8.6
71.01324	2.4
77.03929	1.7
79.05493	43.3
81.03415	13.6
81.07044	2.1
87.04465	1.7
91.04919	1.5
91.05480	20.6
93.07047	18.1
94.04185	1.6
95.01347	2.3
95.04401	1.9
95.04966	24.6
95.08585	4.0
98.20806	2.3
103.05467	17.0
105.03405	5.9
105.04505	4.1
105.07028	3.9
107.04957	72.6
109.02881	100.0
109.06519	10.9
110.03146	1.5
111.04439	5.5
111.08041	1.4
113.29436	1.1
117.26052	1.1
121.06506	29.4
123.00785	1.6
123.04469	6.3
125.05974	1.6
127.03920	1.1
131.04904	4.4
133.02855	3.3
135.04419	9.7
137.05975	4.3
139.03914	8.5
139.07564	2.9
141.05452	11.7
149.05986	23.7
151.03891	3.9
153.05464	5.5
159.04425	3.2
165.04210	1.8
165.05481	25.0
167.07047	42.1
168.70802	1.1
177.05473	27.6
181.08598	1.4
195.06627	1.8
209.08081	7.4
222.47078	1.1
225.96176	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02389	1.1
53.03950	10.0
55.01873	32.9
55.05507	6.9
56.96560	2.4
57.03426	1.6
57.07082	1.6
59.04992	2.2
59.84602	1.0
65.03941	3.1
67.05505	12.9
69.03423	2.7
69.07072	4.2
71.01363	4.6
71.01855	1.1
71.04996	3.2
77.03923	2.1
79.05493	57.3
81.03424	15.1
81.07034	6.0
83.04989	4.9
87.04472	4.0
91.05478	29.7
93.03411	1.7
93.07047	29.6
94.04211	1.8
95.01343	2.9
95.04967	30.3
95.08611	6.3
97.02917	2.1
97.06530	2.9
99.04444	1.6
103.05470	15.4
105.03394	6.3
105.04512	2.7
105.07027	8.8
106.04135	2.0
107.04958	85.6
107.08598	10.6
109.02879	100.0
109.06523	15.5
109.10169	2.6
111.04422	6.7
111.08094	3.2
116.98604	1.4
119.04937	2.9
119.08572	3.4
121.06506	43.7
121.10153	6.4
123.04416	7.3
123.08108	1.6
125.02426	1.3
125.05958	2.9
125.09621	1.3
131.04953	8.7
131.08569	14.6
133.02899	2.3
133.06474	1.5
133.10155	2.0
135.04419	10.7
135.08038	2.5
135.11650	1.7
137.05998	6.3
139.03911	8.2
139.07564	4.8
141.05470	13.0
145.10133	4.9
147.04417	2.1
148.05185	1.2
149.05984	29.8
149.09608	14.2
151.03946	5.1
151.11169	1.7
153.05438	9.5
153.09074	1.8
155.05508	1.5
159.04417	2.5
163.11220	4.8
165.05469	27.4
167.07040	43.2
167.10733	1.1
167.14294	1.3
175.75810	1.1
177.05482	30.4
181.04849	1.2
181.08632	1.6
191.07068	2.2
191.10667	4.0
191.14296	2.4
195.06572	2.3
198.78984	1.2
209.06271	1.8
209.08087	10.8
209.11768	8.4
209.15392	4.1
224.98497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	1.6
55.01861	1.9
55.05513	60.3
56.93971	1.1
57.03426	2.0
57.07069	1.8
59.04985	3.2
65.03902	1.0
65.14414	0.8
67.05502	6.0
69.03415	4.1
69.07068	10.0
70.46707	3.0
71.04996	5.3
79.05495	9.9
81.03399	0.9
81.07059	12.7
82.06577	4.6
83.04984	63.1
83.08620	33.4
83.09988	1.0
84.08112	1.5
85.06532	3.9
91.05479	7.3
93.07044	30.4
95.04968	75.0
95.08594	8.5
97.06532	10.3
97.10152	5.0
98.97567	1.2
99.03858	1.4
99.04453	14.1
99.08093	1.7
100.11260	9.4
105.07030	8.7
107.04928	1.4
107.08595	40.4
109.06522	25.6
109.07143	0.7
109.09496	1.5
109.10163	20.1
110.06005	2.1
111.08064	8.8
113.09657	2.2
119.08584	4.9
121.06574	1.9
121.10146	100.0
122.10487	1.5
123.08048	2.2
123.11703	9.0
124.16024	0.8
125.09640	10.5
126.09173	1.6
131.08560	1.8
133.10130	9.7
135.08060	3.1
135.11684	5.1
139.08649	1.4
145.10097	1.8
149.02361	1.2
149.05951	2.2
149.09633	1.6
149.13243	6.2
151.11185	27.8
153.09105	21.8
158.99721	1.2
163.14828	20.5
166.02510	1.0
167.14319	49.5
173.13245	5.1
177.05482	2.3
182.76799	0.9
191.14307	12.3
194.02116	4.0
209.04433	5.1
209.07957	1.5
209.15218	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	209.1535
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
55.05510	32.3
57.03435	1.5
57.07069	1.4
59.04995	1.2
67.05490	5.1
69.03427	3.3
69.07067	9.1
71.04977	2.8
71.33614	1.3
71.33972	1.3
72.06198	1.1
79.05488	5.7
81.07057	9.4
83.04977	41.9
83.08617	20.8
85.06538	1.3
91.05447	5.9
91.80160	1.2
93.07039	26.9
95.04963	34.7
95.08599	5.9
97.06540	4.8
97.10159	3.3
99.04443	8.0
99.08124	1.4
105.07022	4.8
107.08595	31.6
107.09325	1.7
109.06509	9.8
109.10156	11.4
111.08129	5.6
113.09659	1.9
119.08555	4.4
121.10142	100.0
123.08035	2.1
123.11716	7.3
125.09654	6.1
133.10136	4.8
135.11687	3.6
149.13268	4.4
151.11180	21.2
153.09091	9.8
163.14818	23.0
167.14319	38.2
173.13254	4.8
191.14334	11.2
209.15363	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	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03941	1.9
55.01874	3.7
55.05512	75.4
57.03435	2.1
57.07071	2.7
58.08078	0.8
59.05012	4.5
61.09517	1.0
67.05512	11.8
67.69514	0.9
69.03436	6.4
69.07076	5.7
70.95427	2.0
71.04984	3.7
79.05495	8.2
81.07059	16.2
83.04982	100.0
83.08622	33.9
85.06544	3.0
91.05504	5.7
93.07058	10.8
95.04968	17.6
95.08621	8.2
97.06532	11.3
97.10168	8.2
99.04462	4.1
99.08079	1.7
103.05445	1.6
105.07030	5.7
106.04193	1.8
107.04971	4.3
107.08595	21.4
109.02885	7.1
109.06522	33.4
109.09401	1.5
109.10159	26.8
111.04463	1.2
111.08094	9.9
112.08880	1.0
113.09657	1.6
119.08600	1.8
121.06517	3.7
121.10145	13.0
123.08062	2.6
123.11708	10.4
125.09630	16.1
126.43179	0.9
131.08589	3.4
133.10135	9.6
135.08080	2.6
135.11659	1.1
137.09627	1.0
141.05534	1.0
145.10136	1.4
149.06012	3.8
149.09651	4.4
149.13263	8.1
151.11183	33.9
153.09109	10.2
163.14818	2.2
165.05464	2.0
167.07036	2.9
167.14320	66.8
173.13229	4.5
177.05524	2.9
191.14267	5.4
209.15370	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	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03941	1.5
55.05501	3.6
57.07054	1.9
57.97033	0.9
59.04995	1.7
60.80013	0.9
67.05504	5.5
69.03425	13.9
69.07066	4.7
69.25830	0.8
71.45017	1.9
79.05484	3.8
81.03411	9.7
81.06610	1.1
81.07050	9.9
83.04972	3.5
83.08578	0.9
91.05467	3.0
92.51971	1.0
93.07027	3.4
95.04961	7.0
95.08607	10.3
97.06532	1.0
99.08042	1.3
105.07032	6.1
107.05029	0.9
107.08588	11.3
109.06522	11.7
109.10172	1.0
119.08587	5.7
121.06470	1.3
121.10140	13.8
123.08054	13.1
123.11697	9.0
131.08630	1.2
135.08028	2.2
135.11714	0.9
137.09607	4.9
137.13293	1.7
145.10080	1.1
147.11656	3.9
149.09618	10.2
149.13283	7.2
151.11208	4.7
165.12749	100.0
173.13248	1.1
177.05540	1.1
191.14276	2.7
209.15359	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01855	1.9
55.05500	4.8
57.07081	2.4
67.05501	11.9
69.03429	8.6
69.07078	7.3
70.08210	1.1
79.05074	1.9
79.05496	18.2
81.03414	2.0
81.07055	28.7
83.04957	3.0
83.08636	2.1
85.06517	1.3
88.89034	1.3
91.05481	16.4
93.07050	11.3
95.04958	4.0
95.08614	10.5
97.06532	2.3
98.21539	2.8
103.05482	1.7
105.07033	11.7
106.04190	2.1
107.04945	4.9
107.08593	48.6
108.08907	1.2
109.02865	2.8
109.06521	11.0
109.10149	9.6
115.05453	4.7
117.07005	6.0
119.08590	6.5
121.06520	7.1
121.10140	24.7
122.07292	8.7
123.08047	4.5
123.11665	2.4
125.09637	5.0
131.08569	4.0
133.10124	100.0
135.08051	22.4
135.11702	2.2
137.09618	77.7
145.10130	3.1
147.11664	5.0
149.06006	3.4
149.13271	19.8
151.11229	1.7
153.09119	2.2
158.10959	1.4
161.16876	1.2
163.14824	4.8
163.97493	1.2
165.12717	3.3
167.07077	1.5
169.92267	1.2
173.13280	10.3
177.05449	2.7
191.14308	16.8
209.15312	11.4
229.08124	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.47352	1.4
55.05512	12.2
57.03445	1.5
57.07084	1.4
59.04985	1.9
67.05508	9.6
69.03435	10.4
69.07066	14.1
71.05010	7.1
71.23263	3.2
78.19868	1.2
79.05490	9.1
81.07058	16.0
83.04980	19.4
83.08618	8.7
85.06541	1.7
90.83489	1.2
91.04994	1.3
91.05461	6.8
93.07043	12.9
95.04965	24.2
95.08607	31.8
97.06554	7.5
99.04456	2.7
99.07487	1.3
99.08099	4.3
105.07028	9.5
106.04161	1.5
107.04980	3.5
107.08594	38.5
109.02858	2.8
109.06513	9.9
109.10159	15.1
111.08060	6.0
113.09688	1.6
117.07030	1.9
119.08588	5.3
121.06500	8.6
121.10151	34.6
123.08069	6.8
123.11707	4.5
125.09623	10.0
131.08571	5.3
133.10143	18.2
135.08066	17.3
135.11694	5.3
137.09621	2.9
139.11209	3.9
143.08553	1.7
145.10126	3.6
147.08078	1.5
147.11650	9.6
149.05952	2.4
149.09618	10.4
149.13275	19.1
151.11183	100.0
153.09122	4.8
158.10930	3.6
163.14775	8.8
165.12737	6.9
167.14287	4.9
173.13268	16.6
174.28302	1.2
191.14308	44.4
209.15337	14.3
225.06662	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03929	4.3
53.90584	3.3
53.90954	3.3
55.01873	6.1
55.05513	6.1
62.47126	3.5
67.05502	9.7
69.03422	5.8
69.07060	4.1
78.33868	3.8
79.05488	15.7
79.54775	4.0
81.07054	18.1
83.04967	4.2
91.05481	18.6
93.04221	4.2
93.07042	14.0
95.04984	6.6
95.08604	13.2
97.06487	3.3
98.20790	7.5
105.07022	13.9
105.63128	4.0
106.04202	5.8
107.04946	11.0
107.08590	36.9
109.02876	11.7
109.06504	14.9
109.10162	15.2
115.05488	5.1
117.07072	5.9
118.20095	5.1
119.08579	8.3
121.06484	12.6
121.10149	14.0
122.07268	8.7
123.11749	4.1
133.10118	100.0
133.11124	5.3
135.08092	21.0
137.09613	89.7
147.11699	4.7
149.05992	8.0
149.09602	3.9
149.13211	24.6
173.13220	8.9
177.05444	8.4
190.58220	3.6
191.14278	10.9
209.15312	10.8
229.18147	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01840	0.7
55.05520	5.0
57.03448	0.8
57.06843	0.9
57.07074	9.1
59.04996	0.9
67.05505	8.0
69.03430	17.3
69.07060	4.4
70.84579	1.4
70.84949	1.2
71.04972	1.0
79.05494	5.6
81.07061	10.4
83.04510	1.2
83.04984	16.5
83.08607	1.8
85.06549	7.6
91.05486	5.1
93.07044	5.2
95.04960	1.9
95.08614	9.0
97.06516	2.7
99.08091	1.0
105.07037	5.5
107.04940	1.6
107.08597	25.6
109.06516	11.2
109.10150	3.2
111.04436	0.9
111.08083	10.0
117.07005	0.8
119.06036	0.7
119.08574	4.5
121.06490	2.0
121.10148	10.8
123.08076	5.3
123.11727	4.3
125.09636	64.9
131.08586	6.7
133.10120	6.9
133.21582	0.7
135.08061	15.1
135.11693	5.8
137.09593	1.7
137.13284	0.9
143.08551	1.1
144.09309	0.7
145.10126	3.2
147.11656	4.1
149.06009	1.8
149.09634	6.3
149.13257	8.9
150.10425	1.3
151.11208	3.9
153.09116	11.7
158.10898	3.1
163.11180	3.1
163.14825	4.6
165.12753	13.8
173.13266	18.6
176.11946	1.1
191.14311	90.5
192.14684	1.6
209.15373	100.0
210.15703	0.8
215.89293	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	2.1
53.38842	0.5
55.01868	2.3
55.05497	2.7
57.07059	2.2
59.04991	1.9
65.03940	1.5
67.05501	6.1
69.03429	15.4
69.07069	5.6
69.58562	2.5
69.58965	0.9
71.01365	0.6
71.04971	1.1
78.04717	1.1
79.05495	8.7
81.03415	11.3
81.07055	10.6
83.04979	5.5
83.08606	1.4
83.29601	0.5
85.02930	1.0
91.05475	6.8
93.03405	1.7
93.07046	7.7
95.04967	10.1
95.08607	11.7
97.06555	1.3
99.08069	1.5
103.05464	2.2
105.07027	8.4
106.04181	3.9
107.04951	4.9
107.08591	11.8
108.05747	1.0
109.02883	6.3
109.06514	14.0
109.10124	1.7
111.04449	1.0
111.08074	1.2
119.08579	7.0
121.06511	7.8
121.10145	15.3
123.04455	0.7
123.08070	14.2
123.11702	9.8
125.05981	1.3
125.09622	1.4
131.04893	1.5
131.08513	1.5
133.07669	0.6
133.10115	1.6
134.03615	0.7
135.04428	0.7
135.08041	1.6
135.11707	1.5
137.05952	1.5
137.09596	4.3
137.13248	2.9
145.10133	1.0
147.11639	3.4
149.05977	5.9
149.09616	10.2
149.13274	7.3
151.07373	0.7
151.11166	6.9
153.09151	0.8
163.11166	0.8
163.14807	1.4
165.05473	1.0
165.12750	100.0
166.00949	0.5
166.13092	1.6
166.29369	0.6
167.07033	2.2
172.40312	0.6
173.13254	1.5
177.05499	4.6
191.14294	4.0
194.00473	0.8
209.08070	2.4
209.09875	0.9
209.15363	38.2
215.51189	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02384	0.6
53.03947	1.8
55.01870	6.1
55.05511	4.7
56.96557	0.6
57.03437	0.7
57.07069	5.4
59.05003	1.7
59.84567	0.6
65.03942	1.3
67.05502	8.6
69.03432	4.2
69.07070	6.2
69.95492	2.5
71.01350	0.8
71.04987	3.8
75.04488	1.3
76.24065	0.5
78.04728	1.5
78.98369	0.7
79.05493	13.2
81.03425	4.1
81.07055	10.9
83.04971	5.8
83.08615	2.1
85.02898	1.6
85.06554	1.4
87.04475	1.8
89.03930	0.8
91.05481	12.4
93.03399	3.1
93.06498	1.1
93.07047	15.0
95.04960	12.7
95.08602	12.4
97.02882	1.3
97.06535	4.9
97.56287	0.6
99.04452	1.0
99.08104	1.0
103.05462	4.4
105.03396	1.0
105.04512	0.7
105.07027	6.2
106.04175	9.0
107.04965	11.8
107.08596	15.7
109.02876	14.9
109.06516	100.0
109.10155	9.0
110.06792	0.6
111.04432	1.2
111.08071	3.7
117.03382	0.8
117.06997	1.3
119.04900	0.9
119.08572	2.4
121.06501	17.3
121.10127	10.7
122.07318	0.6
123.04427	1.5
123.07249	0.8
123.08067	8.9
123.11687	2.0
125.05995	3.3
125.09628	3.2
129.07047	0.7
131.04926	1.8
131.08575	6.4
133.06499	0.9
133.10121	6.5
134.03606	2.0
135.04384	2.0
135.08057	21.6
135.11690	2.7
137.05957	2.3
137.09601	2.2
138.06584	0.7
139.03842	1.0
139.07509	1.8
139.11165	0.8
141.05470	1.9
143.08551	0.7
145.02782	0.6
145.10147	2.7
147.04408	0.7
147.08112	1.3
147.11691	3.1
148.05183	1.5
148.08780	0.5
149.02292	0.8
149.04813	0.9
149.05984	15.7
149.09618	5.5
149.13251	8.2
150.10364	1.7
151.03883	0.8
151.07503	0.9
151.11174	20.3
153.05472	1.6
153.09108	7.1
158.10892	1.4
159.04449	0.9
161.09549	0.8
163.03883	0.8
163.07568	0.7
163.11130	1.8
163.14819	2.3
163.87737	0.6
165.05458	3.4
165.06836	1.1
165.12775	5.2
167.07043	6.4
167.14307	1.5
173.09555	1.1
173.13268	8.3
176.11922	1.1
177.05463	10.0
181.04904	0.7
181.08548	2.5
181.09972	0.7
191.07025	0.9
191.10680	1.1
191.14305	28.7
209.04347	0.9
209.08060	4.2
209.09839	1.0
209.11674	1.9
209.13524	1.0
209.15341	18.1
210.15701	0.5
220.32538	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03949	6.9
55.01874	20.2
55.05513	42.4
57.03438	4.2
57.07076	10.4
59.05006	1.4
60.26014	0.7
65.03932	4.4
65.05208	0.8
67.05506	56.3
69.03434	20.2
69.07070	26.9
69.21999	0.7
69.38817	6.7
71.01347	1.2
71.04990	7.4
73.02914	4.0
77.03940	1.2
79.05496	78.6
79.21648	0.8
81.03423	9.7
81.07058	57.6
83.01353	1.5
83.04982	26.8
83.08620	21.6
85.02909	1.5
85.06537	7.9
87.04471	2.6
91.05487	34.8
93.03411	2.3
93.07046	92.9
94.07366	1.4
95.04974	24.8
95.05586	1.5
95.08609	100.0
95.84932	0.9
96.08911	0.8
97.02905	10.0
97.06538	11.4
97.10178	2.5
99.04462	9.1
99.08086	1.4
103.05474	6.2
105.04540	2.2
105.07037	25.1
106.04165	3.8
107.04226	1.0
107.04962	29.8
107.08596	75.3
109.02870	7.8
109.06513	16.5
109.10147	7.5
111.04440	5.1
111.08089	11.5
113.06081	0.9
115.05490	2.0
116.06254	0.9
117.07027	23.7
119.06046	0.9
119.08588	19.8
121.05782	0.6
121.06503	20.7
121.10145	27.7
123.04414	1.6
123.08086	5.9
123.11726	3.7
125.06020	5.4
125.09635	51.3
127.07551	0.8
127.12771	0.8
128.06313	1.1
129.07031	1.9
130.07796	6.2
131.04904	1.3
131.08549	6.6
133.10124	12.4
134.07243	1.3
135.04437	0.7
135.07024	1.2
135.08063	18.6
135.11693	71.3
136.12061	0.8
137.06009	1.1
137.09627	1.6
137.13261	0.8
139.07541	3.1
139.64867	0.8
141.05479	1.0
143.08565	3.2
145.06479	1.1
145.10126	50.4
147.04482	0.8
147.11676	3.8
149.05966	6.6
149.09618	7.8
149.13275	7.7
150.10423	1.8
151.11208	4.5
153.09122	10.5
153.12759	2.1
155.08536	1.0
158.07303	0.8
158.10904	3.9
161.09639	1.3
163.11185	58.9
163.14781	4.7
164.11517	1.0
165.05487	1.7
165.12767	12.5
167.07051	2.2
169.02066	0.8
173.09665	2.3
173.13274	15.4
176.11964	1.5
177.05501	5.7
181.12190	3.8
191.14314	75.8
192.14709	0.8
209.08005	1.8
209.15366	82.3
210.15608	0.9
227.12796	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01861	5.0
55.05500	8.2
57.07058	7.6
59.04995	4.7
65.03941	2.9
67.05502	15.1
69.03432	20.9
69.07085	11.4
69.79449	10.9
71.04971	2.7
78.04705	2.9
79.05502	28.0
81.07057	46.6
83.04977	16.4
83.08607	4.2
85.06527	7.6
90.44016	2.1
91.05486	18.4
93.03382	3.0
93.07043	23.6
94.06220	2.3
95.04971	4.8
95.08618	20.0
97.02907	2.8
97.06525	6.8
97.10154	2.8
98.20762	2.8
101.33971	2.2
103.05451	2.8
105.07028	13.3
105.08213	2.4
106.04152	6.9
107.04960	6.8
107.07903	4.3
107.08600	78.0
109.02880	5.6
109.06516	13.7
109.10134	8.2
111.08078	8.6
119.08578	9.0
121.06531	12.3
121.10154	24.5
122.07272	3.3
123.08049	7.3
123.11686	5.0
125.09636	49.3
125.10572	2.9
131.08560	8.7
133.10126	32.3
135.08057	19.9
135.11652	6.1
137.09586	20.2
142.01802	2.2
145.10121	6.3
147.11659	8.6
149.06001	7.7
149.09599	9.8
149.13249	14.2
150.10315	2.8
151.11179	5.3
153.09120	10.4
163.11253	3.9
163.14819	10.1
165.12737	17.6
173.13243	23.0
177.05469	4.7
191.14313	100.0
209.15370	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	2.5
55.01868	4.2
55.05511	5.8
57.03445	1.7
57.07072	2.6
59.05000	2.6
65.03920	1.4
67.05507	9.7
69.03429	13.2
69.07063	7.0
71.01342	1.0
71.05000	3.5
71.08799	1.6
77.03905	0.8
78.04750	0.8
78.53596	0.6
79.05491	11.0
81.03419	12.6
81.07053	12.1
83.04977	7.4
83.08619	2.6
85.02908	1.4
85.06522	1.1
87.04478	2.2
91.05478	8.7
93.03407	1.9
93.07040	10.5
95.04968	34.5
95.08607	12.4
97.02888	1.0
97.06528	3.7
97.10149	0.7
97.99165	0.6
99.04441	3.8
99.08101	1.9
103.05471	2.6
103.70749	0.7
105.07033	7.7
105.14932	0.7
106.04160	4.6
107.04955	7.3
107.08585	14.8
109.02885	10.0
109.06519	20.8
109.10152	4.1
111.04426	0.8
111.08096	2.7
117.07036	1.2
119.08582	7.2
121.06502	8.6
121.10140	19.3
122.07231	0.7
123.04410	0.9
123.08070	13.4
123.11699	9.0
125.06007	1.4
125.09650	3.2
131.04991	1.4
131.08553	2.1
133.07610	0.6
133.10138	5.9
134.03625	0.9
135.04413	1.6
135.08080	4.1
135.11674	2.2
137.05989	1.3
137.09636	4.1
137.13268	1.7
139.03859	0.7
141.05438	1.3
143.89745	0.7
145.10127	2.6
147.11659	4.7
149.05971	9.6
149.09625	11.2
149.13248	8.6
151.07500	0.6
151.11188	8.0
153.05513	1.3
153.09109	9.9
159.04410	1.1
163.07520	1.4
163.11201	2.6
163.14827	2.2
165.05511	1.7
165.12753	100.0
166.13069	1.5
167.06993	3.7
167.14351	1.8
171.21727	0.6
173.13255	3.3
177.05478	8.3
181.08633	1.2
191.10698	1.2
191.14316	9.0
209.04425	1.4
209.08084	2.5
209.11906	1.9
209.15364	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	209.1649
Annotation	Ammodendrine
Peak:m/z	Relative Intensity
55.05514	2.0
56.05030	1.1
56.96558	0.5
65.03954	0.3
67.05503	1.8
69.03447	0.5
70.06611	2.0
70.74036	0.8
72.08084	0.3
76.51482	0.3
78.87913	0.3
79.05503	2.1
79.07814	0.3
81.07055	3.5
82.06569	0.5
83.04974	1.9
83.08630	0.8
84.08145	31.1
85.08437	0.4
91.05473	1.4
93.07060	1.2
94.02973	0.3
95.04971	1.4
95.08617	0.6
97.06507	0.3
98.06070	0.6
98.09689	1.0
98.97575	0.3
100.07648	0.3
103.05491	0.9
104.79326	0.3
105.07039	0.6
107.04962	0.8
107.08593	1.6
108.08106	0.5
108.25184	0.3
109.02899	0.6
109.06514	0.8
110.06040	0.3
110.09665	0.6
111.08094	0.4
112.07630	1.3
112.11253	0.3
119.04971	0.3
119.08601	0.4
121.02922	0.3
121.06496	0.6
121.10147	1.6
122.09642	0.5
123.11761	0.3
124.11221	0.4
125.09566	0.5
126.09158	100.0
127.09501	1.1
131.04942	0.3
133.10072	0.4
134.09666	0.4
135.04436	0.5
136.07568	0.3
136.11223	1.2
138.09143	0.6
138.12779	0.8
140.04875	0.3
147.05525	0.3
148.11200	0.9
149.02338	2.3
149.05965	0.9
150.09154	2.3
150.12756	1.9
151.11212	0.7
153.05499	1.1
153.09129	0.4
164.10716	2.1
164.14314	2.1
167.07045	0.3
167.14307	1.1
174.12740	1.5
177.05447	1.6
178.12239	1.5
180.13855	0.9
181.04999	1.7
190.92451	0.3
191.15495	0.7
192.13841	11.2
194.02162	1.2
205.03806	0.5
209.04477	2.7
209.16504	100.0
210.16838	2.7
216.61720	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	209.1901
Annotation	6,10-dimethyl-9-methylene-5E-undecen-2-one
Peak:m/z	Relative Intensity
53.03941	7.2
53.78257	1.7
55.01872	16.8
55.05511	25.2
56.96560	8.9
57.03425	2.0
57.06811	1.9
57.07072	30.3
59.05007	13.0
65.03931	3.0
67.05503	28.2
67.23804	1.4
68.99786	1.7
69.03423	10.2
69.06748	1.5
69.07071	20.7
69.52905	6.0
69.53327	4.0
70.06591	1.6
71.01334	4.2
71.04977	5.9
71.08603	4.9
76.99171	1.4
79.05493	31.9
81.03415	13.1
81.06616	2.0
81.07059	31.0
81.07526	1.8
83.04513	2.1
83.04979	28.5
83.08160	2.4
83.08620	26.1
85.06554	7.6
85.10185	23.8
87.04471	3.4
91.05477	22.2
93.07043	32.2
95.04970	19.9
95.07996	2.7
95.08608	50.8
97.02876	5.2
97.06535	14.4
97.10154	5.7
99.04485	2.6
99.08081	2.1
101.09640	1.9
103.05466	8.8
105.03394	4.0
105.07023	12.2
106.04165	2.3
106.22543	1.6
107.04956	34.5
107.08595	40.3
109.02158	2.5
109.02876	40.9
109.06516	20.7
109.10149	26.7
111.04434	5.6
111.08075	19.1
111.11653	2.0
113.09673	2.7
117.06998	4.5
117.95969	3.3
119.04945	2.2
119.05953	1.5
119.08575	6.7
121.06496	19.7
121.10153	24.8
123.04455	3.0
123.08067	7.5
123.11691	9.6
125.06009	2.4
125.09626	38.6
127.07552	1.7
131.04919	3.8
131.08548	5.6
133.02881	1.6
133.10170	8.8
135.04384	5.7
135.08058	9.2
135.11691	32.1
135.96983	4.5
137.05977	2.5
137.09625	3.7
137.13303	2.2
139.03879	2.8
139.07526	2.9
139.11176	4.4
141.05429	5.9
145.10086	5.2
147.04451	1.8
147.11691	4.0
149.02383	2.4
149.05975	13.6
149.09602	7.4
149.13264	10.7
151.03905	2.0
151.07585	1.7
151.11166	13.7
151.14847	2.7
153.05463	5.7
153.06947	2.0
153.09077	4.1
153.12732	31.3
163.03912	1.5
163.11197	6.7
163.14851	2.5
163.97705	1.4
165.05539	7.2
165.06703	1.8
165.12752	12.0
167.07074	15.4
167.14304	18.0
173.09698	2.2
173.13330	7.0
177.05463	19.1
179.08432	3.4
181.10016	1.5
181.98851	2.0
191.10654	4.0
191.14337	16.0
191.17931	5.7
194.02148	2.2
194.10852	3.1
195.06500	2.6
207.89371	1.9
209.04366	11.5
209.06085	3.7
209.08052	4.1
209.09616	5.0
209.11713	9.8
209.13332	6.0
209.15375	53.7
209.18991	100.0
210.15434	1.7
210.50179	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	210.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90075	2.7
53.03965	13.9
53.28532	2.8
54.04268	7.7
55.01877	50.8
56.02204	12.7
59.05007	3.0
67.05493	13.1
68.05836	8.2
70.56902	2.7
70.63313	5.4
70.63686	7.0
71.01349	10.5
77.03925	2.9
79.05493	54.8
80.05829	50.3
81.03423	18.1
81.07044	4.6
82.03748	10.5
82.07404	4.3
83.04986	2.8
86.52554	2.9
91.05489	19.7
92.05806	29.1
93.07043	20.0
94.07388	31.3
95.01321	5.5
95.04975	33.8
95.08601	4.3
96.01676	5.6
96.05302	29.2
96.08928	5.7
98.06833	3.8
103.05470	11.1
104.05803	28.3
105.03394	5.7
105.04536	4.2
106.03723	7.9
106.07390	6.6
107.04977	56.3
107.08554	3.5
108.05285	94.6
109.02274	1.9
109.02882	99.2
109.06530	11.1
110.03215	100.0
110.06859	21.7
111.04456	7.9
111.08147	3.3
112.04774	6.1
114.50808	2.8
119.26037	3.0
121.06513	22.2
122.06854	49.1
123.04424	5.8
124.03970	2.9
124.04766	9.8
126.06351	5.3
132.05261	10.4
133.02669	3.3
135.04420	5.0
136.04767	17.7
136.08443	3.5
136.11201	4.1
137.05959	3.1
138.06329	8.8
139.03931	6.2
139.07463	2.8
140.04266	7.4
140.07896	6.5
141.05469	8.6
142.05788	13.9
149.05989	12.2
150.06329	40.7
151.04012	3.2
152.04242	7.8
154.05867	11.1
160.04749	7.8
164.10706	2.9
165.05493	9.1
165.17526	3.0
166.05823	47.0
166.08640	7.3
167.07039	42.3
168.07376	84.8
177.05490	7.6
178.04332	5.7
178.05797	55.1
182.09219	8.5
192.07433	5.1
196.06877	5.7
210.08473	19.3
210.11307	15.0
210.15756	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	211.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03713	0.4
53.03948	3.9
54.57505	0.3
55.01876	2.2
55.05503	2.3
55.55538	0.3
56.96572	1.7
57.03434	0.7
57.07085	0.5
59.04985	0.4
61.02936	0.3
62.56061	0.3
65.03935	2.7
67.05505	18.9
69.03429	6.0
69.07066	1.0
70.65635	1.1
71.01344	1.5
71.04985	1.2
72.08173	0.6
73.02908	0.4
77.03929	1.0
78.04699	1.5
79.05492	7.2
81.03415	2.8
81.07056	13.5
83.04980	11.2
83.05482	0.6
83.08624	0.4
84.08153	0.5
85.02896	1.0
85.06546	0.5
91.05479	8.1
93.03391	0.8
93.07040	6.6
95.01343	2.5
95.04966	100.0
95.08617	2.6
96.05290	0.7
97.02891	20.6
97.06531	1.5
98.97600	0.9
99.04452	0.6
99.08109	0.5
103.05479	2.5
105.03403	1.9
105.04518	1.9
105.07030	10.5
106.04169	1.2
107.04961	2.4
107.08612	2.1
109.02901	1.7
109.06521	5.7
109.10146	0.7
111.04462	0.5
111.08091	1.3
113.06002	0.6
115.03936	0.6
115.05435	0.6
116.98656	0.7
117.07020	0.6
119.04938	2.6
119.08567	0.8
120.08116	0.7
121.02877	1.6
121.06509	3.2
121.10126	0.5
123.00806	6.1
123.04427	40.6
123.08018	2.5
124.05202	1.3
124.07627	0.3
125.02352	45.8
128.98659	0.4
129.05476	0.5
132.05737	1.8
133.02869	1.5
133.06482	6.7
134.03578	0.4
135.04433	0.6
135.08084	2.3
137.04987	0.2
137.05984	5.2
137.09630	1.6
139.07468	0.4
141.01834	3.9
141.05463	3.1
146.99719	0.6
147.04407	2.7
149.02368	1.0
149.06007	4.2
151.03902	78.8
151.07446	3.3
152.04614	1.4
153.09131	1.0
155.07069	0.5
155.08450	0.6
161.02464	0.4
161.05984	3.7
163.97697	0.4
165.05455	3.1
165.09102	1.7
166.06236	0.4
167.03407	9.9
167.07037	44.8
168.09302	0.4
169.04965	5.2
170.05743	0.4
175.03908	1.2
179.03497	2.0
179.07031	5.4
181.08594	2.7
183.06488	0.7
183.11691	0.7
185.04585	0.6
188.54918	0.4
193.04967	1.9
193.08562	2.5
193.12262	0.5
196.02499	0.4
199.02611	0.5
211.04793	0.4
211.06113	0.4
211.09489	4.2
211.11264	1.1
211.13141	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	211.0602
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
51.02387	0.6
53.03948	4.5
55.01871	1.6
55.05515	3.8
55.99223	0.4
56.96563	1.3
57.03432	0.5
58.11215	0.4
62.04874	0.4
64.51057	0.4
65.03951	3.1
65.53831	0.4
67.05508	20.5
68.99787	0.6
69.03431	6.7
69.07060	0.7
71.01354	2.3
71.04991	1.4
71.10026	1.0
72.08173	0.4
77.03929	1.6
78.04694	1.1
79.05499	9.3
81.03429	2.2
81.07059	24.3
83.04984	22.4
84.08141	0.4
85.02889	0.7
85.06576	0.6
90.86791	0.4
91.05485	9.2
93.03371	0.6
93.07047	10.1
95.01359	2.3
95.04971	100.0
95.08609	3.7
96.05272	0.5
97.02895	21.1
97.06523	1.0
99.00830	1.1
99.04449	0.5
103.05491	1.6
105.03398	1.9
105.04508	2.2
105.06316	0.8
105.07031	15.3
106.04183	0.6
107.04994	1.9
107.08595	3.9
109.02869	1.3
109.06525	9.4
109.10107	0.8
110.62965	0.4
111.04451	1.0
111.08076	1.1
113.06056	0.5
115.03952	0.9
115.05458	1.2
117.07065	0.5
119.04942	2.4
119.05881	0.4
119.08584	0.7
121.02901	1.7
121.06483	3.1
121.10147	1.0
123.00813	5.9
123.04435	34.3
123.08074	4.5
124.05212	0.8
125.02358	43.9
126.21088	0.4
129.05461	0.8
129.07043	0.4
132.05708	3.0
133.02820	1.2
133.06493	12.7
135.04428	0.6
135.08055	3.7
137.05984	4.8
137.09595	0.9
141.01790	2.8
141.05458	3.0
147.04396	2.0
147.08063	0.9
149.02328	1.1
149.05960	2.5
151.03908	80.9
151.07516	4.8
152.04475	0.9
153.09097	0.9
161.05994	5.8
163.03900	0.5
163.97792	0.4
165.05533	3.2
165.09131	2.4
167.03415	8.5
167.07045	29.8
169.04974	4.7
170.05804	0.6
173.51314	0.4
175.03908	0.9
179.03386	1.2
179.05515	0.7
179.07036	9.9
181.08565	1.8
183.06537	0.6
183.08128	0.4
185.04492	0.4
193.04974	1.7
193.06969	0.5
193.08545	2.5
193.12259	0.6
197.08128	1.0
205.98839	0.6
211.06158	0.9
211.07635	0.6
211.09610	6.2
211.11327	0.5
211.13171	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	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03960	5.4
53.04147	0.9
55.01886	6.8
55.05512	42.3
57.03433	10.5
57.07074	1.2
57.76595	0.9
59.04998	2.0
61.75168	0.9
63.01989	0.9
65.03934	3.1
67.05146	1.7
67.05502	34.5
69.03423	10.5
69.07071	13.5
69.21456	1.4
69.21766	11.7
71.04990	8.2
79.05495	38.7
81.03420	100.0
81.07057	38.6
83.04980	51.7
83.05486	2.1
83.08620	32.6
83.55705	1.0
85.02889	2.3
85.06536	4.3
91.04924	1.8
91.05478	33.5
93.06494	1.8
93.07040	22.1
95.04403	1.9
95.04971	34.9
95.08607	16.8
97.02905	2.4
97.06560	5.6
97.10166	7.6
99.04444	1.2
99.08088	2.4
105.07036	25.0
107.04956	6.4
107.08601	14.1
109.02885	1.9
109.06532	7.9
109.10159	12.6
111.04433	3.8
111.08089	13.8
111.33635	1.0
115.05461	1.8
116.06248	1.0
117.07012	2.1
119.04897	1.8
119.07737	1.0
119.08583	20.9
121.06506	3.8
121.10153	11.2
122.51573	1.2
123.04404	1.3
123.08073	6.2
123.11716	1.8
125.09627	2.9
129.06996	11.7
131.08565	12.7
131.12457	1.0
133.02866	1.6
133.06470	2.6
133.10138	15.0
135.11684	8.0
137.05972	5.4
137.09639	6.3
142.07767	4.0
145.10054	1.4
147.08054	4.4
147.11699	16.4
149.09618	7.1
151.03876	1.7
151.11124	2.7
151.14851	1.5
153.12720	1.1
153.31686	1.0
155.08501	1.2
157.10127	15.6
165.05525	1.3
165.12784	4.4
167.07085	4.9
175.11194	12.9
175.14810	2.0
179.07089	1.3
193.12256	36.0
193.15889	1.7
206.04121	0.9
211.07617	2.1
211.13275	15.6
211.16609	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	211.1329
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.03938	4.2
55.01879	5.5
55.05512	40.1
57.03202	1.0
57.03436	9.4
57.07064	1.3
65.03912	1.7
67.05506	31.2
68.62359	0.7
69.03436	11.8
69.07070	11.7
69.72971	1.8
69.73375	3.1
71.04992	5.9
79.05027	1.6
79.05495	34.5
81.03419	100.0
81.07055	38.6
81.56585	0.8
83.04980	47.4
83.08620	35.1
85.02914	0.9
85.06543	3.5
91.05481	33.4
93.07039	19.1
95.04967	35.9
95.08604	14.6
97.02875	3.4
97.06535	4.9
97.10172	8.0
99.04430	1.2
99.08081	2.2
103.71600	0.7
105.07030	24.7
107.04955	6.2
107.08587	8.4
109.06514	6.7
109.10140	2.8
111.04455	4.4
111.08077	10.9
113.06018	1.0
115.05455	2.1
117.06982	1.2
119.04920	1.6
119.08585	22.1
121.06499	2.0
121.10168	9.6
123.08116	4.8
123.08829	0.9
123.11712	3.3
125.05983	0.9
125.09584	3.8
127.07523	1.0
128.06190	1.3
129.07013	11.1
131.08560	13.7
131.78838	0.8
133.06451	3.9
133.10117	11.9
135.11665	1.0
137.05977	12.6
137.09592	3.2
142.07773	2.6
145.10153	2.2
147.08015	3.4
147.11688	16.7
149.09621	7.5
151.07574	1.2
157.10118	17.1
165.12706	4.2
167.07040	2.4
175.11189	16.2
179.07048	1.6
193.10460	1.9
193.12242	38.2
211.09714	1.1
211.13261	16.7
211.15044	1.4
211.16591	0.9
214.74521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
52.31677	0.9
53.03947	5.0
55.01865	5.2
55.05514	43.0
57.03439	7.9
57.07077	1.9
59.05016	1.7
61.25589	0.8
65.03938	1.3
67.05509	33.3
69.03431	7.8
69.07066	10.1
70.52361	3.2
70.52706	0.9
71.04993	4.9
73.67731	0.8
79.05500	33.0
81.03422	100.0
81.07059	34.1
83.04983	48.2
83.05482	2.2
83.08624	31.0
85.02922	1.3
85.06544	3.2
91.05484	33.1
93.07049	15.4
95.04972	33.0
95.08608	11.5
97.02885	2.6
97.06540	4.2
97.10188	6.6
99.08109	1.5
105.07037	26.7
107.04956	6.1
107.08606	7.6
108.04261	0.9
109.06528	6.7
109.10148	2.6
111.04429	3.5
111.08094	11.1
115.05429	1.2
117.07030	1.2
119.08583	21.6
119.87177	0.8
120.02905	0.9
121.06471	1.9
121.10146	7.4
123.08046	3.1
125.09622	1.7
129.07008	12.4
131.08559	13.1
133.06485	3.5
133.10127	9.7
137.09630	1.7
142.07788	1.8
145.10107	1.2
147.08052	3.7
147.11702	12.7
149.09616	6.0
157.10139	16.8
165.12781	3.8
173.04201	0.9
175.11200	16.8
193.10445	2.2
193.12244	36.1
193.35825	0.9
211.13289	17.1
223.45004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03936	5.8
54.73062	0.9
55.01868	6.2
55.05513	45.8
56.96556	1.6
57.03436	8.8
57.07074	1.7
59.04987	2.2
61.02971	1.1
62.22804	0.9
65.03933	2.1
67.05506	33.2
69.03432	9.6
69.07067	11.2
69.38673	6.2
69.39086	2.0
70.06555	1.0
71.04998	7.6
73.02906	1.0
77.03931	1.0
78.80467	1.0
79.05495	33.7
81.03419	100.0
81.07059	42.3
81.07544	2.0
82.07422	1.1
83.04982	58.9
83.08620	38.3
85.02921	1.4
85.06521	3.4
91.05481	37.3
93.07042	19.1
94.10475	1.0
95.04971	37.6
95.05588	1.8
95.08606	19.1
97.02885	3.9
97.06545	4.4
97.10185	8.0
99.04441	2.0
99.08047	1.7
104.14578	1.0
105.07032	26.2
107.04957	8.0
107.08595	9.1
109.06531	6.4
109.10152	3.8
111.04424	1.7
111.08084	14.7
115.05449	2.2
117.06973	1.2
119.04955	2.5
119.07800	0.9
119.08583	19.7
121.06511	2.9
121.10159	7.6
123.08056	4.9
125.09629	3.6
129.07004	11.7
131.08560	13.4
133.06494	5.9
133.10141	13.0
137.05968	13.3
137.09631	2.1
141.05447	2.5
141.06975	1.2
142.07802	5.3
145.10184	2.8
147.08081	4.0
147.11694	17.5
149.08566	1.2
149.09631	7.1
155.08537	1.9
157.10136	17.3
161.05774	1.0
165.12761	2.4
167.07065	2.2
169.10129	1.9
175.11191	19.2
175.14725	1.8
179.07062	1.0
181.10078	1.6
182.07448	1.4
183.11710	1.1
193.12247	40.7
211.11211	3.0
211.13206	16.1
211.14998	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03941	5.2
55.01872	6.5
55.05512	42.8
55.63290	1.1
56.96552	3.2
57.03435	8.6
57.07068	2.7
65.03931	1.7
67.05502	30.5
69.03422	10.6
69.07068	12.7
69.48106	7.5
71.01365	1.1
71.04996	6.5
79.05492	34.7
81.03416	100.0
81.07051	39.3
83.04980	53.0
83.08617	35.6
85.02922	2.4
85.06535	4.0
91.05479	30.5
93.07047	15.9
95.04964	36.4
95.08607	14.6
97.02877	2.9
97.06511	5.1
97.10178	8.9
105.07024	23.0
107.04931	7.5
107.08573	8.9
109.06496	6.6
109.10140	3.6
111.04452	2.7
111.08078	14.6
115.05459	1.4
115.12422	0.9
117.07006	1.3
119.04938	1.2
119.08581	21.9
121.06488	2.2
121.10140	7.1
123.08052	3.8
123.11695	1.2
125.09605	2.1
127.07520	2.0
128.06219	1.1
129.06999	14.0
130.69180	1.2
131.08568	15.2
133.06465	4.1
133.10133	12.4
135.08142	1.1
135.11745	1.2
137.05971	3.4
137.09605	3.4
142.07756	3.5
145.10101	1.9
147.08022	2.3
147.11693	14.0
149.09608	7.1
155.08559	2.6
157.10117	15.1
163.97673	1.9
165.12788	3.4
167.08554	1.3
168.09354	1.0
169.10149	4.6
175.11177	16.7
181.10069	1.5
183.11646	1.3
193.12236	37.2
193.51466	1.0
196.12389	1.1
205.98769	3.2
211.07581	1.5
211.11136	2.6
211.13263	16.3
211.14877	5.5
211.16782	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03934	6.9
53.24577	1.7
55.01870	6.2
55.05513	40.3
57.03440	11.0
67.05510	35.2
69.03435	12.9
69.07074	9.8
69.27747	7.6
69.28173	10.8
71.04987	5.3
77.55598	1.8
78.36745	2.2
79.05490	34.5
81.03423	100.0
81.07063	40.5
83.03828	1.9
83.04984	53.0
83.08623	32.7
85.06542	4.6
91.05487	33.3
93.07059	16.1
94.54505	1.9
95.04975	36.2
95.08600	14.5
97.02888	2.4
97.06527	7.4
97.10172	9.2
98.21488	4.3
99.06353	1.9
103.41532	1.9
105.07037	26.0
107.04958	8.1
107.08600	9.6
109.06526	7.5
109.10137	4.6
111.08065	11.3
115.05449	3.8
119.08591	19.5
121.06501	2.5
121.10159	8.7
123.08051	4.1
123.11736	3.8
129.07019	10.0
131.08560	12.8
133.06499	3.1
133.10121	10.1
137.05975	7.4
147.07999	3.7
147.11723	12.8
149.09628	7.5
155.08530	3.1
157.10104	15.7
165.12825	4.1
169.10246	2.1
175.11177	16.2
186.31271	2.1
193.12248	38.1
205.98788	4.8
208.92331	2.3
211.11400	4.4
211.13281	14.4
211.14891	3.3
222.63797	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	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
50.44554	1.5
53.03937	5.0
55.01865	6.6
55.05513	44.2
57.03443	11.0
57.07056	6.6
59.05000	15.1
67.05505	40.5
69.03435	17.9
69.07070	46.1
70.00113	1.6
70.02194	7.0
71.04994	82.4
79.05495	35.3
81.02938	3.5
81.03423	67.6
81.07059	71.7
83.04504	2.7
83.04983	39.3
83.08163	3.0
83.08620	36.2
85.06541	14.4
87.04460	1.6
87.25858	1.8
91.05486	37.5
92.05816	2.1
93.07050	64.6
95.04408	1.7
95.04972	29.0
95.07993	3.4
95.08611	70.6
97.02910	2.1
97.06531	29.7
97.09557	2.0
97.10144	10.9
98.97600	2.2
99.04443	9.1
99.08087	16.2
103.05479	2.8
105.07038	32.2
106.07331	1.8
106.51788	1.6
107.04939	5.2
107.08598	47.8
109.06512	13.3
109.10154	33.2
111.04385	2.0
111.08089	15.7
113.09641	4.8
115.07566	17.7
117.07050	2.1
119.04905	3.3
119.08576	49.7
121.06497	6.3
121.10141	40.2
123.04414	4.4
123.08091	15.6
123.11707	96.1
124.12008	2.6
125.09625	13.1
127.07549	7.5
129.07001	10.2
130.75786	1.6
131.08580	9.7
133.06525	4.4
133.10136	40.5
135.11693	99.1
135.52420	1.9
137.05983	36.3
137.09631	14.5
137.13254	8.4
139.11186	2.3
141.09148	4.2
141.12706	8.1
142.07814	2.3
145.10083	2.6
147.04384	4.2
147.08005	2.9
147.11736	12.8
149.05983	7.8
149.09598	6.0
149.13249	20.6
151.03920	1.9
151.07582	3.3
151.14835	3.0
153.06905	2.0
153.11581	1.8
153.12762	26.0
155.10661	13.7
157.10118	9.8
165.05461	2.5
165.12743	4.1
167.07045	23.8
167.14313	2.3
169.10095	4.1
175.11238	9.7
175.14816	52.4
179.07069	3.3
181.08627	4.9
191.04124	1.5
193.12244	30.2
193.15874	17.0
211.07635	2.6
211.09531	4.2
211.11282	2.5
211.13153	10.6
211.15147	4.1
211.16925	100.0
212.17212	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0756
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
52.89061	1.2
53.03946	6.1
55.01874	1.7
67.05497	4.1
70.55765	4.3
71.01358	2.6
77.03910	1.8
79.05494	29.5
81.03415	3.5
81.07063	5.3
91.05466	4.0
91.65982	1.4
93.07043	4.5
95.04974	39.7
97.02901	7.0
103.05429	8.1
105.03371	4.6
105.04536	1.9
107.04958	100.0
109.02892	13.5
109.06537	4.9
121.06496	6.4
123.04418	9.6
125.02361	12.3
125.06047	2.0
131.04893	2.0
133.02870	10.6
135.04449	3.6
137.49861	1.4
145.52304	1.5
149.05977	13.2
151.03905	61.9
153.05447	8.3
159.04501	1.7
177.05437	8.2
194.28784	1.5
195.06581	4.9
201.35367	1.5
210.45770	1.4
216.32353	1.5
220.51698	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	213.1122
Annotation	7-Deoxyloganetin
Peak:m/z	Relative Intensity
53.03939	1.8
55.01868	4.4
55.05508	6.3
56.96348	0.6
56.96571	6.0
57.03441	1.4
57.07073	1.2
61.36145	0.6
65.03940	1.3
67.05503	4.7
69.03439	6.0
69.07048	2.2
70.06569	2.2
70.77775	1.7
70.94241	0.9
71.01350	6.1
71.04977	1.1
72.08161	1.2
73.02906	2.1
77.28355	0.6
79.05089	1.1
79.05498	13.8
81.03410	2.1
81.07058	6.0
83.01323	2.6
83.04962	2.5
83.06088	0.7
83.08619	2.4
84.04510	0.7
84.96024	1.0
85.02897	1.4
85.06536	1.1
86.09702	1.3
87.04417	0.7
88.07623	1.1
88.95301	0.9
91.05484	14.1
93.07047	24.8
94.06584	0.6
95.04974	6.8
95.08606	9.4
97.02898	12.1
97.06521	1.5
98.97570	3.0
105.07019	5.7
107.04967	8.8
107.07909	1.1
107.08596	17.7
109.02852	1.2
109.05830	1.0
109.06529	14.9
109.10199	0.8
110.03637	0.8
111.04430	2.1
111.08083	29.3
113.05997	1.2
115.03915	2.7
115.05449	5.4
116.98590	2.5
117.07034	11.4
119.01941	0.8
119.04944	2.8
119.06085	0.9
119.08606	1.1
121.02922	0.6
121.06516	9.4
121.10124	1.0
123.04380	1.9
123.08047	1.9
125.02332	2.0
125.06006	2.0
125.09621	1.5
125.98886	0.7
127.03876	1.5
128.98628	1.3
129.05453	1.7
130.96304	2.7
131.04938	0.7
131.08575	0.8
133.06522	1.5
134.99672	1.5
135.04411	2.1
135.08058	36.6
135.11685	0.9
137.05942	3.2
139.03902	3.5
139.07527	4.9
141.05449	1.5
143.00041	0.7
145.06447	4.3
146.99673	1.7
147.04430	1.5
147.05536	2.5
147.96519	0.8
148.97360	6.9
149.05989	1.6
149.09583	0.7
151.03889	5.2
151.07544	5.6
153.05498	5.9
153.09059	3.3
161.01201	1.1
163.07530	17.8
165.05481	1.0
167.03424	2.6
167.07008	1.5
169.08612	3.3
174.00807	1.2
175.03897	2.3
177.00810	0.9
177.05484	1.1
181.08607	16.9
189.97650	2.4
195.06474	1.7
199.09579	1.1
207.06566	2.9
207.98708	1.8
213.05516	2.2
213.11214	100.0
214.11459	1.0
219.01604	0.7
231.07021	0.7
231.12219	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	213.1484
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.05507	34.9
56.96568	67.1
57.03431	16.6
57.07066	16.9
67.05505	52.3
69.03433	13.8
69.07064	40.3
69.26802	9.5
69.27200	79.2
71.04990	20.6
71.08626	11.6
72.08181	9.2
72.93801	12.9
79.05479	41.3
81.07059	69.2
83.04994	16.0
83.08598	26.3
88.07612	15.8
90.94788	12.9
91.05485	27.8
93.07021	49.3
95.04929	18.1
95.08601	37.6
97.06538	21.9
105.07041	23.0
107.08590	30.3
109.06522	10.4
111.08066	14.9
116.98586	11.0
117.07027	12.0
119.08599	18.6
121.10139	31.2
128.06206	21.0
129.06961	42.8
131.08534	11.7
133.10199	13.5
133.80606	8.3
141.06937	9.8
142.07782	29.0
143.08533	47.6
148.97348	49.5
149.13271	9.6
156.09387	13.4
157.10126	74.0
165.06917	13.6
167.08537	14.8
167.97200	14.7
170.10872	10.4
171.08041	11.0
171.11723	49.4
183.08046	13.1
185.09518	11.6
185.13251	19.6
187.05629	7.5
189.97649	10.6
190.03897	7.8
195.08061	19.3
195.13902	16.0
198.10495	18.7
210.06660	8.2
213.05458	35.1
213.09114	46.5
213.10919	13.2
213.12868	69.5
213.16408	100.0
213.18446	14.8
231.09012	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	213.1487
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03935	2.2
53.36168	0.8
55.01877	15.5
55.05511	82.5
56.96564	1.1
57.03421	1.4
57.07071	1.7
59.04982	2.9
60.83033	0.8
67.05145	1.4
67.05506	29.9
69.03427	7.9
69.07068	15.8
69.62836	6.0
71.04994	71.9
79.05495	22.4
79.11079	0.8
81.03398	1.5
81.07056	28.7
83.04974	6.0
83.08622	49.1
85.06542	10.0
86.04906	0.8
87.04474	9.8
91.05462	6.8
93.07047	18.5
95.04947	2.5
95.08608	11.7
97.06532	99.8
97.10170	65.5
97.10699	0.7
98.06861	1.5
98.97579	1.0
101.05992	1.6
101.09619	2.4
105.07028	3.4
107.04962	1.2
107.07893	1.8
107.08589	24.3
109.06488	1.4
109.10165	15.4
111.08081	4.7
117.06986	6.0
119.08562	1.4
121.06488	2.2
121.10133	2.9
123.08025	1.3
125.09632	40.5
129.06995	1.0
131.08580	5.0
133.10121	4.0
135.08038	7.5
135.11668	5.2
142.09975	1.0
143.08568	1.5
143.10703	1.5
149.09564	1.0
149.13263	4.5
153.09100	2.5
157.09998	1.5
159.11691	4.1
167.07008	1.0
177.12732	8.3
189.11215	9.5
195.13812	41.6
213.14835	100.0
214.15132	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	214.0024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01880	1.0
55.05516	0.7
56.96564	100.0
57.03438	2.6
57.07067	0.8
58.03776	0.4
58.06592	1.5
60.95847	0.4
61.02922	9.1
61.33779	0.4
62.03270	0.9
67.05499	0.6
69.03437	2.5
69.07050	0.6
70.06628	0.4
70.98118	0.7
71.04988	0.7
71.95257	0.9
72.96044	1.2
73.02915	4.4
74.03253	0.7
74.97600	3.0
75.01043	0.4
79.05510	1.1
81.03426	0.5
81.07042	0.6
83.04975	1.0
84.08154	0.6
84.96030	4.2
85.02893	4.5
86.03254	0.5
88.99154	0.7
90.98260	0.4
91.05504	0.6
92.01304	0.5
92.98671	1.4
93.03478	0.5
93.07018	0.5
95.04967	2.7
97.02894	2.7
97.99211	0.4
98.01280	0.5
98.97578	4.7
99.04483	0.5
99.97920	0.5
100.99143	12.9
100.99773	0.7
101.00877	0.6
102.01555	0.5
102.97036	1.6
104.01271	0.9
104.51450	0.6
107.01820	0.5
107.04979	0.5
109.02924	0.6
109.06530	0.4
109.75335	0.4
110.01304	1.5
110.51502	0.6
110.97555	5.0
110.99664	0.5
111.02966	0.4
113.02414	1.1
115.02467	0.5
116.00325	0.4
116.98620	4.0
117.02034	0.5
117.98983	0.6
118.03561	0.8
118.27151	0.4
119.00183	21.9
119.01880	4.4
119.51986	1.2
120.00767	0.4
120.02644	0.7
120.03528	0.4
120.98074	1.3
121.01479	0.4
124.01030	0.4
124.01941	0.6
124.62536	0.4
125.02701	0.5
126.02582	0.6
126.97066	0.8
127.03930	1.3
128.02318	3.1
128.52504	1.8
128.98596	10.1
129.03223	0.6
129.98999	0.4
130.01949	0.7
130.12206	0.8
131.01929	1.4
132.97963	1.0
133.03503	0.9
134.02275	0.8
134.09653	0.8
134.99644	3.2
136.00035	0.7
137.01219	6.5
137.02835	3.1
137.53070	1.5
138.99072	0.4
140.03333	0.5
141.00105	2.3
141.01048	0.4
142.01825	1.1
142.96539	0.5
143.01941	1.0
144.98094	7.0
144.99849	0.9
145.03481	0.9
146.02295	0.5
146.99643	25.5
148.00082	0.5
148.97528	0.9
149.01196	0.5
150.05508	0.7
150.96912	2.4
150.99080	1.0
151.07622	0.5
153.00761	0.4
156.03670	0.8
157.03563	0.5
157.32722	0.4
158.02808	1.1
158.99693	1.1
160.03015	0.5
160.97600	0.7
161.01372	0.7
161.02982	1.9
162.01772	0.5
162.51979	0.5
162.99144	24.4
165.00713	23.9
166.01028	0.6
168.01448	0.4
168.10318	0.5
169.52737	0.7
170.01363	0.5
172.97559	3.2
173.02994	1.3
174.99023	0.6
177.00743	1.4
177.02448	1.0
177.52501	0.5
178.08714	0.8
181.00179	5.9
181.01495	0.5
183.01765	13.5
183.52565	0.9
185.02992	0.5
186.00601	0.6
187.00862	0.9
188.02379	0.6
188.97142	0.5
189.00764	1.5
190.98636	20.5
191.01286	0.8
191.04106	1.0
191.97191	0.6
191.99069	0.5
192.53125	0.5
193.00165	1.1
193.03683	0.5
196.09828	1.0
200.04131	0.5
201.00749	0.5
201.02574	0.5
207.01750	0.9
208.99687	36.5
214.00337	1.2
214.07246	0.5
214.10611	2.6
214.21669	2.6
215.00471	1.0
219.01819	0.5
227.00751	7.5
232.01405	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	215.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01874	3.0
55.05500	5.0
55.52880	2.0
55.93513	2.1
56.96570	12.7
57.03434	4.6
58.49886	1.9
67.05513	12.1
67.55640	2.3
69.03433	9.6
69.07065	5.8
69.44438	19.2
70.04550	2.3
70.06584	9.7
70.95879	3.8
71.04988	9.7
71.08625	5.6
72.04506	5.8
72.08153	2.5
72.93787	14.7
73.02906	2.6
79.05029	2.5
79.05495	51.2
79.77951	2.3
81.03424	6.6
81.07058	28.7
82.02946	3.7
83.04992	7.0
84.08154	2.1
84.45786	2.1
85.02901	6.9
86.09702	3.6
88.11263	2.8
90.94825	11.8
91.05480	13.7
92.84234	2.4
93.07048	10.1
95.04987	25.0
95.08604	16.4
97.02895	17.9
97.06569	3.9
98.97595	8.2
99.04453	5.2
100.03995	11.7
103.05482	7.8
105.07028	28.4
107.04952	17.5
107.08595	6.3
108.95864	3.0
109.02879	8.7
109.06522	38.7
111.08073	38.4
113.06022	5.1
115.05460	2.6
116.98625	5.3
117.07012	4.1
121.06514	10.4
123.04375	5.2
123.08070	11.6
125.06007	2.5
127.03914	75.5
128.03433	10.0
128.04272	3.2
132.95827	32.5
133.06528	12.0
135.04428	9.8
137.05978	14.3
137.09723	2.4
141.05490	3.7
141.07030	2.6
146.04306	2.5
148.65120	2.2
149.96124	7.9
150.96890	100.0
151.03903	27.1
151.07544	18.9
153.05475	28.0
161.05925	4.3
167.97188	7.4
168.98007	4.2
169.07623	3.5
170.11766	8.9
177.00687	2.9
179.07042	47.7
187.07402	2.5
191.97147	27.3
197.08138	13.1
209.98219	20.4
215.07088	7.1
215.10927	3.0
215.14185	3.1
215.59082	2.5
216.12271	17.3
224.06291	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	216.123
Annotation	2-Amino-9,10-epoxy-8-oxodecanoic acid
Peak:m/z	Relative Intensity
55.01876	5.5
55.05511	11.3
55.20370	0.6
55.49162	0.7
56.05022	3.1
56.96560	3.5
57.03426	1.2
59.05004	1.0
67.05503	1.7
69.03430	1.2
69.07063	5.0
69.99331	2.2
69.99734	1.8
70.06583	0.8
71.08632	22.5
72.00148	0.8
72.04520	19.3
72.08144	1.6
72.08985	0.7
72.93779	1.6
72.94202	0.8
73.02897	1.1
79.05491	1.8
80.05833	0.9
81.03396	0.9
81.07037	1.1
82.02472	1.1
82.02937	14.1
83.04979	14.0
84.04499	2.9
84.08139	1.6
85.02422	0.7
85.02905	2.1
85.06526	1.7
86.06038	1.8
86.09669	1.4
87.04449	2.0
88.11269	15.2
89.02400	1.3
89.06018	2.5
91.05447	0.9
93.07048	1.2
95.04966	2.3
96.05276	0.9
97.02872	1.4
98.20775	0.9
98.97579	2.7
100.03980	77.9
101.02374	2.1
101.06004	4.7
105.07036	1.6
106.07368	0.9
109.06514	1.2
110.06876	0.9
111.04441	15.3
112.07543	0.9
113.05984	5.3
114.05512	2.4
116.98616	2.2
117.52623	0.7
127.07543	3.0
128.03439	60.3
129.03813	0.7
129.05487	5.2
134.74878	0.7
137.05986	1.0
140.07013	0.8
142.04955	1.1
142.12283	2.1
146.04514	5.5
150.96880	4.0
151.97061	1.8
152.04257	1.3
154.05777	0.9
154.56944	0.8
155.05779	1.7
155.07025	23.3
156.07660	0.8
170.11760	55.8
171.11928	1.3
173.08109	12.5
174.08723	0.8
177.00655	0.9
180.07425	1.6
198.11191	1.7
199.09665	1.9
201.04091	0.9
216.12317	100.0
217.08653	1.6
217.10706	11.1
217.12642	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	217.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50985	2.9
56.96539	3.1
69.70405	13.6
69.70812	6.4
71.13815	2.7
78.95603	4.3
82.31983	2.4
83.79850	2.9
86.84244	2.5
97.28842	2.9
98.20894	5.1
101.00861	11.1
103.02467	14.4
119.01925	100.0
121.03463	14.4
131.01904	12.6
137.01892	3.2
137.02950	54.5
145.02309	4.6
145.03459	92.8
147.01402	10.5
149.02991	6.5
163.04520	64.2
171.01372	3.4
173.02959	6.9
174.93826	4.4
175.01790	9.1
182.02580	3.3
189.02435	34.6
190.98691	4.5
191.04030	3.8
193.02037	3.3
207.03510	29.8
211.99277	3.2
212.03995	3.3
217.01930	7.8
217.10513	2.8
226.03192	2.6
235.02997	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	217.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.5
56.96559	5.2
69.89339	10.6
70.06580	5.3
72.04554	2.2
72.08159	45.9
74.06084	3.0
83.04980	8.6
84.08102	2.5
85.01419	2.2
86.06060	5.9
86.09695	2.5
87.04475	2.3
96.04514	2.5
96.50566	2.1
98.20844	3.3
98.97577	4.9
100.07621	20.2
101.00883	15.8
101.02331	3.0
103.02452	11.3
111.04472	11.8
116.07105	5.7
116.98605	3.8
119.01929	73.6
120.01984	2.5
121.03474	10.7
123.15938	2.2
126.75957	2.1
129.05478	3.3
131.01898	9.9
137.02956	28.8
138.09131	6.1
145.02339	3.2
145.03470	58.7
146.99678	2.4
147.01428	5.9
149.02953	3.7
155.07053	19.4
163.04538	31.4
171.01416	3.5
173.02997	7.3
173.08095	10.2
189.02382	13.8
193.00238	3.0
193.02058	2.4
207.03438	9.9
217.02119	4.7
217.06860	100.0
217.10420	14.6
217.12508	3.0
217.15544	7.2
235.03157	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	217.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01862	2.2
55.05511	38.4
56.96560	8.5
57.03440	1.8
57.91793	0.9
59.04984	3.4
61.02918	2.4
67.05499	3.8
69.03420	2.9
69.07066	1.5
70.06588	9.4
71.10345	2.0
72.08150	18.1
73.02910	2.9
81.07064	1.1
83.04977	55.3
83.08632	2.9
84.04461	1.0
84.08141	1.4
85.02905	2.4
85.06548	5.5
86.06065	11.3
87.04459	6.9
89.02374	5.9
89.06024	11.2
93.03392	1.3
94.34485	0.9
96.04485	7.4
98.97565	4.4
99.04459	3.5
100.03962	2.2
101.00876	3.8
101.02386	1.2
101.06017	22.0
103.02416	3.3
110.09671	2.0
111.04440	69.7
111.08104	1.4
113.06022	8.5
116.98632	4.2
119.01923	23.6
121.03492	3.6
122.39040	0.9
126.37759	0.8
127.07543	9.8
129.05481	26.1
131.01898	3.2
134.99663	2.8
137.02954	10.7
137.05974	1.5
137.10764	8.8
138.09140	13.1
145.03452	16.9
146.99628	1.0
147.01399	1.7
147.06502	1.3
149.02945	1.7
154.08731	1.3
155.07024	100.0
155.11809	1.7
160.97614	1.9
162.99150	1.0
163.04550	12.2
171.01404	1.5
173.03043	1.4
173.08096	62.1
189.02458	7.5
191.04103	1.3
193.00246	2.1
194.03171	0.9
199.09496	4.5
200.09221	1.4
207.03519	2.5
217.03297	4.6
217.06847	54.4
217.10669	52.0
217.15683	0.8
235.03020	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	217.1951
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03948	2.4
53.67640	1.6
55.01862	2.1
55.05514	53.9
56.96566	1.8
57.07063	6.3
59.04990	3.4
61.16598	1.3
67.05508	17.9
69.03409	2.7
69.06696	1.9
69.07069	32.5
70.63055	2.8
70.63449	2.9
73.02916	1.9
79.05470	5.4
81.07052	26.3
83.04980	54.4
83.08603	11.5
85.06528	5.1
87.04472	6.4
89.02380	4.2
89.06020	6.8
91.05481	16.3
93.07037	14.1
95.08609	43.5
97.10149	3.8
99.04475	2.7
101.06015	23.8
105.07035	56.5
107.08588	28.2
109.10153	36.6
111.04442	64.8
112.04751	2.1
113.05987	8.5
117.07029	3.9
118.81755	1.3
119.08581	97.5
120.08881	1.5
121.10152	19.6
123.11693	26.9
127.07531	10.6
129.05490	22.6
131.08560	8.2
133.10132	50.7
134.10466	2.2
135.11681	17.2
137.05978	2.6
137.13245	4.7
143.08543	2.2
145.10118	13.5
146.11929	1.7
147.06499	1.5
147.11685	81.0
149.13249	2.6
155.07031	100.0
156.07390	2.9
157.10155	2.2
159.11696	18.4
160.12450	2.4
161.09602	2.5
161.13263	83.5
162.13550	1.6
163.07858	1.3
171.11646	2.3
173.08109	52.4
173.13216	3.9
174.08479	1.6
174.14037	8.4
175.14830	23.0
184.12358	1.9
189.16490	3.5
195.28777	1.3
199.09561	6.9
199.14810	5.4
217.09093	1.3
217.10696	43.4
217.15909	10.0
217.19511	88.3
218.10966	1.4
218.19876	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	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43079	0.7
55.01880	4.3
55.05497	2.9
56.05054	0.9
56.96546	2.9
57.07061	1.5
59.05001	1.2
60.04512	2.8
60.87013	0.8
61.02929	18.9
67.05486	2.9
69.03418	1.6
69.07052	3.3
70.06607	0.7
70.43810	3.0
71.01353	29.0
72.08151	1.4
73.02897	1.0
74.06064	1.5
75.04480	42.6
79.05479	2.7
81.07059	3.8
83.08635	0.8
84.99240	1.5
85.02891	1.8
86.09695	2.6
87.04472	15.5
89.02386	6.7
90.05553	1.5
91.05474	2.2
93.07056	4.1
94.18111	0.8
95.04962	1.2
95.08575	1.8
97.02885	0.8
97.06510	1.0
98.97557	2.9
101.06023	1.4
103.03941	53.1
105.07024	3.6
107.04930	0.7
107.08582	3.3
109.06476	1.2
109.10093	1.0
111.04459	1.2
116.98595	3.3
117.06971	1.2
119.04864	0.9
119.08574	5.3
120.08094	0.9
121.06468	1.1
121.10145	7.8
123.08031	2.0
131.03406	10.8
131.04907	1.3
131.08525	1.1
131.24237	0.7
132.10223	1.8
133.10112	5.3
134.98659	0.7
134.99658	3.8
135.07997	1.2
135.11694	1.6
145.06529	0.8
145.10167	1.7
146.05946	0.9
146.99677	1.1
147.05460	1.1
147.07988	0.9
147.11679	1.4
149.09647	1.2
149.13297	1.2
150.09036	0.7
155.08591	0.8
157.07607	1.3
157.10104	0.7
159.02893	73.6
159.08017	1.1
159.11653	1.0
160.03162	0.8
160.12477	1.0
161.09622	2.0
161.13281	3.7
163.05089	1.2
172.94237	0.8
173.05907	1.4
173.09543	1.4
173.13040	1.1
175.08705	1.1
175.14816	1.1
177.00671	1.2
185.13248	0.9
187.02356	8.8
187.03970	1.2
187.11221	1.8
190.95276	1.5
196.05002	0.9
201.05458	1.3
203.14311	32.9
203.16226	1.6
205.62701	0.8
219.04950	6.4
219.07983	3.9
219.17438	100.0
237.02689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05503	2.9
56.16788	0.9
57.03434	1.0
59.16437	0.9
67.05500	3.9
69.07052	1.1
69.78753	1.0
70.14012	4.2
79.05486	1.8
81.07048	2.6
83.04959	1.6
85.03924	0.9
91.05484	14.4
92.05056	1.1
93.07014	1.7
95.08609	1.1
97.06496	1.2
103.05452	4.0
105.07008	3.7
107.08626	1.3
109.10151	6.0
109.87003	1.1
115.05447	12.2
116.06264	5.1
117.07039	5.0
119.08582	2.3
120.04469	5.0
121.10118	2.6
125.05960	1.2
128.06218	11.3
129.04485	2.5
129.06056	2.3
129.07011	47.5
130.02867	1.9
130.07764	3.3
131.04951	8.7
131.08568	36.5
133.10106	2.8
137.06038	5.2
137.09618	4.0
141.05873	2.0
141.06989	41.7
142.07568	1.1
143.04919	1.9
143.08553	1.9
144.05669	6.3
145.06488	12.5
145.10117	1.7
146.07245	5.8
147.05495	1.5
148.05193	1.7
156.08144	2.3
157.06494	24.9
158.07265	23.4
159.04407	4.3
159.08057	32.0
159.11670	1.5
160.05147	4.9
160.06319	25.2
160.07541	1.8
161.05943	1.7
161.09627	3.3
163.07564	3.3
165.09145	1.7
169.06470	15.5
169.07690	1.5
170.07272	9.4
171.07959	1.4
173.05936	6.6
173.07214	1.5
173.09608	1.6
174.06767	88.5
175.07527	14.1
177.06627	1.6
184.07579	7.2
185.07178	1.8
186.06656	18.6
186.08151	1.7
187.07553	3.3
188.08337	4.5
189.09105	100.0
190.09431	3.1
191.07005	1.3
191.10603	6.8
201.05467	2.1
201.08734	10.1
201.10457	86.3
202.08649	3.8
202.10631	1.4
203.14319	6.0
204.07753	1.1
219.10100	70.5
219.11433	55.0
219.17409	22.8
220.11572	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.26118	0.8
53.03938	0.9
55.05496	2.1
56.96548	1.9
57.03418	1.4
65.31599	0.7
67.05515	4.1
69.07053	2.7
71.04976	3.4
71.48816	0.8
71.49161	1.1
77.01144	0.7
79.05496	3.8
81.07057	6.8
83.04974	1.0
87.09877	0.7
91.05483	14.2
93.07055	6.3
93.08588	1.0
95.04948	2.6
95.08608	5.7
97.06525	1.4
98.97598	6.9
103.05458	3.4
105.07031	12.3
107.04958	1.3
107.08601	5.0
109.06477	1.3
109.10147	2.4
115.05438	11.7
116.06205	3.4
116.98634	5.5
117.07015	5.4
119.04962	0.8
119.08585	8.8
121.10160	6.7
123.08059	1.9
123.48733	0.7
125.09618	2.5
128.06223	10.8
129.07011	42.2
130.07751	2.3
131.04938	9.0
131.08565	42.7
133.10132	15.6
134.99629	2.1
135.08063	1.3
135.11696	1.5
137.05946	4.5
140.06210	1.0
141.06993	35.0
142.04169	0.8
143.04898	2.9
143.08545	2.7
144.05687	6.1
145.06500	8.3
145.10118	6.5
146.07259	4.3
147.05537	1.8
147.08017	1.3
147.11681	2.9
148.05148	2.1
149.06055	1.2
149.09647	1.1
149.13306	0.9
151.07533	1.1
153.06966	1.3
155.08597	1.5
157.05257	1.5
157.06497	21.2
158.07271	19.9
158.10995	0.8
159.04465	3.7
159.08060	29.0
159.11676	6.7
160.05188	5.8
160.08583	1.2
161.05988	1.3
161.09613	5.0
161.13278	4.3
162.06816	1.1
163.07500	2.0
163.11185	1.6
168.05640	0.8
169.06458	14.2
169.07675	1.6
170.07262	7.1
171.04428	1.5
171.07985	1.2
173.06041	4.9
173.09605	2.0
173.13310	3.6
174.06770	73.9
175.07513	12.3
175.14819	1.1
176.04649	0.9
177.00705	1.1
177.05450	2.0
177.09108	0.9
186.06752	20.5
187.07535	3.3
187.11134	0.8
188.08371	3.7
188.11958	1.0
189.09108	93.9
190.09447	2.4
190.26030	0.7
191.07011	2.0
191.10677	9.8
191.14264	1.0
201.09088	42.3
201.16362	5.1
202.09441	0.9
203.14320	11.7
219.10156	100.0
219.13765	3.7
219.17430	46.3
219.19016	0.9
220.10472	2.3
232.25417	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	219.1016
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03967	1.1
55.05509	3.9
56.96557	1.4
57.03449	0.8
57.07101	0.8
65.03929	0.8
66.53046	0.7
67.05495	4.4
69.03433	1.0
69.07088	2.8
69.84170	3.6
71.04993	5.1
73.06573	1.0
73.19939	0.7
79.05489	4.9
81.07051	10.0
83.05006	1.3
85.06568	1.4
91.05480	16.6
91.06024	0.8
93.07026	6.1
95.04984	1.5
95.08601	4.8
97.06538	2.1
98.97586	1.8
103.05455	3.5
105.07034	19.3
105.07705	1.3
107.04954	34.4
107.08583	6.4
109.06519	1.6
109.10169	3.1
111.04431	1.1
113.09640	4.7
115.05453	10.4
116.06246	5.0
116.98631	1.4
117.06997	6.3
119.08580	8.5
121.06554	1.1
121.10135	5.6
123.08063	1.6
123.11733	1.4
125.09642	5.1
128.06215	11.1
129.07004	44.6
130.04124	1.1
130.07761	3.0
131.04932	8.4
131.08563	42.5
133.06564	1.0
133.10127	24.5
135.08054	2.0
135.11700	1.0
137.05968	4.5
141.06990	40.5
143.04927	2.1
143.08560	3.0
144.05687	7.1
145.06499	8.9
145.10115	6.1
146.07253	6.1
147.04442	0.8
147.05534	15.8
147.08080	1.2
147.11714	4.8
148.05183	1.5
149.09685	0.9
149.13319	1.7
153.06949	0.9
155.06046	1.3
156.05717	1.5
157.06488	24.0
157.10106	1.1
158.07274	23.5
158.31609	0.7
159.04494	3.9
159.08049	30.1
159.11661	6.9
160.05197	4.9
161.05959	1.5
161.09590	4.8
161.13269	3.2
163.07558	2.6
163.11179	1.9
168.05701	1.3
169.06468	14.2
169.07603	0.9
170.07275	8.1
171.04369	1.4
171.07957	1.2
173.05997	5.7
173.09596	2.2
173.13254	2.1
174.06766	81.0
175.07523	12.6
175.14886	1.5
183.08012	1.1
185.05984	1.7
186.06752	18.5
187.07489	2.6
188.08337	4.6
189.09099	100.0
190.09470	2.1
191.07019	2.0
191.10622	7.9
201.09103	44.3
201.16394	6.2
203.14320	6.8
219.10139	99.3
219.13736	2.8
219.17410	31.5
220.10477	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05508	2.4
57.03414	0.9
62.85925	0.8
67.05489	2.6
69.07048	1.5
69.94170	4.3
71.04989	1.8
72.88339	0.8
79.05473	2.9
81.07035	4.3
83.08654	1.1
87.97889	1.0
91.05479	13.3
93.07029	2.9
95.08611	1.9
98.97557	1.5
103.05443	3.9
105.07027	6.2
107.08585	3.2
109.06487	1.1
109.10123	2.3
115.05453	10.2
116.06218	2.9
117.07018	4.2
119.08559	3.8
121.10154	2.9
123.08065	1.0
128.06213	10.6
129.06998	48.1
130.07747	3.9
131.04927	10.6
131.08566	45.9
131.36143	1.2
133.06517	1.3
133.10127	6.2
135.11694	1.3
137.05980	3.1
139.05333	1.2
140.06233	0.9
141.06990	39.5
143.04926	2.1
143.08549	3.1
144.05690	6.9
145.06479	9.1
145.10143	4.6
146.06181	1.0
146.07268	4.5
147.05495	1.7
147.11690	1.1
148.05199	1.5
151.07445	1.1
153.06891	1.4
153.73338	1.0
155.06108	1.4
157.05246	1.8
157.06482	21.7
157.07755	1.0
158.07271	23.8
159.04410	2.7
159.06726	1.7
159.08043	29.8
159.11659	3.8
160.05174	6.8
161.05945	1.7
161.09596	4.0
161.13174	2.3
163.07539	3.3
163.11200	1.3
168.05759	1.4
169.06474	18.0
169.07683	0.7
170.07288	6.4
171.04366	1.2
171.08096	1.7
173.04655	1.0
173.05986	5.7
173.09586	2.8
173.13223	2.1
174.06761	78.6
175.07530	13.4
183.08218	1.1
185.05994	1.3
186.06738	19.9
187.07352	2.3
188.08322	3.9
189.09100	96.5
190.09433	2.3
190.40388	1.1
191.07045	2.1
191.10652	9.4
201.09090	44.1
201.16408	2.3
203.14326	7.2
203.46445	1.1
219.10155	100.0
219.13744	3.5
219.17418	30.5
220.10503	2.0
238.69124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05483	1.1
56.96559	1.9
57.03433	2.4
57.51895	1.0
67.05491	3.1
69.07045	1.8
71.19171	1.2
71.19492	2.0
79.05482	1.7
81.07042	4.0
91.05493	9.8
93.07030	3.5
95.05010	0.9
95.08594	2.0
97.06536	1.0
98.97573	2.2
103.05474	3.1
105.07030	6.1
107.08591	2.2
115.05441	9.3
116.06249	3.9
116.98601	1.7
117.07015	3.7
118.80505	0.9
119.08572	4.0
121.10162	2.2
123.07948	1.0
128.06216	10.6
129.06064	2.3
129.07016	45.7
130.07761	3.2
131.04938	9.6
131.08574	39.1
131.41985	0.9
133.10109	4.3
135.08054	1.1
135.11711	1.6
137.05991	3.1
141.06995	34.5
143.04950	2.3
143.08557	1.9
144.05724	6.4
145.06496	6.3
145.10104	3.5
146.07251	6.0
147.11778	1.2
157.06503	23.1
158.07277	19.8
159.04399	3.6
159.08058	29.6
159.11713	3.0
160.05173	5.2
161.09601	4.2
161.13342	2.4
161.93962	1.1
163.07523	2.2
169.06476	14.9
169.07678	1.6
170.07253	6.7
171.08057	1.3
172.05157	1.5
173.05963	4.7
173.09630	1.5
173.13313	1.2
174.06775	78.6
175.07552	11.1
177.09157	1.1
178.04713	1.1
185.06044	1.4
186.06772	21.6
187.07463	3.3
188.08345	3.8
189.09117	99.1
190.09499	2.9
191.10590	7.4
201.09109	42.0
201.16403	3.2
203.14340	5.2
219.10176	100.0
219.17433	24.1
220.10565	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	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01868	1.1
55.05496	3.8
57.03419	1.4
57.07055	1.1
64.21647	0.9
65.93455	0.8
66.14434	1.0
67.05506	4.9
69.03430	1.4
69.07059	4.9
70.24018	3.8
70.24360	1.2
71.04970	3.0
79.05486	4.7
81.07066	8.9
83.04962	2.0
89.79433	1.0
91.05481	16.5
93.07051	5.7
95.04951	2.7
95.08591	5.8
97.06522	2.0
98.20840	1.4
98.97578	1.7
103.05434	3.6
105.07034	15.5
106.54370	1.0
107.04932	2.8
107.08626	6.5
109.06494	2.6
109.10129	3.9
115.05442	10.6
116.06206	3.0
117.07013	6.9
119.08582	11.5
120.08091	1.4
121.06448	1.1
121.10149	7.0
123.04459	1.2
123.08054	3.0
125.09628	2.3
128.06209	9.6
129.07005	38.2
130.07787	1.6
131.04933	8.0
131.08569	37.2
131.09555	2.1
132.05670	1.2
133.06439	1.9
133.10120	15.9
135.08038	3.2
135.11678	2.2
137.05963	2.6
137.09612	1.5
141.06981	30.2
143.04913	2.2
143.08545	3.9
144.05716	6.5
145.06483	9.7
145.10120	6.5
146.07231	4.2
147.05511	4.4
147.08037	1.9
147.11678	4.5
148.05141	2.2
149.09590	1.3
149.13249	1.1
155.08568	1.1
156.05722	1.4
157.06483	18.3
158.07268	21.0
159.04420	5.7
159.08066	24.9
159.11664	6.5
160.05199	5.8
161.05959	1.9
161.09593	4.3
161.13229	4.4
162.06766	1.7
163.07520	2.9
163.11174	1.7
168.05779	1.0
169.06453	13.3
169.07704	1.9
170.07260	6.2
173.05974	5.9
173.09628	2.7
173.13222	4.4
174.06763	65.6
175.07533	13.2
175.14806	2.4
176.04677	2.0
177.00586	1.3
177.05568	1.6
186.06749	15.2
187.07460	2.8
188.08275	4.2
189.09099	76.4
190.09373	2.0
191.07016	2.6
191.10696	6.5
191.14279	1.9
201.09094	33.8
201.16347	4.1
202.09453	1.7
203.14326	14.5
219.06526	7.1
219.10152	100.0
219.13762	11.7
219.17416	57.5
219.20760	1.2
220.06044	1.3
220.10364	2.1
237.03777	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	219.1016
Annotation	Bitalin A
Peak:m/z	Relative Intensity
52.30571	0.9
55.05509	2.2
56.96567	1.1
57.19678	0.9
65.03918	1.0
67.05489	2.7
69.03423	0.9
69.07069	2.3
71.04976	1.6
71.48959	1.7
77.04376	0.8
79.05492	2.4
81.07062	4.5
91.05486	16.2
93.07056	5.3
94.58508	0.8
95.04941	1.6
95.08602	3.4
98.97566	4.9
103.05466	4.3
105.07030	10.8
107.04976	2.0
107.08587	4.2
109.06474	0.8
109.10146	2.5
115.05447	12.2
116.06214	2.9
116.98615	3.3
117.07022	6.4
119.04956	0.9
119.08588	5.8
121.06510	2.1
121.10184	4.2
123.64999	0.8
125.09625	1.6
128.06233	9.3
129.07011	44.4
130.04094	1.0
130.07779	2.1
131.04935	10.5
131.08575	42.5
133.06465	1.7
133.10144	10.8
134.99643	1.9
135.08075	1.4
135.11670	1.9
136.35104	1.2
137.05956	4.9
141.06995	35.4
143.04883	2.3
143.08524	3.0
144.05711	6.2
145.06490	10.9
145.10187	4.8
146.07254	6.0
147.04440	1.2
147.05528	1.9
147.08026	1.6
147.11681	1.6
148.05191	1.3
149.06035	2.0
155.06042	1.7
157.05260	1.8
157.06499	23.0
157.07777	1.3
158.07285	22.2
159.04451	4.7
159.08061	29.4
159.11751	4.8
160.05261	5.3
161.05899	2.1
161.09589	4.5
161.13235	2.7
163.07527	3.8
163.11169	1.3
168.05719	1.2
169.06491	16.2
170.07274	7.3
171.04443	1.3
171.08047	1.9
173.06009	7.7
173.09554	2.4
173.13199	1.7
174.06775	78.1
175.03806	1.0
175.07541	12.7
177.00606	1.1
185.05951	1.2
186.06779	19.9
187.07484	2.8
188.08345	4.4
189.09106	100.0
190.09473	2.7
191.03421	1.3
191.07037	2.4
191.10664	8.0
201.05470	1.8
201.09114	42.0
201.16423	3.2
203.14326	11.2
219.06616	3.0
219.10165	97.3
219.13771	3.0
219.17433	38.0
220.10504	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	219.1127
Annotation	cyclo-L-Phenylalanyl-L-alanine
Peak:m/z	Relative Intensity
53.03930	0.5
55.05513	14.7
56.96534	0.2
67.05488	0.2
67.68684	0.1
69.07050	0.3
69.44819	0.6
69.45245	0.7
73.06556	3.5
76.59105	0.2
79.05489	0.3
81.07053	0.3
86.09730	0.2
91.05471	0.5
93.07013	0.5
95.04962	0.3
95.08624	0.3
98.03414	0.2
98.21508	0.3
98.97572	0.8
104.04351	0.3
104.05000	3.4
105.07052	0.8
107.08559	0.5
115.05429	0.2
116.98647	0.8
117.07025	0.4
119.08571	0.7
120.04444	1.0
121.10155	0.4
129.04488	8.8
129.06992	0.6
130.02887	2.7
131.04921	0.2
131.08562	0.7
132.04442	0.2
132.05797	0.2
133.10155	1.0
134.99643	0.3
135.11688	0.3
141.06934	0.3
143.08563	0.2
145.06490	0.4
145.10092	0.5
147.05531	100.0
148.05922	1.4
158.07236	0.4
159.05536	7.9
159.07968	0.3
159.11719	0.6
160.06288	1.4
160.07590	1.2
161.13239	0.4
163.07558	0.2
166.49673	0.2
173.05898	0.4
173.13170	0.2
174.06819	0.4
175.14915	0.2
177.06607	5.2
178.06998	0.2
184.07591	0.2
185.07018	0.3
189.09154	0.7
191.10626	0.3
201.05435	0.6
201.10237	22.8
202.08627	0.6
202.10411	0.4
203.14265	1.1
219.11319	23.3
219.17406	4.4
220.11635	0.5
238.53329	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	219.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06407	0.1
50.54356	0.1
53.03919	0.2
55.05510	5.5
57.84739	0.1
65.03919	0.1
67.05483	0.3
69.07035	0.2
71.04969	0.2
71.48925	0.3
73.06557	2.0
79.05465	0.3
81.07075	0.7
83.04906	0.1
91.05434	0.5
92.04977	0.2
93.07011	0.5
94.63512	0.1
95.04960	0.2
95.08574	0.3
97.54065	0.1
98.97563	0.3
104.04987	0.9
105.07037	1.0
107.04942	0.8
107.08562	0.6
109.10102	0.3
113.09614	0.2
115.05441	0.4
116.98563	0.2
117.06986	0.4
119.08546	0.5
120.04440	0.4
121.10108	0.4
128.06171	0.2
129.04448	0.6
129.07027	0.9
130.02864	1.1
131.04889	0.2
131.08556	1.0
133.10146	1.2
135.08025	0.2
135.11684	0.2
141.06978	0.6
145.06482	0.2
145.10118	0.5
147.05528	100.0
148.05942	0.9
149.09586	0.1
157.06487	0.5
158.07269	0.3
159.05565	0.3
159.08055	0.5
159.11694	0.6
161.13251	0.2
170.07347	0.1
173.13237	0.3
173.71101	0.1
174.06769	1.2
186.06763	0.3
189.09099	1.6
201.08852	0.3
201.10306	0.5
201.16388	0.2
203.14304	1.1
219.11360	17.0
219.17390	3.9
220.11713	0.3
220.17978	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	219.1342
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.01875	0.9
55.05510	1.5
55.37168	0.5
56.05040	3.1
56.96572	7.0
57.03434	2.0
57.07067	1.3
58.06610	0.6
60.04525	100.0
61.02931	2.7
67.05503	1.5
69.03426	1.6
69.07072	2.5
69.43891	4.9
70.02969	0.7
70.98125	0.7
71.04983	0.6
72.04500	0.8
72.08157	10.3
73.02918	2.4
74.06078	11.0
79.05507	1.3
81.03423	0.5
81.07047	1.3
82.14688	0.6
83.05016	1.0
84.04508	1.7
84.08138	1.1
85.02909	1.8
85.06548	0.8
85.08453	0.6
86.09708	87.4
87.05590	3.8
90.05547	5.7
91.05499	0.9
92.01363	0.6
93.07063	1.1
95.04980	1.2
97.02909	1.7
98.97577	7.2
101.00865	0.6
105.07037	1.0
107.08556	1.1
108.66613	0.6
110.97527	0.7
115.02373	0.7
116.98622	6.8
118.03520	0.5
118.08647	1.8
119.01897	3.4
119.08597	1.4
121.01650	3.5
121.10124	2.1
123.31854	0.6
124.07626	0.8
125.01797	0.7
127.03968	1.0
127.12366	0.6
128.02304	1.0
128.10701	2.3
128.98613	1.3
131.01904	0.6
131.03459	0.6
132.10205	46.0
133.01682	1.0
133.03470	1.5
133.10165	1.6
134.99669	3.0
135.11720	0.6
139.02596	0.8
142.08630	0.8
143.01901	0.8
146.99632	1.8
147.03188	1.7
147.08084	0.6
154.94212	0.5
155.01828	0.8
155.11777	0.9
157.10583	0.7
158.99643	2.3
161.01244	1.5
161.02937	1.3
161.13239	0.8
165.04213	0.6
172.95366	0.9
173.01488	0.7
173.02965	3.2
173.12862	25.5
175.02773	0.8
175.11684	0.7
177.00731	2.6
180.01799	0.6
184.09686	1.7
189.00702	0.8
191.02306	0.7
191.03979	0.6
193.00156	0.7
195.01694	0.6
196.00888	0.9
196.04573	1.3
201.12384	4.6
202.10751	1.4
203.14285	8.0
208.05850	1.2
219.01750	0.9
219.10176	0.7
219.13383	9.7
219.17444	24.9
220.11684	1.0
221.48312	0.6
237.02745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1339
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.05529	0.8
60.04523	100.0
62.13903	0.5
67.05515	0.8
69.07079	1.2
70.02947	1.1
70.21799	0.9
70.22208	1.6
72.98103	0.5
74.06060	0.9
79.05489	0.5
81.07069	0.9
86.09703	67.4
86.57527	0.5
87.05598	3.7
91.05468	0.5
93.07030	1.1
97.37623	0.5
98.97608	0.8
105.07048	0.9
107.08588	0.5
116.98658	0.8
119.08584	1.7
121.10155	2.1
126.09148	0.5
128.10710	2.4
132.10199	50.9
133.10138	1.2
151.22269	0.5
155.06850	0.5
173.09680	0.7
173.12851	25.4
187.11194	0.5
201.12352	4.6
203.14319	5.8
219.11436	0.5
219.13419	8.5
219.17429	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	219.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01873	1.6
55.05507	3.2
56.05033	3.8
56.96567	22.5
57.03434	3.1
58.06578	1.2
59.04993	1.3
60.04529	15.0
61.02932	3.4
67.05487	1.7
69.03442	3.7
69.07076	3.9
69.59853	2.6
69.60278	2.6
70.06592	1.0
70.98126	1.4
71.01350	2.4
71.04993	1.4
72.08154	7.8
73.02923	3.0
74.06081	27.1
75.04497	0.7
79.05489	1.6
81.03416	1.0
81.07051	1.6
84.04498	2.2
84.08155	3.3
84.96040	1.5
85.02905	4.5
85.08450	0.7
86.06074	1.6
86.09706	100.0
87.04472	3.2
88.99169	0.8
90.05553	1.5
91.05490	2.0
93.07021	1.0
97.02897	4.8
98.97580	25.6
99.04507	0.7
100.02547	0.7
102.05571	0.8
105.07057	0.9
106.05034	1.3
107.08617	1.2
110.97580	1.9
111.02105	1.1
112.99186	1.3
115.00709	1.8
116.98628	16.9
118.01024	0.9
118.08659	3.7
119.01872	3.6
119.03594	0.8
119.08560	1.7
121.01733	1.1
121.10161	3.8
127.01518	1.2
127.03889	1.7
128.02303	1.1
128.10805	0.9
128.98584	3.0
130.08672	0.9
131.00171	2.6
131.01894	1.1
131.03433	1.0
132.10196	8.0
133.01732	4.5
133.03458	1.1
133.10156	2.6
134.99660	10.2
135.08124	0.7
136.06184	1.2
138.05350	1.0
140.05069	0.8
143.00227	0.8
143.01881	1.3
146.99611	4.3
147.03212	2.8
147.05780	1.9
148.03923	4.2
148.06116	1.2
149.01202	2.5
149.02869	0.7
151.02792	2.1
153.00777	1.4
155.04576	1.1
155.11821	0.9
157.04446	2.6
157.10550	3.0
158.99678	3.2
159.03160	2.6
159.05063	0.9
159.52829	0.8
161.01332	1.7
161.02939	2.3
161.13181	1.3
162.99226	0.8
163.02722	1.4
165.00711	2.4
165.04341	0.9
170.10844	0.8
172.95290	0.8
173.02957	1.4
173.12857	6.6
174.11224	1.1
175.08630	1.0
175.11565	3.3
177.00710	9.3
177.04289	6.1
188.12013	0.8
189.00545	1.6
191.02130	0.9
192.06750	0.8
195.01791	5.6
195.03314	0.9
195.05392	3.7
201.12321	1.2
203.14334	10.6
219.01826	3.6
219.05270	1.7
219.07227	1.1
219.11305	1.9
219.13300	4.5
219.17444	32.9
220.05994	1.1
237.02817	6.9
237.06456	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	219.1744
Annotation	Grimaldone
Peak:m/z	Relative Intensity
50.12300	0.3
51.02391	0.3
53.03937	1.3
55.01867	1.5
55.05243	0.4
55.05508	6.7
56.96567	3.2
57.03429	0.7
57.07073	0.7
63.16654	0.3
65.03943	0.7
67.05504	17.1
69.03416	1.1
69.06740	0.4
69.07069	5.3
69.99590	1.1
71.04985	0.7
77.03902	0.6
79.05492	20.6
81.03420	2.2
81.07053	18.2
81.07545	0.7
83.04987	1.5
83.08607	2.1
85.06538	0.6
87.28564	0.3
91.05479	23.4
92.05811	0.5
93.07042	21.1
95.04963	3.3
95.08602	11.1
97.06586	1.5
97.07082	0.4
97.10141	0.9
99.08019	0.4
105.04507	0.6
105.07027	9.0
107.04950	5.4
107.08588	12.0
109.06520	1.8
109.10153	3.2
111.08069	0.7
113.09604	0.5
115.05473	0.5
116.06239	0.3
117.07022	7.1
119.08584	8.9
121.06493	3.5
121.10144	9.7
123.08048	2.2
123.11703	0.8
123.66227	0.4
125.09657	0.3
129.07025	0.6
130.07784	0.4
131.08565	13.2
131.09555	0.6
133.10115	5.4
135.08032	0.6
135.11684	4.2
137.09610	1.3
145.06482	0.6
145.10126	6.5
147.05513	0.5
147.11671	0.8
149.09647	0.5
149.13251	0.9
153.12715	0.6
157.10027	0.4
159.11693	3.3
161.09529	0.4
161.13203	1.6
163.07355	0.4
163.11197	0.7
164.52800	0.3
172.94186	1.6
173.13249	1.4
174.06760	0.3
175.14818	0.9
187.11261	0.4
188.12041	0.4
190.95284	4.8
195.95955	0.5
201.09204	0.4
201.16389	2.4
203.12488	0.6
203.14322	9.4
204.14604	0.4
208.96353	0.4
213.96889	1.3
219.17435	100.0
220.17790	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	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
52.27051	0.8
55.01865	1.2
55.05509	0.9
56.01405	0.9
57.07074	6.9
59.04997	4.6
63.79894	0.8
67.05504	5.5
69.07059	5.7
70.02949	6.2
70.40091	3.3
72.04514	15.5
73.02910	2.8
74.02431	2.0
83.04987	1.2
85.06550	9.6
86.09705	1.5
87.08105	2.5
90.05556	100.0
95.04430	1.1
95.04966	7.2
96.08132	2.1
98.02416	14.8
100.03982	2.3
100.25510	0.7
103.07590	8.3
108.13617	0.9
113.06014	3.3
116.03461	15.9
116.44392	0.7
120.39401	0.8
124.07585	17.9
142.08638	7.9
146.06046	0.9
156.10214	1.2
158.11798	1.6
160.03239	1.3
160.09711	2.3
166.08659	2.8
174.11276	1.6
184.09685	19.2
202.08850	1.6
202.10759	30.0
220.11819	28.2
220.17770	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	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
60.96301	0.2
67.05470	0.2
70.98565	0.4
70.98914	0.2
79.05496	0.2
81.01331	0.2
81.07050	0.4
89.45058	0.2
91.05507	0.2
93.07038	0.2
95.08585	0.2
105.07018	0.3
106.06546	0.2
107.08583	0.3
109.06488	0.2
118.06541	11.3
119.07357	0.2
119.08560	0.2
130.06554	0.2
131.08566	0.2
132.08083	2.9
132.09023	0.2
133.08849	1.2
133.09880	0.2
134.09627	0.9
134.10544	0.2
144.08054	0.3
146.09618	3.2
146.10667	0.3
147.10397	0.4
148.11201	0.3
160.11212	0.7
162.09140	6.2
172.10875	0.2
176.10750	4.1
176.14337	29.2
177.09050	0.2
177.11452	1.4
177.14641	0.4
178.12146	0.2
180.07454	0.2
189.15157	0.2
190.12259	3.1
191.12984	0.3
197.72153	0.2
202.15800	0.9
204.92772	0.2
220.16949	100.0
221.17299	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.01552	1.4
53.03938	3.4
55.01875	2.2
55.05510	22.4
55.37649	1.5
56.96571	14.4
57.03430	4.0
57.07076	8.3
58.41805	1.4
59.05022	1.5
63.00687	1.9
65.03928	3.1
67.05503	43.4
69.03413	5.9
69.07065	30.2
70.85214	4.7
71.05000	14.6
71.08636	2.4
73.06555	2.6
77.03929	2.8
79.05492	37.0
81.03389	6.5
81.07056	100.0
82.07367	2.1
83.04976	6.9
83.08611	13.6
85.02874	3.0
85.06539	6.8
91.05480	32.3
93.07042	63.2
95.04976	9.3
95.08607	81.6
96.30386	1.7
97.06520	7.9
97.10192	4.1
97.27261	1.5
98.97599	7.7
99.08051	2.4
105.07030	72.9
106.07381	2.2
107.04945	4.4
107.08594	86.1
108.08976	2.3
109.06523	11.4
109.10159	60.3
111.08085	8.5
111.11703	4.0
116.98642	7.8
117.07024	6.3
119.08578	72.0
121.06483	5.6
121.10136	37.4
123.08083	7.4
123.11706	27.5
125.09618	5.9
127.11213	4.5
129.06975	3.2
131.08578	8.7
133.06473	5.3
133.10126	43.6
134.99655	7.4
135.08043	5.0
135.10718	3.1
135.11688	39.5
137.05969	4.3
137.09599	7.2
137.13255	4.9
143.08556	4.4
145.10139	9.5
147.08038	5.5
147.11693	67.0
149.02342	4.9
149.09592	2.2
149.13203	12.9
151.07558	2.4
151.11183	9.2
157.10143	3.7
158.99687	2.2
159.11700	6.8
161.01094	1.9
161.02406	2.3
161.06139	3.8
161.09557	8.1
161.13248	39.6
163.11223	4.9
163.14819	36.0
165.09079	4.4
165.12770	8.0
175.02818	7.4
175.07503	3.2
175.11180	5.0
175.14862	20.0
177.00699	3.8
177.16383	6.1
178.07742	4.5
179.10631	2.1
185.13251	5.4
193.03821	5.0
193.08655	3.2
193.19337	1.7
199.06364	2.0
203.10568	2.4
203.14415	11.2
203.17955	91.1
206.10907	3.3
206.16231	2.0
217.07521	5.0
221.04433	4.7
221.07819	2.9
221.09714	3.8
221.11705	7.5
221.13446	2.7
221.15450	29.5
221.18996	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	3.9
55.01855	3.0
55.05500	17.7
56.96555	5.5
57.07058	3.7
59.04994	3.9
67.05503	32.5
69.03415	3.7
69.07066	24.0
71.04998	3.7
71.34327	2.2
71.34668	2.5
79.05490	29.0
81.07056	90.8
83.04963	4.5
83.08621	13.6
85.06538	6.0
86.94996	1.7
91.05476	27.2
93.07043	55.7
95.04991	7.6
95.08603	93.5
97.02889	13.2
97.06541	8.2
97.10159	4.7
105.07030	62.6
107.04955	1.8
107.08594	74.8
109.06519	5.0
109.10154	57.9
111.04445	4.8
111.08089	9.8
111.11684	2.6
116.98611	4.5
117.07019	4.5
119.07716	3.3
119.08577	52.4
121.06481	1.9
121.10141	40.2
123.08063	5.3
123.11707	21.7
125.06051	2.0
125.09620	8.0
129.07053	2.6
130.43340	1.7
131.08563	6.0
131.67557	1.5
133.06525	1.7
133.10114	37.4
134.99593	1.9
135.11696	31.1
137.05957	4.2
137.09642	2.7
137.13235	5.7
139.11217	2.3
143.08557	2.0
145.10117	3.2
147.11684	64.8
149.09605	1.6
149.13268	10.7
151.11221	4.0
151.47916	1.6
157.10114	3.9
159.11638	2.7
161.09593	2.5
161.13252	26.9
163.14824	44.6
165.12775	13.9
175.11157	16.0
175.14835	13.4
177.16376	7.7
185.13326	1.7
188.26064	1.5
191.17926	2.0
193.12238	31.5
203.07106	1.9
203.10619	3.0
203.17952	100.0
206.10934	2.2
211.13274	4.0
221.04367	2.9
221.11638	14.5
221.15382	6.7
221.19003	58.7
224.53641	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03942	1.2
55.01865	0.9
55.05514	10.0
56.96564	1.7
57.07053	2.9
59.04998	1.5
61.40301	0.8
65.03909	0.8
67.05496	9.4
69.03409	2.0
69.07069	11.0
70.78521	2.0
70.78865	1.4
71.04991	15.8
71.68519	0.7
79.05492	13.4
81.07056	40.6
83.04974	2.5
83.08608	5.3
85.02884	1.3
85.06535	1.5
91.05482	11.1
93.07045	29.2
94.07399	0.9
95.04969	3.7
95.08604	25.3
97.02913	1.9
97.06532	1.9
97.10177	2.0
98.97555	1.0
99.08103	2.2
103.75494	0.8
105.07030	19.9
107.04932	1.7
107.08591	57.7
108.08932	1.0
109.06517	3.6
109.10152	16.6
111.08087	3.5
115.05457	1.6
117.06992	1.7
119.08583	25.1
121.06505	1.3
121.10130	10.2
123.08098	3.9
123.11708	13.4
127.11200	2.5
129.07057	1.1
131.04979	0.9
131.08531	1.3
133.06494	2.9
133.10124	19.3
135.11691	100.0
136.11967	0.9
137.05975	1.8
137.09615	4.5
137.13261	2.6
145.10129	3.1
147.08049	1.2
147.11679	16.9
149.02304	2.6
149.13258	6.4
151.11180	5.4
159.11726	2.1
160.12589	1.2
161.02209	1.0
161.05939	4.4
161.09647	1.9
161.13255	12.6
163.11220	1.7
163.13568	0.8
163.14792	5.1
165.06973	1.1
165.09114	1.0
165.12753	2.1
165.31795	0.9
175.07512	1.9
175.11223	1.0
175.14801	2.5
177.09113	5.0
177.16426	1.9
189.05548	1.5
193.04922	1.3
193.08615	2.0
203.14310	2.1
203.17970	28.8
206.05721	0.9
221.04370	1.9
221.06210	1.7
221.08044	2.2
221.11623	3.3
221.15363	4.7
221.19022	35.5
222.11339	1.8
231.08997	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.98322	0.7
53.00291	1.1
53.03927	2.4
55.01849	3.1
55.05510	20.0
56.96560	4.5
57.03419	1.6
57.07075	4.6
59.04984	1.8
65.03928	1.9
67.05505	18.1
69.03430	22.9
69.07069	15.6
70.74370	2.1
71.04622	1.0
71.04993	16.4
77.03862	0.9
78.04675	0.9
79.05493	29.1
81.03416	1.6
81.07056	71.9
83.04980	11.6
83.08627	9.2
85.02890	2.2
85.06521	2.8
87.08097	0.9
91.04921	1.1
91.05479	22.1
93.07042	40.3
95.04965	7.0
95.08606	33.9
96.28867	0.7
96.41771	0.7
97.02847	0.9
97.06522	4.3
97.10149	3.4
98.97581	4.8
99.04441	1.1
99.08102	4.4
102.04713	1.0
103.05462	1.9
104.06287	1.7
105.03391	1.5
105.07025	30.1
107.04961	6.3
107.08591	68.7
109.06510	16.0
109.10156	30.7
110.07317	1.1
111.08076	11.5
111.11722	1.2
113.09623	1.5
115.05422	1.4
116.98629	2.6
117.07002	3.1
119.04935	3.1
119.06108	0.9
119.08578	42.0
119.68147	0.7
121.02868	0.8
121.06502	4.4
121.10142	19.8
122.07275	2.3
123.04454	0.8
123.08062	13.8
123.11705	15.3
125.05998	0.7
125.09630	4.9
127.07540	0.8
127.11200	3.7
128.02306	2.1
128.06244	2.4
129.07010	1.5
130.04083	1.1
130.06508	0.8
130.07742	0.7
131.04947	2.1
131.08591	3.1
132.05714	1.3
133.06516	4.0
133.10126	29.1
134.99632	1.0
135.04430	2.4
135.08047	3.5
135.11688	100.0
136.12007	1.2
137.02887	1.3
137.05981	17.9
137.09608	18.2
137.13251	4.1
138.10370	2.3
139.11198	2.3
143.08575	2.8
144.05659	0.8
145.10107	4.9
147.04375	6.4
147.08032	5.8
147.11676	19.3
149.02333	8.0
149.06006	1.6
149.09645	2.3
149.13284	5.4
151.07547	5.8
151.11183	6.2
151.14795	1.9
157.10141	1.7
158.99643	1.8
159.08102	1.2
159.11690	3.4
160.05215	1.7
160.12497	1.6
161.02338	0.9
161.05940	5.4
161.09645	5.0
161.13264	18.8
162.06747	4.4
162.13541	0.9
163.03928	5.7
163.07568	1.2
163.11171	8.1
163.14836	5.1
165.05479	1.2
165.06921	1.2
165.09077	3.9
165.12759	2.1
171.08057	1.1
175.03993	1.6
175.07549	3.0
175.14841	7.7
176.04720	0.9
177.00743	1.4
177.05453	2.3
177.09061	4.3
177.12787	1.8
177.16476	2.4
178.06262	3.6
178.15883	0.8
179.10730	2.1
179.14262	1.5
185.13329	3.5
189.01863	1.1
189.05460	1.6
189.07733	0.9
190.06267	9.9
191.03441	7.1
191.07016	1.6
193.08621	8.4
193.15884	5.6
203.10681	4.5
203.14400	5.6
203.17952	33.5
206.05800	5.5
219.01855	1.0
221.04546	2.2
221.08084	21.7
221.11897	4.6
221.15417	35.3
221.18982	37.1
222.08513	1.1
222.11192	2.0
222.15666	0.8
222.19431	0.8
231.09071	0.8
237.02815	0.9
243.12933	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03963	1.5
53.60463	1.5
55.05506	15.0
57.07062	2.6
59.04992	2.1
63.92816	1.8
67.05510	11.1
69.07087	12.0
69.45074	11.8
71.04993	22.2
79.05147	1.5
79.05503	14.8
79.16922	1.7
81.07057	61.9
83.04973	3.0
83.08620	7.6
85.06532	1.7
91.05502	12.2
93.07043	35.0
95.04984	1.8
95.08018	2.1
95.08610	31.3
97.06512	5.7
97.10183	1.8
97.73389	1.6
99.08089	4.5
103.05463	3.3
104.04050	1.7
105.07031	26.5
107.08595	54.9
109.06516	3.8
109.10162	25.6
111.08107	4.0
113.09653	2.3
117.07048	3.7
118.06538	5.2
119.06870	6.3
119.08587	40.0
121.10142	11.5
123.08086	3.1
123.11716	17.3
127.11170	4.4
131.04959	2.0
132.08060	1.5
133.06511	2.2
133.10124	22.4
135.11696	90.8
137.09628	5.5
137.13229	5.2
139.11171	2.0
145.10106	3.7
147.08000	2.0
147.11674	24.2
149.02354	3.4
149.13274	6.9
151.11154	3.2
152.11755	1.6
158.08920	1.6
159.11752	1.7
160.12405	1.9
161.05945	2.7
161.09718	1.8
161.13264	16.6
163.03851	2.1
163.09424	2.4
163.14844	6.7
165.12805	1.6
175.07520	3.3
175.14848	5.4
176.04715	2.6
176.14336	5.2
177.11095	2.0
177.14708	21.0
177.16200	2.9
191.03426	4.9
191.12541	2.2
203.10657	2.3
203.14305	2.1
203.17960	32.8
206.05742	17.7
221.08047	11.0
221.15524	3.8
221.17285	100.0
221.19072	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.80795	1.4
55.01878	2.2
55.05509	12.4
57.07070	4.2
65.03931	1.9
67.05506	10.8
69.07065	13.4
70.25946	1.5
71.04993	22.2
73.06557	1.5
73.82726	1.5
79.05483	15.9
81.07055	57.3
83.04984	3.1
83.08606	7.4
91.05470	11.8
93.07040	41.1
95.04999	1.4
95.08611	27.8
97.06529	3.3
97.10175	1.8
99.08092	3.0
105.07029	21.1
107.08592	56.4
109.06526	4.5
109.10153	23.8
111.08089	2.9
111.11717	1.5
119.08578	38.5
119.09399	3.1
121.06538	1.7
121.10130	11.2
123.08064	2.7
123.11703	16.5
125.09642	3.0
127.11211	5.2
129.41417	1.3
131.08554	1.9
133.10109	22.0
135.11690	100.0
137.09622	5.0
137.13243	4.8
139.11162	1.8
140.21965	1.5
147.11681	22.5
149.02272	2.2
149.13258	9.6
151.11177	5.2
161.05994	3.7
161.13251	14.3
163.09430	1.6
163.14821	3.4
165.12769	3.2
167.52420	1.5
175.07550	2.7
175.14813	5.3
177.14670	2.9
177.16299	2.8
203.14426	2.1
203.17950	35.0
221.11707	2.9
221.15405	2.5
221.17233	10.3
221.19031	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03929	3.8
55.05516	14.0
56.96553	2.7
57.03413	1.5
57.07066	4.3
59.04988	1.6
67.05511	15.6
69.03411	2.9
69.07068	16.7
70.63313	5.2
71.04993	36.6
73.06572	2.1
77.64268	1.4
79.05497	20.7
81.07061	90.9
83.04975	3.1
83.08620	5.4
85.06586	1.6
91.05480	17.8
93.07049	49.7
95.04961	2.3
95.08610	39.0
97.06538	4.5
97.10194	3.7
98.97569	3.6
99.08097	6.3
105.07039	42.8
107.05058	1.7
107.08599	69.0
109.06524	4.1
109.10168	28.7
111.08092	3.3
111.11718	2.3
117.07008	3.6
119.01788	1.6
119.08583	65.0
121.10143	12.8
123.08105	3.5
123.11703	16.0
125.09660	2.2
127.11202	6.5
128.02283	2.4
129.06970	1.8
131.08615	1.5
133.06519	2.6
133.10139	27.7
135.11694	100.0
137.09633	4.6
137.13197	3.2
147.08092	2.3
147.11687	29.6
149.02373	2.8
149.13283	11.6
151.11168	2.5
161.05933	2.6
161.13246	15.8
163.14857	5.5
165.09093	2.4
165.12738	3.1
175.07616	2.8
175.14844	8.3
177.09094	2.0
177.16391	2.4
193.08670	1.8
203.10747	1.8
203.14215	1.9
203.17960	44.3
221.11806	1.9
221.15430	6.1
221.19023	77.2
231.05460	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05515	27.5
56.96553	3.5
57.07074	5.6
60.37411	2.2
67.05512	25.0
69.03423	6.8
69.07073	20.0
70.22586	5.4
70.22983	4.1
71.04990	30.8
79.05489	26.5
81.07059	86.7
83.04984	11.0
83.08604	9.6
85.06557	3.2
91.05487	22.5
93.07051	53.8
95.04986	9.2
95.08615	42.6
97.06543	5.8
97.10187	3.2
98.97593	5.5
99.08090	5.9
103.05489	2.7
105.07030	52.3
107.08598	69.0
107.09320	3.9
108.08926	2.9
109.06519	13.2
109.10152	36.4
111.08080	5.6
115.05478	2.7
116.98628	5.3
117.07034	6.3
119.08578	75.1
121.06473	2.4
121.10146	26.2
123.08075	5.8
123.11695	20.9
125.09637	4.4
127.11205	6.3
129.07034	2.7
131.08597	5.8
133.06519	5.4
133.10123	42.8
135.08104	5.1
135.11693	100.0
137.09615	9.6
137.13286	4.8
143.08577	4.4
145.10127	6.8
147.08040	26.0
147.11687	33.3
149.02333	42.7
149.13257	15.5
151.11246	11.3
157.10181	3.0
159.11708	3.4
161.06018	9.0
161.09596	6.6
161.13242	26.4
163.14803	5.2
165.09111	14.6
175.07539	6.5
175.11192	9.7
175.14760	11.4
177.09119	40.0
177.16357	2.3
179.10788	4.3
185.13329	2.9
189.05515	3.6
191.14375	3.5
193.08582	3.0
193.15854	3.1
203.14378	9.6
203.17975	40.2
206.05394	2.7
221.08069	4.8
221.11797	5.3
221.15559	29.9
221.19046	80.3
222.07646	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	1.6
55.05513	9.1
56.96563	1.6
57.03440	0.9
57.07060	3.1
63.17771	0.8
67.05255	0.7
67.05509	7.9
69.04617	0.8
69.07078	7.6
70.69559	1.4
70.69927	1.7
71.04620	1.3
71.04994	17.6
79.05495	13.8
81.07059	43.3
82.07355	0.9
83.08604	3.7
91.05483	7.7
93.07045	32.7
95.04955	1.9
95.08613	22.3
97.10172	1.4
98.97579	1.3
99.08083	3.8
101.80938	0.9
102.01041	0.8
105.07032	16.0
107.08598	56.1
109.06524	3.1
109.10161	17.0
111.08092	2.7
113.09640	1.1
117.07056	1.1
119.06048	1.1
119.08589	30.6
121.10140	6.6
123.08060	1.2
123.10845	1.4
123.11707	16.2
124.12061	1.2
127.11191	3.4
131.08568	1.0
133.10129	22.3
135.11696	100.0
136.12045	2.0
137.09641	4.0
137.13261	3.6
137.46678	0.9
139.11226	1.0
145.10080	1.6
147.11702	18.0
149.13229	4.9
151.11237	3.9
160.12421	0.8
161.13269	11.7
163.14813	3.6
165.12753	2.3
175.02774	0.9
175.14825	3.2
179.14272	0.9
203.17970	30.5
204.18268	1.0
204.41486	0.9
221.19011	40.7
244.17476	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.43529	1.5
53.03946	2.4
54.40714	1.8
55.05517	11.1
55.66904	1.7
56.96563	4.7
57.07082	3.0
67.05507	11.1
69.03451	1.8
69.07078	9.7
70.70087	4.7
71.04993	17.2
79.05500	16.1
81.07062	48.4
83.04996	3.4
83.08615	5.6
85.06549	3.4
88.24116	1.4
91.05493	9.1
93.06492	3.1
93.07053	35.6
95.04963	3.4
95.08614	28.7
97.06512	2.7
97.10155	2.3
99.08104	4.3
105.06406	2.5
105.07037	19.4
107.08602	50.3
107.09328	3.1
109.06518	3.3
109.10166	23.2
111.08113	2.5
113.09641	1.8
119.08595	32.9
121.10165	8.9
123.08085	3.8
123.11716	14.5
125.09641	2.3
127.11200	4.5
133.10129	22.9
135.11699	100.0
137.09583	4.5
137.13268	1.9
143.08488	1.8
147.11679	17.6
149.13251	6.1
151.11183	4.6
153.38103	1.6
159.11719	2.1
161.05925	3.1
161.13257	11.4
163.14835	6.4
165.12762	3.5
175.02760	6.0
175.14922	2.7
177.16360	3.3
193.03888	6.2
203.17953	34.6
221.15416	4.3
221.19020	51.9
227.26149	1.7
237.08371	1.5
237.18793	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	(Z)-Lanceol
Peak:m/z	Relative Intensity
55.05519	11.1
57.07068	2.5
67.05506	8.6
69.07069	13.2
70.69954	3.3
70.70299	2.3
71.04993	38.5
73.06572	2.3
77.45851	1.3
79.05498	13.5
81.07063	75.4
83.08610	4.2
85.06539	2.4
88.60168	1.5
91.05479	11.2
93.07047	44.4
95.04954	1.6
95.08611	34.6
97.06529	3.5
97.10169	4.0
98.97580	2.1
99.08097	5.9
105.07040	36.4
107.08598	59.4
109.06507	2.8
109.10161	29.3
111.08074	2.4
111.11697	2.3
113.09618	2.6
117.07064	1.8
118.43737	1.3
119.08585	59.4
121.10141	10.2
123.08069	1.8
123.11710	17.8
127.11213	9.0
133.10126	21.8
135.11696	100.0
137.09662	3.3
137.13301	2.9
145.10153	2.4
147.11696	26.7
149.13277	14.3
151.11172	2.8
161.13254	12.9
163.14832	5.3
165.12825	2.8
175.14828	3.4
177.16429	3.5
203.17958	51.3
221.19017	90.0
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	(-)-(E)-Lanceol
Peak:m/z	Relative Intensity
55.05516	9.7
57.07070	3.1
60.16153	1.5
67.05497	10.6
67.08930	1.5
67.11642	1.8
69.07072	13.6
69.45208	11.0
69.45613	2.5
71.04997	33.5
79.05125	1.5
79.05504	13.9
81.07061	82.6
83.08616	3.9
91.05471	11.6
93.07049	50.9
95.08609	42.1
97.06527	6.9
97.10190	2.4
98.42995	2.0
98.97583	2.6
99.08083	3.2
103.05469	2.3
105.07033	33.7
107.07903	2.7
107.08601	45.8
109.10159	30.7
111.08097	4.3
111.11684	2.8
113.09679	3.9
116.98627	1.9
117.06985	3.0
118.32909	1.6
119.08589	68.7
121.10126	11.6
123.11713	14.5
125.09661	2.2
127.11201	8.7
133.10112	17.7
135.08005	1.7
135.11699	78.5
137.13284	3.0
140.56091	1.5
142.52628	1.8
145.06380	1.6
147.11697	26.9
148.48129	1.6
149.13257	16.0
158.39903	1.4
161.13275	13.9
163.14804	5.6
165.12605	1.4
175.14836	7.0
177.16331	4.2
203.17963	53.3
221.19016	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05518	10.7
57.07067	4.9
57.86940	1.8
59.57260	2.0
60.14697	2.1
65.08307	2.6
67.05518	12.4
69.07073	13.5
69.45354	17.2
71.04988	34.2
79.05501	16.6
80.66193	2.0
81.07059	72.5
83.04977	3.2
83.08620	4.2
91.05472	11.6
93.07044	43.9
95.08610	34.5
97.06495	2.3
98.97550	2.8
99.08065	6.9
105.07030	35.7
107.07895	4.0
107.08594	64.5
109.06487	3.4
109.10155	30.5
111.11741	2.2
113.09673	2.3
119.08582	47.9
121.10179	13.8
123.08056	3.2
123.11716	16.6
127.11194	9.4
133.10136	19.3
135.11691	100.0
137.09608	5.9
137.13281	3.2
147.11694	27.3
149.13249	12.1
151.11160	4.7
159.53532	2.2
161.13286	14.6
163.14825	8.3
175.14793	6.2
175.23586	2.3
177.16312	4.4
203.17960	46.9
221.15472	4.9
221.19003	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	222.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
56.96564	14.3
57.03440	10.1
61.02926	19.9
61.65336	1.3
69.03432	7.1
70.06583	2.4
71.04974	1.4
71.07380	3.6
71.19611	2.9
73.02922	15.4
74.06080	2.5
81.03419	3.0
84.96040	1.5
85.02908	16.8
86.09704	17.6
87.04476	2.1
90.01569	1.8
96.01583	1.8
97.02889	12.5
98.97584	16.5
99.04472	3.0
104.01279	2.3
104.10731	3.9
109.02906	1.7
110.01275	3.2
110.97581	2.5
113.02439	1.8
116.98608	11.3
119.00170	3.0
119.01825	11.9
121.01647	1.8
121.22868	1.3
124.95480	1.4
125.01732	2.8
127.03927	4.9
128.02330	16.9
128.98570	5.4
131.01897	2.4
133.01726	1.6
134.99658	6.0
137.02782	7.4
140.55037	1.6
141.03084	17.0
141.53357	2.2
142.96457	1.6
143.00107	2.4
145.05096	1.9
146.99689	6.1
150.03630	14.4
152.02306	2.1
153.01144	1.6
157.03365	1.5
158.99672	3.6
161.01176	4.7
161.02855	3.2
162.01747	4.5
162.03275	2.3
162.94598	18.8
165.00710	2.2
168.03722	1.5
170.99727	2.9
171.02393	3.0
173.02911	2.8
175.11398	1.6
176.03381	1.9
177.00717	4.7
177.02293	2.4
177.04166	2.9
177.06087	1.6
178.06241	2.0
182.03397	1.7
183.02350	4.6
188.97096	1.7
189.00685	5.4
190.63452	1.4
192.02795	3.3
193.00186	2.2
201.00728	2.6
202.98611	2.1
204.02800	3.6
204.11343	2.8
205.05759	1.7
207.01750	1.9
213.03412	2.1
213.05203	4.0
219.01738	3.5
222.01971	100.0
222.05562	3.5
222.11314	6.0
235.01241	2.5
237.02811	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	222.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35849	0.4
53.03947	0.8
53.51917	0.5
55.01880	1.0
55.05512	14.2
56.05031	0.6
56.96564	5.3
57.03429	0.5
58.06596	0.6
58.99585	0.9
59.01352	0.4
59.06133	0.5
60.04523	0.8
61.02937	0.7
64.78667	0.4
67.05503	2.3
69.03432	1.6
69.07068	1.1
69.71481	2.9
70.06609	0.8
72.08151	1.1
73.02906	1.3
74.37905	0.5
79.05492	1.8
81.03422	0.7
81.07048	1.6
81.09715	0.4
83.04987	0.9
83.08619	23.5
84.08139	0.9
84.96019	0.5
85.02891	2.1
85.06457	0.4
86.09696	0.5
86.99072	1.2
91.05479	2.2
93.07053	3.1
95.04965	1.6
95.08619	1.6
97.02916	2.6
97.06534	0.5
97.07664	0.5
98.20905	0.7
98.97587	7.7
101.02380	0.8
101.09661	3.3
103.05458	2.3
104.05013	0.8
105.00104	2.1
105.07037	1.8
106.06564	0.9
107.04956	1.4
107.08599	1.1
109.06558	0.6
109.10172	0.6
109.34383	0.4
110.06049	0.6
111.04421	0.6
111.08088	0.5
115.05467	0.6
116.98617	5.8
117.07008	0.6
118.06530	1.1
119.01875	0.6
119.04938	0.6
119.08581	1.3
120.04450	0.5
120.07262	1.0
120.08105	13.0
121.02837	0.6
121.06512	1.1
121.10169	1.3
123.07967	0.4
123.11715	0.8
128.02289	1.0
128.98631	1.3
129.10231	0.9
130.06529	100.0
131.04929	3.4
131.06859	2.2
131.08488	0.6
132.04449	18.8
133.06558	0.5
134.06044	0.5
134.99632	4.5
135.04373	0.6
135.08049	0.8
137.05966	1.0
138.05508	0.9
139.03860	0.6
141.05576	0.6
145.06531	0.8
145.10074	0.6
146.06021	0.9
146.99689	2.4
147.03185	0.4
147.04417	0.6
147.11673	0.5
148.07571	29.3
149.05917	0.5
150.06207	0.6
153.00722	0.9
153.70360	0.5
158.06018	30.9
158.99654	2.7
159.06483	0.9
159.11671	0.6
162.05482	1.5
163.03894	2.0
163.05072	1.5
163.07530	1.8
165.00739	0.8
165.09137	0.5
167.04576	0.8
176.07068	90.6
177.00699	4.6
177.05562	0.5
177.07385	1.9
177.09019	0.9
178.09604	2.1
180.06528	0.6
187.07707	0.9
187.66071	0.5
189.00725	1.1
189.04213	0.7
191.03467	1.6
192.10036	0.5
194.05124	0.9
195.01750	0.6
198.04613	0.7
200.03885	4.9
202.04849	0.6
202.06766	0.7
204.06619	0.9
205.04933	1.6
205.08989	3.2
205.12236	0.9
211.07318	0.6
219.01738	0.8
222.07632	8.6
222.11256	6.3
222.13400	0.9
222.18501	0.5
223.06055	1.3
223.09273	0.5
223.13240	2.7
237.02792	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	222.0761
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.05502	0.6
56.96567	1.3
65.91481	0.4
66.20105	0.4
67.05494	1.1
69.03426	0.8
69.07072	0.9
70.06578	0.6
70.74407	0.8
75.52362	0.4
79.05485	1.6
84.08129	1.9
85.02894	0.9
86.09698	1.2
91.05486	1.7
93.07039	1.9
95.04973	0.9
95.08617	0.6
98.97572	4.7
103.05490	1.0
105.07030	0.9
106.06558	0.8
106.98421	0.4
107.08623	0.7
110.76677	0.4
115.05461	0.8
116.98643	2.9
118.06578	1.1
119.08590	0.7
120.08100	11.9
120.08947	0.6
121.06531	0.7
128.02309	1.0
128.98602	0.8
129.10269	1.0
130.06525	100.0
131.06897	1.4
132.04449	16.6
133.97467	0.4
134.05966	0.7
134.99670	1.0
145.06442	0.7
146.06024	0.9
147.04356	0.5
148.07568	25.8
149.02332	0.7
149.07866	0.5
158.06013	30.9
158.99689	1.2
162.05460	0.8
163.03906	0.8
176.07068	83.6
177.00694	2.5
177.07365	1.2
178.09387	1.7
189.00728	1.1
190.08606	0.6
202.06607	0.6
204.06560	1.9
205.08640	0.7
206.08206	0.6
210.06429	0.9
222.07625	8.7
222.11113	4.2
223.06081	1.0
223.13292	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	223.1077
Annotation	Phe-gly
Peak:m/z	Relative Intensity
55.01862	0.4
55.05499	1.3
56.96565	2.3
57.07072	1.5
67.05505	1.8
68.05006	0.3
69.03423	0.8
69.07061	0.8
70.06585	0.7
71.04983	0.5
71.08610	0.3
71.41087	0.4
73.02911	0.5
79.05493	2.0
81.03403	0.6
81.07059	2.0
83.04980	0.8
83.06103	0.4
83.08616	0.4
84.08128	1.4
85.02877	0.6
86.09685	0.5
91.05483	1.5
93.07053	2.6
95.04959	0.9
95.08599	1.4
96.04414	0.3
97.02899	1.1
97.06553	1.4
98.97585	2.2
98.98188	0.3
98.98396	0.2
99.04452	0.3
103.05454	3.5
105.07029	1.1
107.04955	3.0
107.08562	1.6
109.06532	1.0
109.07645	0.3
109.10160	0.7
110.06029	0.4
111.08079	1.0
116.97910	0.3
116.98638	1.9
117.07030	0.5
119.08569	0.4
120.05705	3.2
120.08103	100.0
121.02859	0.7
121.06506	0.7
121.07588	0.3
121.08426	1.0
121.10132	0.9
122.07156	1.0
123.08080	0.5
123.11695	0.3
125.05978	0.4
125.09624	0.8
128.98619	0.3
131.04933	1.5
131.06914	0.4
131.08571	0.5
133.10165	0.6
134.99641	2.2
135.04396	0.8
135.08096	0.4
135.11679	0.7
139.03828	0.4
146.99657	0.6
147.04445	0.4
148.07587	0.3
149.02359	3.1
149.06004	1.8
149.09668	0.4
149.13333	0.5
153.05524	0.3
156.50273	0.3
158.99667	0.8
160.07516	0.4
161.01285	0.4
163.03915	1.3
164.10637	0.3
165.06967	0.4
166.08641	32.6
167.05684	0.6
167.07066	0.6
167.08675	0.4
173.13298	0.5
177.00685	1.7
177.07574	0.6
177.10243	11.6
180.09340	0.4
191.03362	0.4
192.13895	0.7
193.12178	0.4
205.07196	4.2
205.19681	0.3
208.03653	0.4
208.14578	0.4
223.02470	0.4
223.06023	0.9
223.07889	1.3
223.11044	1.7
223.14586	0.4
223.16762	5.7
223.20601	1.8
225.04303	3.4
227.02199	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	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03937	0.9
54.69969	0.3
55.01876	1.8
55.05513	5.0
56.34188	0.3
56.96562	1.8
57.07069	1.0
60.81781	0.2
63.00017	0.3
65.03933	1.2
67.05506	6.7
69.03407	0.6
69.07069	3.5
70.65906	0.3
70.66270	0.9
71.05008	1.7
76.31780	0.2
79.05495	6.0
81.03416	3.9
81.07060	10.8
83.04973	2.5
83.08618	2.5
85.02911	2.3
85.06550	0.9
87.08086	0.2
88.92591	0.3
91.05473	4.8
93.07041	5.6
95.04968	100.0
95.08611	6.3
96.05302	0.8
97.02893	0.5
97.06541	1.8
97.14101	0.3
99.04437	0.4
99.08139	0.4
101.75574	0.3
105.07030	3.0
107.04960	1.6
107.08588	2.7
109.06518	4.1
109.10148	1.2
111.00280	0.3
111.04437	0.5
111.08064	0.9
116.98624	0.5
117.07004	2.6
119.08593	3.9
121.06491	3.3
121.10134	3.0
123.08070	3.5
123.11671	0.4
129.06998	0.9
130.07796	0.4
131.08577	1.5
133.10155	1.0
134.99651	0.3
135.08070	1.6
135.11705	3.5
137.09619	0.3
139.07536	0.5
143.08557	0.8
145.06516	0.3
145.10133	6.1
147.08028	3.7
147.11646	0.3
148.87033	0.3
149.01277	0.6
149.02333	0.7
149.09637	0.8
149.13231	0.5
154.07806	0.4
159.08046	0.3
159.11732	1.7
161.09644	0.8
163.03897	0.4
163.11185	12.4
164.05130	0.4
164.11668	0.3
165.09146	0.8
167.05663	0.3
167.07085	0.3
167.08525	0.4
169.10150	0.7
177.12743	1.7
181.12306	0.5
187.11162	2.0
190.57652	0.6
191.03607	0.3
191.07976	0.3
193.10190	0.3
199.58276	0.3
205.12239	2.8
205.16019	0.3
209.04448	0.5
214.70427	0.3
223.06000	0.8
223.07834	0.5
223.11252	0.8
223.13223	5.2
223.16803	3.6
223.20604	0.8
225.04263	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	223.1328
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03926	3.0
55.01857	4.7
55.05516	24.6
57.03419	8.5
57.90447	1.9
59.04999	3.2
66.82072	2.0
67.05501	6.2
69.03429	11.0
69.07069	17.3
71.04980	2.6
71.09600	2.1
71.09898	2.8
72.03448	2.0
72.08170	2.0
79.05485	9.7
81.03430	6.6
81.07056	9.8
83.01332	3.6
83.04986	18.5
83.08572	2.1
85.02454	3.3
85.02914	47.3
85.06541	2.5
91.05483	14.1
93.07053	34.8
95.04952	15.7
95.08609	14.5
97.06528	5.4
97.10172	23.0
105.07043	15.5
107.08600	19.3
109.06536	11.1
109.10155	3.9
111.08078	9.6
113.06013	4.4
116.98655	2.2
117.07053	4.3
119.08606	12.7
121.06511	48.7
121.10146	12.8
123.08070	12.7
123.11732	4.3
125.09659	3.1
131.04849	2.7
131.08592	6.0
131.51721	2.4
133.10156	16.4
135.04497	2.6
135.08070	13.3
135.11719	14.2
137.09634	8.1
139.07558	11.1
139.11171	2.2
144.09363	3.1
145.10127	11.4
147.08061	3.2
149.05981	4.6
149.09618	31.2
149.13213	2.6
151.07585	2.7
151.11226	4.7
153.09125	4.5
159.11681	15.0
161.09605	7.6
163.07634	3.7
163.11169	16.7
165.09155	10.7
167.07018	5.9
172.08836	3.0
177.12738	20.1
179.10649	10.6
179.83919	2.2
181.12280	3.8
187.11189	6.9
195.13803	7.0
205.12257	29.0
223.13292	100.0
223.16840	5.4
224.13644	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	223.1328
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03942	0.6
55.01870	1.2
55.05251	0.3
55.05512	6.0
56.96559	0.8
57.07067	0.7
65.03931	0.7
66.04718	0.5
67.05506	4.5
69.03394	0.4
69.06706	0.4
69.07070	5.6
71.04983	0.4
79.05496	3.5
81.03421	9.7
81.07050	4.4
83.04998	1.5
83.05401	0.3
83.08609	2.4
84.08135	0.3
85.06570	0.3
91.05486	2.7
93.02815	0.3
93.07040	2.9
94.04173	3.2
95.04967	14.4
95.08607	2.8
97.02917	0.2
97.06550	0.9
103.05407	0.2
105.07031	1.5
107.04953	4.6
107.08608	1.5
109.06530	1.6
109.10165	0.8
111.08061	0.7
117.07015	1.0
119.08575	0.9
121.06498	0.8
121.10126	1.0
123.04498	0.3
123.08077	1.1
125.09646	0.5
129.07030	0.3
131.08554	0.9
133.10083	0.5
135.08052	0.8
135.11691	0.7
145.02849	0.3
145.06517	0.3
145.10106	1.1
149.02351	0.6
149.09575	0.5
149.13315	0.3
159.11736	0.8
163.03909	0.5
163.11156	1.2
177.12743	0.7
181.10112	0.3
187.11165	0.3
205.12216	1.6
205.15866	0.5
223.13284	100.0
223.16893	2.4
224.13651	2.0
225.04185	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	223.1328
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
52.03153	0.3
53.03939	0.7
54.21753	0.3
55.01869	1.9
55.05510	5.2
56.96566	2.1
57.03420	0.5
57.07060	1.1
59.04963	0.3
59.28052	0.2
63.06059	0.2
65.03930	0.9
67.05503	7.4
69.03425	1.3
69.07063	4.2
70.47688	0.8
71.04969	1.4
71.41126	0.3
79.00674	0.2
79.05488	6.3
81.03420	3.9
81.07054	10.7
83.04977	2.5
83.08619	2.2
85.02898	2.9
85.06543	0.6
87.04469	0.3
89.84341	0.3
91.05482	5.6
93.07037	6.4
95.04965	100.0
95.08599	6.8
96.05303	1.2
97.02890	0.8
97.06523	2.4
99.08080	0.5
105.07022	3.2
107.04948	1.3
107.08598	3.4
109.06516	3.8
109.10166	1.2
110.61578	0.2
111.04456	0.6
111.08073	1.2
113.09716	0.3
115.05498	0.3
116.54525	0.3
116.98611	0.4
117.07010	2.9
119.08583	4.1
121.06496	3.3
121.10143	3.0
123.04458	0.3
123.08075	3.8
125.06007	0.6
125.09605	0.7
128.06219	0.3
129.07007	0.7
130.07785	0.5
131.08556	1.8
133.10115	1.0
135.04439	0.4
135.08057	1.5
135.11671	3.5
135.12598	0.3
137.09680	0.3
139.07492	0.3
141.06990	0.5
141.09155	0.3
143.08556	0.6
145.06511	0.3
145.10124	5.8
147.08028	3.3
149.01260	0.4
149.02365	1.0
149.09621	0.8
149.13287	0.6
153.09103	0.3
154.07755	0.4
156.03656	0.4
157.05167	0.9
159.08070	0.4
159.11682	2.1
161.09613	1.1
163.03951	0.4
163.11179	14.8
163.14867	0.7
165.07016	0.3
165.09093	0.6
166.05714	1.1
167.05698	0.4
167.08551	0.4
169.10159	0.9
177.00743	0.5
177.05585	0.3
177.08826	0.4
177.12750	1.7
178.09441	0.4
180.09294	0.3
181.10078	0.3
181.12247	0.5
183.08580	0.8
187.11165	3.2
187.14783	0.4
192.09055	1.4
193.10228	0.3
194.49551	0.3
195.08078	0.3
195.11739	0.3
201.09631	1.3
203.59850	0.4
205.12244	2.9
205.15973	0.5
205.19499	0.4
223.07753	0.7
223.11226	1.0
223.13214	7.3
223.15132	0.5
223.16754	3.8
223.20587	0.8
225.04379	0.5
227.23228	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	223.1328
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
51.95019	1.6
53.03937	2.5
53.95723	1.5
55.01860	3.0
55.05505	8.2
57.07060	2.5
59.04978	1.7
65.03942	2.2
67.05502	6.8
69.03430	23.3
69.07057	4.0
69.76991	1.3
70.53864	5.4
79.05489	6.4
81.07056	14.1
83.04978	11.8
83.08614	2.1
85.02879	2.2
87.04470	30.6
91.05479	23.7
93.06577	1.5
93.07045	16.1
95.04971	10.1
95.08604	5.1
97.06539	2.8
98.97581	1.6
101.02390	2.8
103.05451	3.9
105.07019	9.0
107.04967	6.8
107.08606	10.0
109.06523	53.5
109.10152	7.9
111.04439	2.5
111.08075	2.7
116.98545	2.1
117.07056	3.4
119.06047	4.8
119.08582	9.8
121.06502	52.0
121.10136	10.2
122.07308	9.4
123.08070	3.3
125.06006	2.6
125.09666	3.0
131.08528	2.7
133.10123	1.7
135.04402	3.0
135.08046	6.6
135.11649	4.4
137.01776	2.2
137.09621	100.0
139.03893	2.4
139.07553	4.2
145.10100	4.1
147.07996	2.0
149.05977	9.3
149.09612	8.3
159.11681	7.7
163.03889	2.1
163.07510	5.3
163.11229	8.8
177.12808	7.9
181.12247	2.6
187.11186	3.0
191.03406	1.6
200.02116	1.8
205.12250	5.6
223.13306	16.3
223.16855	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	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03955	3.3
55.01877	3.1
55.05513	11.9
56.96578	3.6
57.03421	2.1
57.07068	2.4
59.04986	1.1
60.95837	0.6
65.03934	1.2
65.36764	0.5
67.05149	1.1
67.05508	21.9
69.03415	2.6
69.07069	10.3
69.32490	5.4
71.04972	2.1
73.02924	0.5
76.21696	0.6
79.05499	16.7
81.03423	14.7
81.07062	20.6
81.07539	1.2
83.04988	12.1
83.08622	6.8
85.02908	6.7
85.06521	2.3
87.04483	0.7
91.05476	14.8
92.57889	0.5
93.07046	17.0
94.04182	3.3
95.04971	28.3
95.08607	9.7
97.02885	1.4
97.06528	5.8
97.10152	0.7
98.97575	0.9
99.04457	1.2
99.08065	1.4
99.97036	0.5
103.05476	1.3
105.07029	8.9
106.46347	0.6
107.04961	9.0
107.08590	8.2
109.06520	3.8
109.10172	3.4
111.04418	2.9
111.08054	3.6
115.05420	1.3
117.07017	11.1
119.04929	0.8
119.08599	3.8
121.06519	3.8
121.10154	4.8
123.04454	1.1
123.08053	3.7
123.11696	1.2
125.06001	2.4
125.09559	0.9
125.15193	0.6
128.06259	0.7
129.06989	2.0
131.08572	8.3
133.10114	4.1
135.04453	0.9
135.08067	3.3
135.11694	4.4
137.06000	1.5
137.09581	1.0
139.07523	2.0
141.06979	1.7
143.08580	1.2
145.06447	1.6
145.10130	3.8
147.08018	0.8
147.11688	0.9
149.02333	3.7
149.05954	0.8
149.09605	1.7
149.13271	2.1
151.11143	1.1
153.05527	0.8
153.09131	0.7
154.07767	1.0
159.08078	0.9
159.11694	9.7
161.09628	1.0
162.05316	0.6
163.07559	0.7
163.11151	3.7
163.14854	0.9
165.09077	0.8
167.05670	1.4
167.07042	0.7
167.08601	1.0
169.10114	1.9
177.00687	0.8
177.05461	0.7
177.12750	6.8
179.08655	0.6
180.09280	0.8
181.10103	1.5
181.12170	1.1
182.07748	1.4
183.08475	0.7
187.11211	3.9
187.14749	1.0
191.03461	1.0
191.08340	1.5
193.10089	1.1
195.06491	0.7
195.08116	0.7
195.11787	1.2
195.13773	1.0
200.08844	1.4
205.12234	11.6
208.08920	0.6
208.12498	1.3
208.14526	0.7
223.06026	1.8
223.13277	100.0
223.16902	8.4
223.20584	1.7
224.13600	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	224.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53929	0.3
55.01868	0.3
56.96566	0.3
63.92496	0.3
67.05503	0.4
69.03425	0.7
69.07082	0.3
69.35683	2.1
69.36103	0.6
71.04980	0.4
71.08633	0.5
78.03456	0.6
78.19733	0.3
81.07044	0.5
84.27702	0.3
85.06546	0.3
87.04465	93.3
93.07059	0.4
94.07407	0.3
95.08598	0.3
96.04486	2.0
96.08118	0.5
98.09719	0.6
98.20797	0.6
106.02903	3.2
108.04453	0.4
108.08099	0.3
124.03934	0.8
138.05493	100.0
139.03781	0.4
139.05844	0.5
220.36214	0.3
220.38516	0.3
224.09169	39.1
224.16356	1.6
225.09515	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	224.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45627	0.3
56.49064	0.3
56.96554	0.9
67.05483	0.5
69.03419	0.9
69.07062	0.5
69.86687	0.6
69.87099	1.0
77.29840	0.2
78.03463	0.7
79.04243	0.6
79.05480	0.3
81.07062	0.8
82.07427	0.3
83.04990	0.3
87.04468	93.0
88.04807	0.3
91.05490	0.3
95.05005	0.5
95.08607	0.5
96.04492	2.6
96.96429	0.3
98.20858	0.4
100.83570	0.3
106.02924	2.7
107.04999	0.4
108.04485	0.9
119.04996	0.4
124.03918	0.6
137.05986	0.3
138.05501	100.0
139.03903	0.5
139.05815	0.8
174.28990	0.3
178.13127	0.3
224.09184	38.1
224.17216	0.6
225.09377	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	224.1281
Annotation	Anhalonidine
Peak:m/z	Relative Intensity
55.05498	0.4
56.05026	0.4
56.96559	1.0
57.03440	0.4
62.06104	0.3
64.17301	0.2
65.03939	0.3
67.05503	0.3
68.05015	0.3
68.30943	0.2
69.07053	0.4
69.85556	1.3
70.06593	1.4
71.04987	0.7
79.05488	0.5
79.31391	0.2
81.07059	0.3
83.04974	0.3
84.08149	0.5
85.02907	0.3
86.09674	0.4
91.05492	1.8
95.04969	0.4
95.06105	0.3
97.02895	0.4
97.06593	0.3
98.97602	0.4
100.07632	1.3
105.07035	0.7
106.06464	0.2
107.04969	0.5
109.06496	0.4
110.06051	0.6
112.05084	0.8
116.98627	0.3
117.05733	0.4
118.06528	1.0
119.04940	1.1
120.08101	43.8
121.08430	0.7
121.23854	0.2
123.04399	0.4
124.07579	0.4
129.10242	0.3
132.08093	5.8
133.08580	0.3
135.04453	0.3
136.06154	0.4
136.07593	0.5
137.05981	0.4
138.09175	1.2
146.09663	0.7
147.04420	0.8
148.07605	0.7
150.06715	0.3
160.07530	0.3
160.09575	0.4
161.05986	0.4
164.10709	100.0
165.05499	0.4
165.11044	1.5
174.28770	0.2
175.03911	0.8
178.08640	4.1
178.10226	0.4
192.08749	0.9
192.10229	1.7
193.62688	0.3
207.06558	1.2
208.13385	0.4
219.01808	0.3
224.09203	0.8
224.12823	29.3
224.17339	0.7
225.13171	0.3
225.16039	0.6
230.67458	0.2
239.98384	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	225.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56340	0.5
53.23412	0.6
56.96545	1.0
68.92831	0.6
69.69479	0.5
71.23956	0.6
71.24279	0.9
76.20376	0.6
82.99908	0.6
83.97608	0.6
84.96000	0.7
90.95284	0.6
97.86757	0.5
98.97580	0.6
101.00883	8.5
108.82859	0.6
116.98720	0.9
119.01923	61.2
120.01998	1.3
134.99895	4.8
137.02954	24.7
140.98882	0.8
142.03471	5.1
153.00946	4.2
158.99847	4.0
160.04549	2.4
161.02969	1.1
165.99687	0.6
175.02991	1.4
177.00954	100.0
178.01077	7.3
179.00739	1.5
179.03975	3.4
182.99899	1.4
183.06221	0.6
193.04091	1.6
195.02019	2.4
199.50085	2.6
200.02542	1.1
201.00845	3.7
217.04109	10.0
218.03986	0.7
219.02008	86.0
220.02109	11.6
221.02051	1.1
225.00824	3.5
234.00647	0.6
239.82780	0.7
242.03590	1.4
243.01965	10.1
243.10812	0.9
244.25993	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	225.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
56.05033	1.8
56.96553	3.2
57.07068	1.7
58.06564	1.0
67.05504	2.2
69.07050	2.0
69.78413	1.2
69.78815	3.6
71.04987	1.2
71.08607	0.9
79.05494	1.1
81.06582	0.8
81.07054	2.8
82.60691	0.7
83.06124	0.7
83.08638	1.6
84.04511	1.0
85.10186	0.7
95.08603	3.0
98.97585	1.2
100.19260	0.7
101.00866	6.5
102.00929	0.7
105.03389	2.4
105.07040	0.8
107.04903	1.2
109.10110	1.1
116.98624	1.8
118.03508	1.2
119.01920	75.9
120.02006	4.0
120.05624	0.7
121.01607	1.1
123.07952	0.8
130.03436	1.0
133.97896	0.8
134.99811	4.7
136.04587	1.1
137.02962	42.3
138.03065	2.4
142.03506	12.0
143.03674	0.9
153.00911	4.7
156.27634	0.8
158.06625	1.6
158.99928	3.3
159.03076	0.7
159.06198	1.2
160.03276	1.1
160.04547	8.3
161.03014	4.6
161.04689	0.9
165.05193	1.0
177.00954	100.0
178.01031	13.9
178.03812	1.6
179.00661	4.5
179.04002	11.0
182.99886	1.5
183.06187	1.9
184.04501	3.1
193.04063	1.4
195.01961	3.8
199.50055	2.4
200.02606	1.4
201.00883	2.9
201.07285	1.0
201.09775	0.9
202.05571	2.8
217.04056	9.3
218.03929	1.7
219.02002	86.2
220.02107	20.1
221.01631	3.9
225.00995	3.2
225.04170	0.9
225.07347	1.3
225.09505	2.3
225.14929	1.3
225.22014	0.9
226.01132	1.2
226.09747	2.2
237.95352	0.9
242.03696	1.9
243.01888	10.0
243.14462	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	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.00301	0.6
53.03928	0.8
55.01874	0.9
64.47253	0.5
65.03938	3.6
67.05510	0.6
69.07076	0.5
69.87738	3.2
71.04999	0.5
77.03911	1.1
79.05501	1.4
80.06300	0.6
81.07066	1.3
82.24788	0.6
83.05017	0.7
85.02911	2.9
89.03927	1.8
91.05483	46.1
93.03400	0.6
93.07039	1.3
95.04967	3.4
99.04456	1.2
103.05445	2.2
105.03393	1.6
107.04965	1.1
107.08601	0.8
108.05782	1.0
109.06480	0.7
114.27974	0.5
118.04160	4.8
119.04943	52.8
120.05367	0.6
121.02871	1.2
121.06462	0.6
123.04429	2.2
123.08121	1.0
123.11723	2.8
129.03392	1.1
132.02078	4.0
133.02873	1.9
134.03661	0.6
135.04448	1.4
136.05243	1.5
137.05971	0.7
137.09544	0.8
145.02821	0.8
146.03601	1.0
147.04414	44.9
147.11739	0.6
148.04921	0.8
149.02333	7.1
149.09564	0.7
151.03960	0.7
153.05481	1.4
155.07056	1.3
157.03961	4.5
160.01575	0.8
162.03200	0.6
163.03908	1.3
164.04707	5.7
174.03117	1.2
175.03908	75.3
176.04190	0.8
177.01865	2.1
179.07010	6.1
183.06516	2.3
192.04176	25.6
193.04845	0.5
207.06526	100.0
207.13808	1.4
208.06908	1.8
225.07285	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	225.1484
Annotation	MKN-003A
Peak:m/z	Relative Intensity
55.05507	7.9
57.03439	1.3
57.07069	4.6
59.04998	8.9
67.05145	1.6
67.05507	22.2
69.03418	3.8
69.07066	3.0
70.63989	1.2
70.94138	3.3
71.04987	2.4
79.05492	3.2
81.07056	10.4
83.04986	5.4
85.02911	27.7
85.06553	9.1
91.05473	5.3
93.07056	8.3
95.04938	3.9
95.08611	100.0
96.90639	1.1
97.06544	3.3
97.10156	2.7
98.97611	1.2
99.04443	1.6
100.28380	1.5
101.06055	2.8
105.07017	6.7
107.08586	7.7
109.06512	6.7
109.10149	3.9
113.06002	5.0
119.01961	1.4
119.08593	12.2
121.06527	2.4
121.10146	8.3
122.59962	1.2
123.08068	33.9
123.11713	20.7
125.09597	1.5
127.07570	1.1
129.05513	1.9
133.10126	2.6
135.11697	8.8
137.09633	4.0
141.09126	5.4
143.01985	1.4
147.11687	4.7
149.09627	12.2
151.07506	2.5
151.14819	4.4
159.08052	1.6
161.13251	6.0
163.11180	3.6
165.12810	5.6
169.08612	2.0
179.14314	4.0
189.12729	5.9
199.93730	1.4
207.13800	16.0
225.07368	2.1
225.14809	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.57955	10.4
55.05501	24.9
59.04984	32.5
64.63123	8.3
67.05516	24.7
69.03429	16.2
69.07059	12.4
69.65950	58.3
71.04949	8.3
73.17038	8.7
79.05482	30.4
81.07051	30.6
83.04961	10.7
83.32936	9.6
91.05470	41.5
93.07043	45.8
93.71710	8.2
95.04970	34.2
95.08624	31.4
105.07024	78.7
107.08590	94.6
109.06555	45.3
109.10153	28.6
119.08585	65.3
121.06481	22.4
121.10109	15.5
123.08060	100.0
125.90804	10.2
133.06445	14.8
133.10112	23.7
135.08067	38.0
135.11687	56.3
137.09639	88.6
141.35391	10.1
147.11664	26.5
149.09624	20.9
151.07555	20.5
153.09059	19.0
156.09364	9.1
161.13260	42.1
189.12648	18.7
207.13821	12.3
218.68095	9.1
237.07259	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	225.1484
Annotation	Methyl epijasmonate
Peak:m/z	Relative Intensity
51.02367	1.8
53.03956	9.9
55.01859	7.0
55.05251	2.8
55.05511	59.5
56.96554	5.5
57.03422	8.0
57.07059	7.7
59.05001	100.0
61.02918	2.9
62.52714	1.9
65.03931	4.2
65.07483	1.9
67.05506	91.5
68.99804	8.8
69.03419	8.8
69.06759	2.0
69.07070	31.2
71.01334	5.7
71.04990	28.9
71.08618	4.2
71.49377	3.2
73.02923	1.9
77.03910	1.7
79.05495	48.9
81.03418	23.5
81.07057	97.1
83.04553	2.5
83.04977	18.9
83.08640	11.6
85.02892	4.1
85.06544	25.3
87.04439	6.0
87.08105	2.4
91.04919	3.3
91.05478	66.3
93.06509	2.3
93.07046	33.5
95.04973	30.4
95.08607	67.2
97.02914	3.0
97.06538	36.5
97.10164	18.4
98.97574	4.4
99.04427	9.9
99.08081	5.0
101.05338	1.8
101.06015	35.6
105.03399	13.7
105.07027	45.1
107.04965	12.9
107.08582	19.4
108.05721	4.3
109.06533	26.8
109.10155	19.2
110.97546	2.1
111.04465	10.0
111.08088	15.7
113.05999	24.9
116.98587	5.6
117.06964	3.3
119.04909	4.7
119.08583	33.8
121.06493	4.5
121.10130	20.5
123.04383	6.8
123.08068	25.1
123.11674	8.7
125.05972	4.8
125.09669	4.0
127.07494	2.4
128.06253	1.7
129.05461	15.9
129.06989	6.3
131.08563	10.6
133.06470	2.4
133.10123	22.3
134.99628	3.3
135.04396	3.3
135.08028	4.3
135.11708	2.8
137.05957	8.7
137.09601	10.3
137.13304	2.6
139.03899	2.7
139.07507	2.5
141.06956	4.0
141.27322	1.7
145.10103	3.2
147.04373	7.1
147.07982	4.3
147.11682	56.5
149.02333	2.0
149.09581	5.5
151.07555	3.0
151.11154	6.6
153.06868	1.6
155.08521	4.7
155.10652	1.9
157.10109	7.7
158.99667	2.3
161.04565	2.4
161.09685	2.0
161.13240	3.1
163.11220	4.4
163.16426	1.9
165.05434	2.8
165.09068	4.1
165.12744	15.7
167.07024	8.3
167.08339	1.7
167.10664	2.3
169.10126	3.9
175.03844	3.5
175.11121	8.6
177.00674	5.6
179.10666	3.1
179.14291	11.5
180.04115	6.5
183.11641	3.9
191.14264	2.3
193.04985	3.2
193.12209	8.1
197.05998	4.5
197.13484	1.9
197.15363	39.1
207.06413	3.3
207.10091	3.6
207.13809	18.7
207.17363	2.6
211.13226	3.1
225.05522	18.4
225.09143	3.7
225.12965	3.5
225.14795	97.9
225.22084	2.0
243.12253	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	225.1599
Annotation	Prolyldiketopiperazine B
Peak:m/z	Relative Intensity
55.01877	0.6
55.05501	1.4
56.05031	1.1
56.96560	1.5
57.07056	1.0
60.04506	0.4
67.05518	1.7
68.05018	0.4
69.03432	0.9
69.07076	2.5
69.49686	2.6
70.06597	8.1
71.04986	4.2
72.08147	1.1
73.02917	0.3
79.05487	1.2
80.37058	0.3
81.03432	0.4
81.07053	2.2
82.06570	1.4
83.04993	0.6
83.08620	0.6
84.08143	5.2
85.02928	0.5
86.06053	0.5
91.05470	2.7
93.07031	0.9
94.06566	1.2
95.04950	1.5
95.08621	1.9
96.08135	5.8
97.02899	0.5
98.06062	0.6
98.09719	0.5
98.26012	0.4
98.97583	1.2
99.04446	0.8
100.07622	14.0
105.03394	0.9
105.07036	0.8
107.04932	0.9
107.08600	0.4
107.85452	0.3
108.05750	0.4
108.08118	1.1
109.02848	0.4
109.06522	0.7
110.06018	0.7
110.09670	1.0
111.04401	0.5
111.05636	0.4
112.07549	0.5
112.53893	0.3
114.09140	0.4
116.98614	1.0
119.04947	1.5
119.08566	0.7
120.08073	0.9
120.99564	0.6
122.06078	0.3
122.09673	0.7
123.04411	1.0
123.21336	0.3
124.07578	1.5
124.11176	0.9
126.09133	0.6
131.01875	0.4
134.09653	1.0
134.99654	0.8
135.04486	0.5
136.06178	1.4
136.11235	2.4
137.05931	0.7
138.05473	0.6
138.09142	5.1
138.12759	0.5
139.03896	1.2
142.08640	8.2
146.09631	0.4
147.04404	1.1
148.11191	1.7
149.08295	0.5
150.09109	1.0
152.10693	1.1
155.04565	0.6
162.09151	6.8
162.12772	2.3
164.05196	0.5
164.10722	16.0
164.14375	2.2
165.05449	0.8
165.11136	0.7
165.12604	0.5
165.13852	1.8
166.04993	0.8
166.12234	1.0
168.09187	0.4
175.03894	1.6
177.00749	0.4
178.12289	2.1
180.13864	0.6
183.13609	0.4
189.13889	0.6
190.12262	8.6
193.04900	0.6
196.13382	0.6
207.06448	1.7
207.14966	9.3
208.13348	4.9
211.52263	0.6
225.15984	100.0
226.09775	0.5
226.16344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05506	1.9
56.85354	0.6
56.96565	0.9
57.07065	1.0
65.03918	0.7
67.05500	1.5
68.05030	0.9
69.07060	1.0
70.06595	72.6
70.08271	2.0
71.04995	28.1
79.05487	1.6
80.05019	1.0
81.05845	0.6
81.07049	2.4
82.06594	6.5
83.08609	0.7
84.08147	15.8
85.02963	0.7
85.06555	0.8
85.09069	0.6
87.11410	0.6
91.05479	4.7
93.07025	1.1
95.04939	1.8
95.08623	2.0
96.08127	3.8
97.02874	1.1
98.21446	0.9
98.97573	1.0
100.07619	100.0
101.07942	0.8
105.03396	1.8
107.04944	2.1
109.06473	0.8
109.10133	1.0
110.06036	1.7
117.93087	0.6
119.04964	4.4
120.05609	0.7
120.08104	7.6
121.08450	2.0
123.04418	0.9
123.11740	0.6
124.07596	9.9
124.08422	1.1
126.09150	8.7
134.09613	1.1
135.04413	0.7
135.20044	0.7
136.07541	0.7
137.05975	1.0
138.09142	55.1
147.04387	5.0
162.12766	2.7
164.10719	2.5
165.11040	5.8
170.39447	0.6
175.03934	6.1
179.06946	0.9
180.10199	0.8
183.06546	0.6
190.12262	15.8
192.04167	1.7
207.06516	8.4
207.10423	0.7
207.14961	13.3
208.13341	41.5
225.09146	1.1
225.13162	1.9
225.15999	28.2
226.09785	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	227.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.24036	1.9
69.19636	10.7
69.20061	11.1
71.01348	3.3
72.51713	1.7
79.05495	17.6
91.05487	4.9
93.07045	5.5
95.04968	24.1
97.02900	3.2
98.20710	4.5
103.05461	5.3
105.03374	2.4
107.04959	100.0
109.02892	14.9
109.06526	3.1
115.78500	2.1
121.06499	10.6
123.04423	6.3
125.02390	6.7
125.05965	2.5
130.88953	2.0
131.04910	3.3
133.02846	4.9
135.04419	3.1
139.03888	6.0
149.05978	10.2
151.03885	17.1
153.05432	2.8
165.05473	57.5
167.07042	7.9
169.75644	2.1
177.05487	11.4
195.06534	3.2
209.08073	2.0
211.69588	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	227.0913
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
53.03930	1.8
55.01863	2.0
67.05496	3.2
69.18886	15.9
71.01352	2.7
77.03890	1.8
79.05486	14.5
81.03405	1.8
81.07060	2.0
84.78556	1.4
90.45368	1.5
91.05492	4.6
93.07040	4.9
95.04973	25.5
97.02876	3.9
98.20714	3.9
100.53021	1.7
103.05459	4.7
104.76147	1.9
105.03353	2.3
105.04516	2.1
107.04963	100.0
107.08629	1.5
109.02876	12.6
109.06518	3.5
121.06473	8.0
123.04434	5.1
125.02380	5.5
131.04961	2.6
133.02856	4.5
135.04436	2.6
136.99532	1.6
137.31358	1.7
139.03918	4.6
149.05972	6.7
151.03899	13.8
153.05466	3.7
165.05476	46.9
167.07045	6.5
177.05472	9.5
195.06537	3.8
209.08179	2.6
216.07156	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	227.0912
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
53.03942	3.3
59.87404	1.5
60.73246	1.5
66.11719	1.5
67.05492	3.0
71.01351	2.4
74.99686	1.5
75.89497	1.8
79.05510	12.2
81.03436	2.2
87.67412	1.5
91.05473	5.7
91.65153	1.6
93.07038	3.7
95.04972	24.6
97.02911	2.2
99.45277	1.5
103.05476	5.0
105.03388	2.5
107.04959	100.0
109.02900	10.8
109.06523	2.3
121.06502	7.2
123.04427	5.3
125.02328	5.3
131.04904	2.3
133.02885	3.9
139.03906	5.2
144.73929	2.1
149.06027	8.7
151.03891	15.4
153.05463	3.4
160.87413	1.5
165.05489	43.4
167.07036	7.5
177.05443	12.3
195.06474	1.9
209.08084	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	227.0913
Annotation	Genipin
Peak:m/z	Relative Intensity
51.02376	1.6
51.17091	0.9
51.36399	1.0
52.73650	1.0
53.03941	2.3
54.07478	0.9
55.01875	2.0
55.05501	1.5
56.61357	1.1
59.05016	1.4
67.05502	1.6
69.03413	1.5
69.07072	1.0
69.97357	5.2
71.01369	2.1
71.31657	1.0
72.38643	1.1
77.03905	1.3
79.05499	17.4
79.66084	1.0
81.03437	1.6
81.07053	3.8
83.04981	2.1
86.09681	1.3
91.05503	6.8
93.07036	5.0
94.63390	1.0
95.04967	25.3
95.08561	1.2
97.02903	3.9
97.06527	1.9
100.11269	1.8
103.05471	4.7
104.95153	1.0
105.03414	2.3
105.07027	1.7
107.04956	100.0
109.02885	11.7
109.06541	3.5
109.31014	0.9
121.06491	9.7
121.10170	1.1
123.04427	5.6
125.02317	5.2
125.05985	2.5
126.51389	1.1
131.04901	2.5
133.02861	4.8
135.04408	1.9
137.05998	2.3
139.03935	6.3
147.91638	1.2
149.05997	9.6
151.03906	13.8
153.05553	2.3
165.05484	49.3
167.07016	9.2
177.05464	9.3
181.04909	1.6
195.06500	4.6
208.42268	1.0
209.08002	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	227.1277
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03930	5.2
55.01864	7.1
55.05512	29.3
56.79952	2.2
57.03437	5.9
65.03941	2.7
67.05511	29.5
67.41031	2.3
69.03409	2.5
69.07067	16.3
69.25253	19.2
69.25655	5.4
71.01325	2.3
71.04974	5.8
75.70688	2.6
79.05499	46.8
81.03427	4.7
81.07061	33.7
83.04954	7.1
83.08622	15.6
88.63555	2.2
91.05498	15.0
93.07045	61.4
95.04975	23.1
95.08608	58.8
97.02901	7.8
97.06511	6.7
97.10194	6.0
98.97562	3.5
99.04449	5.8
99.96674	2.0
103.05477	4.0
105.07014	10.4
107.04963	63.7
107.07909	2.9
107.08600	39.2
109.02851	6.6
109.06527	4.0
109.10134	6.4
111.04436	3.0
111.08095	3.0
116.29179	2.5
117.07021	13.5
119.08610	11.3
121.06512	16.5
121.10136	17.7
123.04406	7.7
125.02365	2.9
125.05960	4.6
125.09614	4.7
128.06239	2.5
131.04938	4.9
133.10094	4.5
133.77513	2.4
135.08055	6.5
135.11691	67.4
139.03838	2.5
139.07503	2.6
143.08549	5.6
145.10135	38.4
149.05983	5.8
151.03877	7.1
153.05457	3.5
153.12645	3.0
157.10048	3.7
163.11182	96.9
165.05473	26.1
167.07074	17.0
177.05469	6.5
181.12248	19.5
186.25888	2.7
195.06479	2.8
199.03157	13.9
209.08046	2.4
209.11620	3.0
227.02547	9.2
227.10910	3.6
227.12764	100.0
227.17851	5.8
228.13052	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	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01876	9.5
55.05511	27.9
56.96554	3.4
57.03416	4.9
57.07052	3.9
59.04991	1.6
62.23808	1.0
65.03924	2.6
67.05507	27.5
69.03414	4.1
69.07069	16.6
69.17342	9.8
69.17751	2.4
70.88926	1.2
71.01342	1.5
71.04986	6.5
73.02899	3.8
79.05492	45.6
81.03419	5.4
81.07057	36.0
83.04992	9.8
83.08618	20.3
84.96033	1.4
85.06520	1.9
85.46529	1.0
87.04472	1.3
91.05007	1.2
91.05487	16.4
93.07044	54.6
95.04392	1.9
95.04967	29.4
95.08607	59.0
97.02887	6.8
97.06528	7.2
97.10168	10.0
98.97581	2.6
99.04465	6.2
99.08047	1.1
100.11229	2.6
103.03878	1.5
103.05470	7.4
105.03375	1.7
105.04527	1.9
105.07034	11.2
107.04955	82.3
107.08599	35.4
108.05270	2.6
109.02879	9.3
109.06540	5.6
109.10149	6.4
111.04436	4.5
111.08071	2.1
111.11695	1.4
115.05378	1.8
116.98611	2.4
117.07011	13.4
119.08578	13.3
121.06518	16.3
121.10143	14.4
123.04441	6.0
125.02346	3.8
125.05959	4.2
125.09633	6.5
128.06200	1.9
129.07027	2.7
130.07758	2.6
131.04893	3.9
131.08519	1.8
133.02834	3.3
133.10089	3.7
134.99658	1.8
135.04398	3.1
135.08022	3.7
135.11696	54.3
136.11981	1.2
137.05957	3.9
139.03862	4.5
139.07509	3.6
139.11177	2.2
142.07722	1.2
143.08537	3.8
145.10123	33.9
149.02339	1.2
149.05952	9.6
149.09637	1.1
151.03902	8.2
153.05426	3.0
153.06935	1.1
153.09099	1.7
153.12663	2.7
155.07091	1.2
155.08582	1.2
157.10135	2.4
159.04317	1.5
163.05408	2.5
163.11186	78.4
165.05490	32.0
165.06876	1.4
167.07034	30.3
168.05685	3.6
169.10040	1.3
171.08025	2.0
171.10283	1.1
171.11662	3.5
173.09639	2.3
177.00647	1.6
177.05479	14.2
181.12247	15.0
185.13205	1.5
189.11171	3.4
191.10640	1.4
195.06471	4.8
196.05130	1.2
199.03091	23.2
199.07410	2.0
209.08009	3.1
209.11646	3.0
227.02617	11.5
227.06976	3.2
227.10690	4.8
227.12729	100.0
227.17743	7.7
227.19977	2.4
228.02856	1.4
228.13162	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03928	1.3
55.01842	2.0
55.05520	8.6
57.03399	4.4
57.07045	4.0
58.18792	0.9
59.04979	5.2
67.05506	8.2
69.03394	5.0
69.07069	12.4
69.58042	3.0
69.58459	4.7
71.04994	22.5
73.06552	1.6
75.04479	1.2
79.05493	10.6
81.03389	1.3
81.07058	16.7
83.04942	3.8
83.08571	5.0
84.08080	1.1
85.06534	7.6
86.09669	3.1
91.05477	8.7
93.07051	23.5
95.04968	100.0
95.08611	14.6
97.02898	1.3
97.05952	1.7
97.06528	24.3
97.10128	3.3
98.97537	4.1
99.04456	16.3
99.07535	1.6
99.08093	24.9
100.11249	13.2
100.17088	1.1
103.05453	2.4
105.07024	11.1
107.04974	6.7
107.08604	19.1
108.08974	1.2
109.06519	20.6
109.10144	10.4
111.08102	6.1
113.09621	2.5
115.06848	1.7
115.07564	19.8
116.98566	2.4
117.07014	1.8
119.08573	5.9
121.02789	1.2
121.06454	4.4
121.10157	19.8
122.01240	1.2
123.04376	3.0
123.08015	3.5
123.11654	4.0
125.05976	1.8
125.09621	8.0
127.07565	12.7
128.02222	1.4
128.98549	1.1
131.04861	1.3
131.08513	4.7
133.09169	1.9
133.10126	33.8
135.08069	5.9
135.11696	6.2
137.02751	1.1
137.05934	2.7
137.09612	2.6
139.11163	12.1
140.04640	2.2
143.01860	1.2
143.10608	4.5
145.10068	2.5
147.11618	5.2
149.05907	3.8
149.09534	2.1
149.13255	7.4
151.03888	5.3
151.11183	5.9
153.08000	1.9
153.09108	27.1
155.07005	2.5
158.10788	1.4
159.04367	2.2
163.14725	3.7
165.05428	3.5
167.05721	1.3
167.07047	20.5
171.10191	10.1
173.13278	13.7
177.00618	2.0
177.05466	5.6
181.04924	2.1
182.11795	1.3
185.02863	1.7
191.13049	1.0
191.14301	12.0
209.07901	1.3
209.15309	14.4
227.16319	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03941	3.5
53.57196	1.3
55.01863	3.2
55.05512	14.9
57.03412	4.5
57.07066	5.2
59.05006	6.8
67.05505	15.2
69.03413	5.8
69.07070	11.3
69.27000	5.0
69.27428	7.5
71.01323	1.6
71.04628	1.5
71.04995	24.9
73.06546	2.1
75.04457	1.5
79.05492	17.8
81.03417	2.2
81.07059	19.1
82.06563	2.1
83.05001	6.8
83.08627	9.2
85.06551	11.0
86.09732	1.6
90.80760	1.3
91.05486	13.0
91.58087	2.8
93.07047	32.5
95.04969	100.0
95.08609	17.7
97.02860	2.9
97.06527	17.2
97.10152	3.8
99.04455	23.2
99.08096	22.3
100.11266	14.0
103.05459	4.1
105.06545	1.1
105.07038	11.8
107.04956	46.5
107.08586	27.7
108.05299	1.9
109.02863	6.2
109.06515	18.8
109.10158	11.1
110.06039	2.6
111.04436	1.9
111.08088	8.1
113.06003	3.2
113.09650	2.3
115.07555	5.7
119.08566	8.7
121.06487	7.8
121.10147	22.6
123.04410	5.1
123.08053	4.8
123.11729	8.4
125.02328	3.5
125.05972	1.8
125.09631	12.4
127.02853	1.5
127.07566	9.5
128.07059	1.2
129.07001	1.4
131.04918	3.4
131.08513	4.4
133.02757	1.9
133.10130	30.1
135.04355	3.6
135.08011	5.8
135.11655	5.8
137.05969	2.8
137.09570	2.8
139.11154	13.5
141.11440	2.6
143.10680	4.5
145.10060	3.2
147.11691	7.6
149.06018	6.6
149.09680	2.1
149.13237	11.0
151.03899	8.4
151.11177	6.0
153.09105	20.4
161.03001	1.5
161.13310	2.1
163.11189	6.7
163.14771	4.6
165.05490	23.0
165.12755	4.3
167.07048	12.9
167.08369	2.6
169.08582	2.7
171.10175	19.4
173.13229	12.0
177.05450	6.1
181.12213	4.8
182.15390	3.8
183.10066	1.7
183.13814	1.8
191.10712	2.0
191.14284	10.9
192.57808	1.3
195.06494	2.8
195.08049	2.0
199.18002	2.3
209.07890	1.6
209.11696	4.1
209.15308	20.4
210.14813	1.4
213.17781	5.5
227.10582	5.1
227.12730	4.4
227.16389	57.1
228.16772	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01873	4.3
55.05512	13.8
56.96558	6.6
57.03421	5.5
57.07069	5.9
58.99575	4.4
59.05006	2.5
65.03949	2.9
67.05508	14.0
69.03417	11.9
69.07076	11.7
69.99739	3.5
70.00139	5.2
71.01343	2.9
71.04991	19.7
73.02907	2.0
73.06534	2.2
79.05498	21.5
81.03419	4.3
81.07075	16.7
83.04980	6.7
83.08611	6.2
85.02888	2.6
85.06545	10.9
86.00655	32.3
86.09719	2.4
91.05481	17.4
93.07047	29.6
95.04971	100.0
95.08601	15.9
96.04507	4.2
97.02891	7.2
97.06539	15.2
97.10179	6.7
98.97595	11.6
99.04459	29.6
99.08079	13.6
100.11258	6.7
103.03989	2.1
103.05480	12.5
105.03391	2.7
105.07041	12.9
107.04960	72.8
107.08602	21.3
108.01249	1.7
108.05254	2.5
109.02897	10.7
109.06528	16.0
109.10172	12.7
111.04501	4.5
111.08077	7.7
115.07578	4.3
116.98627	8.7
117.07000	2.0
119.08582	7.8
121.06516	18.9
121.10161	20.0
123.04433	7.5
123.08068	6.1
123.11692	6.7
124.03955	52.6
125.02373	2.1
125.05981	3.3
125.09619	15.3
127.03902	1.8
127.07596	5.6
131.04938	6.2
131.08562	5.4
132.01195	10.1
133.02841	2.0
133.10143	22.1
134.99634	4.8
135.04434	3.1
135.08049	3.9
135.11687	8.3
135.12631	1.8
137.06024	4.5
139.03899	5.2
139.11188	11.7
140.03424	3.1
143.10645	4.5
145.10100	4.6
146.99648	2.4
147.11723	4.3
149.05991	17.5
149.09641	3.6
149.13272	9.1
151.03900	12.2
151.11169	3.8
153.05458	3.4
153.09105	24.5
156.08049	2.0
158.99678	5.3
159.04416	2.0
163.11191	5.4
163.14816	4.5
165.05484	32.8
167.07040	27.2
167.10611	2.4
171.10179	8.0
173.13229	11.5
177.00693	7.0
177.05475	22.1
181.04955	3.5
181.06493	3.4
181.12224	4.6
182.02731	16.9
183.13814	3.7
191.14293	8.2
195.06535	5.8
195.55229	2.0
209.08011	4.5
209.11746	6.7
209.15317	16.7
215.09456	2.2
227.07036	4.5
227.10718	3.9
227.14354	2.3
227.16324	29.5
228.03236	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	228.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01877	1.3
55.05511	40.0
56.96564	4.4
57.03438	6.0
57.07088	5.6
58.39816	1.0
59.04979	1.2
62.72098	0.9
65.03948	1.6
66.85293	1.0
67.05505	73.5
68.05833	1.4
69.07071	21.9
70.06583	1.4
70.83806	1.5
70.84136	2.1
71.04993	14.6
71.08645	2.3
71.91996	1.1
72.05325	5.5
79.05492	12.1
81.07057	55.8
82.07391	2.9
83.04976	2.4
83.08621	35.5
85.06553	5.5
88.07613	2.6
91.05485	9.6
93.07051	11.8
94.07405	1.9
95.04960	1.9
95.08607	100.0
96.08920	2.1
97.06534	6.8
97.10167	20.8
99.08101	2.1
102.09202	1.5
105.07025	6.2
107.04963	5.9
107.08592	6.8
108.05309	6.1
109.06507	2.2
109.10158	61.6
110.06808	1.1
111.08080	7.3
111.11748	1.5
113.06037	1.1
115.07530	1.5
119.08575	11.8
121.02878	2.8
121.10153	4.7
123.08064	3.1
123.11720	5.3
124.04922	1.3
125.09715	1.1
125.48082	1.1
129.09129	2.1
131.08571	2.5
133.10129	10.9
134.99625	1.9
135.11711	3.9
136.12047	1.9
137.09625	4.6
140.10831	1.1
141.09099	1.5
147.11681	9.1
149.01215	1.4
149.13274	4.3
151.11185	1.9
151.14815	5.4
152.04218	1.4
155.10603	1.4
159.08136	1.4
165.05516	2.2
165.16435	1.5
166.05841	3.4
173.11806	3.2
175.14824	36.4
193.15894	15.6
205.98788	1.4
210.18544	3.5
211.16959	5.0
211.18852	1.2
228.10002	1.9
228.14833	1.7
228.19650	4.7
228.23221	19.5
229.08649	3.0
229.12297	1.8
229.14317	4.0
229.16167	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	229.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66232	2.0
53.03945	12.0
55.01874	13.1
55.05511	37.5
56.96553	3.9
57.03165	3.0
57.03437	46.4
57.07059	6.8
59.05001	2.0
61.02928	9.2
65.03907	3.0
67.05503	18.4
68.81297	1.9
69.03429	100.0
69.07072	12.7
69.83937	5.6
69.84373	6.3
70.06609	10.1
71.01334	5.6
71.04988	33.0
72.08154	2.6
73.02911	18.1
77.66131	1.8
77.72842	1.9
79.05492	17.5
81.03415	39.7
81.07040	14.0
83.04975	28.2
84.04465	2.3
84.08113	4.7
85.02901	54.5
85.06544	36.2
86.09676	4.9
87.04457	2.9
90.10829	1.8
90.48442	2.0
91.05478	24.5
93.07047	23.8
95.04952	11.7
95.08589	8.1
97.02891	36.1
97.06541	10.7
98.21503	3.7
98.97570	2.7
99.04442	17.0
105.07034	6.9
107.04937	6.3
109.02857	13.2
109.06516	18.3
111.04433	15.9
111.08051	4.7
115.03930	3.6
115.05450	2.2
116.07121	4.1
116.98625	2.5
117.07013	6.4
119.08591	10.7
121.06516	17.1
121.07359	2.3
121.07630	1.6
123.04414	3.7
123.08082	8.8
123.32146	2.0
125.06052	2.9
127.03909	39.3
129.05470	17.5
129.06958	3.1
133.06480	6.7
135.08028	4.7
137.05983	2.7
139.07462	5.0
142.08575	3.1
145.04935	9.7
147.08040	7.7
151.03951	1.9
151.07530	7.7
163.07465	4.5
165.09053	4.2
169.05006	2.4
175.04689	2.2
175.07532	5.0
177.00768	2.5
183.14925	2.0
187.04736	2.9
192.12218	2.3
193.08609	4.9
205.05791	3.6
205.98761	4.6
211.09621	4.9
229.10652	10.9
229.15512	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	229.1071
Annotation	Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid
Peak:m/z	Relative Intensity
52.32798	0.9
53.03953	3.0
55.01870	7.9
55.05507	4.0
56.96566	5.6
57.03429	2.7
57.07080	1.7
59.05012	1.8
61.02926	0.8
63.51950	1.2
65.03936	5.0
67.05507	23.3
67.95855	0.8
69.03442	6.5
69.07057	3.4
70.06597	12.3
71.04999	2.3
71.48750	1.3
71.49139	1.3
71.82481	1.0
72.08141	1.6
73.02922	1.3
79.05498	61.5
80.05811	1.1
81.03423	3.9
81.07059	34.6
82.06635	1.1
83.04980	6.9
84.08129	1.8
85.02899	3.9
86.09695	4.0
91.04913	1.9
91.05485	38.8
93.03450	1.2
93.06491	1.7
93.07043	18.4
95.04976	16.5
95.08612	17.3
97.02888	3.0
97.06532	7.1
98.66436	1.0
98.97577	10.3
99.00870	1.0
99.04476	3.4
103.05470	3.8
105.03401	1.7
105.04510	1.3
105.07036	67.2
107.04961	11.5
107.08598	50.2
108.08941	1.0
109.02913	2.2
109.06521	56.5
109.10152	4.1
111.04468	7.2
111.08072	7.0
113.05988	2.0
115.05450	3.2
116.07040	1.5
116.98624	9.5
117.07023	4.1
119.04961	2.9
119.06062	2.0
121.06504	9.0
121.10162	1.2
123.04465	6.7
123.08076	18.4
125.05991	12.3
125.09615	5.0
127.03934	2.9
127.07568	6.8
129.06969	1.5
133.06494	36.4
134.99634	5.5
135.04379	6.0
135.08058	22.6
137.05984	11.6
137.09630	1.4
139.03914	3.3
139.07561	3.6
141.05412	1.9
141.07016	1.2
147.05539	1.2
147.08214	1.1
149.05998	4.0
151.03900	3.6
151.07549	23.7
153.05510	7.9
153.09097	2.0
155.07033	27.2
158.99687	4.4
161.06013	9.1
165.05536	2.7
165.09152	3.8
167.07031	13.3
169.04936	1.9
169.08673	4.8
173.06119	1.1
177.00691	6.9
179.07034	23.4
182.08510	1.1
183.06477	1.7
183.10208	1.1
184.07535	1.1
186.03682	1.3
193.08618	6.6
197.08099	100.0
198.08406	1.4
200.04655	1.1
201.09082	1.3
205.98811	1.7
211.09674	40.1
211.15134	1.6
229.05121	1.4
229.10757	5.2
229.12636	1.2
229.15579	4.9
229.23660	1.1
237.02922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Mansonone C
Peak:m/z	Relative Intensity
53.03937	2.5
53.61840	1.1
55.01853	2.6
55.05509	18.7
56.96556	2.4
57.03213	1.1
57.03438	15.9
57.07057	4.5
59.04992	3.0
65.03943	1.8
67.05504	62.0
69.03420	3.8
69.07066	9.7
70.06573	1.8
70.53410	1.1
71.04985	3.3
79.05492	15.9
81.03400	2.0
81.07056	19.7
83.04949	3.6
83.08638	5.8
84.08144	1.0
85.02874	1.6
85.06532	2.3
86.09744	1.2
91.05479	72.4
93.07050	14.9
95.04958	9.5
95.08612	12.1
97.06544	1.2
98.97587	1.2
103.05467	5.6
105.07031	33.3
107.04949	6.9
107.08572	8.3
109.02911	1.2
109.06519	5.1
109.10154	48.4
111.08059	2.1
115.05456	15.2
116.06222	10.3
116.98611	1.8
117.07013	47.1
118.07864	1.6
119.04915	7.8
119.08585	14.5
121.06529	8.2
121.10104	3.2
123.08065	2.3
125.06001	1.2
127.05557	1.3
128.06219	31.0
129.07008	32.4
130.07741	5.6
131.04932	5.9
131.08563	89.8
132.05649	1.8
133.06467	8.1
133.10158	9.3
135.04430	3.8
135.08051	1.9
137.09630	3.3
141.06992	42.5
142.07791	10.8
143.08560	54.6
144.05704	5.5
144.09334	6.3
145.06490	24.6
145.10124	27.3
145.11197	2.3
146.07239	1.9
147.04468	1.5
147.08025	5.5
147.11684	2.9
153.06987	10.1
154.07767	3.7
155.06010	2.3
155.08556	23.8
155.10625	2.4
156.09312	2.1
157.06534	5.0
157.10150	9.9
158.07288	3.8
158.10999	2.8
159.04430	1.7
159.08052	41.2
159.11670	10.1
159.64963	1.4
161.06017	3.9
161.09586	6.2
161.13368	1.3
163.03796	1.4
165.06924	2.1
165.12753	1.8
167.08594	4.9
168.09366	12.6
169.06483	4.8
169.10110	4.7
171.08026	5.8
171.11705	3.7
172.08823	3.4
173.06001	6.4
173.09665	10.0
173.11734	16.1
173.13283	30.4
175.07535	2.0
181.06422	1.3
181.10133	2.1
183.08066	5.4
183.11705	24.3
185.09642	5.0
185.13307	4.4
186.10448	2.0
187.07518	17.4
187.11179	1.9
187.14803	2.4
193.10114	2.0
200.04646	1.7
200.08272	2.4
201.09084	4.2
201.12740	80.1
205.08527	4.2
205.98802	2.6
211.07607	3.6
211.11134	15.7
211.14836	3.7
229.08936	10.1
229.12259	100.0
229.14281	11.3
229.16212	9.3
229.19438	9.5
229.23318	2.0
230.12682	1.7
241.95924	1.3
247.13289	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	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.01871	0.6
55.05512	8.7
57.02377	0.5
57.03439	19.6
57.07075	2.0
57.92983	0.5
59.05008	4.4
60.35377	0.5
65.03935	1.1
67.05505	100.0
68.05846	1.1
69.06733	0.5
69.07069	2.2
70.07792	2.2
70.29117	0.4
71.05000	4.0
75.83894	0.4
79.05495	2.1
81.07056	13.9
83.08622	7.1
85.06549	2.6
89.15070	0.5
91.05480	6.3
93.07046	3.5
95.04946	0.6
95.08604	6.2
99.08105	0.6
105.07037	1.1
107.08601	2.3
109.10158	84.6
110.10501	1.6
111.08072	3.7
113.05967	0.5
119.08586	7.1
121.10183	0.5
127.11137	0.5
129.07037	0.5
131.08601	0.9
133.10083	0.8
137.09625	4.2
143.08441	0.6
145.10123	1.1
147.11697	0.5
155.10689	3.2
159.11722	1.6
173.11743	27.3
173.13148	1.1
174.12119	0.7
186.13947	1.0
187.14754	0.6
214.17047	0.5
229.14290	24.2
229.19313	3.7
229.23453	1.1
229.27243	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	229.1435
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
53.03495	0.9
53.03949	1.7
55.05518	11.7
56.96554	6.4
57.03440	17.8
57.07079	2.8
58.19427	1.2
59.05009	5.6
59.14615	1.1
60.62226	1.0
65.03938	1.3
67.05507	100.0
67.48002	1.1
69.03442	1.7
69.07066	5.4
70.06590	4.0
70.75281	3.9
71.04994	4.7
79.05471	6.7
81.03458	1.8
81.07061	26.8
82.07404	1.5
83.04978	3.4
83.08617	8.9
85.02904	2.3
85.06541	3.7
86.09692	1.2
87.04493	1.6
91.05487	10.2
93.07041	10.9
95.04974	2.4
95.08620	11.7
98.97581	20.7
105.07056	6.9
107.08599	11.3
109.06538	1.5
109.10162	76.3
110.10448	1.5
111.08074	4.4
115.05433	1.4
116.98624	14.4
117.07027	2.6
119.04922	1.4
119.08577	10.8
121.10149	3.3
123.04491	1.4
123.11697	2.0
125.09663	1.3
127.14258	1.1
128.06306	1.4
129.07043	1.6
131.08562	2.3
133.10136	4.2
134.99670	8.3
135.11728	3.1
137.09627	4.1
141.06911	1.5
145.06496	2.4
145.10130	3.9
146.99637	1.6
147.11690	3.2
153.06981	2.2
155.08554	3.1
155.10710	3.7
157.10168	2.1
158.99672	6.7
159.07983	1.9
159.11746	2.5
165.06987	1.7
169.08832	1.6
169.10120	1.6
169.12285	1.2
171.11736	1.4
173.05986	1.7
173.09552	3.0
173.11751	23.2
173.13211	2.8
177.00706	15.1
183.11723	1.3
187.07579	2.5
187.11133	1.6
193.12135	1.7
201.09070	1.7
201.12717	1.7
211.07542	3.2
211.13174	1.7
211.15021	1.8
211.16924	2.1
220.10406	4.4
229.08913	7.2
229.12247	7.2
229.14098	22.0
229.19533	3.8
229.23500	1.5
247.08463	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	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.8
57.03438	17.7
57.03721	0.9
57.07080	1.8
59.05006	5.3
65.03945	1.1
67.05506	100.0
68.05814	0.9
69.07077	2.7
71.04990	3.7
79.05492	2.2
81.07058	14.1
83.08617	7.6
85.06557	2.4
91.05473	5.9
93.07033	3.8
95.04938	1.1
95.08604	4.9
99.01976	0.4
99.08053	0.5
105.07024	1.4
107.08586	3.0
109.10156	86.9
110.10457	1.1
111.08100	3.0
113.05955	0.5
117.06970	0.5
119.08587	6.2
121.10132	1.0
127.11198	0.6
129.94086	0.4
131.08566	1.2
133.10075	0.7
137.09625	4.4
147.11697	0.9
155.10652	4.0
159.11688	1.5
171.11786	0.5
173.11748	26.7
173.13162	1.4
174.12070	0.6
186.13948	0.5
187.14767	0.7
208.59036	0.5
229.08458	0.6
229.14305	24.0
229.19423	4.8
229.23537	1.9
229.26997	0.9
229.50223	0.6
230.14745	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	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05515	8.7
57.03437	20.2
57.07077	1.4
59.04720	0.8
59.05005	6.5
64.39245	0.5
65.03938	1.7
67.05505	100.0
68.05840	1.3
68.41358	0.6
69.07056	2.0
70.06587	0.5
70.75704	1.7
71.05004	3.0
79.05490	1.7
81.06604	1.0
81.07059	13.7
83.08619	6.6
85.06551	3.4
91.05473	5.4
93.07038	3.4
95.08604	5.8
99.08092	0.7
99.26716	0.5
107.08582	2.2
109.10158	89.1
110.10488	1.0
111.08095	4.0
119.08584	6.8
134.38065	0.6
137.09627	4.2
137.60751	0.5
143.37589	0.5
155.10733	3.6
173.11748	25.9
222.14825	0.6
229.14316	22.3
229.19429	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	229.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05515	0.5
56.05021	0.7
56.96566	7.2
57.03437	3.3
58.06598	5.6
59.04975	0.6
59.07389	1.4
60.07895	0.7
60.08165	8.2
61.02929	4.2
68.05021	0.9
69.03436	3.5
69.77375	0.4
70.06594	36.4
70.24806	1.5
71.04978	0.7
72.08152	5.2
73.02919	5.2
77.00883	0.7
79.05475	0.5
81.03403	1.9
81.04534	0.8
81.07023	0.4
83.01308	0.5
83.04985	0.5
83.06088	0.6
84.04510	3.6
84.08150	1.5
84.96003	0.6
85.02899	6.4
85.06516	0.5
86.09687	1.5
87.04463	0.9
88.99153	0.7
91.03959	1.0
95.03416	0.5
95.06081	1.7
96.08120	2.0
97.02886	7.2
98.01293	0.6
98.03252	0.5
98.06083	0.9
98.97592	6.3
99.04455	0.8
100.07626	0.7
101.00877	3.7
102.02393	0.5
103.02441	1.2
105.02124	0.5
109.02872	0.7
110.01284	1.5
110.97589	1.1
111.02946	1.0
112.54801	0.4
113.83255	0.4
114.05534	4.4
114.09150	1.9
116.07076	1.7
116.98611	4.6
118.01022	0.9
118.08659	1.3
119.01912	22.9
120.02031	0.8
121.01682	0.8
121.03486	1.8
124.07625	2.7
124.08367	0.5
126.09169	0.5
127.03947	1.6
127.04981	0.7
128.02322	2.4
128.98592	2.1
131.00282	0.6
131.01889	7.5
132.00786	0.7
133.01624	1.5
133.03448	5.2
134.99637	2.8
135.03041	0.7
137.01828	0.7
137.02925	7.4
139.03284	0.5
139.04225	1.6
139.54399	0.4
140.02348	0.4
141.01239	0.9
142.03525	0.5
142.08643	34.0
143.01930	0.8
143.08932	0.6
144.99820	2.1
145.01717	0.7
145.03439	1.3
146.99641	3.0
147.01353	0.9
147.03085	0.6
147.05054	0.6
148.02100	1.0
148.03725	4.8
148.04904	4.1
148.54929	1.0
149.01199	1.1
149.02962	2.3
149.36536	0.5
151.02751	1.1
151.04559	3.2
156.53783	0.6
157.03371	3.8
157.04469	2.0
157.54678	0.6
158.99611	1.5
160.02061	0.7
160.04593	1.0
161.01241	1.1
161.02931	1.7
165.00749	1.2
168.01825	1.4
168.99821	1.9
169.02446	0.7
170.08116	2.0
172.99364	0.5
173.01170	0.6
173.02936	1.2
174.01793	0.7
174.99097	0.6
175.02782	0.9
175.04530	4.0
177.00705	2.2
177.02251	1.1
177.04295	0.5
179.07028	0.7
182.03432	0.8
183.07603	0.8
183.11319	2.8
183.14948	3.2
184.03136	0.7
184.04689	1.4
185.02788	0.6
187.00887	4.8
187.02562	0.9
187.04555	1.8
189.00768	1.3
190.98558	0.6
192.02644	0.5
193.00215	0.8
196.99207	0.5
199.78194	0.5
200.04437	0.6
201.02425	0.5
203.03987	0.7
205.01965	1.1
205.03819	0.8
205.05540	0.7
207.01721	1.1
215.00401	3.4
217.05635	0.5
219.01663	1.1
220.04074	0.6
220.06020	0.8
221.05093	1.1
223.01277	0.7
229.03235	9.3
229.06639	1.2
229.11807	3.3
229.15479	100.0
230.11540	0.6
230.15805	2.4
237.02846	1.0
239.06064	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	229.1548
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01880	0.3
56.05053	0.2
56.96560	0.7
57.03434	0.2
58.06600	4.5
59.07384	1.1
60.08165	5.9
67.01111	0.2
68.05036	0.5
69.03428	0.2
70.06592	27.6
71.06904	0.2
71.24391	0.3
72.08138	0.8
84.04508	0.5
85.02874	0.2
85.50639	0.2
93.04046	0.2
96.08125	1.0
97.02905	0.2
98.06040	0.6
98.97581	0.8
114.05530	3.2
114.09184	1.4
116.07123	0.8
116.98650	0.9
116.99349	0.1
118.08674	0.3
119.01955	0.2
124.07591	2.8
126.09155	0.6
134.99701	0.4
136.11157	0.1
137.02898	0.1
142.08633	27.2
143.08960	0.4
170.08138	1.6
177.02396	0.2
177.79398	0.2
183.11354	0.2
203.61691	0.2
224.08040	0.3
229.15471	100.0
230.15791	2.4
248.08116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0812
Annotation	Melicarpinone
Peak:m/z	Relative Intensity
55.01875	1.1
56.96562	1.1
57.03430	0.5
69.03418	0.8
69.07049	0.5
70.06577	1.4
71.07024	0.9
72.08147	0.6
73.31497	0.4
74.06071	0.3
75.09055	0.3
79.05492	0.5
84.08140	0.6
85.02898	2.0
86.06055	0.3
86.09708	0.8
91.05482	5.3
97.02883	0.5
98.97582	0.7
99.43495	0.3
103.05459	0.6
105.07011	1.3
109.06540	0.5
115.05449	9.0
116.04987	0.6
116.98602	0.8
117.05757	10.0
117.07027	1.2
118.06547	6.0
128.04893	0.4
128.06239	1.4
129.06990	5.8
129.10291	0.5
130.06523	18.1
131.07344	2.9
132.08090	18.5
134.99673	0.6
139.05472	0.4
140.04926	0.5
141.06993	0.9
142.06519	6.3
143.07297	29.1
144.08170	2.5
146.05988	1.1
146.99626	0.4
147.04411	0.5
154.06505	3.2
155.06093	0.6
155.07239	2.2
156.08084	63.5
157.08853	3.3
158.06001	1.4
158.09654	9.6
159.06795	3.4
160.07576	34.0
161.07928	0.6
166.06564	1.1
167.07306	7.6
168.08087	18.6
169.08492	0.6
170.06012	13.5
171.06770	5.0
172.07552	1.0
174.09254	0.6
182.06053	0.8
183.05188	0.5
183.06792	7.8
184.07573	20.7
185.08345	7.5
186.05501	1.0
186.09123	7.2
188.07062	67.2
189.07358	1.2
194.05981	0.6
200.07097	0.8
201.07832	1.5
202.08624	16.3
211.47728	0.4
212.07108	4.7
212.09041	0.8
230.08118	100.0
231.08464	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	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03936	0.5
53.65015	0.2
55.05513	11.5
56.05009	0.4
57.05810	1.1
64.75809	0.2
69.58237	1.5
72.08157	100.0
73.08500	0.4
73.72005	0.2
84.08153	0.2
86.09705	5.2
98.21444	0.3
98.97577	0.3
104.73503	0.2
117.17654	0.2
125.09621	0.2
132.10197	3.5
182.15495	0.7
185.16534	1.1
200.16443	1.6
214.18053	0.3
231.02885	0.4
231.17050	2.4
231.20709	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	232.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09002	8.7
56.96558	33.1
60.67605	8.1
63.50175	7.9
67.05501	9.8
69.07053	7.3
70.15561	22.3
72.09667	7.2
72.93782	29.9
79.05488	9.6
81.07051	21.2
82.73509	8.0
90.94803	34.4
91.05490	11.6
93.07050	13.8
95.08573	9.6
98.21524	9.8
98.97578	12.5
108.95860	20.3
113.96385	21.4
119.08585	14.4
121.10149	16.4
131.97382	43.3
132.95853	31.6
133.37576	7.9
134.99693	17.9
135.11681	10.8
148.97780	11.7
149.96104	47.9
149.98488	46.0
150.96867	100.0
166.98773	12.8
167.97139	85.8
168.98006	10.0
172.97665	10.6
173.98495	9.2
177.09174	8.5
190.98788	90.5
191.03491	8.4
191.97163	27.3
208.99757	48.0
209.98199	21.3
218.01137	8.0
233.11679	11.8
233.15381	41.2
233.19032	22.5
234.41090	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	233.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05511	0.6
55.34908	0.6
56.96566	29.9
57.03433	1.0
61.02921	2.3
67.05497	0.7
68.14384	0.6
69.03451	1.5
72.08155	4.4
72.97285	0.7
73.02913	2.7
74.06076	1.0
74.97616	0.9
78.95659	1.9
84.08135	0.8
84.96024	2.2
85.02908	2.1
86.09706	5.0
94.93018	6.9
97.02895	1.4
98.97585	5.5
100.99142	6.2
101.00875	3.5
102.97063	0.8
103.02445	0.9
107.04914	0.8
110.97576	2.7
116.98626	4.0
119.00196	4.7
119.01920	11.9
121.01678	1.5
123.90570	0.7
127.03930	0.8
128.02312	1.3
128.98625	5.1
131.01913	1.8
133.03491	2.8
134.99664	1.8
137.02922	2.8
143.00192	0.8
143.01907	9.1
144.98062	3.3
145.03516	1.5
146.99654	8.0
147.03192	1.1
151.04527	1.9
155.00328	0.9
155.01891	1.0
157.03511	0.8
161.01588	1.1
161.02959	20.3
162.99130	8.6
165.00708	9.8
172.97618	1.8
173.01271	0.8
173.02960	3.3
175.04610	1.3
176.00780	0.7
177.00703	1.6
181.00217	1.4
183.01747	3.6
189.00829	1.1
190.91199	2.3
190.98628	9.6
191.02252	1.8
191.04016	3.1
207.01753	0.8
208.99702	22.4
209.55151	1.3
213.03337	1.0
227.00764	4.3
232.92224	0.9
233.06352	100.0
251.06161	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	233.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
55.32765	0.5
56.63915	0.7
56.96565	40.0
57.03435	0.9
59.04647	0.6
61.02908	2.5
67.05484	0.9
69.03424	1.4
70.69517	1.3
70.69906	1.3
72.08150	4.9
73.02912	2.5
74.06081	1.4
74.97604	1.3
78.95632	2.4
82.99845	1.0
84.08141	0.9
84.96040	2.1
85.02898	2.8
86.09707	5.5
87.04492	0.7
88.03999	0.9
94.37790	0.6
94.93020	7.0
95.00765	0.6
97.02913	2.0
98.97596	5.2
99.04449	0.6
100.99158	7.9
101.00879	3.8
101.56458	0.6
103.02451	0.7
110.97554	3.6
115.03862	0.7
116.98611	4.8
119.00167	6.4
119.01900	13.9
120.01984	0.9
121.01679	2.0
126.97007	0.9
127.03917	1.2
127.46169	0.7
128.02315	1.5
128.98613	7.5
131.01889	2.4
133.03502	4.4
134.99634	2.3
137.01187	0.9
137.02898	3.1
143.00240	1.1
143.01894	9.0
143.02988	1.1
144.98077	3.7
145.03499	1.2
145.99753	0.7
146.99648	11.3
149.01161	0.9
149.02917	0.8
151.04521	1.5
155.00215	1.2
155.01855	0.9
158.99637	1.4
159.03290	0.8
159.53185	0.8
161.02968	20.5
161.04451	1.2
161.55754	0.7
162.99155	8.6
165.00729	8.6
172.97626	1.4
173.03018	3.2
173.04387	0.6
176.00771	0.8
177.00684	1.8
181.00233	1.2
183.01703	4.0
184.04677	0.8
185.02960	1.1
187.02788	1.2
187.04527	1.5
189.00804	1.2
190.91144	3.2
190.98619	10.1
191.02277	1.8
191.04028	2.5
192.02866	0.9
197.12611	0.6
205.03851	0.9
208.99687	21.9
213.03421	1.4
216.12259	0.7
219.01738	1.0
227.00775	4.3
232.01413	0.9
232.92255	1.6
233.06357	100.0
234.06694	1.5
237.02773	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	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.05035	17.3
56.96562	1.0
57.03440	2.5
58.06593	3.5
66.91162	0.4
67.55410	0.4
69.85349	0.7
69.85761	1.3
71.27825	0.3
72.08170	0.6
74.06078	100.0
75.04456	0.8
75.06409	0.4
79.05545	0.4
83.29033	0.4
84.04507	2.8
86.09704	20.5
90.65807	0.3
91.05498	0.5
98.20870	0.7
98.97566	0.7
101.07149	1.9
107.80107	0.4
116.98664	0.5
128.98608	0.6
132.10201	18.0
142.12314	0.8
143.11763	0.8
149.96129	0.4
150.96913	0.4
160.07607	0.5
169.13412	2.0
170.99684	0.4
171.11310	0.4
187.14404	10.1
190.98721	0.5
201.00822	0.4
207.06631	0.6
208.99696	0.7
215.13936	3.5
233.14983	8.7
235.25644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
54.17928	0.4
55.01871	1.2
55.05513	1.7
55.93513	0.5
56.05037	17.2
56.96566	33.1
57.03436	4.3
57.07064	0.5
58.06594	3.9
58.96162	0.4
61.02932	4.8
66.82489	0.4
67.05510	1.2
69.03426	2.6
69.06723	0.4
69.07057	2.3
69.76691	2.1
70.06585	0.5
71.04997	1.1
71.93034	0.4
71.95264	0.7
72.08165	3.6
73.02930	3.1
73.03635	0.5
74.06080	100.0
74.97612	1.4
75.04479	0.9
79.05498	0.6
81.03387	0.5
81.07033	0.6
83.04964	0.8
83.97617	0.4
84.04498	2.8
84.08139	2.3
84.96040	1.9
85.02897	5.8
86.06059	0.6
86.09707	35.1
87.04486	0.7
88.07624	0.5
88.99174	0.7
90.01530	0.6
91.05495	0.9
93.07056	0.6
95.08607	0.5
96.08101	0.4
97.02905	2.5
98.01255	0.6
98.21429	0.7
98.97579	4.9
98.98539	0.5
99.04510	0.9
100.99163	3.0
101.00878	0.9
101.07144	2.1
103.02402	0.5
107.01870	0.4
107.04961	0.7
110.01229	0.5
110.97566	2.2
113.02411	0.6
115.02419	0.7
116.98617	4.1
117.03945	0.8
117.07029	0.5
118.08656	0.4
119.00192	4.5
119.01888	7.1
121.01662	1.5
121.10096	0.6
126.12793	0.6
127.03893	2.0
128.02324	3.7
128.98599	5.2
130.08620	0.7
131.01895	1.5
132.10205	19.4
132.11209	1.0
133.03465	2.4
134.99609	2.5
135.03072	0.4
137.01248	0.9
137.02898	4.3
138.24019	0.4
141.13899	0.5
142.12311	0.5
143.00153	0.7
143.01854	2.2
143.11797	0.6
144.98100	3.0
145.03468	1.4
146.99640	7.1
147.03241	0.6
151.04491	1.1
152.98894	0.7
156.03641	0.5
158.99670	1.3
161.01247	0.8
161.02960	6.2
161.04456	0.6
162.01830	1.2
162.99162	5.6
163.02602	0.5
165.00702	6.3
169.02574	0.6
169.13341	2.1
172.97704	1.1
173.01311	0.6
173.02977	1.6
174.01866	0.6
174.99127	0.6
175.04550	0.6
177.00740	1.4
177.02164	1.1
177.05826	0.4
181.00220	0.9
183.01793	2.7
184.04883	0.4
184.08124	0.7
185.01294	0.5
185.02991	0.5
187.01106	0.5
187.02757	2.2
187.04395	0.9
187.14424	10.4
187.16006	0.7
188.97066	0.7
189.00757	1.2
190.98624	6.4
191.02222	1.7
191.04034	2.0
192.02759	0.9
193.00148	0.6
198.07558	0.5
202.98727	0.7
203.03990	0.5
205.00101	0.6
205.01994	0.5
205.03899	1.3
206.03297	0.5
207.01993	0.6
208.99698	14.5
209.55161	0.5
210.00160	0.5
213.03447	2.4
215.13898	4.2
216.12354	0.7
219.01796	0.9
227.00761	2.4
232.99681	0.6
233.06351	16.6
233.12526	0.6
233.14955	9.1
233.18781	0.8
237.02878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03951	1.7
55.01872	2.1
55.05511	4.9
56.96567	2.2
57.03442	1.0
57.07063	3.2
59.04986	0.9
60.63474	0.5
63.02354	0.6
64.84364	0.5
65.03938	1.5
67.05507	7.7
69.03427	12.7
69.07069	9.0
70.76299	0.5
71.04987	2.6
71.49197	0.7
72.08154	0.6
74.06086	0.6
77.03913	0.6
79.05029	1.2
79.05491	21.4
81.03410	1.3
81.07056	13.7
83.04986	1.8
83.08634	3.3
85.06538	2.2
86.09705	1.1
91.05479	25.8
91.47538	0.6
93.07042	14.5
95.04966	27.6
95.08612	6.7
97.06528	21.8
97.10131	0.8
103.05464	1.9
104.06322	0.7
105.04510	0.7
105.07025	18.9
107.04951	12.1
107.08582	15.2
109.02866	2.0
109.06509	8.3
109.10155	5.8
111.04439	1.6
111.08072	1.8
115.05449	2.2
116.06253	1.0
117.07015	8.3
119.04964	3.8
119.08575	100.0
120.08947	1.1
121.06509	6.1
121.10137	11.5
123.08087	3.7
123.11668	3.4
125.09573	1.4
128.06226	2.5
129.06989	3.9
130.07759	1.9
131.04941	1.2
131.07613	1.2
131.08560	16.3
133.06491	7.5
133.10132	10.4
134.10905	3.2
135.04420	1.0
135.08060	3.4
135.11667	2.4
137.05969	17.3
137.09610	1.9
141.06989	2.2
142.07799	2.9
143.08539	4.1
144.05728	0.7
144.09332	1.2
145.06508	4.2
145.10129	17.2
147.04420	1.8
147.08049	2.9
147.11703	4.7
149.05989	1.8
149.09619	10.2
149.13251	1.2
150.96912	0.6
151.07512	0.8
151.11174	1.5
155.08557	3.9
156.09337	4.5
157.06482	0.7
157.10136	6.6
158.07274	1.5
158.10904	2.7
159.08049	5.2
159.11684	7.9
160.08836	1.0
161.02336	0.6
161.05995	1.7
161.09634	1.1
161.13278	1.8
163.07579	1.2
163.11195	1.3
163.14882	1.2
167.08560	3.7
169.06386	0.8
169.10089	4.0
171.11699	5.8
172.08949	0.7
172.12404	1.4
173.05989	1.4
173.09621	6.2
173.13274	10.8
174.10382	0.9
175.11185	4.0
175.14812	0.7
177.05495	1.2
177.09140	3.6
179.03378	0.7
182.10913	6.5
185.09679	1.1
186.10381	0.7
187.07829	0.6
187.11172	2.0
187.14824	8.9
189.05385	0.6
189.09137	2.8
189.12708	7.2
191.03351	9.0
191.14297	11.2
197.13216	9.1
200.11992	0.8
201.09117	1.2
205.08667	1.5
205.15805	0.9
215.07054	1.5
215.10655	2.3
215.14302	15.3
215.17906	1.8
233.07941	5.5
233.11801	9.4
233.15353	46.5
233.18724	3.1
233.22781	1.3
234.15750	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	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03933	1.7
55.05510	3.3
56.96549	2.8
57.07067	2.2
58.19303	0.6
67.05511	4.9
69.03432	5.2
69.07049	2.3
70.26113	2.6
71.04981	1.7
77.03945	0.9
79.05495	51.0
80.06284	0.7
81.07064	5.3
83.04986	2.0
83.08614	5.6
85.02862	0.8
85.06547	4.3
91.05479	7.5
93.07043	7.1
95.04963	4.6
95.08596	3.6
97.06525	1.8
105.04504	1.0
105.07029	11.6
107.04957	52.0
107.08592	11.9
109.06538	2.0
109.10160	1.2
111.04428	1.5
111.08076	4.8
113.06017	1.2
117.06255	0.7
117.06979	3.4
119.08575	14.0
121.06483	2.2
121.10133	7.9
123.08066	2.1
123.11726	0.8
125.09635	1.9
129.07018	1.7
131.08572	11.3
133.06544	1.6
133.10110	8.8
135.08041	2.8
135.11719	1.0
137.09604	4.3
142.07794	2.1
143.08582	2.6
144.09346	1.1
145.06436	1.1
145.10121	12.1
146.10884	1.3
147.08038	11.4
147.11691	13.8
149.09598	8.9
149.13275	3.3
153.09113	1.3
155.08481	0.8
156.09355	1.0
157.10109	5.6
158.10884	2.2
159.08063	1.2
159.11708	2.4
160.08849	2.0
161.05991	0.8
161.09599	1.4
161.13280	0.9
163.11185	3.6
167.02260	1.0
171.11705	1.5
173.09686	1.6
173.13271	10.0
175.11192	16.3
182.10893	1.7
187.14844	4.0
189.12767	4.7
191.03404	0.8
191.14302	58.4
192.14693	1.0
197.13246	2.2
215.14304	5.8
233.15367	100.0
234.15665	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	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.02378	0.7
53.03940	2.7
54.38107	0.5
55.01862	1.8
55.05513	5.4
56.96566	2.6
57.03416	1.0
57.07051	0.8
59.04985	2.0
65.03938	1.1
67.05508	7.3
69.03431	4.3
69.07067	4.7
69.98164	2.1
71.05002	1.3
71.08640	0.5
75.44386	0.6
77.03899	0.8
79.05498	56.3
79.76527	0.5
81.03441	0.7
81.07059	7.7
83.04990	2.6
83.08617	5.4
85.02887	0.5
85.06535	0.8
89.00780	0.6
91.05482	15.8
93.03413	3.0
93.07058	9.4
95.04970	12.2
95.08604	4.8
97.06518	2.0
97.10130	0.6
98.20842	0.6
99.08097	0.8
103.05488	1.0
105.04523	0.7
105.07038	12.9
107.04961	68.0
107.08595	8.4
109.06510	2.4
109.10151	1.3
111.04426	1.1
111.08076	5.1
115.05511	0.8
117.07016	4.9
119.04936	1.1
119.08584	9.3
121.06525	3.0
121.10142	7.2
123.08062	1.8
125.09633	2.5
129.07030	2.6
131.08577	8.3
133.06505	5.8
133.10115	5.8
135.08061	3.1
135.11693	0.9
137.09653	0.8
139.04185	0.5
139.11154	0.7
141.07008	0.8
142.07828	0.7
143.08601	1.6
145.06441	1.4
145.10144	4.8
147.08031	2.8
147.11682	8.1
149.09618	7.9
149.13269	3.1
150.10426	0.7
155.08554	1.2
156.09317	0.6
157.10170	3.1
158.10901	0.8
159.08049	1.9
159.11708	2.2
160.08871	1.2
161.05994	0.8
163.11179	0.8
171.11687	1.6
171.43008	0.7
173.09618	1.0
173.13264	7.2
175.11212	8.9
177.05362	0.6
177.09103	1.0
182.10896	0.8
183.14531	0.5
187.11261	0.8
187.14833	2.5
191.03455	0.9
191.14314	59.1
192.14684	1.1
197.13274	2.4
205.15912	1.1
208.41440	0.5
212.60553	0.7
215.14340	3.9
215.17920	0.7
233.11630	3.8
233.15369	100.0
234.15686	1.5
241.38943	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	233.1899
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03938	3.7
55.01859	2.7
55.05514	13.9
56.96552	8.3
57.03426	4.1
57.07059	8.6
64.31349	2.1
67.05505	17.8
69.03430	3.4
69.07069	24.3
70.09474	2.6
71.04977	3.2
71.08615	5.1
71.49654	3.0
79.05486	22.5
81.06615	3.4
81.07056	51.9
83.04980	2.6
83.08597	9.2
83.47589	2.2
85.06544	3.9
87.25454	2.1
91.05484	31.7
93.07040	36.2
95.04958	9.9
95.08599	33.9
97.06508	9.9
97.10125	3.2
99.08106	3.0
105.07030	84.4
107.04936	7.4
107.08595	33.7
109.06490	6.0
109.10152	19.5
111.08065	8.4
115.05453	4.7
117.07018	19.2
119.08580	78.1
121.06477	8.3
121.10133	30.7
123.08004	5.5
123.11691	14.5
125.09589	3.5
128.06206	3.0
129.06985	8.5
130.07767	4.6
131.08563	66.4
133.10135	32.0
135.08038	5.0
135.11716	14.5
137.06052	2.6
137.09575	2.9
143.08527	5.6
144.09334	9.3
145.10124	60.9
147.07986	2.3
147.11696	54.2
149.01231	4.7
149.09608	7.7
149.13258	12.2
155.08514	2.7
157.10112	6.5
159.11690	100.0
161.13235	21.5
163.11209	8.5
171.11668	2.9
172.12567	5.4
173.09639	4.3
173.13242	36.0
175.14812	21.3
177.09102	3.1
177.12726	10.2
187.11256	2.3
187.14865	10.8
189.16365	8.2
191.03426	3.1
191.14316	9.2
191.17984	3.3
203.17950	9.2
205.15868	4.6
205.19576	4.7
215.14575	3.4
215.17953	60.6
221.11267	4.4
233.08075	5.2
233.11574	6.1
233.15408	31.3
233.18993	79.9
234.19672	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	233.1899
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03932	1.5
55.05497	4.4
56.96549	3.3
57.07053	2.4
64.03629	1.0
67.05502	8.6
69.07051	4.8
69.45163	5.5
69.45582	2.8
71.04970	1.3
79.05490	10.7
81.07052	14.6
83.08598	2.2
84.47610	0.9
91.05476	8.2
93.07039	14.5
95.04958	3.4
95.08604	19.3
96.68540	1.3
97.06530	1.2
97.10125	1.1
105.07028	23.3
107.04910	2.5
107.08595	21.5
109.06499	1.5
109.10149	10.7
116.98546	1.3
117.07015	10.0
119.08575	18.1
121.06485	2.0
121.10137	15.0
123.11700	3.2
129.06949	2.6
130.07776	2.4
131.08554	23.2
133.10121	11.5
135.07957	1.7
135.11668	5.6
137.09570	1.1
143.08517	1.8
144.09346	3.5
145.06488	1.8
145.10121	34.3
147.11696	8.0
149.09572	1.8
149.13286	5.9
157.10074	2.3
158.10899	1.8
159.08067	1.6
159.11688	57.4
160.12309	2.1
161.13225	3.0
163.14803	3.1
171.11668	3.6
173.13275	22.5
174.13786	1.2
175.14806	2.3
177.05461	4.2
177.12634	1.6
178.06230	4.3
185.13220	1.2
186.14078	2.5
187.14743	7.9
189.16362	1.6
191.03308	1.5
191.07025	1.6
191.14268	1.4
197.13284	1.8
203.17960	2.9
215.14345	3.8
215.17943	100.0
216.18268	3.5
233.11610	6.4
233.15422	16.3
233.18987	52.9
234.19284	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	234.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
56.96573	1.4
57.03437	1.9
67.05499	0.2
69.03429	0.5
70.65351	0.5
70.65717	0.5
79.05506	1.4
81.03426	0.2
81.07057	4.3
84.96008	0.3
91.05486	1.0
92.02569	0.2
93.07044	0.4
93.94055	0.2
94.04064	1.5
95.04978	0.3
97.02893	0.7
98.97568	1.9
105.07019	0.3
107.04955	2.8
108.05289	2.2
109.05096	0.4
110.97581	0.3
116.98616	0.9
117.07093	0.3
119.03562	2.1
119.04936	0.9
120.08091	0.3
121.02858	0.3
121.10229	0.2
128.98627	0.7
134.99670	0.5
136.06184	100.0
137.04572	2.1
137.06499	0.8
145.10059	0.3
146.99628	0.7
147.04358	0.7
147.05487	0.3
147.15121	0.2
148.06108	0.5
151.41968	0.2
158.99652	0.5
161.01242	0.4
161.06052	0.3
165.05450	0.3
170.99686	0.2
173.13239	0.4
175.03883	1.1
177.00674	0.9
190.10895	1.0
207.06541	1.8
208.06868	0.7
213.04118	0.7
215.82178	0.3
219.01767	0.4
222.04640	1.7
222.54825	0.5
223.09096	0.5
233.55533	0.4
234.13492	62.3
235.13693	1.1
235.16876	0.3
237.02884	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	235.1176
Annotation	ascr#11
Peak:m/z	Relative Intensity
55.05501	5.3
57.03458	2.4
57.07092	2.3
58.97369	2.1
61.26661	2.7
67.05515	3.5
67.47733	2.2
67.98923	2.4
69.03444	15.3
69.07065	19.9
71.16382	4.5
79.05504	5.9
81.07056	3.7
83.04984	11.8
91.05475	5.1
93.07072	2.4
95.04974	2.4
95.08603	2.5
97.06526	29.9
99.04435	5.2
105.07021	3.2
107.08601	22.8
108.71556	2.1
109.06573	3.3
109.10159	7.2
113.00826	2.2
125.05989	57.4
125.09651	3.3
135.08083	18.5
137.09650	4.3
140.10526	1.9
143.05916	5.4
143.07039	100.0
147.03139	2.2
147.04364	3.5
153.09099	15.9
158.02899	2.3
163.07549	23.8
179.10657	2.9
181.08591	13.0
189.09363	2.0
199.09662	23.1
212.18376	2.8
217.10695	2.8
235.16942	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	235.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.9
55.93515	6.2
56.96568	18.5
57.03418	5.5
57.06807	2.8
57.07073	47.8
60.04504	10.2
67.05511	12.8
69.03417	14.3
69.07073	20.4
70.06587	5.6
71.48353	4.8
72.93776	4.1
73.02919	4.1
74.06081	2.9
79.05470	9.1
81.03403	5.0
81.07049	13.7
82.09290	2.6
83.04971	9.2
84.08117	8.4
85.02890	11.3
87.04447	3.9
90.94824	3.4
91.05461	13.2
93.07035	8.3
95.04956	9.1
95.08585	11.5
97.02868	8.5
97.06541	28.4
98.97570	12.3
99.04418	3.8
105.07030	7.1
106.05030	2.7
107.04923	9.7
107.08591	16.8
109.06490	4.8
109.10127	11.1
111.04402	3.8
112.07592	4.7
112.23505	2.6
115.05399	3.0
116.98592	13.4
117.06992	4.4
119.08568	5.1
120.08099	4.3
121.02822	5.2
121.06467	8.8
123.04405	6.4
123.07974	3.9
125.05976	21.3
128.98581	3.2
130.08620	5.3
132.95802	6.7
133.06483	4.2
133.10144	5.2
134.99667	9.2
135.08023	11.1
136.07532	5.7
137.09583	3.4
139.03882	5.6
143.04941	3.3
143.07033	49.2
144.08089	9.8
146.06006	3.5
146.99620	4.3
147.04367	6.5
147.11687	5.6
149.02319	8.2
149.05945	5.9
153.00688	3.1
153.09059	7.2
157.06467	3.2
161.05977	9.1
162.03111	2.9
163.02744	2.9
163.07552	18.8
167.07021	9.9
174.96852	12.2
175.07506	6.6
175.14737	3.7
177.00710	9.2
177.05396	5.9
179.07008	2.8
179.10666	29.7
181.08557	6.4
189.05476	7.6
191.06999	9.7
199.09694	6.4
209.08022	3.3
217.19565	4.4
223.05536	3.9
232.06026	4.0
234.98914	4.4
235.06041	5.7
235.09453	6.0
235.11285	3.2
235.13242	6.4
235.16898	100.0
235.20569	10.6
236.09196	4.3
237.02841	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	235.1691
Annotation	(3E)-Laurediol
Peak:m/z	Relative Intensity
50.93007	0.6
51.02359	0.7
53.03946	4.1
55.01868	1.4
55.05510	5.7
56.96560	4.5
57.07069	5.5
61.74030	0.7
65.03940	2.2
67.05505	27.6
69.03045	1.3
69.03429	24.1
69.07060	6.2
71.02055	0.8
71.02396	1.6
71.04974	1.4
71.95228	1.0
77.03922	1.4
79.05494	45.1
81.03393	1.1
81.07056	21.3
83.04982	2.5
83.08629	3.4
85.06557	2.2
88.28048	0.7
91.05477	42.4
93.07042	100.0
94.07379	1.1
95.04966	12.7
95.08604	14.1
97.06545	3.7
97.10178	1.7
98.97559	1.3
99.08105	1.2
101.06023	1.1
105.04520	2.5
105.07021	10.8
107.04952	1.0
107.08589	28.4
108.08953	0.9
109.06532	3.0
109.10148	4.8
111.04390	0.6
111.08079	1.0
111.57484	0.6
116.98684	0.9
117.07018	4.1
119.08587	10.9
121.06517	1.9
121.10143	32.6
123.08096	3.5
123.11686	1.5
129.07027	1.9
131.08566	5.1
131.70682	0.6
133.10123	15.1
135.08031	4.0
135.11691	7.8
137.09613	2.1
143.08589	1.1
145.10086	2.8
147.08022	0.8
147.11696	2.9
149.02409	1.2
149.09639	1.5
149.13231	0.8
151.11192	2.3
153.09117	2.0
157.10121	2.6
159.92247	0.6
161.13170	0.8
163.11221	0.8
165.05434	2.1
167.10770	0.9
171.11720	2.5
173.13332	1.4
175.11343	0.9
175.14780	4.2
179.10637	4.1
189.04391	3.6
189.12790	1.2
189.16362	4.2
193.12262	1.4
199.14801	6.2
207.05438	1.5
207.17479	1.4
212.05977	0.8
213.07976	2.2
213.09805	1.1
217.15913	5.1
217.19444	1.0
231.08904	3.7
231.10872	2.0
235.13284	1.3
235.16925	43.7
235.20657	2.4
236.17270	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	235.1693
Annotation	(3E)-Laurediol
Peak:m/z	Relative Intensity
50.21999	0.6
51.02386	0.9
53.03948	4.9
53.79117	0.5
55.01867	1.2
55.05512	6.0
55.34759	0.6
56.96561	2.2
57.03423	0.9
57.07087	3.9
62.40612	0.6
62.93257	0.7
65.03936	2.5
67.05508	28.8
69.07068	6.1
70.56222	1.3
70.56593	1.2
71.04992	2.1
77.03951	1.1
77.20344	0.6
78.33400	0.6
79.05496	59.2
81.03423	0.8
81.07059	18.6
83.04989	1.9
83.08609	4.6
85.06535	1.9
91.05483	40.7
93.07046	100.0
94.07372	1.6
95.04969	11.7
95.08611	14.5
97.06530	5.5
97.10215	0.7
99.08060	0.7
105.04526	2.6
105.07034	12.4
107.04919	1.7
107.08595	32.2
109.06500	2.3
109.10143	5.5
111.04449	4.3
111.08093	1.2
117.07032	3.8
119.08586	12.2
121.06524	3.2
121.10147	47.8
122.10465	1.0
123.04427	1.5
123.08087	1.4
129.07014	2.3
131.08554	6.6
133.10141	13.7
135.08043	6.1
135.11694	11.0
137.09618	2.1
139.03918	5.5
143.08549	2.6
145.10143	2.4
147.08015	1.4
147.11690	3.6
149.09654	1.6
151.11182	0.8
153.09106	2.5
157.10091	2.4
159.11652	1.1
160.27931	0.6
161.09691	1.5
161.13220	2.1
163.07588	1.3
165.05495	1.1
171.11697	2.6
173.13264	2.0
175.11166	1.7
175.14838	4.5
179.10655	2.7
186.75616	0.6
189.12769	2.6
189.16380	4.1
191.07133	0.7
193.12245	0.8
199.14806	6.8
213.07967	1.5
217.15891	6.3
231.08978	1.9
235.09560	1.4
235.13200	1.8
235.16927	46.1
236.17226	1.2
243.81172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
51.02364	1.3
51.88919	1.6
53.03934	2.8
55.01862	3.5
55.05511	11.4
56.96549	6.4
57.03434	1.6
57.07077	13.7
57.68409	1.4
59.04985	3.8
60.12333	1.6
60.86578	1.5
65.03934	2.8
67.05508	24.6
69.03421	5.9
69.07066	17.8
70.11783	3.6
71.04629	2.1
71.04997	32.9
71.08630	2.1
73.06526	2.5
79.05497	16.9
81.07051	37.7
83.04965	6.1
83.08603	5.9
85.02884	2.5
89.06034	9.2
91.05479	25.2
93.07047	34.0
95.04971	15.7
95.08607	31.2
97.06535	9.6
97.10131	2.1
98.97597	11.3
99.08076	3.3
103.05399	1.8
105.03769	7.4
105.07033	54.8
107.04964	4.1
107.08590	79.4
109.06517	9.8
109.10156	40.8
111.04438	2.5
111.08083	14.6
115.05466	1.7
116.98612	6.5
117.06987	5.0
119.04842	2.0
119.08582	51.9
121.02869	2.3
121.06495	5.1
121.10156	30.5
123.04371	1.5
123.08116	7.4
123.11683	2.8
125.05977	1.8
125.09636	27.4
127.07535	2.3
127.11162	1.6
128.06157	1.7
129.07007	2.9
131.08556	18.5
133.06416	2.5
133.10124	37.4
134.99657	1.7
135.08038	6.4
135.11693	24.1
137.05972	1.5
137.09581	4.8
137.13272	1.9
139.03883	4.4
139.07539	4.4
142.07813	2.2
143.08572	5.3
145.06462	2.2
145.10118	21.4
146.87006	1.6
146.99722	1.7
147.08026	12.4
147.11687	84.6
149.02359	2.4
149.09610	8.2
149.13231	4.8
151.07549	2.8
151.11174	2.3
153.12750	5.3
155.07227	4.3
157.10118	10.2
158.99673	3.8
159.11678	9.1
161.09656	7.5
161.13240	10.7
163.07530	2.9
163.11200	2.3
164.07730	1.6
165.05501	3.7
165.09074	3.4
165.12744	12.4
171.11661	3.1
173.13333	8.7
175.07504	3.9
175.11171	11.3
175.14828	17.3
177.00743	2.7
177.12700	2.1
178.53551	1.5
179.10707	10.6
189.12767	4.4
189.16379	46.6
191.06978	3.2
193.12224	2.7
193.15892	6.3
194.08766	1.6
194.62460	1.3
199.14774	7.2
217.12469	2.7
217.15875	38.0
223.09172	2.2
231.10753	3.3
231.86511	1.7
235.09692	6.2
235.13177	5.7
235.16931	100.0
235.20644	4.8
236.17061	2.5
259.10010	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	235.1692
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03942	2.2
55.01878	2.8
55.05498	13.8
56.05035	6.3
56.33628	1.5
56.96563	12.2
57.05364	1.9
57.07075	15.8
58.06591	1.7
59.04990	2.7
60.02552	1.8
62.84896	1.6
63.04343	1.5
64.97859	1.7
67.05503	27.4
67.91553	1.5
69.03429	5.2
69.07065	21.8
69.40662	15.8
71.04993	28.7
71.95268	2.7
73.06538	2.8
74.06069	2.2
75.19067	1.5
79.05488	15.6
81.03406	1.8
81.07059	40.6
83.04969	4.3
83.08626	4.5
85.02921	3.8
85.06543	2.9
88.07619	9.2
89.06028	6.3
89.07948	3.2
89.56084	1.8
91.05473	21.3
93.07041	40.2
95.04971	16.4
95.08606	42.3
97.06522	9.1
97.10187	3.5
98.97579	8.8
105.06319	3.1
105.07029	55.5
107.04964	3.8
107.08591	67.1
109.06509	10.3
109.10159	34.7
111.04409	3.6
111.08080	16.0
115.05484	2.0
115.50555	1.8
116.98639	4.2
117.07031	5.3
119.06023	2.2
119.08570	53.7
121.02853	2.2
121.06507	6.5
121.10137	26.2
123.04439	3.4
123.08085	7.9
123.11689	5.0
125.05952	1.9
125.09624	23.5
127.07533	3.0
129.06989	2.5
130.07693	2.8
130.34596	2.1
131.08556	16.4
133.06448	3.0
133.10124	47.9
134.99658	2.8
135.08060	6.1
135.11705	26.0
137.09631	3.6
139.03879	3.3
143.08586	6.6
143.29773	1.7
145.06496	2.5
145.10121	21.2
147.08023	7.5
147.11684	71.7
148.12047	1.8
149.02351	2.7
149.09628	6.8
149.13249	6.9
151.07564	2.1
151.11169	2.1
153.09100	3.2
157.10117	9.3
159.11725	8.1
161.09608	8.0
161.13278	17.8
163.11197	6.1
165.09210	2.6
165.12769	7.8
173.13275	6.1
175.07515	3.0
175.11201	8.0
175.14835	20.8
177.00728	4.8
177.12834	2.2
179.07082	2.0
179.10620	13.0
185.33415	2.0
186.18530	3.3
187.18910	22.1
189.04404	4.1
189.12733	3.9
189.16382	69.6
191.06993	2.5
193.12230	2.6
193.15901	5.1
199.14848	8.2
207.05461	3.1
207.17305	1.9
213.07935	3.9
217.12454	2.3
217.15889	49.4
227.09425	2.1
229.07549	2.4
231.09018	7.5
231.10881	5.7
235.09528	4.3
235.13179	5.3
235.16946	100.0
235.20850	58.1
236.17085	2.5
243.91866	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03936	3.3
55.05281	1.1
55.05510	13.3
56.96538	1.1
57.03432	2.3
57.07078	9.0
57.10140	1.0
58.42100	1.1
65.03927	2.0
67.05508	26.5
69.07063	10.0
69.26762	1.9
69.27160	9.6
70.03815	1.0
71.04981	4.7
75.79710	1.1
79.05489	19.5
81.03390	1.6
81.07056	89.7
83.05012	1.4
83.08611	6.6
85.06538	2.2
91.05475	20.7
93.07044	31.2
95.04959	5.8
95.08607	71.7
97.06533	8.8
97.10152	2.7
98.97559	1.8
99.04430	2.4
99.08128	1.2
105.07031	52.2
107.04914	2.3
107.08593	85.6
108.09404	1.7
109.06524	5.4
109.09413	1.8
109.10152	26.2
111.04417	1.8
111.08051	3.6
113.05991	6.4
117.06980	3.2
119.08582	69.6
121.06502	3.1
121.10140	30.6
123.04358	1.8
123.08060	4.1
123.11701	51.1
125.05955	1.5
125.09628	1.8
131.08566	4.6
132.09349	1.4
133.10130	45.3
135.08055	5.1
135.11688	44.2
135.12737	1.8
136.12451	4.3
137.09636	1.9
139.03938	1.6
139.07521	1.8
139.11179	2.1
143.08533	3.1
145.10168	2.2
147.08069	3.5
147.11684	25.3
149.02315	1.6
151.07480	1.3
153.09126	7.2
157.10095	6.4
159.11673	8.7
161.09610	7.3
161.13258	77.1
162.13571	1.6
163.07512	1.6
165.09122	2.9
170.04643	1.1
171.11691	2.1
175.11143	4.4
175.14854	3.7
179.10657	5.1
189.16382	100.0
190.16685	3.9
191.07037	2.0
193.12276	1.6
199.14818	4.8
207.11880	1.2
217.15865	29.8
235.16924	87.0
236.17238	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	235.1691
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
51.02382	1.2
55.01870	2.3
55.05511	9.7
56.96556	3.5
57.03434	1.2
57.07072	11.3
59.04989	3.0
65.03947	1.1
67.05500	11.2
69.03410	4.0
69.07066	12.3
71.04975	3.4
79.05492	12.3
81.03436	1.6
81.07053	15.4
81.32111	0.8
83.04975	4.5
83.08609	5.4
85.06532	3.9
91.05480	15.7
93.07045	15.8
95.04957	7.1
95.08604	16.3
97.06535	7.8
98.20712	2.1
98.97580	1.2
103.05469	1.0
105.07026	28.8
107.04929	4.6
107.08591	30.0
109.06515	8.7
109.10163	14.8
111.04450	1.6
111.08073	4.1
115.05452	2.2
117.06966	6.8
118.54602	0.9
119.04939	1.2
119.08577	89.7
120.08887	1.7
121.02844	2.8
121.06485	3.4
121.10136	13.6
123.04442	1.7
123.08073	4.2
123.11743	4.8
128.06212	3.3
129.06989	4.1
131.08566	14.1
133.06471	2.8
133.10124	47.8
134.10490	1.3
134.99651	1.3
135.08047	20.7
135.11699	7.2
137.09637	7.1
139.03914	1.5
139.11177	1.1
142.07773	4.5
143.08586	8.1
144.09323	2.2
145.10115	17.2
146.07224	2.0
147.08034	6.3
147.11670	23.7
149.02312	2.8
149.09587	5.2
149.13261	2.5
151.07523	1.5
151.11180	8.7
155.08467	1.1
156.09322	3.5
157.10129	12.0
158.10974	4.4
159.08031	1.6
159.10692	1.1
159.11708	12.3
160.08826	1.8
160.12424	1.0
161.09610	34.1
161.13214	3.6
165.05455	1.7
165.12654	0.9
169.10106	1.8
170.10893	2.1
171.11649	7.7
173.09662	1.3
173.13248	20.6
174.10310	1.3
175.11209	13.9
175.14819	20.1
176.11821	1.2
177.12698	6.7
179.10677	12.8
184.12428	2.5
187.11169	3.8
187.14853	4.6
189.04430	2.3
189.12744	4.0
189.16351	20.8
191.06996	2.3
191.14275	2.0
193.12283	1.4
193.15878	2.9
199.14821	12.7
200.17245	1.1
202.13530	2.6
207.05571	1.3
217.15868	100.0
218.16150	1.8
235.13181	2.9
235.16925	79.1
235.20665	2.9
236.17267	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	235.1692
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
55.01859	3.7
55.05524	18.5
57.07063	13.2
59.04994	4.0
67.05499	26.8
69.03393	5.9
69.07055	14.1
69.62438	9.4
69.62868	11.2
71.05004	23.3
78.82207	2.7
79.05485	17.6
81.07053	39.7
83.04983	4.4
83.08611	8.6
85.06525	2.7
89.06023	5.0
89.93890	2.9
91.05486	21.6
93.07043	38.7
95.04980	14.7
95.08603	39.6
96.64993	2.8
97.06525	13.1
98.20801	6.4
98.97585	10.8
99.08090	3.2
104.05059	3.3
105.07040	58.7
107.04979	4.6
107.08595	77.9
109.06512	11.1
109.10154	42.9
111.04425	4.0
111.08097	16.1
115.05454	4.7
117.07015	5.9
119.08585	63.0
121.02837	3.9
121.06465	5.3
121.10136	28.5
123.08057	7.1
125.09617	19.0
129.07027	4.1
131.08527	14.2
133.10136	48.6
135.08066	6.0
135.11685	28.2
137.09619	8.4
139.07480	3.5
143.08545	8.8
145.10130	22.0
146.43399	3.4
147.08044	10.0
147.11694	82.0
149.02328	4.6
149.09645	8.1
149.13275	8.3
151.07608	3.9
157.10172	9.8
159.11690	13.1
161.09584	6.9
161.13281	11.7
163.11227	3.8
165.09309	3.9
165.12740	6.9
171.11678	4.3
173.13248	7.4
174.11754	3.1
175.11157	12.9
175.14899	16.6
177.00758	5.0
177.12721	3.2
179.10626	15.5
189.12773	5.0
189.16399	75.6
191.07018	3.8
191.14384	4.0
193.12267	4.7
193.15952	5.9
199.14830	9.7
217.15894	34.9
235.07576	4.0
235.09676	5.8
235.13326	6.2
235.16946	100.0
235.20575	4.2
236.17180	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	235.169
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03934	3.9
55.01857	3.4
55.05507	15.2
56.96555	6.7
57.07073	18.3
63.98020	2.1
65.20140	2.1
67.05199	2.6
67.05505	33.6
69.03388	2.8
69.07076	10.9
71.23913	4.4
79.05494	24.1
81.03401	2.0
81.06612	3.9
81.07059	56.9
83.08611	7.8
91.05486	21.9
93.07043	39.3
93.07591	4.0
95.04976	11.2
95.07999	3.5
95.08611	68.8
97.06523	9.1
97.10127	2.0
98.97554	2.4
99.04437	2.0
105.07035	43.0
105.63175	2.1
107.04933	5.1
107.08595	100.0
108.09402	3.9
109.06503	6.9
109.10155	25.4
111.08077	3.8
113.05997	4.6
116.98608	5.5
117.06992	2.0
119.08584	58.2
121.02843	2.4
121.06467	2.5
121.10152	31.0
123.08051	4.3
123.11701	53.2
131.08611	3.0
133.10146	40.5
135.08031	4.0
135.11690	51.1
136.12408	5.9
137.09521	3.0
137.13213	2.3
139.11070	2.0
145.10172	3.4
147.08034	4.9
147.11658	14.9
149.02229	2.7
157.10101	2.1
159.11688	8.1
161.09613	5.3
161.13260	67.4
165.05467	3.8
175.11176	6.1
179.10654	10.4
189.12794	4.7
189.16379	64.5
191.07004	2.3
199.14763	3.9
217.15898	13.0
235.13280	5.9
235.16930	70.6
235.20488	3.8
253.93431	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	235.1692
Annotation	1(10),4-Cadinadien-14-oic acid
Peak:m/z	Relative Intensity
51.02369	1.3
53.00277	1.0
53.03944	1.4
55.01870	2.2
55.05513	11.2
55.74873	0.9
56.96566	7.8
57.07076	16.3
59.04989	2.3
61.31010	0.9
64.75734	1.2
65.03912	1.9
67.05506	22.1
69.03417	3.8
69.07069	12.6
70.75622	1.3
70.75956	2.3
71.04999	26.2
71.08612	1.8
79.05494	12.6
79.25978	1.0
81.03402	3.4
81.07057	28.8
83.04982	5.2
83.08638	5.3
85.06540	3.1
87.04453	3.1
89.06030	6.7
89.78925	0.9
91.05486	13.9
93.07043	30.4
95.04971	11.8
95.08609	28.5
97.02878	1.2
97.06535	11.9
97.10181	3.0
98.97594	2.7
99.08102	2.8
103.24973	1.1
105.07033	41.0
106.41365	0.9
107.04953	4.9
107.08590	47.4
109.02888	1.7
109.06516	9.8
109.10157	35.1
111.04423	3.2
111.08096	11.0
115.05459	2.4
116.98583	1.4
117.06989	3.7
119.08582	38.8
120.08905	1.4
121.02898	2.2
121.06516	5.1
121.10149	23.7
123.04416	4.0
123.08079	6.0
123.11706	4.5
125.06004	2.0
125.09628	23.3
127.07543	1.9
127.11209	1.5
127.94847	1.0
128.06215	1.2
129.06963	2.0
130.07787	1.2
131.08577	11.6
133.06480	2.9
133.10124	30.4
134.99669	1.5
135.08040	5.7
135.11690	15.6
137.05978	1.9
137.09668	5.3
137.10498	1.1
139.03864	1.9
139.07542	2.1
142.07794	1.1
143.08571	5.6
145.06580	1.5
145.10127	16.9
147.08031	4.4
147.11687	63.3
148.12057	1.2
149.02344	3.2
149.09567	5.6
149.13232	3.9
150.05507	3.5
151.07613	1.3
151.11208	1.5
153.09166	2.3
157.10121	8.3
159.11665	8.7
161.05902	1.2
161.09633	4.2
161.13263	12.2
163.07552	2.5
163.11168	2.5
165.05470	3.1
165.09088	3.4
165.12743	8.8
171.03247	1.3
171.11638	1.8
173.05984	1.4
173.09547	1.3
173.13202	5.4
175.07538	3.6
175.11194	7.9
175.14851	18.6
177.00800	1.5
177.12840	1.4
178.07803	1.2
179.07097	1.9
179.10719	9.1
186.58691	1.1
189.04364	5.3
189.06825	1.3
189.12759	3.4
189.16383	38.4
191.07014	3.8
191.17926	1.0
193.12193	3.3
193.15857	3.5
199.14821	7.2
207.05411	3.2
217.08606	1.8
217.12544	1.2
217.15897	31.9
217.19463	3.9
218.16183	1.2
235.09489	2.6
235.13538	5.3
235.16931	100.0
235.20308	5.6
236.09157	2.3
236.17265	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	236.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35057	0.4
55.05518	2.4
56.05030	0.5
56.96568	3.3
57.07071	3.9
58.02951	0.6
58.99167	0.5
59.04997	3.4
60.04525	43.2
65.03927	0.7
67.05509	6.5
69.03429	1.6
69.07066	3.3
70.02953	0.6
70.06600	1.8
70.66850	0.9
70.67205	1.2
72.08144	0.6
73.02927	0.7
73.06566	1.1
74.06080	1.4
81.03414	0.7
83.05007	0.8
84.08169	0.8
85.02898	2.2
85.06544	6.8
86.02413	3.8
87.04478	0.6
87.08115	0.7
88.03991	2.1
91.05472	0.6
95.04968	7.8
97.02891	2.0
97.06499	0.7
98.97575	2.8
103.05476	0.7
103.07597	4.3
106.05029	100.0
110.07166	0.7
113.05950	0.6
116.03440	1.4
116.98622	2.4
118.06582	0.7
119.01859	0.5
120.08090	0.5
126.09152	1.0
128.98595	0.8
132.02908	6.2
134.99643	0.9
137.05896	0.6
146.04115	0.5
146.05936	1.4
146.99648	0.6
147.03264	1.1
147.04390	1.1
150.33682	0.5
154.08609	4.2
154.51538	0.5
155.04636	7.5
155.54826	0.9
158.99638	0.8
161.02876	0.7
162.10210	1.6
164.05157	4.2
164.07127	0.6
165.04387	0.7
172.09666	2.3
174.11192	0.8
177.00662	1.5
177.05502	0.6
180.85042	0.6
190.10678	1.9
190.12158	0.6
200.07404	0.7
200.09157	7.1
218.06427	0.5
218.10384	10.7
219.01839	0.7
227.06664	1.2
236.09187	3.2
236.11215	23.8
236.16991	1.6
236.20665	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	237.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.0
55.05526	7.1
56.05041	8.5
56.96569	45.8
57.03446	10.6
57.07080	3.6
58.99860	4.1
59.05021	1.9
60.04287	1.3
60.04532	15.8
60.95847	5.2
61.01148	4.1
61.02930	20.3
67.05508	10.8
69.03156	1.5
69.03439	15.8
69.07082	7.0
69.26479	12.4
69.26906	3.4
69.85780	1.4
70.03773	1.4
70.06582	6.1
70.98109	2.1
71.04984	5.6
72.08145	3.5
73.02923	17.5
74.06054	1.9
74.97592	2.2
77.00916	12.0
79.05484	5.3
81.03429	10.9
81.07055	7.7
83.04978	5.3
83.08649	3.4
84.01552	4.3
84.04507	2.7
84.08128	4.9
84.96046	4.0
85.02903	24.7
85.04031	2.4
86.03212	1.9
86.09726	2.5
87.04452	5.1
90.01573	2.3
91.03944	2.4
91.05470	5.9
93.02094	4.2
93.07056	7.5
94.06528	1.6
95.01939	6.9
95.04968	2.7
95.08587	4.3
96.01569	2.3
97.02897	26.4
97.06511	2.9
98.97578	21.0
99.04451	3.3
100.02483	8.8
100.99114	2.0
102.05539	2.0
103.02399	2.3
103.05461	5.7
104.01321	1.5
104.05322	12.4
105.02091	5.2
105.07020	2.3
106.05028	4.1
107.04905	2.9
107.08575	4.5
108.08118	2.7
109.02879	4.7
109.06538	1.5
109.10134	2.4
110.01271	6.1
110.97570	2.5
111.02064	6.7
111.08100	1.9
112.99123	3.8
113.01736	3.1
115.02376	3.3
116.98633	16.3
117.02054	2.8
117.06994	1.6
118.02795	3.6
118.03531	7.1
118.06582	2.2
119.00152	1.9
119.01847	15.2
120.02615	2.4
120.08109	100.0
121.01651	2.7
121.10134	4.4
124.99062	1.5
125.01797	4.9
126.02586	2.8
127.03924	6.6
128.02293	2.0
128.04219	1.7
128.98616	8.4
129.01965	1.8
130.05002	2.1
131.00166	8.7
131.01852	4.2
132.02574	1.9
133.01683	1.9
133.03276	6.2
133.10089	1.7
134.02338	7.7
134.03265	1.7
134.99625	10.2
135.03055	2.3
135.11728	3.2
136.07582	1.8
137.02864	3.1
137.05949	2.4
137.09639	2.4
138.05415	2.2
140.03206	3.8
141.04033	2.0
143.00150	3.1
143.01845	2.2
143.02844	17.5
143.08151	3.0
145.04967	1.7
146.02281	3.4
146.06052	10.2
146.55095	2.1
146.99666	12.2
147.01233	1.5
147.03108	18.3
147.05035	2.6
148.03841	2.2
148.04887	2.0
149.01236	31.3
149.02570	2.2
149.02809	1.9
149.04761	2.7
150.05844	12.1
150.99072	2.5
152.03412	1.7
152.04514	1.7
153.04042	3.6
153.05440	1.5
154.08632	9.6
155.01767	1.8
155.02885	3.2
155.54742	2.8
156.03619	93.8
156.53809	5.7
158.99675	6.1
159.05025	3.3
161.01199	4.7
161.02902	4.5
161.56868	1.5
163.02670	2.0
163.04359	3.4
165.00661	5.1
165.04205	5.2
167.02267	14.2
167.54431	10.5
168.99963	2.0
169.03441	1.8
170.99673	4.4
171.05092	10.7
173.01331	2.1
173.02960	6.0
174.05499	5.0
175.02614	2.4
177.00720	11.2
177.02267	3.3
177.04039	1.7
178.55132	1.5
179.02257	2.1
182.03325	5.4
184.08136	2.2
185.03064	1.9
187.00935	2.0
187.02853	3.4
187.04532	8.4
189.00703	7.1
189.06061	13.2
190.98643	5.7
191.02245	10.9
191.03947	4.5
191.08446	1.7
194.06618	2.8
197.02975	2.7
198.02895	3.2
200.04431	5.7
201.00780	2.0
203.02278	2.5
205.03719	2.8
206.04326	1.5
207.01775	3.1
209.03195	2.8
209.04942	3.1
212.07686	1.7
212.98918	3.6
214.05659	4.5
215.03978	6.2
219.01801	5.2
219.21190	1.9
220.06071	3.1
222.01549	2.1
226.05980	2.8
228.05620	9.3
231.01784	1.9
232.04921	2.3
233.05066	5.9
236.57443	2.4
237.03325	8.3
237.06274	5.4
237.08672	15.1
237.11320	2.3
237.12621	5.1
237.14992	1.8
237.18388	2.9
237.22137	6.5
238.05539	1.8
249.02835	2.4
255.03853	8.5
255.06557	1.5
256.06631	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	237.1234
Annotation	Phe Ala
Peak:m/z	Relative Intensity
53.03950	0.6
54.15589	0.3
55.01862	0.7
55.05511	2.7
56.96565	1.9
57.03423	0.7
57.07074	2.1
60.10493	0.3
67.05508	2.4
69.03432	0.7
69.07067	3.4
69.90726	0.6
69.91140	1.3
70.06571	0.5
71.04972	0.6
71.08605	0.7
72.08147	0.5
73.02891	0.5
76.51430	0.3
79.05480	2.5
81.03401	0.5
81.07063	3.6
83.05000	1.6
83.08634	1.7
84.08140	0.8
85.02898	1.0
85.06523	0.5
86.09691	0.5
88.03985	0.5
90.05549	0.4
91.05467	1.6
93.07052	4.0
95.04972	1.1
95.08605	2.1
97.02891	1.0
97.06520	1.4
97.10212	0.7
98.97552	0.4
99.08036	0.4
103.05461	6.2
103.06087	0.2
105.07019	1.2
106.06590	0.4
107.04980	0.4
107.08591	2.0
108.08119	0.4
109.06512	0.6
109.10150	1.2
111.04447	0.5
111.08092	0.7
113.09663	0.4
116.98607	0.9
117.07046	0.5
118.06501	0.7
119.04919	0.6
119.08551	0.6
120.08099	100.0
121.06545	0.4
121.08427	1.1
121.10131	1.5
123.04462	0.4
123.08092	0.6
123.11705	0.7
125.05951	0.6
125.09579	0.8
129.10252	0.4
131.04877	0.6
131.08632	0.6
134.99655	0.7
135.08066	0.6
135.11682	0.8
137.05940	0.6
139.11171	0.5
146.06050	0.7
146.09651	1.7
146.99603	0.6
147.04434	0.4
149.09566	0.4
149.13261	0.8
154.08600	0.9
159.11673	0.4
163.03963	0.4
163.07562	0.8
163.14821	0.6
173.13321	0.4
177.00691	0.4
191.11972	0.4
192.10185	1.6
219.06544	0.5
219.13797	0.4
219.21133	1.0
223.16849	0.3
230.25676	0.3
237.09297	0.8
237.12401	3.1
237.14967	1.3
237.18372	1.9
237.22081	4.3
237.24263	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	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
51.10218	0.6
53.03931	2.3
54.13168	0.7
54.49718	0.7
55.01865	2.1
55.05278	0.7
55.05513	8.1
56.83109	0.6
56.90715	0.6
56.96543	3.1
57.03422	0.9
57.07081	3.5
59.04995	0.8
67.05193	0.8
67.05507	10.1
69.03419	1.2
69.07069	9.7
70.75233	1.7
71.04996	1.5
71.08609	1.1
72.70022	0.7
79.05494	10.6
81.03406	1.7
81.06614	1.0
81.07056	16.2
83.04971	3.1
83.08619	5.6
85.02909	0.7
85.06528	1.9
91.05487	6.1
93.07038	11.6
95.04395	1.1
95.04962	14.1
95.08604	10.9
97.06516	2.9
97.10165	2.9
99.04442	1.8
99.08060	1.5
105.04533	0.8
105.07031	4.3
106.45110	0.7
107.04932	2.1
107.08605	6.8
108.05749	8.2
109.05833	1.3
109.06519	22.2
109.10157	6.2
111.04416	2.0
111.08081	2.7
115.96424	0.8
117.06998	2.1
119.08557	2.8
121.06506	4.7
121.10162	5.3
123.04365	0.8
123.08054	2.0
123.11688	2.5
125.09615	2.4
127.11143	1.0
131.08534	2.5
133.10136	2.7
135.08073	4.2
135.11667	2.9
137.05948	0.8
137.09581	0.9
137.13264	0.8
139.07544	1.1
139.11143	0.8
145.10126	2.3
147.11598	0.9
149.02335	2.3
149.13226	2.9
149.66766	0.7
151.07484	2.1
151.11198	1.0
153.09062	1.0
157.10181	1.1
159.11673	2.1
161.05983	0.8
163.07535	1.2
163.11177	0.8
163.14790	1.5
165.07056	1.3
167.08492	1.0
173.13235	1.4
177.12730	2.6
177.16307	0.9
179.14389	0.7
181.10127	1.1
187.10054	0.8
191.14279	1.8
193.04947	0.8
194.07272	0.9
195.11655	1.5
201.12770	1.0
201.16260	0.9
209.09531	0.8
209.13132	0.8
219.13757	3.7
219.17418	1.9
219.21065	2.6
237.09106	3.2
237.14824	100.0
237.18622	3.3
237.22086	8.2
238.15202	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	237.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26918	0.2
53.03941	0.6
53.57347	0.2
55.01873	0.9
55.05513	6.3
59.04996	0.5
63.32022	0.2
65.03940	0.9
67.05506	5.6
69.03429	0.8
69.07054	1.0
71.04989	2.6
79.05493	3.9
81.03417	3.9
81.07051	5.0
83.04971	1.3
83.08618	1.5
85.02905	1.7
85.06542	0.4
91.05479	4.6
93.07049	4.7
95.04965	100.0
95.08607	4.4
96.05296	1.2
97.06532	0.8
97.10176	0.6
98.21548	0.3
99.04441	0.3
101.09667	0.2
103.51669	0.2
105.07022	2.3
106.19283	0.2
107.04961	0.4
107.08582	1.8
109.06513	3.9
109.10144	1.1
111.04512	0.2
111.08073	0.7
113.08700	0.2
115.05456	0.3
116.30226	0.2
117.07021	2.3
119.08575	2.2
121.06509	2.9
121.10129	1.4
123.04410	0.5
123.08070	0.7
128.06256	0.2
129.07037	0.7
131.08572	3.2
133.06456	0.2
133.10130	3.1
135.08073	2.6
135.11676	0.9
135.29765	0.2
137.06038	0.2
137.09601	1.1
141.06987	0.6
142.07823	0.2
143.08586	0.8
144.09302	0.2
145.06506	0.2
145.10135	0.9
147.08063	0.3
147.11642	0.3
149.02313	0.2
149.09621	0.6
149.13269	1.5
155.08569	0.9
157.10150	0.9
159.08081	0.3
159.11679	3.4
159.12900	0.3
161.09615	2.6
168.09309	0.4
173.13251	2.5
175.11191	0.5
177.12741	5.8
183.11751	0.9
191.14314	0.7
193.05128	0.3
193.09909	0.3
201.12746	2.0
219.13820	1.8
237.07559	0.3
237.14804	4.0
237.16902	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	238.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
55.05494	4.0
56.96560	19.1
57.03423	2.9
58.99862	25.6
61.02922	6.7
65.03917	1.8
67.05501	18.9
67.38304	1.6
69.03415	4.2
69.07061	4.2
69.82942	5.7
69.83359	3.3
70.06578	2.6
71.05013	1.7
71.42927	1.8
72.08147	2.0
73.02911	7.1
77.00908	100.0
79.05482	2.9
80.69160	1.7
81.03421	5.6
81.07062	3.4
82.01445	6.2
83.04964	5.2
83.08599	2.0
84.08167	3.0
85.02909	4.8
89.00858	1.7
89.03889	2.4
93.07073	2.0
95.01332	3.0
95.01941	51.4
95.02517	3.4
95.04977	7.3
97.02887	4.8
98.97552	3.8
100.02478	52.7
101.00837	2.5
103.02451	4.3
105.00408	3.0
105.96313	2.9
106.06554	5.7
107.84609	1.9
109.10190	2.6
115.02378	4.0
116.98631	2.9
118.03527	42.6
119.01918	16.8
120.08101	4.7
121.03502	4.8
121.08442	4.7
123.04049	2.7
124.49940	1.8
125.04520	2.8
128.01295	1.9
129.03970	3.9
131.01912	7.8
132.99765	2.0
133.03473	7.4
134.99687	2.3
137.03023	4.0
141.03979	12.3
141.04947	2.7
143.05544	9.1
144.99817	2.9
145.03505	4.2
146.09668	3.3
146.99669	4.1
147.04997	3.1
151.00903	4.9
153.03960	17.5
156.01427	17.4
156.03575	3.3
156.53809	4.3
157.03496	5.6
159.05017	35.0
161.01224	3.7
161.06581	12.4
162.99068	2.2
163.03874	19.4
166.07137	9.0
167.02162	1.9
169.03432	22.8
171.05026	77.3
172.95218	2.6
173.02979	3.9
174.02490	19.9
175.04637	2.9
177.06119	6.6
178.08612	2.1
182.06670	2.7
184.08205	15.2
187.00925	2.5
187.02863	1.8
187.04512	41.0
189.00562	1.9
189.06075	80.6
190.98573	2.0
192.05054	2.3
192.10194	2.2
194.06621	25.9
197.02850	9.9
203.02324	2.0
205.05630	3.5
210.06108	13.0
212.07677	18.4
215.03993	30.2
220.04605	6.7
228.07251	3.2
231.01935	2.7
233.01537	2.5
233.05070	49.4
238.05313	14.0
238.10876	3.2
238.14619	1.8
238.22435	2.4
239.08960	4.6
249.02739	4.2
251.02538	5.5
256.06717	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	239.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94136	1.0
55.05500	5.3
55.15591	1.0
56.75783	1.3
56.96553	4.6
57.03401	1.6
57.07060	4.4
59.04987	1.5
59.70866	1.1
62.78599	1.1
67.05504	22.5
69.03426	1.3
69.07073	9.0
71.04974	3.4
71.08614	1.6
71.49863	1.9
79.05475	6.1
80.94849	2.2
81.07055	26.3
83.08592	1.5
89.06018	3.1
91.05478	5.3
93.07046	2.3
95.04978	2.6
95.08607	8.2
97.06534	1.5
97.10161	1.4
99.04442	5.0
105.07034	4.8
107.08590	1.8
109.06511	2.1
109.10140	4.3
115.05425	2.0
117.07026	7.8
119.08569	3.6
121.10158	1.7
128.06221	4.7
129.06989	24.7
131.08563	6.1
133.10106	4.3
138.37106	1.1
141.06998	18.9
142.07758	3.4
142.61256	1.1
143.08548	11.8
145.10095	3.8
147.11774	2.1
153.06941	2.0
154.07774	3.5
155.08557	23.1
156.09396	1.5
157.10127	15.4
159.11713	11.6
165.06985	2.1
167.08553	3.7
168.09312	3.3
169.10129	24.7
171.11696	27.1
173.13258	4.3
179.08607	1.0
181.10097	4.4
182.10933	1.8
183.08128	1.3
183.11687	40.7
185.13252	3.8
189.12744	1.4
192.91226	2.3
195.11714	2.8
196.12503	4.3
197.13251	34.8
198.13921	2.1
210.13994	1.2
210.92099	6.5
211.07654	1.4
211.14816	7.1
219.28018	1.2
221.15457	2.0
227.61536	1.2
239.06981	2.3
239.08942	12.9
239.17955	100.0
240.18176	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	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01863	3.1
55.05514	35.1
56.35595	2.6
56.96548	3.0
57.03429	5.2
57.07082	21.9
59.05002	28.0
67.05508	29.8
69.03429	5.6
69.07069	43.5
69.62684	16.2
71.04996	14.4
71.08631	5.4
78.11938	2.2
79.05499	16.6
81.07059	84.7
83.05003	5.2
83.08617	21.3
85.04032	2.5
85.06528	13.0
91.05496	12.8
93.07047	28.3
93.40281	2.4
94.86551	2.5
95.04946	5.9
95.08612	100.0
97.02922	2.7
97.06524	13.1
97.10183	20.1
98.97611	2.4
99.04445	3.7
99.08088	3.4
100.36647	2.6
105.01369	2.8
105.07047	17.1
107.08602	36.8
109.06527	8.4
109.10165	50.8
110.10522	3.1
111.08047	11.7
111.11699	13.1
113.09684	2.5
115.07578	5.3
119.08584	31.9
121.02850	3.8
121.10139	25.4
123.04485	3.0
123.08077	5.9
123.11699	26.9
125.09601	11.9
129.07051	3.1
130.19925	2.5
133.10135	26.4
135.11693	22.3
137.09608	9.9
137.13264	69.8
139.11220	22.2
141.94221	2.6
143.10706	6.7
145.10129	3.4
147.11676	26.6
149.02361	19.6
149.13269	11.3
151.11177	9.9
151.14841	4.7
153.12700	5.9
155.08546	3.2
157.12271	3.3
161.13304	13.6
163.14830	28.9
165.07053	3.4
165.09087	6.3
165.12759	6.7
167.07106	2.9
169.10086	4.5
175.14803	5.6
177.16367	8.2
179.03491	2.6
183.11745	3.2
193.15897	3.6
193.19627	5.0
203.14359	3.0
203.17970	47.2
211.07632	2.6
221.15414	4.7
221.19012	53.3
234.12573	5.1
239.07018	9.8
239.08998	9.0
239.18129	3.5
239.20078	32.0
249.26305	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	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03954	4.1
55.05504	24.7
56.26618	2.3
56.96563	3.7
57.03433	5.0
57.07078	23.1
58.02997	2.5
59.05008	25.1
59.37389	2.8
67.05505	18.7
69.03411	3.9
69.07069	40.2
69.85111	12.8
71.04991	7.7
71.08617	5.6
71.68649	3.1
73.87036	2.4
76.88340	2.4
79.05492	13.9
81.07058	75.6
83.04976	3.6
83.08624	20.8
85.02957	2.4
85.06529	9.2
91.05463	8.4
92.98633	2.6
93.07047	23.3
95.04948	3.8
95.08611	100.0
97.06525	12.9
97.10184	17.7
99.08092	5.3
105.07047	15.7
107.08589	34.5
109.06483	4.0
109.10157	43.9
111.08071	8.9
111.11719	11.7
113.00561	4.2
115.07613	3.2
119.08573	24.4
121.06565	2.5
121.10153	27.2
123.08081	4.8
123.11714	34.1
125.09644	12.7
133.10103	25.0
135.11711	22.7
137.05980	3.4
137.13264	87.1
138.13527	3.2
139.11165	22.2
143.10669	11.3
145.10086	2.7
147.11707	24.1
149.13242	17.3
151.11180	10.1
153.12732	4.7
161.13258	11.8
163.14818	29.8
165.07028	4.5
165.12791	9.1
175.14847	4.1
177.16385	9.8
183.04738	5.3
183.08109	3.1
193.19554	6.6
203.17958	46.0
210.13947	2.9
221.19000	57.5
239.06993	11.2
239.09012	4.7
239.20049	36.5
243.53035	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	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03932	2.3
55.01868	4.7
55.05282	2.6
55.05517	33.7
56.96558	5.2
57.03435	4.1
57.07078	22.7
59.05007	26.1
67.05506	30.9
69.03423	8.0
69.07076	48.6
69.20608	19.5
71.04994	14.7
71.08630	5.4
73.06561	4.1
79.05497	21.7
81.03438	2.4
81.07060	100.0
83.04969	6.8
83.08631	27.5
85.02909	4.9
85.06552	11.4
87.04453	2.3
89.06016	6.1
91.05486	14.3
93.07051	34.9
95.04959	6.8
95.08614	95.6
97.06545	13.1
97.10178	15.0
98.97552	3.3
99.04457	4.0
99.08089	6.6
101.05992	2.2
102.96889	1.8
105.03395	3.5
105.07041	21.5
107.04914	2.0
107.07896	3.1
107.08600	40.7
108.05424	2.0
109.06511	7.1
109.10168	46.3
111.04447	2.1
111.08064	10.1
111.11734	13.9
112.23190	1.8
113.09612	3.8
115.07554	4.4
116.98603	3.3
119.08591	26.0
121.06470	3.0
121.10142	37.1
123.04433	4.6
123.08076	6.4
123.11707	34.0
125.09634	14.9
127.11192	2.9
129.07005	2.2
131.08553	3.9
133.10132	27.8
135.07939	2.8
135.11699	31.4
137.05931	2.7
137.09608	7.7
137.12206	4.1
137.13264	77.6
139.07454	2.2
139.11174	21.2
143.08557	2.3
143.10690	7.8
145.10161	4.5
147.08025	2.6
147.11687	26.6
149.13258	15.2
151.11162	10.0
151.14864	2.2
153.12773	3.7
155.08543	5.9
157.10199	2.5
157.12219	2.4
161.13278	12.2
163.14836	33.0
165.07021	4.3
165.12796	6.0
167.08566	2.2
169.10149	5.3
172.54152	2.0
175.14819	5.3
177.16391	8.9
179.09035	1.9
179.10701	3.9
179.14305	3.6
182.10861	2.3
183.06561	4.8
183.08038	2.8
183.11682	6.9
193.10277	2.4
193.12227	1.9
193.15982	3.3
193.19516	6.5
195.08090	2.3
197.13243	4.5
203.14334	3.9
203.17979	54.7
211.07654	4.4
211.14772	2.0
221.09642	2.5
221.11650	4.6
221.15338	4.9
221.19028	50.9
239.07098	9.0
239.08855	14.4
239.10783	7.0
239.14375	4.1
239.17944	9.2
239.20073	27.5
240.06651	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	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03939	2.8
55.01856	3.7
55.05275	3.0
55.05511	34.2
56.96551	6.5
57.03434	6.0
57.07074	19.6
59.05000	24.0
63.97942	1.9
66.34115	1.8
67.05505	37.8
69.03418	7.0
69.07069	45.9
71.04990	11.4
71.08611	7.9
73.06546	4.6
79.05495	19.7
81.03365	2.5
81.07055	100.0
82.97231	2.1
83.04969	7.1
83.08620	21.9
85.02892	6.0
85.06545	13.6
89.06025	7.5
91.05469	15.8
93.07043	29.9
95.04963	8.5
95.08604	97.5
96.08910	3.1
97.06525	13.2
97.10174	14.1
98.97587	6.1
99.08071	7.6
101.06023	3.2
105.03392	11.2
105.07037	20.2
107.04910	2.9
107.08592	38.6
109.06512	5.8
109.10158	46.4
111.04440	3.7
111.08089	12.6
111.11713	12.6
113.09657	2.5
115.05370	2.5
115.07549	5.1
116.98634	4.1
117.06957	2.6
119.08582	25.3
121.06508	2.6
121.10140	29.1
123.04370	2.9
123.08044	5.6
123.11710	29.2
125.09622	10.0
127.11163	5.0
131.08603	3.1
133.06471	3.2
133.10123	21.1
134.99661	2.3
135.08061	2.1
135.11705	29.4
137.09596	7.0
137.13257	63.9
139.11177	15.9
143.10654	5.2
145.10074	4.5
147.11671	21.2
149.13277	13.7
151.11148	5.9
151.14810	2.4
153.06981	2.1
153.09048	2.6
153.12715	4.4
155.08601	4.7
157.10156	2.9
157.12161	2.5
159.11650	3.0
161.09653	3.5
161.13225	8.9
163.14833	27.5
165.06947	6.1
165.12729	5.8
167.08554	3.3
169.10080	4.7
175.14795	7.1
177.16399	8.4
179.03377	2.0
179.06918	2.3
179.08780	2.8
179.10551	3.9
179.14345	2.9
181.06561	2.4
181.10126	3.1
183.06538	4.8
183.07970	2.5
183.11687	4.7
185.13445	2.1
193.06682	2.2
193.10135	3.3
193.11879	2.2
193.19560	5.6
197.13232	4.0
203.14233	2.5
203.17967	45.5
208.08684	3.1
211.07547	3.5
211.14735	3.5
217.09082	2.3
221.11717	2.3
221.15364	7.5
221.18985	42.4
228.77890	2.0
234.11108	2.3
239.06895	14.3
239.08813	13.0
239.10886	9.5
239.14279	5.9
239.17911	9.2
239.20035	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	239.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.05512	23.2
56.96560	2.7
57.07076	100.0
62.87303	1.2
65.03922	1.7
67.05505	50.9
68.10828	1.0
69.03430	1.1
69.07070	26.9
71.04993	2.2
71.08631	59.3
71.50163	1.7
79.05479	5.4
80.94855	1.5
81.07055	58.3
83.08621	27.6
85.06553	5.4
85.10181	30.0
89.06036	3.1
91.05486	1.3
93.07043	4.4
95.08607	78.3
97.10168	15.2
99.04462	2.1
99.08087	3.2
102.04786	0.9
105.07020	1.5
107.08578	1.1
109.10157	27.0
111.11697	1.5
119.08585	1.4
121.10143	1.8
123.08000	1.1
123.11699	9.5
125.59492	0.9
129.07010	2.3
130.57970	1.2
131.08574	1.2
137.13258	3.2
143.08594	1.3
154.07732	0.9
155.08566	2.7
169.10141	3.2
183.11597	5.2
197.13272	3.1
210.92206	1.7
239.06909	1.2
239.08922	8.4
239.14278	2.3
239.18001	9.5
239.23711	2.7
240.06546	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	239.2369
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00306	0.8
53.03960	1.1
55.05511	22.8
56.96595	0.5
57.07075	100.0
57.25720	0.5
65.03947	1.2
65.25915	0.5
66.52840	0.5
67.05507	49.7
68.05869	0.6
69.06688	1.2
69.07069	25.6
69.26823	0.7
69.27135	5.9
71.04998	1.7
71.08632	63.5
74.67115	0.6
79.05490	5.0
81.07056	50.5
83.04917	0.5
83.08621	31.0
85.06542	4.5
85.10182	31.2
89.06028	0.6
91.05495	1.4
93.07047	2.8
95.04979	0.9
95.08607	74.3
96.08959	0.7
97.10168	12.0
99.04459	2.4
99.08085	2.0
99.11731	1.3
105.07045	0.9
106.29926	0.5
107.08608	1.1
109.09393	1.3
109.10151	27.9
111.04501	0.5
111.11715	2.3
113.09613	0.9
121.10180	0.6
123.11710	8.5
125.13271	0.6
133.10153	0.6
137.13252	3.1
151.14859	1.1
162.25427	0.5
163.57782	0.6
165.06993	0.7
169.10127	1.5
183.08183	0.6
183.11708	1.2
192.91185	0.7
210.92175	0.8
221.22644	0.8
239.06808	0.8
239.09015	3.7
239.14290	1.2
239.17891	2.5
239.20058	1.0
239.23579	1.8
240.06520	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	240.123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.7
59.04998	0.4
65.03943	0.6
67.05489	0.6
67.18851	0.3
67.45860	0.4
69.03380	0.4
70.04502	1.0
70.04918	0.7
70.06569	0.7
72.04523	0.3
72.08137	0.6
79.05463	0.9
81.03391	0.5
81.07045	0.4
84.08136	0.8
85.02888	0.8
85.31824	0.3
86.09698	0.4
87.05515	0.3
91.05432	0.5
95.04989	0.5
95.06085	0.4
98.97552	0.4
103.14904	0.3
104.04985	0.4
106.06568	1.9
107.04919	0.6
107.07327	0.5
110.06019	0.8
116.98578	0.4
120.08096	2.0
121.06506	0.4
122.06003	0.5
124.07595	0.5
134.06007	1.5
134.99612	0.7
138.05495	1.5
148.07556	0.7
150.05501	0.4
151.06270	1.1
164.07069	12.1
165.07840	4.5
166.05019	5.3
166.08649	30.8
174.00746	0.6
177.00670	0.4
178.08650	0.4
179.09492	0.4
180.10248	0.5
181.07356	0.4
190.34702	0.4
194.08148	0.6
196.09698	19.6
208.09691	13.6
209.10472	3.2
210.07666	4.3
210.11244	8.5
222.11359	0.3
223.53784	0.3
240.12305	100.0
241.12556	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	241.0858
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
50.01601	1.2
51.02375	3.5
53.03946	12.9
55.01870	6.2
55.05279	1.1
55.05515	13.3
55.46524	0.8
56.96555	2.6
57.03418	3.7
57.07058	3.9
62.01579	0.9
63.02358	0.9
65.03933	5.5
67.05507	33.2
69.03427	5.5
69.07077	7.1
71.04991	4.0
71.08618	2.8
75.02693	1.2
76.65799	1.0
77.03925	4.2
78.04711	2.4
79.05495	83.3
80.06267	3.1
81.03412	7.2
81.07052	13.1
83.04984	19.5
83.08614	4.0
85.02884	2.1
85.06540	3.1
89.03920	46.4
91.05482	6.6
93.03722	8.2
93.07046	8.9
95.04968	52.5
95.08609	10.5
95.69446	0.9
96.05743	3.9
97.02895	1.8
97.06528	3.5
97.10167	2.9
98.20776	3.4
98.97578	3.1
99.04466	1.3
100.85188	1.0
103.05476	5.0
105.03403	4.9
105.04511	6.8
105.07014	4.2
106.04180	3.6
107.04965	10.3
107.08591	5.4
109.06491	1.7
109.10200	6.8
111.04455	4.5
111.07988	1.4
111.11760	1.1
115.05432	7.3
116.98619	2.4
117.03381	33.7
117.06990	2.2
119.04950	2.8
119.08578	4.2
121.02867	1.1
121.06512	3.1
121.10139	6.8
123.11698	4.0
125.02431	1.0
125.05990	1.9
125.09661	1.0
127.11381	0.9
128.06219	9.3
129.03334	1.3
129.07027	11.7
131.04921	4.2
131.08566	3.4
133.02884	7.4
133.10170	2.4
134.03633	26.7
134.99672	2.9
135.04414	54.6
135.11668	3.3
139.11140	1.3
141.06970	6.7
142.07770	8.9
143.04926	4.8
143.08540	3.3
144.05733	2.1
145.02853	41.5
145.06506	3.9
145.10149	4.2
146.03627	2.1
147.04425	3.9
147.11659	2.6
149.13277	2.8
152.06184	8.5
153.07004	3.9
154.07744	2.7
155.04912	2.1
155.08536	2.5
156.05704	4.8
156.09386	1.4
157.02776	1.3
157.03932	1.4
157.06491	7.8
157.10107	3.9
159.04419	6.5
159.08011	2.0
159.11751	2.2
161.02351	4.0
162.03104	6.6
163.03906	100.0
163.11203	2.7
165.07004	8.9
166.07777	2.7
167.08556	14.7
168.05713	1.2
169.06508	4.8
169.10153	2.0
170.07307	4.2
171.04440	4.1
171.08081	3.9
171.11685	3.1
173.02362	1.7
173.09647	1.3
177.00679	2.1
177.06973	2.0
181.06429	4.6
181.10144	1.3
181.12346	1.5
183.04373	2.0
183.08008	2.0
184.05212	11.4
184.08948	1.4
185.06061	5.2
185.09615	10.0
185.13226	2.0
186.05545	2.4
187.03914	2.3
187.07515	1.3
195.04428	1.2
195.08072	13.6
195.11636	1.8
197.05951	5.0
197.09682	1.1
198.06798	4.8
199.03906	6.5
199.07555	23.7
205.12340	1.2
205.19446	1.5
212.04709	7.0
212.08275	1.7
213.05489	3.9
213.09131	11.1
217.07314	1.2
223.05621	1.5
223.07494	5.7
223.13219	6.1
223.17064	1.6
226.06238	4.7
241.05072	11.8
241.08607	84.9
241.12170	12.6
241.14110	2.0
241.15956	3.4
241.19594	8.7
241.21735	2.7
242.08734	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	241.0858
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
51.02375	2.6
52.77769	1.1
53.03944	14.6
55.01871	6.6
55.05515	8.8
56.96556	2.8
57.03417	3.8
57.07048	3.4
58.63535	1.0
63.02349	1.7
64.75355	1.1
65.03931	5.6
67.05504	33.3
69.03422	2.6
69.07065	6.9
70.70243	3.5
71.04970	2.2
75.02675	1.5
75.05417	1.1
76.49313	1.0
77.03928	5.9
78.04697	3.1
79.05491	74.1
80.06262	3.6
81.03427	7.4
81.07059	9.8
83.04975	12.8
83.08601	3.6
85.02874	1.6
85.06541	2.6
89.03915	54.4
91.05473	5.1
93.03706	4.7
93.07071	5.7
95.04964	50.0
95.05577	2.0
95.08609	7.0
96.05737	3.6
97.06510	2.1
97.10165	2.4
97.87228	1.1
98.97578	2.1
99.04421	1.1
99.08065	1.4
103.05457	4.8
105.03372	4.9
105.04506	5.9
105.07011	2.2
106.04174	4.1
107.04950	8.2
107.08575	2.7
109.10146	5.3
111.08076	1.1
115.05475	6.0
116.98628	2.3
117.03376	36.5
117.07032	1.5
118.04121	1.3
119.04938	1.3
119.08554	1.7
121.10136	4.9
123.11707	2.1
125.09640	1.6
125.14037	1.2
128.06215	8.3
129.06989	8.5
131.04921	7.2
131.08548	2.8
133.02858	10.4
133.10089	1.7
134.03625	23.9
135.04411	53.5
135.11618	1.8
141.06972	6.5
142.07802	8.2
143.04898	3.9
143.08592	3.6
144.05705	2.4
145.02844	36.9
145.06471	2.9
145.10124	1.8
146.03542	3.1
147.04341	5.6
147.11662	1.2
149.13228	1.2
152.06187	11.7
153.07007	5.3
154.07806	1.9
155.04893	3.2
155.08501	1.6
156.05682	8.1
157.04016	1.4
157.06467	6.4
157.10114	7.0
158.99593	1.6
159.04434	11.0
159.11662	1.7
161.02322	4.8
162.03113	4.9
163.03900	100.0
165.07001	6.5
166.07693	1.8
167.08559	13.7
169.06494	7.3
169.10181	2.1
170.07269	5.3
171.04373	4.5
171.08064	4.2
171.11662	2.6
173.02376	2.1
176.06133	1.4
177.00726	1.8
177.06923	1.5
181.06483	3.3
183.04449	1.2
183.08017	1.9
184.05176	13.0
185.05943	5.0
185.09639	8.5
185.13254	1.3
186.05412	1.5
187.03914	3.0
195.08043	15.8
195.11742	1.2
197.05957	7.0
198.06686	6.1
199.03920	7.5
199.07535	20.4
199.14844	1.3
200.04613	1.2
212.04741	3.5
212.08147	1.7
213.05457	1.1
213.09097	8.9
223.07495	4.3
226.06236	4.2
241.08586	84.6
241.12149	11.5
241.15883	3.0
241.19495	8.7
241.21689	3.2
246.80231	1.1
254.21487	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	241.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.01866	1.8
55.05509	4.6
58.30509	1.2
59.05000	5.2
62.22163	1.3
67.02784	1.2
67.05508	9.1
69.03427	3.0
69.07066	2.3
69.73714	6.5
70.06614	1.4
71.01360	1.4
71.04998	8.4
79.05493	25.2
81.03406	2.9
81.07055	7.9
82.06602	1.7
83.04982	5.9
83.08632	2.2
85.02916	2.2
85.06551	1.3
87.04491	1.7
90.57697	1.2
91.05476	6.2
93.03723	5.4
93.07037	11.5
94.04202	1.4
95.04970	17.6
95.08578	3.4
97.02891	1.7
97.06524	2.9
98.97598	3.3
99.04486	1.3
99.73730	1.2
101.65583	1.3
103.05460	8.4
105.03352	1.4
105.07042	4.0
107.00445	1.2
107.04958	41.1
107.08597	2.3
109.02879	100.0
109.06525	9.9
109.10181	2.2
111.04439	5.1
111.08113	2.2
114.58865	1.3
116.98622	2.8
119.04895	1.6
119.08571	1.7
121.06513	13.1
121.10138	2.7
123.04433	10.4
123.08076	3.6
125.06000	2.0
125.09620	1.7
129.05344	1.1
129.09207	1.2
131.04965	2.6
134.99680	1.2
135.04422	2.6
135.08038	1.5
137.06003	2.5
137.09634	1.7
139.03896	32.9
139.07565	5.5
139.11217	1.9
141.05469	3.4
147.04492	2.1
149.05966	18.1
149.09633	1.6
151.03905	11.3
157.04980	3.4
159.04306	2.6
163.07542	2.7
165.05482	30.6
165.09163	1.7
167.07021	8.1
171.06500	3.4
177.00737	2.0
177.03897	2.5
177.05466	43.9
178.05840	1.5
179.10728	1.5
180.07343	1.6
181.04980	2.8
181.08595	2.8
183.06699	2.1
195.06517	4.6
195.14960	2.0
209.08073	9.0
223.13275	2.3
237.28769	1.4
241.05060	1.5
241.08667	3.8
241.19482	1.5
241.21657	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	241.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01870	2.5
55.05508	4.1
56.96553	1.0
57.07079	1.1
59.05009	5.7
62.56734	1.0
65.03926	1.5
67.05508	9.3
69.03420	2.8
69.07069	2.0
70.05673	3.4
70.06085	2.2
71.01348	2.2
71.04990	8.2
75.02692	1.0
79.05493	24.0
81.03420	3.1
81.07058	6.5
83.04984	5.6
83.08610	1.1
85.02892	1.6
85.06544	2.2
87.04454	2.3
90.74407	0.9
91.05483	6.4
93.03718	1.8
93.07065	7.3
94.04177	1.3
95.04395	1.5
95.04974	18.4
95.08579	2.5
97.02908	2.0
97.06516	1.5
98.97604	1.6
103.05471	6.7
105.04499	1.3
105.06978	1.3
107.04960	47.4
107.08585	2.3
109.02878	100.0
109.06532	8.9
109.10149	2.7
111.04446	7.0
111.08132	2.1
115.05468	1.6
119.08565	1.1
121.06507	15.7
121.10149	2.0
123.04431	9.0
125.02346	1.8
125.06005	1.1
125.09595	1.1
131.04922	4.5
133.02806	1.9
135.04407	3.1
135.11726	1.5
137.05951	2.7
139.03897	35.3
139.04941	2.1
139.07538	3.7
141.05447	2.4
142.88271	1.1
147.04419	1.1
149.05971	16.1
149.09520	1.5
151.02754	1.7
151.03899	14.5
153.05470	1.3
157.04955	3.7
159.04448	2.2
163.07541	2.7
165.05484	39.4
167.03430	1.7
167.07056	6.2
167.08340	1.2
171.06543	2.6
173.28418	1.0
177.05473	49.5
181.04950	1.7
181.08543	2.3
191.07040	2.4
195.06519	3.8
209.08052	10.2
223.13277	1.4
241.08618	2.4
241.21703	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	241.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01868	2.8
55.05505	3.2
56.96565	1.3
57.07074	1.2
59.04994	4.7
63.98579	1.2
65.03939	1.3
67.05507	9.9
69.03427	3.0
69.07052	2.5
71.01329	3.0
71.01670	1.9
71.04991	10.3
73.59917	1.1
75.02652	1.1
78.91843	1.1
79.05493	23.5
81.03426	3.9
81.07063	7.2
83.04968	5.8
83.08627	2.2
83.17764	1.2
85.06566	1.5
87.04465	2.7
91.05488	8.0
93.03735	2.8
93.07057	8.4
94.04195	1.2
95.04973	16.9
95.08605	3.8
97.02872	1.4
97.06547	2.4
97.10242	1.2
98.97588	1.6
103.03832	1.1
103.05468	7.6
105.03395	1.7
105.04504	1.3
105.07037	3.9
107.04958	44.8
107.08594	2.5
107.93175	1.2
109.02879	100.0
109.06515	9.4
109.10153	1.9
111.04470	5.2
111.08104	3.5
114.80276	1.0
115.05385	1.0
119.08582	1.2
121.06505	16.9
121.10150	4.6
123.04436	8.4
125.02377	1.6
125.06024	1.4
128.10727	1.2
130.15477	1.1
131.04959	4.5
135.04431	3.1
135.07983	1.2
135.11691	2.5
137.06000	3.2
139.02841	1.8
139.03906	32.5
139.07561	5.1
141.05479	4.0
141.11490	1.4
145.10088	1.6
149.05971	19.0
151.03915	14.2
152.06291	1.2
157.04973	3.5
157.46597	1.2
159.04459	2.3
163.11237	1.5
163.82182	1.1
165.05487	34.2
167.07051	8.3
171.06595	2.1
171.11707	1.3
177.05470	47.9
177.12701	1.4
177.45691	1.0
181.04985	1.3
181.08658	1.5
181.12259	1.8
191.07100	2.6
195.06516	4.3
195.08154	2.2
199.17986	1.3
209.08101	8.1
223.13242	1.7
241.08521	6.6
241.12373	2.7
241.19547	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	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.05509	0.4
56.96561	0.5
57.03431	0.4
57.07064	0.3
58.06600	19.7
61.02914	0.3
66.03641	0.2
66.14184	0.2
67.05495	0.5
69.03411	0.3
69.07050	0.2
70.06586	3.2
71.04986	0.4
71.11995	0.4
72.08153	0.3
73.02889	0.2
75.74341	0.2
79.05470	0.2
81.03400	0.6
81.07057	0.4
83.08610	0.3
84.08141	9.8
84.89725	0.2
85.02870	0.4
85.06525	0.7
93.03709	0.4
96.08124	0.3
97.02899	0.3
98.06045	0.6
98.09698	1.4
98.97556	0.3
100.07604	0.6
100.11239	0.5
100.63362	0.2
105.93784	0.2
114.05499	0.5
116.07083	0.4
116.10722	0.2
119.01897	0.2
123.52863	0.2
124.07572	0.5
126.05511	0.3
126.09223	0.2
128.10710	4.2
131.01883	0.4
144.10216	1.5
145.03493	0.3
157.01360	0.2
158.08118	0.4
168.10190	1.0
189.03944	0.5
196.07993	0.4
196.09703	5.7
202.16333	0.2
205.13373	0.9
213.15953	0.5
223.14427	1.1
224.12842	0.6
241.15460	100.0
242.15770	2.1
244.78935	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	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05506	0.3
56.96564	0.6
57.07071	0.4
58.06601	18.2
61.02903	0.6
61.87389	0.3
63.77497	0.2
65.26105	0.2
67.05511	0.3
69.03422	1.0
70.06591	3.0
71.04966	0.5
71.48578	0.4
72.08144	0.3
73.02904	0.4
79.93370	0.2
80.05003	0.9
80.05447	0.3
81.03409	0.8
84.07649	0.5
84.08142	9.9
85.02913	1.3
85.06518	0.5
96.08119	1.0
97.02873	1.1
98.06013	0.3
98.09677	1.4
98.97562	0.9
100.07623	1.5
109.02847	0.3
110.97566	0.4
114.05537	0.4
116.07088	0.5
116.98605	0.6
119.01871	0.9
124.07574	0.6
126.05492	0.3
126.09156	0.2
127.03882	0.4
128.10721	4.2
131.01884	0.5
133.03439	0.3
143.01874	0.3
144.10201	1.3
152.10655	0.4
155.01976	0.3
157.03461	0.6
158.08208	0.3
158.99646	0.6
160.04672	0.3
161.04626	0.6
164.06265	0.2
168.10191	1.1
169.05287	0.9
175.04514	0.4
177.00677	0.7
185.02960	0.3
196.09695	5.4
196.11496	0.3
205.13387	2.5
213.15984	0.5
219.01799	0.6
223.14418	3.9
224.12810	1.0
241.15466	100.0
242.15793	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	242.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
53.07460	0.9
55.01860	3.7
55.05508	2.1
56.05035	1.4
56.94307	1.7
56.96566	14.0
57.03201	0.9
57.03443	10.3
57.07067	1.8
58.06600	13.0
59.06921	3.6
61.02927	9.4
62.28613	0.8
67.05512	1.1
69.03420	3.3
70.06582	3.8
71.01353	2.8
71.04992	2.4
71.49066	1.9
72.93784	3.9
73.02924	8.0
74.97610	1.3
80.05019	11.3
81.03410	2.5
83.06100	27.1
84.04508	2.7
84.08134	6.5
84.96033	1.4
85.02892	8.5
85.08472	3.7
86.09715	5.0
86.97411	1.0
87.04454	5.6
89.02381	3.0
90.94833	1.7
93.03716	1.4
96.08097	1.0
97.02896	4.6
98.97572	7.7
100.02518	1.6
101.02393	8.7
103.03926	1.6
109.02897	1.3
110.01291	1.3
110.06047	2.1
112.03725	1.3
113.02364	2.1
113.96398	3.3
115.03919	16.3
116.98617	7.1
118.03552	1.6
119.01904	5.0
121.03444	1.1
122.06106	1.1
125.85989	1.0
127.03954	2.8
128.02357	2.3
128.10719	2.2
128.98584	2.2
129.01840	9.8
129.11084	1.2
130.95412	1.1
131.01869	1.2
131.97478	2.1
132.10292	1.8
133.03468	2.1
133.05013	1.9
134.99675	4.1
137.02864	1.3
140.07162	1.3
142.01979	1.1
143.03429	7.4
144.10237	1.4
144.99849	1.3
146.99640	4.7
147.02942	1.4
148.03781	2.1
148.04788	1.6
150.01874	1.2
150.96956	1.3
151.04546	1.6
156.03574	2.0
157.01341	15.5
157.02550	1.8
158.99675	1.8
160.97612	1.7
161.01279	1.6
161.03172	1.6
161.04457	6.6
161.05571	1.8
162.99129	1.4
165.00769	2.7
168.06502	1.4
172.99461	1.3
173.01222	1.3
173.03052	1.1
175.02481	2.6
177.00783	2.4
177.02364	1.9
189.00804	1.4
189.03940	41.2
191.00455	2.7
191.02203	1.9
191.97137	1.2
193.00119	1.3
196.00981	3.1
196.06053	1.8
196.09747	2.9
196.14513	3.4
197.10062	4.1
201.00743	2.6
202.98689	1.1
206.13745	1.5
212.02376	1.3
213.03490	1.8
214.01942	1.5
219.01840	4.5
224.09065	1.6
224.14749	2.4
227.95914	1.5
230.98018	1.1
237.02899	3.3
242.06253	1.6
242.10129	18.1
242.15796	100.0
242.24519	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	243.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07785	0.1
56.96566	1.4
69.78825	0.5
71.95264	0.1
82.99860	0.2
83.19276	0.1
84.96043	0.1
98.20745	0.1
98.97581	4.4
99.96170	0.1
101.00879	1.3
116.98616	4.9
118.98213	0.2
119.01919	13.9
120.01978	0.3
122.97832	0.2
134.99663	5.0
135.99991	0.2
136.99257	0.1
137.02948	5.6
140.98827	0.4
142.03490	0.3
153.00798	1.4
156.97488	0.2
158.01288	0.1
158.99878	0.9
165.99649	0.2
174.98546	0.2
175.02983	0.4
176.02457	0.2
177.00948	25.8
178.01047	1.3
179.01422	0.2
179.99080	0.1
182.99734	0.5
190.95399	0.3
193.00919	0.1
193.04018	0.5
195.01993	0.7
197.00584	0.3
197.03038	0.1
198.00104	0.2
200.02559	0.4
201.00880	1.2
201.02448	0.2
202.01010	0.2
208.96436	0.2
211.38184	0.1
215.01706	0.3
217.04092	3.3
218.01387	0.1
218.03496	0.6
219.02000	30.7
220.02124	3.0
220.08289	0.1
221.01962	0.5
225.00830	2.0
225.02773	0.1
234.00456	0.2
238.03325	0.2
242.03699	0.6
243.01950	6.8
244.02098	0.3
260.04614	0.1
261.03046	100.0
262.03192	2.8
263.03500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1592
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
53.03936	5.3
55.01860	5.0
55.05509	29.1
56.96572	7.5
57.03424	5.0
57.07056	2.2
59.04988	3.5
62.56630	1.3
64.83273	1.3
65.03940	2.4
67.05505	35.7
68.99773	2.1
69.03419	3.4
69.07074	15.4
71.01340	3.1
71.04998	12.5
71.49771	2.1
73.06532	1.3
74.41756	1.3
74.53739	1.8
75.26904	1.3
79.05496	19.8
81.03420	9.8
81.07056	43.9
83.04973	9.7
83.08610	5.8
85.02906	2.8
85.06555	8.9
87.04453	3.7
91.05482	21.7
93.07052	16.6
95.04971	9.7
95.08609	25.7
97.02845	1.6
97.06521	14.7
97.10151	1.8
99.04475	1.6
99.08138	2.0
101.06017	1.9
105.03368	2.0
105.07036	26.8
107.04971	1.6
107.08583	11.3
109.06516	10.7
109.10123	5.8
111.04469	3.0
111.08064	5.8
113.06014	5.1
115.05442	1.3
117.07016	4.8
119.04977	1.4
119.08585	20.4
121.06453	1.7
121.10155	9.3
123.08087	6.7
123.11708	4.4
128.06219	3.1
128.98595	1.8
129.06987	6.1
131.08568	8.0
133.06470	2.1
133.10149	13.9
134.99640	1.9
135.07997	2.7
135.11694	2.9
137.09563	2.0
141.06947	3.3
142.07777	2.6
143.08505	2.9
145.10098	5.8
147.08026	2.7
147.11673	27.3
149.01335	1.4
149.09644	4.0
151.11218	3.6
152.06090	1.3
155.08577	3.3
157.10121	8.1
159.08060	1.7
159.11673	4.6
161.01241	3.6
165.12779	3.9
167.08521	1.6
168.09299	1.5
169.05031	1.3
169.06427	2.2
169.10110	3.5
171.11736	1.5
173.09691	2.2
173.13287	3.4
175.11194	5.0
179.14293	3.4
183.11703	3.4
185.09633	2.1
187.07520	2.0
187.11176	3.5
193.12265	4.0
197.05992	2.9
197.13536	2.7
197.15356	29.1
201.08977	2.0
207.13858	2.6
211.13295	3.5
213.09077	2.0
215.07037	2.0
225.14841	100.0
231.05801	1.8
243.04344	3.0
243.06519	3.0
243.10027	8.3
243.13600	8.5
243.17589	9.9
243.21135	7.6
259.09772	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	244.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97892	0.4
53.03933	0.6
55.01862	0.8
56.96566	13.0
56.96853	0.7
57.03439	3.7
58.20087	0.4
59.04984	0.6
61.02655	0.8
61.02930	8.2
67.05510	0.8
69.03151	0.4
69.03434	4.5
69.04570	0.5
70.06599	4.1
70.25549	2.1
70.98117	0.9
71.04985	1.3
72.08154	6.9
73.02930	3.7
74.97594	0.9
77.00894	0.8
80.05035	0.7
81.03414	2.1
83.04990	0.5
84.04492	2.3
84.08139	5.3
84.96030	1.2
85.02907	7.8
85.06534	0.5
86.03271	0.8
86.09698	1.8
87.04458	1.0
87.10039	0.6
91.02354	2.4
94.04019	0.4
95.01942	0.5
95.02452	2.4
96.04539	0.5
97.02897	8.0
97.06523	1.6
98.01302	0.7
98.97586	7.3
99.04453	1.0
100.02860	1.6
100.07649	2.3
100.99146	2.0
101.00855	1.6
103.02335	0.5
105.02096	0.9
106.01048	0.5
109.02254	0.7
109.02909	1.5
110.01262	0.7
110.03111	0.7
110.97539	0.8
111.02087	0.8
112.05090	100.0
113.00855	0.6
113.02420	0.7
113.03510	0.7
115.02395	0.8
115.03937	0.6
116.03127	0.5
116.07093	1.2
116.98616	5.9
117.02068	0.7
118.01029	0.9
118.02842	1.7
118.41898	0.5
119.00149	1.2
119.01903	7.7
119.03598	0.7
120.00623	0.4
123.07932	0.7
124.02845	1.3
125.03596	1.3
126.02617	0.7
127.01546	0.6
127.04035	2.3
128.98590	1.8
129.10255	0.9
130.05032	0.7
131.00179	1.1
131.01932	2.7
132.03441	0.5
133.01665	0.5
133.03435	2.3
134.99608	2.3
137.01218	0.7
137.02954	0.9
140.07101	0.6
141.01300	1.7
141.03098	3.4
142.96504	1.1
143.00188	0.6
143.01880	1.1
143.02901	1.1
145.01720	2.1
145.03395	2.6
146.02232	0.6
146.99648	1.9
147.03119	0.6
147.11281	0.7
148.03880	0.9
149.01236	1.3
149.02873	1.0
150.01788	5.7
150.03584	2.3
152.02301	0.7
153.55852	0.7
154.03731	5.2
154.04785	1.8
154.08688	0.5
154.53926	0.6
155.00609	0.7
155.01904	3.3
156.01048	1.0
156.03633	3.0
156.04813	0.6
157.03485	1.8
158.08131	0.9
158.99643	1.6
159.02336	0.6
160.97560	1.2
161.01221	1.0
161.02971	1.5
162.05547	0.6
162.56543	0.6
162.99117	0.7
163.02814	7.1
163.04405	29.9
163.54579	2.1
165.00774	1.0
167.02116	0.6
169.04402	0.8
170.96150	0.6
170.99648	0.7
172.04913	0.5
173.01314	0.7
173.02960	6.3
174.01677	0.5
174.55225	2.1
174.99094	0.5
175.00841	0.8
175.02654	0.5
177.00725	1.6
178.01051	0.6
178.04967	0.6
178.55159	0.5
179.02078	0.4
180.10153	0.6
180.42386	0.4
181.03848	2.9
181.05336	0.7
182.03407	0.6
184.01256	0.6
185.02950	2.3
187.02774	0.6
187.04451	0.7
188.97070	2.8
189.00668	1.0
191.02260	1.0
191.03845	0.8
192.04645	0.5
193.00208	1.8
196.01190	0.5
197.02948	1.0
198.02327	0.9
198.07214	0.5
198.11374	0.6
198.13245	0.6
201.00754	0.8
202.98605	1.0
203.02119	0.9
203.03995	1.3
205.00179	0.6
205.01909	0.7
205.03722	1.2
205.05638	1.6
206.98116	2.3
214.05867	0.6
219.01709	1.1
220.99648	0.9
221.03288	0.6
221.05086	5.1
222.39258	0.5
223.01260	0.6
226.02255	0.7
226.07219	0.6
226.14331	1.1
227.13902	1.1
228.05669	1.0
235.04622	0.8
235.06526	3.7
237.02861	1.4
239.06133	5.1
244.02718	1.0
244.07732	7.7
244.11838	1.4
244.15634	1.9
245.05154	1.0
262.07803	1.1
263.00684	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	244.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
56.96314	0.8
56.96566	10.9
57.03440	2.7
61.02930	6.7
69.03424	4.2
69.04550	1.4
69.72896	3.1
70.06595	3.3
70.98115	1.1
71.04991	0.7
71.95258	0.8
72.08148	5.4
73.02928	3.2
73.03259	0.5
76.75479	0.5
81.03416	1.1
83.00766	0.5
83.06112	0.6
84.04485	1.9
84.08149	4.2
84.96047	0.8
85.02902	6.4
85.04838	0.6
86.02039	0.5
86.09704	2.1
87.04446	1.6
89.00777	0.6
91.02351	0.6
95.02471	2.1
95.04972	0.6
97.02880	4.2
97.06551	1.4
98.01293	1.2
98.03179	0.6
98.97578	6.5
99.04493	0.5
100.02837	1.0
100.07615	2.1
100.99150	1.3
101.00885	1.1
101.02371	0.6
109.02847	0.7
110.09672	0.5
110.97561	0.8
111.02029	0.7
112.05088	100.0
115.02439	0.7
116.07115	0.6
116.98637	4.2
118.01080	0.7
118.02834	1.3
119.00150	0.7
119.01888	5.7
123.07941	1.6
125.03609	0.5
127.03901	1.5
128.02332	1.1
128.98596	1.1
129.10274	0.6
131.00154	0.8
131.01897	1.8
132.00777	0.7
133.03458	1.4
134.02304	0.8
134.99666	2.2
137.02940	1.1
138.09178	0.8
141.01274	1.4
141.03075	1.4
142.96552	1.1
143.00235	0.5
143.01880	1.1
143.02910	0.8
145.01709	2.1
145.03461	1.9
145.04774	0.5
146.99652	1.5
147.03017	0.9
148.03882	0.7
149.01228	1.3
149.02924	1.3
150.01788	5.2
150.03638	1.4
154.03871	1.9
154.08687	0.6
155.00403	0.9
155.01906	1.4
156.03596	2.1
157.03482	1.3
158.99632	1.1
159.02339	0.7
160.97539	1.1
161.01208	0.7
161.02954	1.9
162.06552	0.7
163.02809	4.5
163.04411	16.3
163.54520	0.6
165.00702	0.9
167.02219	0.6
170.05191	0.8
170.95967	0.7
172.04927	0.9
173.02936	3.6
174.99136	1.0
177.00737	1.0
178.04976	1.1
179.02234	0.6
181.03944	2.2
184.01312	1.4
185.02982	0.9
188.97073	3.0
189.00659	1.0
190.98624	0.6
191.02159	1.2
191.03761	0.7
193.00203	1.7
194.64659	0.5
198.02370	1.5
203.02234	0.9
203.04041	1.2
205.00165	0.6
205.01846	1.5
205.03740	0.8
206.98116	2.4
207.74405	0.6
219.01802	1.2
220.99660	1.0
221.03232	0.9
221.05048	2.8
226.02330	0.7
226.06898	0.7
226.10905	0.5
226.14391	0.7
235.02934	0.8
235.06538	2.6
237.02635	1.0
238.45020	0.5
239.06189	3.7
244.02719	2.5
244.07669	4.4
244.11874	1.9
244.15608	1.0
245.05199	0.9
262.07895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0927
Annotation	Cytosine arabinoside
Peak:m/z	Relative Intensity
56.96566	5.7
57.03433	0.8
61.02910	0.8
68.70143	0.3
69.03421	1.4
69.04539	1.2
69.97704	2.0
69.98002	0.7
70.06578	1.5
70.98081	0.3
71.04993	0.8
71.95259	0.6
72.08150	6.7
72.42709	0.3
73.02908	0.9
74.97602	0.4
81.03421	0.4
84.08138	2.8
84.96010	0.5
85.02912	2.1
86.09698	0.8
95.02444	2.6
97.02897	1.2
98.97585	4.0
100.07620	2.1
110.09692	0.5
112.05088	100.0
113.03474	1.3
114.63999	0.4
116.98624	2.3
119.00254	0.5
119.01876	0.5
123.07926	0.4
124.95453	0.5
127.03912	0.4
128.98619	0.4
129.10239	0.7
131.00183	0.9
134.99661	1.0
141.03012	0.5
142.96567	0.7
149.01241	0.5
150.03534	0.7
152.05669	3.3
154.03976	0.5
158.08141	1.0
158.99660	0.4
160.97636	0.7
163.02843	1.2
163.04398	3.9
163.54404	0.5
173.03003	0.4
177.00790	0.6
178.04910	2.5
178.55077	0.4
180.13812	0.4
188.97063	2.7
191.02428	0.4
205.01225	0.5
206.98106	1.9
208.01561	0.5
226.14421	1.1
227.13881	0.7
237.02821	0.8
244.05011	0.4
244.07220	0.8
244.09439	0.5
244.13147	0.7
244.15652	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	245.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	2.1
53.03941	2.7
55.01861	8.5
55.05245	4.3
55.05510	85.3
55.90465	1.9
57.03164	2.5
57.03436	34.7
57.07062	3.0
59.05007	3.5
67.05500	25.3
68.20625	1.8
69.03419	8.5
69.07072	14.4
71.50266	2.4
72.95950	2.0
79.05495	23.9
81.07065	23.2
83.04982	3.2
83.08622	48.5
91.05495	12.1
93.07049	12.7
95.08591	6.1
97.10167	100.0
105.07030	7.6
107.08587	23.7
109.10141	7.2
109.14859	2.0
111.08058	3.7
117.07011	4.4
119.08594	5.2
121.10117	4.0
124.85719	1.8
125.09633	89.8
131.08578	2.9
133.10135	6.1
135.08029	8.7
135.11668	2.8
143.10670	7.6
145.10164	3.0
147.11699	3.8
149.93364	1.9
153.09106	4.7
156.50697	1.8
161.13268	5.6
171.10129	5.8
175.14816	3.4
189.11220	86.1
193.13373	2.0
208.94244	2.0
245.13797	56.4
245.19008	6.4
245.22621	17.7
257.68680	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	245.1859
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
55.57474	0.3
56.05032	0.3
57.05824	0.6
65.21954	0.3
69.07070	11.3
69.56857	1.5
69.57284	0.9
71.93602	0.3
72.14554	0.3
85.75610	0.3
86.09706	100.0
87.10035	0.6
132.10211	1.8
189.04324	0.6
199.18048	0.7
245.16243	0.5
245.18582	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	245.186
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
50.53320	0.2
52.74208	0.3
54.71071	0.3
55.05523	0.3
56.96548	0.3
57.56094	0.2
67.05479	0.3
69.03434	0.3
69.07043	0.3
70.06589	0.7
70.54144	0.9
70.89767	0.3
72.92189	0.3
73.02908	0.3
79.05479	0.3
81.07060	0.4
83.04975	0.4
84.08178	0.3
86.09709	100.0
87.10052	0.7
88.79971	0.2
91.05482	0.8
98.97613	0.4
101.26609	0.3
105.07030	0.4
110.47882	0.2
124.07610	0.3
128.98615	0.4
129.07042	0.4
132.10207	3.5
142.03192	0.3
157.10118	0.4
171.11774	0.4
199.11241	0.6
199.18082	1.9
218.02887	0.3
221.03438	0.3
222.29547	0.2
227.08557	0.9
245.08046	0.6
245.11769	0.9
245.18651	3.9
246.07574	0.4
263.41641	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	246.1449
Annotation	H-Leu-Asn-OH
Peak:m/z	Relative Intensity
55.05503	4.1
55.08912	1.3
56.05030	1.9
56.96556	7.1
57.07078	1.6
59.68280	1.5
60.08163	1.6
67.05483	1.9
69.03429	1.9
69.07072	63.2
70.02954	16.6
70.06580	5.8
71.07233	4.7
72.04485	1.7
72.08151	17.0
73.02903	4.4
73.06545	3.1
76.85726	1.9
79.05486	2.1
80.01363	2.4
81.07056	3.8
82.02912	2.3
83.69593	1.5
84.04522	11.7
84.08145	23.0
85.02901	4.9
85.04029	20.1
85.18434	1.6
86.09709	71.2
87.05592	82.2
88.03985	5.8
93.07034	2.5
95.04940	1.9
96.04488	2.2
96.08121	3.8
97.06519	10.3
98.02422	25.7
98.97592	2.7
99.05556	2.0
100.07613	2.6
103.05470	4.2
110.02404	75.3
110.09703	1.8
112.07535	1.8
113.03526	2.0
113.10771	57.5
114.05518	3.6
116.98634	2.6
118.06496	2.1
119.01929	2.0
120.08113	32.7
120.25887	1.5
122.06007	1.9
124.03960	14.2
124.07562	5.0
130.04976	5.6
130.06525	2.2
132.08116	2.9
132.10194	22.1
134.99678	1.9
138.09117	6.2
140.07106	2.0
141.10228	100.0
142.05026	2.0
143.07326	2.5
143.11763	4.6
144.08058	2.9
148.06091	1.7
154.12219	2.1
155.11800	8.4
156.08072	4.1
156.10114	3.1
156.13820	6.6
160.07539	3.6
166.08646	91.9
167.08965	2.0
168.06540	4.1
169.09673	8.4
172.07597	3.4
182.11719	4.1
183.11334	10.8
184.07661	2.0
186.09189	1.9
187.10789	73.4
188.07008	7.1
200.07187	2.3
200.14009	27.6
201.12401	2.7
202.08739	3.5
202.10727	9.1
202.14430	2.4
205.01950	1.9
211.10773	9.5
212.09184	99.0
228.13408	5.1
229.11818	42.6
230.08110	14.4
246.05392	1.7
246.07655	3.7
246.11208	3.7
246.13963	5.3
246.14398	5.4
246.18228	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	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64545	0.9
70.11087	3.6
72.08150	5.7
84.04488	1.0
86.09715	2.3
103.94283	0.9
104.10747	4.8
114.69711	1.1
119.01920	4.0
131.01869	1.2
141.05794	0.9
145.03403	1.6
157.46584	0.9
167.69363	0.9
175.02820	1.0
229.03191	25.1
247.04253	100.0
247.07895	51.6
268.74396	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	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88805	0.9
70.20049	3.9
72.08155	4.3
86.09677	2.4
119.01863	1.5
124.57272	1.0
132.10129	1.7
169.01057	1.3
201.12337	1.3
229.03183	30.3
247.04248	100.0
248.04732	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16642	2.8
53.03943	3.2
55.01865	8.0
55.05503	12.2
56.05053	2.6
56.96567	15.2
57.03441	12.7
57.07074	8.4
60.14762	3.1
61.02939	12.4
62.64677	2.5
67.05505	16.7
67.12755	2.8
69.03428	47.3
69.07066	14.8
70.02942	3.0
70.06591	6.1
70.95667	5.7
70.96011	3.6
71.01337	3.9
71.04992	9.3
72.08160	58.7
73.02915	13.3
75.43054	2.4
79.05490	10.3
81.03421	20.6
81.07056	13.3
83.04980	18.4
84.04513	34.9
84.08141	8.1
85.02907	100.0
85.06547	72.8
85.07651	7.2
86.09711	69.6
87.04491	5.0
87.10001	3.3
88.03996	37.0
88.07638	7.9
90.94839	3.0
91.03941	8.3
91.05491	11.5
93.07047	11.6
95.04984	17.6
95.08604	11.1
96.04507	3.6
97.02898	24.5
97.06521	13.6
98.97586	5.6
99.04446	9.3
101.02399	4.4
102.05585	3.9
103.03938	4.9
105.07033	9.0
107.04956	5.2
107.08571	5.5
109.02885	8.8
109.06522	12.9
109.10126	4.7
110.02389	7.3
111.04435	5.7
111.08051	3.4
111.73270	2.7
113.06023	4.3
113.10761	6.3
116.98592	7.9
117.07029	4.7
118.08656	25.0
119.01855	3.9
119.08579	8.5
121.00836	4.0
121.01690	4.8
121.06440	6.4
121.10156	3.3
123.04449	3.3
123.08044	7.0
125.06015	8.0
127.03922	29.7
127.07516	2.9
128.98636	2.6
129.06953	2.8
130.05005	6.4
130.08713	3.4
132.10217	28.4
133.06531	5.0
134.99602	6.4
135.08057	8.6
135.11652	3.3
136.92856	2.9
137.06017	4.0
139.01820	7.8
139.07565	3.6
141.10194	14.0
145.04959	22.7
145.05986	2.7
145.06444	2.5
146.99664	2.8
147.08028	8.3
151.07570	5.2
156.10231	6.4
161.04576	3.8
163.01744	5.7
163.07532	8.7
166.08658	13.5
175.07559	2.8
177.00705	5.1
179.03600	2.7
184.09755	12.8
187.01822	4.2
187.10849	10.2
189.03394	9.4
190.04961	3.3
193.08525	5.8
201.12361	27.4
203.11240	2.9
211.09619	5.1
212.09190	8.5
217.76215	2.8
229.02977	3.2
229.11990	3.8
230.08252	4.3
230.10323	6.9
247.04324	11.7
247.07860	3.0
247.13211	16.2
247.16766	6.3
247.20567	3.5
247.24226	4.2
265.05069	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	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
52.90522	1.5
53.03940	3.5
55.05502	5.4
56.96549	2.5
57.07066	2.1
59.29971	1.4
61.12395	1.5
65.03919	3.9
67.05498	3.6
69.03428	21.0
69.26801	14.8
71.77846	1.5
79.05496	7.9
81.07056	8.5
83.04984	20.2
91.05481	30.2
93.03392	4.2
93.07047	9.3
95.04983	8.6
95.08595	2.7
97.02878	7.7
98.97562	2.8
105.07028	15.6
107.04935	3.6
107.08586	14.3
109.02887	12.6
109.06511	12.1
109.10146	3.0
111.04425	5.9
115.05429	4.3
116.06245	1.5
117.07038	11.1
117.07735	2.2
119.08592	15.6
121.02846	4.3
121.06507	18.1
121.10154	7.0
123.08045	2.8
128.06239	3.0
129.06987	5.8
130.07808	2.3
131.08548	17.9
132.05678	2.5
133.06519	1.5
133.10129	9.4
135.08058	26.8
137.05966	3.7
137.09563	3.7
139.03929	4.3
141.06989	3.3
142.07782	3.4
143.08559	11.6
144.09329	6.9
145.06477	11.8
145.10091	11.9
147.08115	4.0
149.06032	1.8
149.09637	21.2
150.10393	3.4
151.11160	4.4
152.06218	1.6
153.06950	2.7
153.09062	1.9
155.08534	6.2
157.10097	3.9
158.07291	2.6
158.10884	12.8
159.08034	13.3
159.11699	26.3
160.08858	2.9
161.09596	4.7
163.07544	19.5
163.11139	4.5
164.78992	1.8
167.08540	1.7
168.09340	5.3
169.10107	3.8
170.10902	4.3
171.08006	7.3
171.11700	1.9
172.08827	14.3
173.05902	2.1
173.09648	29.3
173.13240	30.4
175.11076	1.7
175.44759	1.5
177.09047	1.9
183.11650	10.3
185.09741	2.0
185.13240	2.4
186.10399	20.4
187.07567	3.8
187.11180	100.0
187.45947	1.5
189.09106	3.4
191.07021	40.1
196.08865	6.0
198.96906	1.9
201.12747	50.4
205.12250	5.1
211.11162	9.4
214.09961	3.9
219.13800	9.2
229.12221	63.9
244.28740	2.1
247.05202	4.5
247.13281	72.3
247.17001	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2055
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03941	1.7
54.04678	0.5
55.01863	2.6
55.05513	13.7
56.96555	3.4
57.03426	1.6
57.07068	3.1
60.45197	0.6
62.72136	0.6
65.03926	1.1
66.05453	0.5
67.05504	26.4
69.03420	1.3
69.07070	13.7
71.04981	1.9
71.50108	1.2
73.37346	0.6
79.05495	26.6
81.03432	0.8
81.07056	27.1
83.04992	3.6
83.08633	3.8
85.06542	1.5
91.05482	18.4
93.07045	33.2
95.04966	9.6
95.07996	1.0
95.08606	19.3
97.06513	3.4
97.10162	3.7
99.08096	1.1
104.99306	0.8
105.07030	13.6
106.72569	0.6
107.04955	6.7
107.08593	20.6
108.08912	0.6
109.06525	8.6
109.10156	8.7
111.08096	1.1
115.05452	0.7
117.07026	6.4
119.08577	11.7
121.06499	6.9
121.10140	17.6
123.08079	4.1
123.11706	4.8
125.09605	1.2
126.95351	0.5
129.07051	0.7
131.08562	9.9
132.98969	0.6
133.10135	10.6
135.08041	5.2
135.11700	11.6
137.09633	2.9
137.13193	0.7
139.11180	0.8
143.08571	0.9
145.06461	2.6
145.10130	8.7
147.11664	7.2
149.09627	5.5
149.13235	8.8
151.00977	0.6
151.11197	5.8
153.09154	0.6
159.08038	2.1
159.11679	5.4
161.09622	0.6
161.13300	3.9
163.11182	7.4
163.14789	2.0
165.12740	3.0
173.13254	4.8
175.14809	2.5
177.12762	3.9
177.16405	0.9
179.14290	1.3
187.11215	0.7
187.14789	3.2
189.16362	1.6
191.14345	4.7
200.17206	0.6
201.12758	0.9
201.16415	1.6
203.10828	0.6
203.18137	0.8
205.08601	1.0
205.15886	1.8
205.19508	1.4
219.21027	1.0
227.16235	0.7
229.19521	10.7
247.13342	1.9
247.17062	3.0
247.20572	100.0
248.07040	3.5
248.16801	0.7
248.20912	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	247.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01868	5.0
55.05516	23.9
56.96554	2.9
57.07081	3.9
58.66985	1.9
65.03939	2.3
66.59119	1.7
67.05504	31.6
69.03421	4.5
69.07071	28.5
69.81754	7.6
71.04978	4.5
71.08631	2.3
73.06544	2.0
79.05497	43.5
81.07060	31.8
83.04982	5.1
83.08609	7.6
85.06552	2.5
86.11353	1.5
87.69622	1.6
91.05484	29.0
93.07050	49.9
95.04965	12.7
95.08607	33.9
97.06521	5.2
97.10160	7.0
104.99273	6.4
105.07039	25.0
107.04971	11.9
107.08598	37.5
109.06528	9.5
109.10162	15.5
111.08080	2.4
117.07023	12.2
119.08583	22.2
120.33083	2.0
121.06506	12.6
121.10149	21.8
123.08051	4.5
123.11695	3.7
125.09586	1.6
129.06956	2.2
131.08568	15.0
133.10146	16.5
134.62589	1.7
135.08066	19.2
135.11714	21.3
137.13254	1.7
143.08571	1.9
145.10110	14.4
147.04460	1.7
147.11708	13.0
149.09621	7.1
149.12231	1.8
149.13239	10.9
151.11153	2.7
159.11702	14.8
161.09601	1.8
161.13237	7.8
163.11171	11.8
163.14799	3.9
165.12788	8.1
173.13292	10.9
175.03903	6.8
175.14836	5.6
177.09064	1.9
177.12755	7.2
179.14317	2.1
187.14870	3.9
189.16394	3.8
191.14342	8.3
201.16393	2.3
203.17992	2.8
205.15941	2.6
219.21072	2.9
229.16032	2.2
229.19534	16.0
229.90617	1.7
247.09955	1.7
247.13307	2.7
247.16914	5.1
247.20586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
50.76737	1.1
53.03944	2.2
53.04377	0.9
55.01863	1.2
55.05518	8.0
56.05347	1.0
56.96559	1.2
57.03427	1.7
57.07064	2.6
65.03903	1.1
65.40657	1.1
67.05508	20.7
69.07069	7.6
71.04990	1.9
71.50083	1.4
79.05495	21.1
81.07056	30.2
83.04977	2.1
83.08611	3.2
85.06561	1.1
91.05472	13.7
93.07044	29.0
95.04963	3.8
95.08603	23.1
97.06537	2.1
97.10175	2.1
98.98447	1.3
102.91920	1.0
104.99268	5.3
105.07034	16.6
107.08589	25.4
109.06499	6.3
109.10156	15.9
111.08038	1.3
117.07022	5.0
117.69688	1.1
119.08581	31.0
121.06509	1.5
121.10138	26.3
123.08051	3.3
123.11665	5.8
131.08571	10.8
133.10147	15.6
135.08029	1.4
135.11694	13.9
137.09669	2.3
143.08672	1.3
145.10136	12.2
147.11678	11.3
149.09573	1.0
149.13255	5.5
151.11162	1.5
159.11696	19.7
160.12349	1.1
161.13237	4.2
163.14839	1.9
171.11682	2.9
173.13261	21.4
175.14859	2.5
177.12723	1.5
185.13261	3.7
186.14027	15.8
187.14780	11.0
189.16338	2.5
191.14261	1.5
199.14810	27.1
200.15440	1.6
201.16447	2.1
214.17149	24.1
229.19513	100.0
230.19807	2.2
247.16895	4.1
247.20580	46.0
247.24319	1.9
248.20810	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	247.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01857	1.8
55.05512	20.4
55.27450	1.1
56.96558	2.1
57.03434	1.8
57.07057	3.8
61.29816	1.2
67.05507	47.0
69.03403	2.6
69.07065	17.3
69.84319	3.7
69.84730	4.1
71.01313	1.2
71.04988	2.2
77.03928	1.7
79.05495	87.6
81.07055	44.5
83.08600	5.9
85.06541	2.8
86.40984	1.2
91.05475	40.0
91.23222	1.4
93.07046	100.0
95.04958	11.1
95.08607	30.2
97.06525	3.0
97.10168	2.9
98.80426	1.3
98.98481	2.0
104.99252	5.5
105.04572	1.6
105.07032	27.4
107.04946	8.8
107.08591	54.6
109.06522	3.3
109.10156	16.9
110.10868	1.2
111.08083	1.5
117.07024	12.5
119.08583	21.3
121.06480	1.9
121.10146	45.8
121.38857	1.4
123.11668	3.7
129.06976	2.4
130.07835	1.4
131.08585	17.1
133.10124	17.9
135.08076	10.7
135.11693	55.3
136.18741	1.3
143.08540	2.2
145.10121	16.1
147.11671	16.5
149.09557	1.7
149.13263	14.5
151.09962	1.5
151.11194	1.3
159.11682	14.2
161.13268	6.8
163.11243	1.5
163.14856	2.5
165.12733	1.5
173.13283	11.8
175.14801	1.4
177.12724	1.6
187.14824	4.8
187.58156	1.5
199.77353	1.6
201.16422	4.1
229.15990	1.5
229.19522	14.1
247.13058	2.4
247.17001	6.3
247.20578	66.3
248.16473	1.4
248.20912	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	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31754	4.8
56.96572	13.0
69.03445	6.8
69.81428	33.6
73.02941	6.0
75.78719	5.2
83.81236	5.3
85.02919	8.4
94.93021	100.0
97.02840	7.4
98.97583	82.8
101.00880	10.3
103.02483	6.7
107.12624	4.9
116.98641	52.7
119.01929	47.5
128.98608	11.3
131.01883	11.3
133.03522	15.4
133.44386	5.2
134.99698	21.3
137.02957	10.0
145.03456	7.2
146.99684	6.3
147.01430	12.9
155.01920	12.3
156.59195	6.1
158.99718	27.6
161.02983	22.5
168.04524	6.1
173.02982	18.9
177.00729	49.7
177.02351	10.4
185.03105	8.0
189.00751	8.9
189.02408	12.1
206.88696	16.7
207.01730	8.6
225.02841	8.2
231.03474	6.3
248.89731	20.0
249.03691	67.4
249.08247	5.6
249.14500	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	249.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01537	0.4
55.01885	0.6
56.96569	4.9
58.73088	0.4
58.99851	0.9
61.66301	0.4
65.46507	0.5
69.82946	2.1
69.83356	1.0
77.00922	1.1
82.59651	0.6
82.99418	0.6
82.99870	1.7
84.96061	0.7
98.01094	0.4
98.20845	0.7
98.97585	4.6
101.00208	1.1
101.00880	22.3
103.02407	1.3
105.00334	0.5
113.00842	1.1
115.02401	0.9
116.98630	3.0
119.01923	100.0
120.02011	1.3
120.19733	0.5
121.02375	0.5
121.03440	0.9
123.56416	0.4
124.99151	0.6
127.02435	0.6
128.98608	0.8
131.01917	8.3
133.03427	0.9
134.99699	1.5
137.02957	28.5
142.03510	1.6
143.00197	2.3
143.01903	10.9
145.03468	11.0
146.99646	0.5
147.01407	1.3
149.02936	2.5
151.04604	0.6
156.98338	0.5
157.03467	2.9
158.99599	0.6
159.01416	7.2
161.01364	2.2
161.02956	51.9
162.03212	0.7
162.99205	0.6
163.04568	2.6
171.01364	3.9
173.01369	0.6
173.02956	2.5
175.04514	1.2
177.00984	0.9
177.02448	18.7
179.02625	0.6
179.03981	2.9
181.01138	0.5
184.04530	0.8
189.02441	40.0
190.02556	0.7
191.02374	0.9
191.03978	5.0
192.98849	0.6
195.03633	0.8
201.02461	5.3
203.04092	1.1
206.03256	0.5
207.01544	1.0
207.03513	20.5
214.00171	0.5
219.03523	7.5
224.97595	0.7
225.01863	1.5
227.02502	0.6
231.03542	2.1
234.02518	1.3
237.04756	0.7
246.02614	1.4
246.52742	1.1
249.02071	1.2
249.04587	18.5
255.03079	1.0
263.06152	0.5
267.05667	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	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
54.24152	0.5
55.01858	0.7
56.96537	0.5
57.03427	0.7
67.05486	1.3
69.03423	1.3
69.07056	0.7
71.49365	0.5
75.00050	0.4
75.43211	0.5
77.59299	0.4
79.05490	1.2
81.07011	0.8
83.58806	0.4
91.05484	8.5
93.07017	0.9
95.04953	1.0
95.08607	0.7
97.02885	0.8
97.06554	0.8
103.05449	1.7
105.07052	3.1
107.04954	1.9
107.08585	1.2
109.06515	0.5
111.70375	0.5
115.05437	5.1
116.06281	2.9
116.98639	0.4
117.07034	3.4
119.05000	0.5
119.08570	1.3
121.06464	0.6
121.10172	0.5
128.06230	9.3
129.07013	18.6
130.07768	1.1
131.04938	2.5
131.08566	17.3
132.05681	1.0
133.06535	3.6
133.07431	0.7
133.10124	2.1
135.08073	1.0
137.79312	0.5
137.85686	0.4
139.05421	0.8
141.06985	8.6
142.07788	3.4
143.04930	1.0
143.08569	3.8
144.05704	9.8
145.06488	6.6
145.10197	0.5
146.07280	3.6
147.04420	1.4
147.08026	1.2
149.09601	0.5
152.06233	1.1
153.07010	2.2
155.06017	1.3
156.05650	1.6
157.06482	8.4
157.07643	0.8
157.10103	0.5
158.07298	2.2
159.04411	1.0
159.08064	25.4
160.05132	1.3
161.06004	4.5
161.09616	7.4
163.07507	0.5
167.04745	0.6
167.07048	0.9
169.06407	1.2
169.07629	2.9
170.07281	7.6
171.04457	1.6
171.08078	6.8
172.05196	2.3
173.05968	4.1
174.06839	2.4
175.07535	3.2
177.05527	0.5
184.05208	0.6
185.06017	1.0
186.06816	0.7
187.07541	18.9
188.08257	1.4
189.05475	3.9
189.09111	8.6
189.12694	0.6
190.06227	1.4
191.06990	1.6
192.07758	0.5
193.08653	0.7
198.06775	2.0
199.07539	3.2
201.05463	1.7
203.07045	5.6
203.10762	0.6
203.14307	0.6
204.07852	13.2
205.08572	1.7
206.09450	1.3
216.07848	4.3
217.08488	0.6
218.09369	1.0
219.10207	1.5
221.08211	2.3
221.11783	2.7
231.10159	7.0
231.13693	0.7
234.08841	0.9
249.11223	100.0
250.11328	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	249.1121
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01872	0.6
56.96563	0.4
57.03423	0.4
66.08299	0.3
67.05494	1.2
69.03423	1.1
70.63126	0.7
73.02927	0.4
79.05473	1.4
81.07038	0.7
91.05488	8.0
93.07043	0.6
94.77357	0.3
95.04950	0.9
95.08602	0.8
97.02848	0.3
98.20918	0.4
98.63732	0.4
98.97582	0.6
102.90638	0.3
103.05463	1.5
105.07025	3.2
107.04963	2.4
107.08581	0.7
115.05443	5.0
116.06239	3.1
116.98614	0.5
117.07017	3.4
118.04122	0.4
118.07823	0.6
119.04935	0.8
119.08572	1.2
120.08096	0.4
121.06474	0.5
121.10151	0.4
123.04443	0.5
127.05392	0.4
128.06221	9.6
129.07010	19.3
130.04166	0.4
130.07750	1.6
131.04926	2.7
131.08569	17.8
132.05714	1.7
133.06491	3.4
133.10106	1.3
135.04369	0.5
135.08060	0.6
139.05316	0.4
141.06989	9.7
142.07761	3.9
143.04919	1.0
143.08580	3.5
144.05695	8.8
145.06483	6.0
146.03532	0.4
146.07246	3.4
147.04396	1.6
147.08008	0.8
149.06059	0.4
152.05782	1.2
153.06976	2.4
155.05984	1.0
156.05685	1.9
157.05255	0.7
157.06488	9.1
158.07289	2.2
159.04401	1.3
159.08057	28.7
160.05203	1.3
160.08786	0.5
161.06004	3.6
161.08347	0.5
161.09631	7.2
163.07521	0.5
167.07028	0.9
169.06435	1.5
169.07690	2.1
170.07266	8.7
171.04427	1.2
171.08054	5.9
172.05211	3.3
173.05988	4.3
174.06738	2.5
175.04059	0.4
175.07559	3.7
177.05453	0.7
178.06158	1.1
181.06458	0.6
184.05145	0.6
185.05978	1.0
186.06735	0.7
187.07544	18.7
188.08313	1.2
189.05455	3.0
189.09122	8.8
190.06239	1.5
190.09694	0.4
191.03400	0.7
191.07047	2.6
192.07808	0.5
193.05000	0.5
193.08556	0.9
198.06770	1.8
199.07516	2.3
200.08125	0.5
201.05432	1.4
203.07031	6.4
204.07828	12.8
205.08592	2.1
206.09358	1.6
216.07811	4.6
217.08659	1.0
218.09447	1.7
219.10165	2.0
221.08046	1.4
221.11699	3.5
231.10132	6.7
231.13739	0.5
234.08954	1.2
249.11215	100.0
250.11446	0.9
264.66980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01858	0.7
55.05497	0.4
57.03410	0.3
57.07053	0.4
67.05489	1.1
69.03421	1.2
69.07062	0.6
69.25324	0.7
69.25723	2.6
71.04988	0.5
79.05482	1.4
81.07040	1.0
91.05486	9.5
93.07040	1.1
95.04951	1.1
95.08613	0.6
97.02901	0.8
97.06509	0.6
98.97588	0.5
103.05462	1.2
105.07031	4.3
107.04943	2.7
107.08626	1.1
109.06516	0.5
115.05453	6.1
116.06223	4.5
116.98547	0.3
117.07034	3.6
118.07763	0.5
119.04931	0.7
119.08582	1.1
121.06501	1.5
121.10121	0.8
123.08044	0.5
124.05176	0.3
128.06223	10.0
129.07007	23.5
130.04131	0.5
130.07791	1.1
131.04919	1.9
131.08566	18.2
132.05687	1.4
133.06491	3.5
133.10130	2.5
135.08047	1.3
137.06001	0.4
139.05399	0.9
141.06989	10.3
142.07780	4.6
143.04938	0.9
143.08553	3.7
144.05707	9.1
145.05426	0.6
145.06477	7.4
146.03596	0.5
146.07271	4.5
147.04439	1.6
147.05423	0.4
147.08037	1.1
149.77385	0.4
152.06192	1.1
152.08017	0.3
153.06985	2.2
153.53923	0.4
155.06030	1.3
156.05716	2.4
157.06488	11.1
157.07793	0.6
157.10117	0.7
158.07301	2.9
159.04449	0.7
159.08057	29.6
160.05161	1.3
160.08676	0.4
161.05975	3.9
161.09618	8.5
163.07553	0.6
167.07024	1.1
169.06335	1.9
169.07695	2.6
170.07272	9.4
171.04402	1.2
171.08041	6.6
172.05206	3.2
173.05980	3.2
174.06770	3.0
175.07533	3.5
177.05426	0.4
178.06195	1.2
178.07655	0.5
181.06490	0.5
184.05264	0.6
185.05931	1.0
185.13347	0.4
186.06721	1.0
187.07535	18.1
188.04590	0.4
188.08228	1.1
189.05460	4.2
189.09108	8.4
190.06238	1.2
191.06989	1.4
192.07800	1.0
193.08591	1.1
198.06764	2.1
199.07501	2.8
201.05389	1.8
203.07039	6.8
203.14294	0.5
204.07820	13.7
205.08554	2.2
206.09386	1.0
213.12585	0.4
215.06804	0.4
216.07759	4.0
217.08647	1.1
218.09380	2.3
219.10120	2.2
221.08099	1.4
221.11667	3.4
231.10164	6.5
231.13774	0.7
234.08862	1.2
249.11217	100.0
250.11554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	Lyratol D
Peak:m/z	Relative Intensity
52.66722	1.5
53.03949	7.0
55.01876	3.3
55.05514	18.6
56.96558	5.5
57.03438	1.4
57.07065	5.4
65.03938	3.3
67.01866	3.6
67.05509	31.5
69.03432	42.7
69.07069	7.2
70.01480	5.6
71.04979	2.0
77.03922	1.6
77.91338	1.4
79.05497	25.7
81.03401	4.8
81.07059	40.6
83.04986	24.4
83.08616	6.7
85.02880	1.6
85.06544	2.9
91.05486	49.5
93.07047	52.2
95.04400	2.1
95.04975	25.4
95.08608	30.8
97.02848	1.7
97.06516	3.6
98.97585	3.4
99.89095	1.4
103.05440	2.2
105.03401	2.1
105.06324	2.3
105.07030	31.4
105.17345	1.4
107.04959	18.8
107.08598	23.1
109.02882	7.8
109.06515	25.1
109.10144	9.1
110.07293	5.7
111.04433	5.2
111.08083	13.9
115.05413	2.1
116.06260	2.7
116.98586	3.2
117.07053	8.6
119.04962	14.7
119.08590	54.8
121.06510	18.2
121.10155	11.5
121.53771	1.5
122.07269	3.9
123.04428	3.5
123.08030	4.1
125.09660	2.7
128.06215	3.2
128.98578	1.9
129.07053	8.2
131.04913	2.4
131.08609	8.1
133.06470	10.1
133.10149	11.5
135.04395	1.9
135.08040	14.1
135.11688	5.7
137.05963	11.2
137.09645	12.2
139.07556	5.3
142.07791	2.0
143.08574	4.9
145.06488	3.9
145.10143	5.7
146.07236	1.5
147.04422	3.4
147.08052	100.0
147.11676	6.3
149.09593	6.5
151.07533	1.8
155.04688	1.5
155.54813	1.7
156.09396	2.2
157.10092	3.5
159.08038	3.3
159.11667	2.5
161.05957	6.1
161.07271	1.4
161.09633	11.2
161.13255	12.6
163.11218	3.3
165.05487	33.4
165.09138	2.6
170.10916	4.5
171.11690	5.3
174.06790	1.7
175.07553	10.5
175.11203	2.1
175.14868	8.4
179.06999	5.6
185.13300	6.6
187.11156	1.8
189.09099	5.3
189.12761	15.5
193.08560	2.0
195.11589	2.0
203.14284	18.7
204.07782	1.6
207.13675	2.2
213.12756	10.0
231.10231	2.9
231.13771	21.7
231.17445	2.0
231.21066	1.9
249.11201	6.7
249.14851	95.2
249.18625	4.8
249.22131	6.0
249.25169	13.1
252.94185	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	249.2213
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03944	15.2
55.01855	5.7
55.05511	28.1
56.96549	4.9
57.03413	4.5
57.07058	5.6
66.91732	1.6
67.05503	54.4
69.03432	9.7
69.06754	1.5
69.07071	23.6
69.17786	17.0
71.04981	4.5
71.08634	8.9
79.05492	20.3
79.42452	1.5
80.04993	1.7
81.03418	53.2
81.06606	2.5
81.07054	34.4
83.04967	7.9
83.08588	5.2
85.06544	3.7
85.30832	1.4
91.05473	22.3
93.07041	28.3
95.04971	28.2
95.08599	38.0
97.06507	3.9
97.10163	3.7
98.21552	2.7
99.08083	6.0
105.07037	14.2
105.46681	1.6
107.08586	11.5
109.06506	10.5
109.10155	30.0
111.08072	2.4
112.15858	1.4
119.08563	17.7
121.06507	2.4
121.10165	10.3
123.08037	4.6
123.11730	7.0
123.51655	1.5
129.07043	1.8
133.10117	9.7
135.11693	6.7
137.08563	2.7
137.09599	42.1
137.13266	3.1
139.11223	4.1
147.07979	1.5
147.11671	6.3
149.13239	5.3
151.11171	14.1
153.12709	2.4
161.13245	4.8
163.14728	1.8
165.12752	4.7
165.16417	2.3
175.14798	4.2
177.16400	3.0
179.14296	4.6
189.16307	2.1
193.15866	3.7
231.21098	9.1
245.10503	3.6
249.09065	1.5
249.11194	2.8
249.14844	6.8
249.18559	6.2
249.22125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2213
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03940	4.2
55.05517	11.4
57.07075	4.7
60.95847	1.4
65.03934	2.5
67.05507	100.0
69.07071	13.4
71.04978	2.0
71.08630	2.4
71.49688	2.3
72.69531	1.4
76.07421	1.3
79.05496	33.9
79.43090	1.5
81.03444	2.8
81.07059	92.5
81.39581	1.5
81.77103	1.5
83.04989	1.5
83.08620	9.7
85.06527	3.3
91.05475	22.4
93.07050	37.6
95.04968	4.8
95.08611	76.5
97.06522	5.4
97.10172	3.7
99.08096	3.9
101.99686	1.4
104.99258	1.7
105.07046	15.0
107.08602	13.8
109.06520	2.0
109.10160	20.3
111.08078	3.5
113.09616	3.5
114.02656	1.3
114.58723	1.3
116.04214	1.3
119.08572	12.7
119.73776	1.4
121.06519	2.1
121.10135	10.1
123.11697	8.6
133.10147	16.6
135.11658	9.0
137.05933	1.4
137.09547	1.8
137.13254	14.1
145.10146	1.9
147.08043	1.8
147.11703	8.1
149.13275	12.7
151.11230	1.8
151.14830	2.6
159.11615	1.3
161.13260	12.2
175.11087	1.3
175.14813	6.8
189.16399	1.6
193.12303	2.3
207.11595	1.8
231.21103	13.1
235.02162	1.8
249.14705	3.0
249.18648	8.6
249.22131	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	249.2212
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
51.02383	1.3
53.03946	23.4
55.01869	8.2
55.05512	31.8
57.03428	2.7
57.07072	7.1
59.04987	2.2
64.48904	1.0
65.03925	2.1
67.05503	62.1
69.03408	2.7
69.06697	2.1
69.07069	39.1
69.52380	1.3
69.52711	8.4
71.04985	3.7
71.08629	2.2
73.06580	1.1
79.05498	27.1
81.03417	78.4
81.07057	54.2
81.07542	2.2
83.04518	1.2
83.04982	17.8
83.08604	11.6
85.06545	2.9
85.10164	3.8
91.05474	15.5
93.06495	1.9
93.07043	24.8
95.04968	38.2
95.08608	34.7
97.06518	5.5
97.10171	9.5
98.20877	2.3
99.08093	1.8
105.07031	15.9
106.49150	1.3
107.08596	15.9
109.06514	10.0
109.10158	17.5
111.08068	1.7
113.09637	2.9
115.87157	1.0
119.08579	8.5
121.10147	11.0
123.08085	5.1
123.11717	8.5
124.05474	1.3
125.09610	3.4
131.08575	2.2
133.10138	15.5
135.11655	6.7
137.09619	1.3
137.13252	3.3
139.11189	1.5
143.08572	1.3
145.06511	1.5
147.11726	5.9
149.13274	3.9
151.10002	2.0
151.11179	41.1
151.14740	1.1
152.11591	1.0
153.12718	3.0
161.13293	5.6
163.14810	1.7
165.12801	10.7
167.14378	2.3
175.14848	2.2
177.16350	2.7
179.14273	5.2
191.17935	2.1
193.15816	1.9
231.17645	1.6
231.21057	8.7
249.18634	4.6
249.22139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1075
Annotation	Semecarpifoline
Peak:m/z	Relative Intensity
51.04543	0.2
69.07050	1.2
69.97320	1.5
73.06551	0.4
89.00875	0.2
91.05468	0.7
97.06537	0.6
98.20745	0.3
98.97552	0.6
98.98464	5.4
107.15567	0.3
116.98598	0.4
116.99395	0.4
118.06541	22.9
119.03587	0.5
119.07333	0.7
130.06548	0.8
136.06180	25.3
137.04686	0.6
139.03911	0.3
139.23926	0.3
144.08105	0.7
146.06015	12.1
147.04445	0.3
148.07567	2.1
158.38535	0.3
162.09138	32.0
163.09682	0.3
174.05499	3.8
174.09070	0.5
176.07016	2.0
176.10564	0.3
177.00676	0.3
178.08635	0.8
190.08627	9.6
191.07082	0.3
192.10152	3.6
206.08122	6.5
218.08118	7.2
220.09682	3.7
222.11218	1.4
232.09727	0.4
250.10742	100.0
250.13048	14.6
251.11061	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	250.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03439	0.3
67.05486	0.3
69.07070	2.9
69.84853	1.4
71.04986	0.3
73.06532	0.4
78.72050	0.2
79.05486	0.8
79.70517	0.2
86.09689	0.2
94.04060	0.9
94.89989	0.3
97.06548	2.7
98.98470	4.4
105.07036	0.3
110.78687	0.3
119.03554	1.8
120.08061	0.3
120.44505	0.2
126.07679	0.3
135.03210	0.2
135.37677	0.2
136.06190	100.0
137.04585	1.3
137.06607	0.4
138.29285	0.3
147.04405	0.9
152.05690	1.7
161.05972	0.4
174.07771	1.0
176.07063	0.3
180.52655	0.2
206.10182	0.3
232.11856	0.4
250.12999	90.0
251.13275	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	250.1804
Annotation	Nupharidine
Peak:m/z	Relative Intensity
50.87237	0.7
50.87529	0.8
53.03942	1.5
55.01871	2.2
55.05502	1.8
56.96571	6.3
57.03445	3.3
57.07070	1.0
61.02925	1.4
65.03933	0.9
67.05516	4.8
68.05030	1.2
69.03434	4.4
69.07067	6.6
70.06580	1.6
70.37001	2.3
71.04974	1.4
71.59784	0.7
71.90318	0.6
73.02915	1.3
79.05499	4.1
81.03416	2.2
81.05805	0.8
81.07059	4.2
83.04993	1.6
84.08140	1.1
84.96041	1.4
85.02907	4.9
85.06548	2.1
87.04457	2.0
88.76457	0.6
91.05479	9.2
93.07047	4.5
94.06582	1.7
95.04963	2.9
95.08613	3.1
96.07507	1.3
96.08134	27.9
97.02898	7.3
97.06541	9.4
98.06107	1.1
98.97575	3.7
98.98470	33.4
99.04437	0.7
99.08086	1.7
100.07620	0.9
105.07036	3.9
106.06583	0.7
106.76541	0.7
107.04958	6.2
107.08607	4.3
108.05301	0.8
108.08109	3.2
109.06513	1.2
109.08945	0.7
109.10165	7.4
110.97568	1.1
111.08091	1.4
112.07601	2.0
114.09171	3.1
115.05429	1.1
116.86830	0.8
116.98625	3.8
116.99422	1.2
117.07003	1.2
119.04942	1.5
119.07307	1.5
119.08565	4.1
120.08128	1.0
121.06490	1.6
121.10139	4.2
121.41839	0.7
122.06033	2.3
122.09661	7.9
123.08067	2.6
123.11688	1.3
124.07585	1.4
124.11261	1.2
127.03896	2.2
127.11219	0.7
128.06209	0.9
128.98611	1.3
129.06992	0.6
130.07312	0.9
131.08539	2.6
132.08945	0.8
133.10121	5.8
134.09656	100.0
134.99651	1.6
135.08080	3.3
135.10339	0.8
135.11710	2.1
135.76102	0.7
136.06165	1.1
136.11220	2.3
137.05959	7.2
137.09627	8.4
138.09178	1.1
140.10699	0.7
145.05034	0.8
145.10117	2.3
146.99599	1.3
147.11685	4.4
148.11218	3.7
149.09676	1.5
149.13228	3.9
150.09129	1.2
152.10698	1.5
153.06976	0.9
154.12274	2.8
158.09641	0.8
158.10886	1.2
158.99655	1.1
159.11707	2.1
160.11276	1.4
161.01268	2.0
162.09026	1.0
162.12799	2.6
165.07060	3.3
166.02821	1.8
166.12263	6.0
173.13290	3.5
174.12778	1.9
174.99109	1.0
175.11174	1.3
176.10670	1.0
177.00789	1.4
177.12711	2.3
178.12350	1.1
183.07948	1.5
188.07877	0.8
190.09480	0.9
190.15901	7.0
191.10719	0.7
191.14308	13.9
192.13867	1.9
193.12248	1.1
207.16125	0.8
208.17023	4.5
209.07143	0.7
211.07520	2.0
215.14278	1.3
218.08833	1.0
219.01799	0.9
221.82414	0.7
225.00711	2.6
229.04335	2.0
229.54550	0.7
232.16983	6.3
233.11742	4.3
233.15329	3.8
237.02797	1.7
238.04803	1.9
239.04823	1.3
239.07027	9.5
240.07336	1.7
247.05409	2.4
247.55525	0.9
250.11212	3.7
250.18024	79.4
257.08072	1.1
269.04721	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	251.1643
Annotation	Cheimonophyllon D
Peak:m/z	Relative Intensity
53.03947	0.9
53.32555	0.4
55.01865	1.0
55.05505	4.8
56.96560	1.8
57.03436	1.2
57.07067	1.2
57.41982	0.4
59.04997	1.0
60.54699	0.4
67.05508	10.2
69.03424	1.2
69.07075	3.1
71.04994	2.7
71.49352	0.5
79.05480	2.9
81.03416	1.4
81.07056	5.6
83.04981	1.0
83.08612	1.2
83.40141	0.4
85.06558	2.0
91.05489	3.4
93.07039	7.4
95.04965	3.6
95.08614	25.3
97.02985	0.4
97.06532	4.2
97.10166	0.6
98.98470	100.0
99.04471	2.0
105.07037	2.6
107.04956	0.7
107.08607	3.5
109.06535	2.1
109.10162	5.7
111.04452	0.6
111.08092	9.5
113.06038	0.8
116.98689	0.7
116.99506	5.4
117.07043	1.1
119.08582	5.5
121.06527	1.1
121.10161	2.2
123.04402	0.6
123.08055	2.3
123.11640	0.8
125.09621	0.6
129.07054	0.6
131.08594	1.3
133.10153	1.5
135.08087	1.5
135.11673	1.0
137.05956	0.8
137.09651	3.3
137.13312	0.4
140.01083	1.2
145.10150	1.4
147.08031	2.6
147.11697	1.0
149.09665	0.7
149.13219	0.5
151.11125	0.6
153.09126	0.5
155.10693	1.0
157.10100	0.7
159.08058	0.8
159.11774	1.0
161.09703	0.5
163.11192	0.9
163.97612	0.5
165.09123	33.7
167.10725	0.6
173.09634	1.0
174.99229	3.0
183.10181	2.1
187.11295	0.6
187.14845	1.3
195.11664	0.4
203.14207	0.5
205.15874	1.0
205.98708	0.4
209.13284	0.8
215.14381	1.4
223.15007	0.4
223.17227	0.5
229.00258	0.4
229.07532	1.2
233.15337	2.0
233.19122	0.7
247.08546	1.0
251.04840	1.0
251.10722	0.8
251.14207	0.3
251.16356	8.3
251.20134	1.5
251.23727	0.4
269.12509	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	251.1642
Annotation	Atlantonic acid
Peak:m/z	Relative Intensity
53.03946	1.7
55.01872	1.8
55.05511	7.0
56.96566	3.8
57.03437	1.6
57.07076	2.0
59.04995	1.6
61.02938	0.5
65.03945	1.1
67.05143	1.0
67.05505	19.3
67.11388	0.5
69.03433	3.3
69.07069	5.1
71.04996	4.4
71.49081	0.8
79.05489	6.2
81.03429	2.2
81.07055	12.4
83.04986	2.8
83.08626	2.0
85.02900	1.4
85.06535	4.0
87.04484	0.9
91.05486	7.9
93.07042	17.3
95.04965	9.8
95.08607	55.3
96.08938	0.5
96.84052	0.5
97.02917	0.7
97.06531	7.7
97.10168	0.5
98.98466	100.0
99.04458	3.2
99.08060	1.0
103.05466	0.7
105.07027	5.8
107.04937	1.2
107.08597	7.9
109.02861	0.6
109.06536	3.0
109.09412	0.5
109.10157	11.6
111.04440	1.6
111.08077	17.1
113.06014	1.3
115.05453	0.7
116.99487	5.8
117.07016	2.1
119.08582	12.1
121.06519	2.8
121.10159	3.9
123.04413	0.6
123.08060	4.5
123.11700	1.7
125.09627	1.8
129.07022	1.0
131.08583	3.2
132.05704	0.6
133.06471	1.0
133.10121	3.7
134.99631	0.6
135.08046	2.5
135.11691	2.5
137.05981	1.4
137.09613	10.9
139.07498	1.1
140.01065	1.3
141.07028	0.7
143.08551	0.5
145.06540	1.1
145.10135	5.0
147.08040	5.8
147.11684	1.6
149.09613	2.5
149.13240	1.3
151.07533	1.5
151.11186	0.7
153.09065	0.7
155.08566	0.5
155.10684	2.4
157.10144	0.9
158.07347	0.7
159.08012	1.9
159.11711	3.3
161.05969	0.7
161.09583	1.1
161.13229	1.4
163.11107	2.4
165.09111	73.6
166.09470	0.6
167.10646	1.0
171.11652	0.8
173.09598	2.4
173.13277	1.6
174.99207	3.6
175.11197	0.8
175.14824	0.8
177.09084	1.2
177.12759	1.4
179.06935	0.6
179.08565	0.7
179.43848	0.6
181.05048	0.5
182.10808	0.7
182.59392	0.5
183.10213	3.8
187.07982	0.5
187.11127	1.1
187.14758	3.6
189.12717	0.8
189.16443	0.6
191.10616	0.7
191.17908	0.8
193.08626	1.0
195.11708	0.7
197.13217	1.3
199.06433	1.5
201.07948	0.7
201.11195	0.6
203.05879	0.7
203.14297	0.7
205.08707	1.1
205.15871	2.3
207.11794	0.6
208.09665	1.9
209.13268	0.7
211.06496	0.7
215.14268	3.3
215.17796	0.9
217.07480	2.7
226.11420	0.5
229.07457	10.3
233.11641	1.7
233.15393	5.1
233.18991	1.7
236.15605	0.6
247.08508	9.3
251.04848	0.7
251.12529	10.8
251.16405	21.5
251.20148	2.0
251.23657	0.9
252.09047	1.2
252.12483	0.6
269.12363	4.9
269.97586	0.4
270.10031	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	251.1643
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03944	1.0
55.01873	1.2
55.05513	6.5
56.96567	3.1
57.03429	0.9
57.07072	1.7
59.04997	1.2
61.02930	0.6
65.03943	0.5
67.05505	5.7
69.03422	1.8
69.07068	8.9
70.95781	0.7
71.04990	1.8
73.02909	0.6
79.05489	7.1
81.03423	0.9
81.07055	10.5
83.01347	0.4
83.04979	8.8
83.08604	1.5
85.02904	1.0
85.06543	1.0
87.04441	0.5
91.05486	5.5
92.57114	0.5
93.07043	22.4
95.04960	3.2
95.08609	7.6
97.02897	1.5
97.06540	3.4
97.10166	0.8
98.98466	100.0
99.04421	0.4
103.05489	1.0
105.07021	7.1
107.04939	1.9
107.08593	6.7
108.08915	0.4
109.06517	3.9
109.10157	2.9
111.04446	7.5
111.08078	1.7
111.11734	2.4
115.05457	1.1
116.98606	1.7
116.99509	4.7
117.07039	2.1
119.08579	4.2
121.02816	0.5
121.06536	2.0
121.10144	30.8
123.08042	3.1
123.11705	2.2
125.06000	0.9
125.09615	1.6
129.06996	0.4
131.00153	1.6
131.04880	0.5
131.08521	2.5
133.06447	1.0
133.10132	1.9
134.99648	0.7
135.04352	0.5
135.08058	2.0
135.11682	1.6
137.05984	0.8
137.09598	1.5
139.03969	0.6
139.07527	0.5
139.11176	2.1
140.01059	1.1
141.06990	0.5
143.08548	0.8
144.05658	0.5
145.06464	2.8
145.10149	2.4
147.04488	0.5
147.08047	1.1
147.11697	1.5
149.01195	3.2
149.02240	0.5
149.05931	0.5
149.09628	11.1
149.13263	0.9
151.07542	0.8
156.03641	1.1
157.10153	0.6
158.99669	0.7
159.08057	0.8
159.11674	1.5
161.01224	0.8
161.05939	0.9
161.09518	0.7
163.07532	1.0
163.11160	1.6
167.02283	1.6
167.10675	77.9
168.11066	1.0
173.05934	1.3
173.09532	0.8
173.13240	2.0
174.99196	3.4
175.11214	1.4
177.00648	0.8
177.05489	0.5
177.09152	0.6
177.12711	0.5
179.06433	0.6
180.07176	0.7
187.11177	0.6
187.14821	0.6
188.06940	0.7
189.00526	0.4
189.05502	0.6
191.07005	1.6
191.14297	1.5
191.17909	0.6
193.12193	0.9
201.87865	0.4
205.08511	0.8
205.12149	0.4
205.15874	0.9
209.09723	0.4
209.15356	0.5
215.14165	1.0
219.06552	0.5
223.07538	0.6
233.08061	0.7
233.11620	1.2
233.15344	2.5
233.19102	1.0
251.04739	0.6
251.08757	5.4
251.10788	0.6
251.12674	0.9
251.13872	0.7
251.16376	11.7
251.20142	1.5
251.23709	1.0
251.58600	0.8
252.09398	0.8
269.12344	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	251.1642
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03944	0.6
53.65479	0.5
53.82824	0.4
55.01862	0.6
55.05510	3.3
56.96569	6.4
57.03438	0.8
57.07073	0.9
65.03955	0.6
66.07863	0.4
67.05505	9.7
67.24116	0.4
69.03435	0.6
69.07064	2.8
71.04974	0.8
71.34346	0.8
77.01611	0.4
79.05495	8.0
81.03408	1.3
81.07053	10.0
83.04964	1.1
83.08618	1.1
85.06507	0.8
91.05486	10.3
93.07046	5.2
95.04967	3.7
95.08603	6.5
95.97530	0.5
97.06537	1.0
98.98466	100.0
103.05477	0.5
105.07033	7.7
107.04958	2.7
107.08589	3.2
107.09227	0.6
109.06528	3.1
109.10153	3.8
111.08059	0.5
113.09374	0.5
116.99503	4.9
117.07013	3.2
119.08578	5.8
121.06480	1.6
121.10141	2.3
123.08090	1.1
123.11665	1.4
123.51328	0.5
125.09693	0.6
129.07018	1.1
131.08560	5.7
133.10117	1.8
135.08090	1.0
135.11719	0.7
137.09608	0.7
140.01103	1.4
143.08568	0.9
145.10144	2.3
146.67749	0.4
147.03209	0.5
149.09644	0.9
155.03720	0.6
155.08566	0.6
159.03236	0.6
159.11697	1.4
163.97740	0.7
167.10690	0.6
169.10159	0.7
171.11682	1.1
173.13287	1.1
174.99226	3.7
175.91818	0.5
187.14867	2.1
197.13292	1.1
205.15840	1.5
205.98753	1.1
210.38753	0.5
213.07988	1.4
215.14355	1.1
229.07442	0.7
231.09096	2.8
233.15369	5.9
233.18910	0.7
251.04668	0.8
251.09355	0.6
251.14117	1.0
251.16463	3.8
251.20126	1.5
251.23891	0.6
269.10458	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	252.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.8
69.03422	0.3
69.92714	0.3
71.95283	0.4
80.96765	0.3
81.97596	0.3
85.02895	1.0
97.02889	0.8
98.97588	4.9
98.98465	8.1
101.00855	0.7
110.01431	0.5
116.98626	7.4
116.99384	0.5
117.98989	0.5
119.01923	6.3
120.01987	0.4
121.01678	0.8
122.97822	0.4
131.01921	0.7
134.99678	10.7
137.01974	0.7
137.02945	3.0
140.98814	0.8
142.03531	0.5
143.01891	0.6
153.00800	4.3
154.94150	0.7
157.01685	0.4
158.99840	2.9
160.04591	0.4
162.99348	0.5
172.95247	1.2
173.02991	0.7
177.00954	62.4
178.01089	2.4
179.02609	0.6
182.98071	0.7
182.99792	0.4
185.01430	0.6
190.96294	1.4
191.02353	0.5
195.01985	2.6
200.02480	1.0
201.00960	0.7
203.02510	23.3
204.02682	0.7
204.97961	0.4
205.00455	1.9
210.99266	1.5
219.02011	13.8
220.02145	1.2
221.01808	0.6
226.04283	0.3
228.98230	0.8
229.00436	6.5
229.07408	0.6
229.09435	0.3
230.93498	0.4
234.99904	0.5
237.47810	0.6
237.97682	0.6
238.01718	0.4
246.03148	0.4
247.01495	100.0
248.01605	2.5
249.51738	0.8
249.99304	0.7
252.23326	0.4
255.95016	0.5
256.96771	0.6
258.48239	0.4
261.00085	0.7
261.03064	3.0
262.03104	0.4
263.02963	0.7
265.02777	0.4
270.03021	4.1
272.94440	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	252.1229
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
53.03974	0.4
55.01880	0.4
55.05506	1.0
56.04640	0.3
56.05035	0.7
56.96569	3.5
57.03429	0.3
58.63836	0.3
59.04995	0.7
62.83056	0.3
66.43852	0.3
67.05501	2.0
68.05028	0.4
69.03432	0.7
69.07063	1.0
70.06588	0.5
71.04975	0.6
71.49480	0.5
72.04516	0.7
74.06075	0.6
77.63097	0.3
79.05489	3.0
80.05012	0.9
81.03422	0.7
81.07053	1.8
82.06580	0.7
83.04984	0.6
86.06052	0.4
87.04482	0.5
88.07616	0.4
91.05474	2.7
92.04995	0.3
93.07039	2.2
94.06575	1.0
95.04974	1.3
95.08607	1.2
96.04497	0.9
96.08130	0.6
96.08938	0.5
97.06524	0.8
98.98468	42.3
99.98913	0.4
100.98872	0.6
102.25967	0.3
103.05480	0.4
105.07027	1.9
106.06554	3.4
107.04949	4.1
107.07321	0.8
107.08604	0.7
108.08116	0.6
108.08904	0.5
109.06544	0.6
110.06048	0.3
115.05440	0.5
116.98739	0.5
116.99500	2.2
117.05755	0.9
117.07041	0.6
118.06583	0.4
119.04943	0.8
119.08566	0.4
120.08104	1.6
121.06500	1.2
121.10150	0.6
122.06029	1.0
122.09663	0.9
122.10502	0.6
124.04002	0.4
124.07568	1.9
126.05503	0.9
126.09163	0.6
128.49359	0.3
129.75429	0.3
132.08066	2.0
133.06471	0.5
133.08908	0.4
133.10133	0.5
134.05998	3.1
134.09651	1.0
135.11682	0.4
136.07578	0.4
137.05972	0.4
138.05484	1.6
139.03917	0.6
139.07552	0.6
140.01028	0.4
147.05522	0.5
148.07507	1.5
149.05972	0.4
149.08284	0.7
150.05505	3.5
150.09140	32.2
151.06284	0.4
151.07529	0.3
151.09927	5.1
152.07047	0.6
158.08188	0.8
160.07584	2.4
161.01266	0.5
161.05972	0.4
164.07072	7.1
164.10760	0.5
165.07773	1.1
166.08653	2.6
173.04890	0.5
174.99248	0.6
176.07169	0.6
176.98906	0.5
178.08632	11.2
181.05078	0.4
182.08113	2.3
183.06908	0.4
183.09026	0.5
184.09691	0.4
191.06053	0.4
192.10190	1.3
193.08659	0.8
194.08128	2.6
195.08943	1.3
199.06465	2.2
201.07922	1.5
202.77357	0.3
203.05743	0.4
203.09552	0.6
205.98740	0.8
206.15419	0.4
208.09688	17.2
209.10457	7.7
210.11247	100.0
211.06406	1.1
211.11554	1.6
213.06285	0.6
217.07466	4.1
217.57057	0.8
219.09059	1.0
220.09673	3.1
224.12762	0.5
229.07478	15.3
234.11102	0.3
234.14851	1.5
247.08546	16.0
252.09248	0.8
252.12288	15.8
252.16014	3.7
252.20529	0.3
270.10010	0.7
270.12561	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	253.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28741	2.1
60.46709	1.7
66.91609	2.1
70.11365	6.2
74.45651	1.8
80.23609	2.0
98.98467	100.0
112.89607	4.2
116.99529	2.2
123.66857	2.0
131.37172	2.5
252.96822	6.5
253.00862	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	253.1181
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
52.29559	0.3
52.64915	0.3
55.05521	0.9
56.96565	0.9
57.07077	1.0
59.88281	0.3
60.04521	45.0
67.05513	1.4
68.86375	0.3
69.07062	1.3
70.02950	0.5
70.06603	0.7
71.04977	0.5
71.08652	0.4
71.24583	0.6
75.74380	0.4
81.07056	1.8
83.08606	0.4
84.08128	0.5
85.02921	0.4
85.06547	0.4
87.05589	1.4
91.05448	0.6
93.07041	0.9
95.04951	0.5
95.08596	1.7
97.02911	0.5
98.98462	100.0
100.98886	1.1
103.05453	2.1
105.07036	0.6
107.04931	0.8
109.10152	1.0
113.39161	0.3
116.98672	0.5
116.99491	4.6
119.08559	0.5
119.96706	0.3
120.08096	66.5
121.08417	0.7
131.04924	1.3
132.08121	0.7
141.05545	0.5
144.08073	1.9
145.04878	0.3
149.06000	1.4
162.09152	1.7
166.08633	43.5
174.90048	0.3
174.99232	1.2
176.98904	1.3
184.05052	0.4
197.11752	0.9
207.11258	11.5
217.19368	0.4
219.04951	0.7
225.46300	0.4
235.10706	2.8
235.20276	0.4
253.11859	5.8
253.14731	0.4
253.15497	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	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
54.47738	0.2
55.01862	0.3
55.05511	1.7
56.96562	1.8
57.03421	0.8
57.07080	1.8
60.04538	1.9
60.49744	0.2
61.02913	0.7
67.05516	1.3
69.03435	2.2
69.07076	1.4
69.68552	1.6
70.06587	1.9
71.01348	0.2
71.04987	0.9
71.08623	0.4
72.08144	0.4
73.02930	0.4
73.06554	2.7
74.06068	0.3
79.01289	0.3
79.05486	0.6
81.03408	0.9
81.07041	1.9
83.04962	0.3
83.08614	0.6
84.08112	1.3
85.02901	7.1
85.06548	0.5
86.09714	0.5
91.03948	0.4
91.05476	1.0
93.07030	0.4
95.04981	0.6
95.08597	2.1
97.02896	2.2
97.06521	0.4
98.06046	0.8
98.98464	100.0
99.04459	0.7
100.98884	1.5
105.07001	0.6
106.13230	0.2
107.08597	0.5
109.02874	0.7
109.06469	0.3
109.10155	1.0
110.06077	0.3
110.07142	0.8
116.98620	0.8
116.99498	5.5
117.03906	0.3
119.04953	1.1
120.08100	3.7
121.10143	0.5
122.06003	0.3
122.09653	0.3
123.04443	1.0
123.08091	0.3
123.11681	0.3
125.07140	0.9
127.03936	1.5
129.10225	0.4
133.06496	0.3
133.10101	0.3
134.99658	0.8
135.04358	0.3
135.11700	0.3
136.07574	3.2
137.06000	0.4
137.09604	0.3
140.01099	0.7
141.05499	0.7
145.04939	1.5
146.06151	0.2
146.99699	0.4
147.04425	0.7
149.07146	0.3
150.05501	0.7
151.05013	0.3
151.11159	0.3
152.05351	0.3
152.07138	0.4
154.50630	0.2
155.04663	0.9
161.13275	0.3
162.05550	0.7
162.09221	0.3
164.07053	0.3
165.05461	1.9
166.05002	0.7
166.08595	1.7
166.86760	0.2
167.11806	0.9
170.08148	0.4
174.99228	2.0
176.98933	1.6
177.00693	0.7
179.07069	0.5
182.08141	3.1
194.10007	0.9
194.12889	0.3
195.11302	5.4
195.12975	0.5
197.11668	1.1
205.15231	0.3
207.11348	0.6
211.07335	0.3
237.02893	0.3
253.08565	0.6
253.12088	1.4
253.15108	1.0
253.25423	0.3
254.16130	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	253.1436
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03936	2.1
55.01645	0.8
55.01877	10.8
55.05515	11.5
56.96570	6.9
57.03440	4.4
57.07086	4.5
59.05005	1.1
65.03940	2.0
67.05510	41.1
68.05811	0.7
69.03426	6.4
69.07070	16.6
71.05000	7.5
71.08625	0.8
71.48903	1.1
73.02919	0.9
77.03972	0.8
79.05499	18.4
80.05837	0.8
81.03419	5.5
81.07063	47.7
83.04987	8.8
83.08630	4.8
85.02921	0.9
85.06551	6.1
91.05489	33.6
93.07051	15.4
94.07394	0.8
95.04973	8.5
95.08617	14.1
97.02903	1.5
97.06543	6.2
97.10181	1.7
98.98475	91.0
99.04448	2.4
99.08088	1.0
100.98895	1.0
101.02377	1.4
105.07040	31.8
107.04939	2.5
107.08602	26.4
109.06532	7.1
109.10165	46.0
111.04408	1.0
111.08118	1.8
111.11724	1.4
113.06026	2.4
116.98673	1.6
116.99506	4.2
117.07011	2.2
119.08587	8.8
121.06543	1.7
121.10152	5.6
123.04395	0.8
123.08060	3.6
123.11728	8.6
125.09605	2.8
127.07526	3.5
128.06238	1.1
128.98566	0.8
129.07045	1.3
131.08615	4.2
133.06537	1.3
133.10143	53.0
134.10602	0.9
134.99669	1.6
135.08061	18.7
135.11673	4.3
137.05957	2.6
137.09610	2.5
137.13290	1.3
139.07658	0.8
141.05463	1.7
141.07060	0.9
141.48152	0.8
142.07790	1.0
143.00214	1.1
143.08533	3.2
145.10126	2.2
147.08049	3.7
147.11676	4.9
149.09625	4.1
150.09145	3.4
151.05754	0.7
151.09486	4.9
151.11185	26.3
152.10289	1.1
153.09116	0.9
155.08582	1.1
156.09398	0.9
157.10147	1.9
159.11653	1.2
161.01247	2.6
161.09665	5.5
161.13229	3.9
163.03990	0.8
163.07498	1.3
163.11221	1.3
165.07320	1.3
165.09016	1.0
165.12737	0.9
169.10121	1.5
169.12283	4.1
171.11679	3.1
173.13344	1.3
174.99239	1.6
175.07541	0.7
175.11197	4.2
175.14876	2.2
176.98994	1.6
177.00681	1.2
179.02316	0.9
179.07088	1.1
179.08978	1.5
179.10706	2.0
189.00714	0.9
189.12762	4.3
189.16446	2.4
193.06607	1.0
193.08572	2.4
193.12236	13.4
193.15901	1.2
195.10182	2.5
196.08676	3.0
197.11711	2.1
197.13313	1.3
205.09125	2.3
207.13791	1.5
207.17514	0.9
207.59254	1.1
209.09973	1.9
210.11348	3.4
211.11598	22.1
215.12779	0.9
217.12280	7.3
217.15952	2.3
217.19476	0.9
221.06081	1.1
225.09125	1.0
230.07848	4.7
235.13287	11.7
235.16890	5.7
235.20528	0.9
248.08942	2.8
249.02812	2.3
253.08698	2.2
253.14372	100.0
254.14754	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	253.18
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.01863	4.1
55.05511	7.0
56.96360	0.7
56.96570	8.9
57.03441	2.0
57.07078	3.9
59.05013	2.0
60.88441	0.7
67.05509	16.5
69.03436	4.2
69.06741	1.1
69.07074	12.4
69.73848	3.4
71.04993	10.4
71.08617	1.1
73.02915	1.2
79.05498	6.7
81.03419	1.2
81.06608	1.2
81.07056	18.2
83.04978	4.2
83.08610	3.8
85.02867	1.3
85.06541	2.7
87.04470	1.0
91.05483	7.7
93.07043	10.6
95.04976	11.3
95.08611	13.2
97.02903	2.6
97.06531	5.4
97.10186	2.0
98.98468	100.0
99.04434	1.7
99.08087	1.8
100.98917	1.5
103.28328	0.9
105.07026	11.7
107.08591	16.1
109.06529	3.3
109.10162	23.1
111.04494	1.3
111.08076	2.9
113.06036	1.5
116.98628	3.2
116.99502	4.6
117.07050	1.3
119.08577	9.4
121.06501	2.7
121.10141	8.5
123.08047	3.5
123.11734	4.2
124.07610	1.0
125.09637	4.4
127.07553	1.6
127.11214	1.9
129.06989	1.1
131.08546	2.8
133.10146	11.3
135.08055	12.5
135.11696	5.7
137.05942	1.2
137.09613	3.1
137.13248	1.0
140.01048	1.0
141.05453	2.2
143.00142	2.1
143.08551	2.0
145.10117	5.2
147.04436	0.9
147.08043	2.1
147.11681	9.9
149.09581	4.2
149.13263	1.2
151.07545	0.9
151.11194	3.6
153.06818	0.8
153.12737	2.9
155.08524	1.1
156.09398	1.3
157.10114	2.4
158.99698	1.0
159.11676	2.5
161.01176	3.1
161.09622	3.7
161.13239	2.2
163.03873	0.9
163.11218	1.4
163.14818	1.1
165.07001	0.8
165.09113	1.2
165.12724	1.8
169.10066	1.2
171.11716	1.5
173.13239	1.0
174.99249	1.9
175.11165	3.7
175.14830	2.9
176.98932	1.7
179.10674	1.9
183.11647	1.0
189.12737	2.8
189.16354	4.0
191.18004	1.6
193.10568	1.4
193.12231	8.3
193.15855	2.8
195.10138	1.7
196.08601	2.6
196.58665	1.2
197.11685	2.7
197.13335	1.6
199.14790	1.5
203.02243	1.1
205.09111	3.4
207.13930	1.6
207.17397	1.7
211.11548	2.8
217.12199	2.4
217.15889	6.1
222.08336	1.5
229.07506	1.2
230.07785	4.6
235.13301	5.2
235.16924	8.4
235.20491	0.9
248.08913	3.5
249.02701	1.6
253.08540	3.6
253.12170	1.9
253.14159	10.2
253.17757	4.0
267.03891	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	253.18
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.01865	1.1
55.05501	2.6
56.96573	4.4
57.03431	1.0
57.07069	3.1
59.04988	1.1
63.57234	0.4
65.03938	0.6
67.05504	7.3
69.03426	0.8
69.07070	5.2
71.04993	8.0
71.08625	0.7
71.49231	0.8
79.05502	3.4
81.03424	0.9
81.07054	8.7
83.04990	1.6
83.08604	1.8
84.96025	0.5
85.06551	1.6
85.59386	0.5
87.08088	0.5
89.06042	0.8
91.05488	3.8
93.07038	5.1
95.04955	4.7
95.08608	6.8
97.02910	0.6
97.06541	2.8
97.10167	1.2
98.98467	100.0
99.08112	0.9
100.98927	1.1
105.07030	6.2
107.04980	0.9
107.08589	7.4
109.06512	1.7
109.09408	0.6
109.10156	11.9
111.04436	0.8
111.08098	1.4
111.11698	0.8
113.06021	0.9
115.05556	0.5
116.98685	0.9
116.99491	4.6
117.06992	0.8
119.03381	0.5
119.08574	6.1
121.02811	0.6
121.06531	1.1
121.10158	6.1
123.04395	0.6
123.08069	1.6
123.11716	2.1
125.09635	2.8
127.07533	1.0
127.11213	1.0
129.06979	0.9
131.08568	1.3
133.10123	4.4
135.08066	1.3
135.11685	2.7
137.09622	2.5
139.11229	1.0
140.01059	1.0
141.05553	0.6
143.08499	0.6
145.10123	3.2
147.08051	1.1
147.11691	6.2
149.02368	0.5
149.09630	1.9
149.13274	1.3
151.11238	1.1
153.09116	0.6
153.12764	2.2
155.08490	0.5
157.10060	0.9
159.11751	1.5
161.01283	1.0
161.09593	1.0
161.13304	1.7
161.91542	0.5
165.07036	0.9
165.09116	0.7
165.12746	1.2
171.11732	0.5
173.13382	0.6
174.99229	1.9
175.11197	0.8
175.14841	1.9
176.98962	1.4
179.10663	0.9
179.14378	0.8
183.11729	0.7
189.12723	0.6
189.16373	2.8
191.17941	0.7
193.06551	0.6
193.12251	1.1
193.15904	1.8
197.09993	0.4
197.11748	2.1
197.13351	0.7
199.14894	1.0
200.06845	0.8
207.05159	0.5
207.08142	0.6
207.13821	0.6
207.17535	0.8
209.09935	0.9
210.06752	0.8
211.04037	0.4
217.07430	0.5
217.12190	0.8
217.15875	2.8
217.19507	0.9
218.07872	1.1
221.06020	0.8
229.07414	0.9
230.07816	5.6
231.01750	0.5
235.13222	0.9
235.16954	5.3
235.20587	0.5
247.08603	1.4
248.08926	5.3
249.02800	1.1
253.08461	3.0
253.12193	1.1
253.14346	1.6
253.18019	1.4
253.21747	1.0
253.25322	0.5
259.09705	0.9
267.03952	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	254.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.05504	0.7
56.96566	100.0
57.03428	1.2
57.20757	0.6
58.02210	0.6
61.02919	1.5
63.09245	0.5
67.05515	1.2
69.03434	1.4
70.06590	1.4
71.04980	0.7
71.48731	1.1
71.95263	2.9
72.96053	1.1
73.02936	0.6
74.97617	4.1
80.05876	0.6
81.03419	1.0
81.07069	0.9
84.08157	1.2
84.96051	2.3
85.02910	2.9
86.97606	1.3
92.98660	1.3
97.02937	1.3
98.06039	0.9
98.97560	3.1
98.98460	5.3
105.00201	1.1
109.07662	1.2
115.00679	1.0
116.98640	1.9
118.06573	0.7
119.01920	0.9
123.01223	2.9
123.05565	4.0
124.07642	1.2
127.03938	0.8
130.96552	1.2
133.01743	1.4
134.99730	1.0
136.07582	0.8
141.02196	3.3
142.01976	0.6
148.97554	4.2
151.00732	2.4
157.01784	2.1
159.03294	8.1
161.01224	0.8
161.04643	0.7
162.09172	0.8
166.98705	4.2
167.00247	1.6
167.11858	1.3
169.01721	7.4
175.02808	6.4
175.04272	0.8
177.00786	0.6
177.04390	2.1
185.01212	10.1
185.02695	0.9
187.02791	25.4
191.02240	0.7
192.11388	1.9
193.03806	3.3
194.99625	1.3
195.11285	5.3
201.15866	0.7
203.02263	15.6
205.03838	26.4
208.09830	1.3
210.04378	0.7
213.00681	13.9
213.02480	1.0
221.03340	8.7
223.04993	2.5
230.98378	1.0
231.01767	47.7
248.99109	2.7
249.02827	50.1
254.03577	2.1
254.10124	3.9
254.13869	3.0
254.16290	4.7
255.08408	0.7
267.00409	1.9
267.03970	2.1
272.04529	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	254.1612
Annotation	CI 4
Peak:m/z	Relative Intensity
51.45603	0.3
55.05507	0.5
56.96561	0.9
64.06856	0.4
70.06590	20.3
70.84040	0.4
70.84369	0.9
82.06571	0.8
88.07605	0.4
97.07641	1.5
98.06053	18.5
98.06693	0.9
98.97620	0.5
98.98460	2.6
110.07132	0.6
112.08741	0.9
120.08091	1.6
121.08458	1.8
122.09676	2.5
125.07115	22.9
126.07343	0.4
147.51369	0.3
150.09151	0.5
153.06563	0.5
154.07372	0.8
166.13388	1.5
167.11809	25.4
171.08162	0.3
179.46225	0.4
193.09747	0.5
194.12904	8.3
195.11292	100.0
196.11711	2.0
196.13124	0.3
212.13921	0.7
220.10762	0.8
229.47939	0.4
237.13470	4.0
246.45651	0.4
254.16121	75.9
255.16452	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	255.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01865	2.5
56.25354	0.5
56.96347	0.4
56.96570	4.4
57.03444	5.5
61.02921	2.1
67.05489	0.5
69.03426	3.4
70.81535	0.5
71.00482	1.3
71.01350	1.1
71.95268	0.6
73.02921	6.0
78.03459	1.4
78.25643	0.4
80.05010	2.7
81.03436	0.5
84.08148	0.5
84.96039	0.6
85.02900	3.9
86.83531	0.5
87.04481	0.6
95.08637	0.7
96.04483	1.0
97.02890	3.5
98.97586	1.3
98.98477	2.4
101.00903	0.6
102.04944	0.5
103.03938	0.9
106.02914	6.4
109.02869	0.6
110.07184	2.8
110.97598	0.8
115.03922	1.5
116.98656	1.0
119.01905	2.5
123.05554	100.0
124.03949	4.4
127.03885	0.8
128.98610	0.8
131.01862	1.1
133.04959	2.7
134.99666	0.5
137.02927	0.6
143.01881	0.7
145.03485	0.8
146.99654	1.1
147.47501	0.5
151.04401	0.6
152.94733	1.7
155.01910	0.6
156.07719	0.7
161.02962	1.4
170.95804	4.5
173.02974	1.5
174.04515	1.5
177.00751	0.8
183.05089	1.2
185.02937	1.6
186.04376	1.0
188.03088	0.6
188.96834	1.0
203.04094	0.8
208.99747	1.5
212.96901	1.1
219.01929	0.6
221.05237	0.6
227.04073	0.7
230.97943	2.2
245.05032	0.9
248.99109	0.6
250.03198	0.6
255.06215	1.2
255.08507	2.2
255.16905	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	255.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
56.96566	0.8
57.03436	3.8
57.07056	0.2
59.04974	0.6
59.47879	0.2
61.02924	1.1
67.05482	0.3
69.03438	1.9
69.96667	1.0
70.06572	0.4
71.01357	0.6
73.02911	2.8
78.03464	1.2
80.05019	2.7
84.08142	0.3
85.02914	3.4
85.09660	0.2
87.04452	0.5
93.04510	0.2
94.06588	0.5
95.42841	0.2
96.04485	0.9
96.95770	0.2
97.02889	1.3
98.06059	0.3
98.21418	0.4
98.97597	0.9
98.98459	0.6
103.03925	0.4
106.02918	6.9
110.07189	1.1
115.03927	1.4
116.98627	0.6
119.01871	0.3
123.05556	100.0
124.03957	5.4
124.05901	0.9
131.01935	0.2
133.04974	2.3
143.89516	0.2
152.94719	0.5
155.01872	0.2
155.08202	0.3
158.99614	0.2
170.95810	1.2
173.02878	0.3
177.43188	0.2
188.96875	0.4
189.71294	0.3
193.11778	0.2
195.11281	0.5
196.11647	2.1
212.96878	0.2
230.97874	0.4
255.13910	0.4
255.16402	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	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
55.01874	3.7
55.05509	1.5
56.05031	0.8
56.96563	10.0
57.03437	7.3
57.07061	0.9
58.06599	0.6
59.04990	1.1
61.02930	5.7
65.03925	0.3
67.05499	1.6
68.05020	0.5
69.03431	7.2
69.07069	2.0
70.06589	3.3
70.79550	0.6
70.98112	0.5
71.01356	2.1
71.04984	1.6
71.08639	0.4
71.95265	0.5
72.04505	0.6
72.08152	1.9
73.02912	5.9
74.06064	0.6
74.97613	0.6
75.04498	0.3
78.03436	1.0
79.05485	0.9
80.05014	3.4
81.03429	2.0
81.04539	0.6
81.07064	1.3
82.06564	0.9
83.01354	0.3
83.04978	1.2
83.06093	0.6
83.08627	0.6
84.04514	1.0
84.08144	5.9
84.96032	0.9
85.02908	10.4
85.06537	0.8
86.03207	0.4
86.06055	1.0
86.09703	1.3
87.04462	2.1
90.01566	0.4
91.03961	0.5
93.07064	0.4
94.06577	3.3
95.04961	0.8
95.06101	0.5
95.08605	0.5
96.04502	1.9
96.08126	0.9
97.02891	8.9
97.06528	0.7
97.07641	0.3
98.03230	0.5
98.06047	0.5
98.09682	0.6
98.97584	5.0
98.98463	6.9
99.04459	1.7
100.07605	2.5
101.00835	0.7
101.02333	0.5
102.05552	0.3
102.97129	0.4
103.03929	0.4
104.01241	0.5
105.02081	0.4
105.07018	0.3
106.02916	6.6
107.04959	0.6
107.08543	0.3
108.08138	0.4
109.02895	1.2
109.05199	0.3
109.07644	0.4
109.10139	0.3
110.01277	0.6
110.06036	0.6
110.07181	4.7
110.07931	0.4
110.09679	0.7
110.97578	0.9
111.02861	0.3
111.04439	0.7
111.05552	0.4
111.53637	0.3
112.07604	0.7
112.99150	0.6
113.02394	0.5
113.03498	0.8
114.05508	0.7
115.02434	0.5
115.03925	2.5
116.07096	0.8
116.98617	4.8
116.99387	0.6
117.02016	0.6
119.01897	3.2
119.04922	0.5
120.08099	0.9
121.01649	0.4
121.05135	0.4
121.06505	0.4
121.10152	0.4
122.06015	0.5
122.09632	0.5
123.05553	100.0
124.03950	27.6
124.05893	1.0
124.07586	0.8
125.07087	0.5
125.10780	0.4
125.53350	0.3
126.05527	0.3
126.09167	0.5
127.03922	1.9
128.02310	1.2
128.98604	2.3
129.01819	0.3
129.10239	0.6
130.03720	0.4
130.08621	0.7
131.00172	2.0
131.01881	1.1
132.02635	0.3
132.03500	0.4
133.01730	0.4
133.03490	1.4
133.04971	4.2
134.02249	0.4
134.05969	0.3
134.99667	3.4
135.03165	0.3
135.11722	0.4
136.06200	0.9
136.07552	1.1
136.11165	0.3
137.01996	0.3
137.02936	1.0
137.08043	0.3
138.05553	0.5
138.06642	0.3
139.08784	0.4
139.09782	0.8
140.02310	1.3
141.03070	0.5
141.05513	0.3
141.06577	0.7
141.53424	0.4
142.96516	0.3
143.00160	1.0
143.01921	0.8
144.99852	0.6
145.03455	1.1
145.04961	0.9
146.06010	0.3
146.99651	2.6
147.03134	0.7
147.04982	0.6
148.03891	1.1
148.07515	0.5
149.01199	2.0
149.02907	1.1
149.06583	0.6
150.05505	0.6
150.09160	0.5
150.12756	0.6
152.04727	0.5
152.05710	1.9
152.07092	2.1
153.00630	0.5
153.04086	0.5
153.05783	3.2
154.08595	2.9
155.01875	0.7
155.08189	1.0
156.03625	0.3
156.06554	0.5
156.07716	1.7
156.10178	0.5
157.01456	0.3
157.03406	0.5
158.99675	1.2
159.03156	0.5
159.05048	0.9
160.02751	0.7
160.54889	0.4
161.01299	1.7
161.03004	1.6
161.05527	2.1
161.06668	0.7
161.54396	1.0
161.55609	0.5
162.01733	0.3
162.03502	0.8
162.06351	0.9
162.99062	0.3
163.02704	0.4
163.04402	0.9
164.07010	0.5
165.00751	1.0
166.04988	0.6
166.08626	0.5
167.02283	0.4
167.54385	0.4
168.03586	2.7
168.06383	0.5
169.04388	1.1
170.05112	0.5
170.99669	0.5
171.04912	0.4
172.02808	0.4
172.95276	0.3
173.01259	1.5
173.02969	1.3
173.54323	0.4
174.04366	1.2
174.99202	0.4
175.02815	0.7
175.04478	1.1
176.03474	0.4
176.99249	0.3
177.00729	1.9
177.02464	0.5
177.04131	4.8
177.05901	0.5
177.10210	2.0
177.54358	0.5
178.04970	1.8
179.02301	0.5
179.54581	0.3
182.03229	0.4
183.04225	0.6
184.04855	0.5
185.02748	0.3
186.04353	0.5
187.00380	0.6
187.02707	0.4
187.04385	0.4
188.54930	1.2
188.97171	0.4
189.00906	1.4
189.03807	0.9
190.98692	0.9
191.02238	0.9
191.03925	0.6
193.03809	0.4
193.11775	1.5
193.13321	0.5
193.17012	0.6
194.11975	0.4
195.05138	0.5
195.08391	0.3
196.02696	0.6
196.09802	0.3
197.02980	0.8
198.04698	0.7
201.00687	0.7
201.02480	0.4
201.05986	0.4
203.02313	0.6
203.04062	0.5
204.05415	0.8
205.01607	0.6
205.03851	0.4
207.05341	0.3
208.99620	0.8
209.09856	0.4
209.12932	0.5
211.12054	0.6
213.03618	0.6
214.03906	1.3
219.01770	1.1
219.14780	0.3
221.05074	0.9
225.12215	0.3
227.03951	0.4
231.01866	0.4
231.05083	0.3
232.04895	0.5
232.99710	0.4
237.02774	2.2
237.12541	1.1
237.16032	1.2
238.10709	0.5
238.14536	0.4
245.05109	0.9
246.05908	0.3
247.06593	0.4
249.02783	0.4
251.00569	0.4
255.06361	0.4
255.07855	0.4
255.10446	1.6
255.13489	9.3
255.17070	3.5
256.07388	0.4
256.11752	1.6
261.08353	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	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03919	3.6
55.01855	6.9
55.05509	34.5
57.03178	4.0
57.03437	58.7
57.07061	9.5
67.05512	75.9
69.07076	39.4
71.01351	7.5
71.04984	7.6
71.08643	5.1
73.26351	3.2
78.55722	3.1
79.05498	66.7
81.03412	5.7
81.07050	39.3
83.05000	22.9
83.08623	12.8
85.06548	4.9
86.85087	3.2
91.05486	28.6
93.07046	74.6
95.04970	10.6
95.08603	13.2
97.06535	23.5
97.10178	25.4
98.21549	8.9
98.98452	14.5
99.08105	3.9
105.07007	3.5
107.08598	58.7
109.10152	13.4
111.08039	5.2
117.07012	10.6
119.08573	11.1
121.10133	13.0
124.62879	3.3
125.09653	4.6
129.21609	3.1
133.10095	5.7
135.11691	100.0
145.10101	13.0
149.70744	3.0
151.83160	3.1
152.23425	3.9
163.11209	6.2
181.12302	20.6
207.74515	3.4
229.38841	4.5
255.15814	40.6
255.20911	4.8
256.26416	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01861	4.5
55.05511	33.6
56.96557	3.9
57.03438	49.9
57.07061	4.5
59.04964	1.2
65.03933	3.1
67.05505	81.8
68.05833	1.6
69.03423	2.0
69.07067	30.4
71.01348	7.7
71.04990	9.2
71.08623	2.2
71.49367	1.5
77.03931	1.2
79.05493	64.1
81.03405	9.0
81.07056	40.6
81.07539	2.1
83.04984	18.8
83.08612	7.9
85.02901	1.9
85.06549	7.0
85.10204	1.2
91.05476	28.3
93.07043	79.6
95.04958	11.2
95.08601	15.4
97.06521	23.4
97.10171	21.7
98.98466	35.8
99.08080	4.3
100.98924	1.5
105.04530	1.6
105.07015	10.1
107.04173	1.2
107.04948	3.4
107.08594	52.0
109.06532	3.5
109.10150	14.6
111.04449	2.0
111.08074	5.0
111.11710	2.4
113.09624	1.7
115.05436	2.0
115.91154	1.2
116.99518	1.3
117.07012	8.1
119.08579	12.2
121.06490	3.3
121.10141	14.4
123.11720	2.6
125.05918	1.6
125.09614	3.8
128.06209	1.2
128.92555	1.0
129.06972	2.3
130.07770	1.5
131.08536	1.6
133.10138	8.5
134.99644	1.6
135.08029	3.3
135.11688	100.0
136.12057	1.6
137.09581	4.3
142.07761	1.5
143.08536	2.9
145.03455	1.9
145.10129	18.4
149.13277	1.7
151.11195	1.3
153.12753	4.2
157.10106	2.5
159.11679	3.0
163.11174	12.4
163.14871	1.3
164.06224	2.0
165.05440	1.2
165.06944	1.5
167.07249	1.3
167.08612	1.5
168.05742	7.5
169.10126	1.5
171.11661	2.9
173.09676	1.3
176.98958	1.2
181.09872	1.2
181.12263	18.8
183.11742	1.3
185.13216	2.0
192.05701	18.5
195.11725	1.6
196.05220	1.5
197.13306	1.8
199.03091	45.6
199.12448	1.3
200.03445	2.8
206.06909	1.4
209.09515	2.2
209.13228	1.2
210.09096	1.6
211.08667	2.4
212.09419	3.5
213.09126	1.3
213.16393	1.5
215.60179	1.1
220.05185	25.3
225.06612	1.3
227.02641	8.0
227.04503	1.8
227.11954	6.7
227.13699	1.2
237.11136	2.1
237.16449	1.9
237.18565	1.6
240.08965	3.4
255.02087	10.2
255.06335	2.8
255.11209	13.3
255.13821	2.3
255.15771	33.8
255.21048	3.5
255.23271	2.0
256.09653	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01865	4.5
55.05513	32.9
56.15689	1.1
56.96573	6.5
57.03438	55.3
57.07082	7.8
59.04988	1.9
65.03926	3.4
67.05506	76.9
68.05824	2.3
69.03429	3.7
69.07069	35.0
71.01360	7.8
71.04993	9.5
71.08612	2.3
71.49535	2.0
73.02937	1.2
74.28312	1.2
79.05495	79.0
81.03422	10.1
81.07056	43.4
83.04987	21.5
83.08613	10.6
85.06543	10.0
88.50040	1.2
91.05479	29.9
93.07044	81.3
95.04977	12.1
95.08611	20.6
97.02881	1.8
97.06532	23.0
97.10172	21.1
98.97610	2.8
98.98468	33.0
99.04433	2.2
99.08092	2.7
100.98952	1.4
102.55666	1.3
103.00633	1.3
105.04488	1.7
105.07027	9.4
107.04954	3.7
107.08595	60.9
109.06505	4.4
109.10161	14.7
111.07236	1.1
111.08031	5.8
111.11727	2.5
116.98605	3.5
117.07018	9.0
119.08581	15.3
119.39727	1.6
121.06515	3.4
121.10149	13.9
123.11677	2.2
125.05993	2.4
125.09624	5.3
128.06213	1.7
129.06985	2.0
130.07779	2.6
131.08574	3.8
133.10132	9.1
134.99657	2.6
135.08122	2.8
135.11694	100.0
136.12021	1.7
137.09612	3.9
139.11208	1.7
143.08551	4.5
145.03419	1.7
145.10124	18.8
147.11641	1.9
149.13280	3.0
153.12744	4.9
155.08548	1.5
157.10149	4.1
159.08095	1.7
159.11674	4.2
161.01115	1.3
163.04395	5.1
163.11201	15.6
163.14787	2.1
165.06985	2.6
166.08054	1.3
169.10193	1.3
171.08073	1.7
171.11707	3.4
173.13280	3.1
174.55360	1.3
177.00562	2.1
181.06544	1.4
181.10110	1.3
181.10722	1.8
181.12247	17.8
183.11597	1.3
185.13278	1.9
195.08047	1.3
195.11743	2.9
197.13376	1.5
199.11241	3.0
199.13184	2.1
209.09572	2.3
209.13278	1.7
209.88277	1.2
211.14738	1.6
213.09076	1.6
213.16362	1.4
219.17558	1.7
227.14487	1.5
228.04631	4.0
237.18481	2.5
237.22078	1.8
240.08934	1.2
250.02951	1.2
255.06436	4.1
255.10210	6.1
255.13647	2.2
255.15671	34.4
255.21165	5.2
255.23328	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	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99143	1.1
53.03941	6.7
55.01859	4.5
55.05510	33.2
56.96554	1.7
57.03439	59.8
57.07060	4.5
65.03925	3.3
67.05507	89.2
69.03394	1.6
69.06706	1.5
69.07071	27.3
69.99079	2.6
69.99473	2.9
70.07375	1.4
71.01365	8.5
71.04984	8.5
79.05492	77.5
81.03419	8.4
81.07056	44.7
83.04527	1.8
83.04983	22.2
83.08624	8.6
83.43445	1.2
85.02872	1.7
85.06543	9.3
91.04932	1.5
91.05480	31.3
93.07045	88.9
95.04966	11.7
95.08099	1.5
95.08613	17.8
95.65938	1.3
97.05936	2.0
97.06524	23.7
97.10170	23.8
98.21552	1.7
98.97539	2.6
98.98471	11.0
99.08088	3.3
99.65635	1.3
105.04473	2.0
105.07010	8.1
107.04922	3.8
107.08593	58.5
107.09317	3.1
109.06493	3.6
109.10156	11.0
111.08055	4.1
111.11680	1.9
112.12103	1.3
113.06045	1.4
113.09583	1.3
117.07014	8.6
119.08583	11.6
121.06465	1.6
121.10146	13.0
122.72281	1.5
123.08030	2.0
123.11720	1.7
125.05949	2.4
125.09594	3.9
131.08554	2.4
133.10117	7.2
135.08012	3.7
135.11693	100.0
136.12021	1.6
137.09573	3.7
137.13255	1.3
143.08557	2.0
145.03366	1.4
145.10130	18.6
153.12686	3.6
159.11656	1.4
163.11179	15.0
163.14809	2.1
171.08008	1.4
171.11659	2.0
177.00554	1.5
181.06494	1.7
181.12228	16.6
195.11667	1.5
199.13136	1.6
213.12616	1.3
220.02415	1.3
237.18356	1.8
255.06439	4.2
255.13869	2.1
255.15840	42.4
255.23227	1.9
255.55850	1.2
256.16110	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	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01862	5.2
55.05514	36.2
56.96552	3.8
57.03439	48.9
57.07077	10.1
58.91708	1.2
59.04983	1.6
65.03936	3.4
67.05507	79.8
69.03416	4.1
69.07069	33.0
71.01352	6.7
71.04992	13.8
71.08641	3.2
72.08147	1.6
73.02927	1.6
77.61034	1.5
79.05496	69.0
81.03425	9.7
81.07059	47.2
83.04983	21.6
83.08614	10.7
85.02873	2.9
85.06543	9.3
85.10191	1.8
89.06036	1.6
91.05479	31.5
93.07048	80.2
95.04961	11.2
95.08614	24.6
97.02879	1.7
97.06532	24.3
97.10170	25.3
98.97574	2.4
98.98470	87.2
99.04456	1.8
99.08095	4.4
100.98888	4.9
105.07016	12.3
107.04962	4.1
107.08597	57.6
109.06525	5.4
109.09464	2.2
109.10156	18.6
111.04451	3.1
111.08082	4.8
111.11710	2.8
113.05986	1.7
113.09641	2.6
116.98631	3.3
116.99507	5.4
117.07015	9.0
119.08584	14.1
119.64176	1.2
121.06495	3.2
121.10145	18.8
123.08078	1.6
123.11705	3.6
125.05987	2.1
125.09615	7.0
128.06189	1.5
129.06992	3.0
130.07739	1.9
131.08578	4.1
133.10147	11.5
135.08032	2.7
135.11693	100.0
136.12048	1.3
137.09621	3.3
137.13251	1.2
138.13542	1.3
139.07515	2.8
139.11227	1.5
142.07751	1.5
143.08542	3.1
145.03459	1.7
145.10107	18.3
147.11720	3.4
149.09612	1.7
149.13263	11.0
151.11169	2.5
153.09067	1.7
153.12715	5.4
154.12233	1.5
155.08580	1.8
156.13838	4.4
157.10109	4.2
159.11678	5.0
161.13252	2.0
163.11201	17.2
163.14755	1.9
165.07053	1.5
167.08691	1.2
171.08034	1.8
171.11739	2.8
173.13249	1.3
176.98907	2.3
177.12714	2.7
181.06483	2.6
181.12239	16.5
182.11824	2.3
183.11653	1.4
184.13382	3.1
185.13235	2.2
193.12257	1.6
195.11731	2.1
199.02945	1.5
199.07646	1.5
199.11169	2.9
201.16389	1.5
209.06004	1.4
209.09622	4.1
213.09549	1.5
219.13846	2.6
219.17426	4.6
219.21007	2.6
227.07028	4.5
230.92749	1.4
231.10818	2.3
237.09007	1.5
237.12781	1.9
237.14894	4.4
237.18494	10.9
237.22055	2.3
249.02780	1.4
255.06369	6.1
255.10213	5.4
255.13704	4.0
255.15726	32.9
255.20435	2.1
255.21121	2.1
255.23343	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1955
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.03933	2.9
55.01861	6.8
55.05508	40.0
56.96549	8.3
57.03436	36.2
57.07077	15.1
59.04993	3.4
65.03931	4.3
67.05503	76.3
68.81664	1.9
69.03413	9.1
69.07068	65.4
69.80128	11.5
70.84339	2.0
71.01335	4.9
71.04998	18.5
71.08617	5.6
75.04462	8.8
79.05492	60.4
81.03409	7.0
81.07054	90.6
82.22973	2.1
83.04977	22.3
83.08620	17.3
85.02890	4.3
85.06541	16.4
85.10194	4.2
86.09689	2.1
91.05476	30.5
93.07040	84.5
94.77739	1.9
95.04957	12.2
95.08601	64.7
97.02879	3.6
97.06523	27.2
97.10155	23.1
98.20819	2.1
98.97572	7.6
98.98463	100.0
99.04433	3.9
99.08064	6.1
100.98872	5.8
101.05998	6.4
105.07027	39.7
107.04942	4.8
107.08589	70.4
109.02872	1.9
109.06480	9.9
109.10147	34.3
111.04427	2.9
111.08070	11.4
111.11739	15.2
113.05992	9.1
113.09631	2.6
115.05411	2.7
115.07546	2.5
116.98601	4.4
116.99477	4.3
117.07001	12.2
119.08588	25.9
121.06453	3.6
121.10139	43.1
123.08057	8.2
123.11687	12.8
124.91706	2.0
125.09630	9.9
127.07564	2.4
128.06244	4.0
129.07014	3.4
130.07814	2.7
131.08553	12.2
133.10120	29.4
134.99625	3.6
135.08055	8.5
135.11693	86.9
135.12735	4.1
137.09541	5.3
137.13235	11.1
139.11160	4.0
143.08580	4.3
145.10123	27.7
147.11670	8.3
149.09671	3.8
149.13243	18.1
151.11182	8.2
151.14792	2.8
153.06969	4.0
153.09174	2.0
153.12764	2.2
157.10107	5.2
158.99680	3.1
159.11697	17.3
161.13260	21.2
163.11151	14.3
163.14780	12.9
165.07042	2.6
167.07133	2.1
169.10112	2.9
171.07999	3.4
171.11681	5.1
173.09634	2.7
173.13245	7.8
175.14825	5.3
177.00638	4.1
177.12769	2.6
177.16367	5.7
179.14320	6.4
179.45483	2.0
181.06731	1.9
181.10039	2.0
181.12178	10.6
185.13280	3.6
189.16309	5.4
191.14261	2.9
191.17883	3.5
197.13251	3.3
201.16368	15.5
207.17435	5.5
211.14717	2.4
219.13850	4.1
219.17410	17.2
219.21098	3.2
222.58420	5.9
223.08234	2.0
237.14734	4.1
237.18398	12.7
255.06494	8.8
255.09987	9.4
255.15472	22.4
255.23280	4.2
256.07693	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	255.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01861	6.8
55.05508	40.0
56.96549	8.3
57.03436	36.2
57.07077	15.1
59.04993	3.4
65.03931	4.3
67.05503	76.3
68.81664	1.9
69.03413	9.1
69.07068	65.4
69.80128	11.5
70.84339	2.0
71.01335	4.9
71.04998	18.5
71.08617	5.6
75.04462	8.8
79.05492	60.4
81.03409	7.0
81.07054	90.6
82.22973	2.1
83.04977	22.3
83.08620	17.3
85.02890	4.3
85.06541	16.4
85.10194	4.2
86.09689	2.1
91.05476	30.5
93.07040	84.5
94.77739	1.9
95.04957	12.2
95.08601	64.7
97.02879	3.6
97.06523	27.2
97.10155	23.1
98.20819	2.1
98.97572	7.6
98.98463	100.0
99.04433	3.9
99.08064	6.1
100.98872	5.8
101.05998	6.4
105.07027	39.7
107.04942	4.8
107.08589	70.4
109.02872	1.9
109.06480	9.9
109.10147	34.3
111.04427	2.9
111.08070	11.4
111.11739	15.2
113.05992	9.1
113.09631	2.6
115.05411	2.7
115.07546	2.5
116.98601	4.4
116.99477	4.3
117.07001	12.2
119.08588	25.9
121.06453	3.6
121.10139	43.1
123.08057	8.2
123.11687	12.8
124.91706	2.0
125.09630	9.9
127.07564	2.4
128.06244	4.0
129.07014	3.4
130.07814	2.7
131.08553	12.2
133.10120	29.4
134.99625	3.6
135.08055	8.5
135.11693	86.9
135.12735	4.1
137.09541	5.3
137.13235	11.1
139.11160	4.0
143.08580	4.3
145.10123	27.7
147.11670	8.3
149.09671	3.8
149.13243	18.1
151.11182	8.2
151.14792	2.8
153.06969	4.0
153.09174	2.0
153.12764	2.2
157.10107	5.2
158.99680	3.1
159.11697	17.3
161.13260	21.2
163.11151	14.3
163.14780	12.9
165.07042	2.6
167.07133	2.1
169.10112	2.9
171.07999	3.4
171.11681	5.1
173.09634	2.7
173.13245	7.8
175.14825	5.3
177.00638	4.1
177.12769	2.6
177.16367	5.7
179.14320	6.4
179.45483	2.0
181.06731	1.9
181.10039	2.0
181.12178	10.6
185.13280	3.6
189.16309	5.4
191.14261	2.9
191.17883	3.5
197.13251	3.3
201.16368	15.5
207.17435	5.5
211.14717	2.4
219.13850	4.1
219.17410	17.2
219.21098	3.2
222.58420	5.9
223.08234	2.0
237.14734	4.1
237.18398	12.7
255.06494	8.8
255.09987	9.4
255.15472	22.4
255.23280	4.2
256.07693	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	256.9646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04989	0.9
56.96319	1.3
56.96568	18.3
62.41331	0.9
71.01012	2.5
71.14823	0.8
71.95253	3.4
88.01684	0.9
93.29877	0.9
98.97584	100.0
116.98623	87.4
130.93298	3.3
134.99658	48.1
139.32570	0.9
140.00139	1.5
148.94299	1.8
153.00735	6.9
167.56763	1.0
172.94339	4.8
190.95441	5.5
196.61974	1.0
208.96460	2.8
216.98630	1.1
232.96457	7.6
234.99771	1.1
250.97517	7.7
256.96405	10.9
274.97516	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	257.0809
Annotation	Aloe emodin anthrone
Peak:m/z	Relative Intensity
55.01874	2.1
55.05510	0.3
55.34548	0.1
56.96559	0.4
57.03449	0.1
58.04188	0.1
67.05505	1.3
69.07057	0.3
69.17682	0.1
70.37609	0.2
79.05521	0.2
81.07046	0.4
82.34478	0.1
91.05495	0.3
95.04924	0.2
95.08596	0.4
98.97595	0.7
105.07014	0.3
107.04925	0.4
107.08584	0.2
109.10156	1.3
115.05482	0.6
116.98608	0.9
117.03359	0.2
117.07012	0.3
118.14328	0.1
119.08591	0.3
121.02875	3.0
121.10094	0.1
128.06255	0.2
129.07004	0.4
131.08527	0.5
133.10091	0.2
134.99669	0.8
135.04410	0.4
139.05400	0.2
141.06989	1.9
143.08565	0.2
145.10092	0.6
152.06207	0.4
153.00694	0.2
153.06998	3.7
154.07753	0.4
155.08560	6.1
159.11670	0.2
163.03899	0.3
165.07002	27.6
166.07454	0.6
167.08522	0.5
168.05698	0.8
169.06496	1.0
171.04506	0.2
173.11720	0.3
176.06221	0.5
177.07016	1.0
181.06493	1.1
182.07292	0.8
183.08055	13.6
184.08463	0.2
187.11504	0.2
193.06400	6.5
194.07304	1.3
195.08023	0.3
197.05981	4.7
210.06763	1.5
211.07535	19.9
212.07947	0.3
221.05946	5.9
222.06682	0.1
229.08597	0.4
238.06219	0.2
239.07025	100.0
240.07378	1.9
257.08093	6.7
257.11157	0.3
257.13885	0.4
257.18881	0.7
257.22650	0.2
258.08466	0.2
274.97516	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	257.081
Annotation	Aloe emodin anthrone
Peak:m/z	Relative Intensity
55.01877	1.8
58.60189	0.2
61.16867	0.2
67.05512	0.3
70.02388	0.2
70.42945	0.5
73.58080	0.2
87.32800	0.2
91.05484	0.4
93.66615	0.2
95.04999	0.3
95.08615	0.2
98.21461	0.2
98.97607	0.3
100.11845	0.2
105.03414	0.3
107.04941	0.4
115.05454	0.7
117.03392	0.4
121.02863	3.2
129.07002	0.4
135.04417	0.6
141.07001	2.0
145.06587	0.2
152.06226	0.7
153.06982	4.4
154.07724	0.6
155.08548	6.7
163.03914	0.5
165.07001	29.4
166.07584	0.4
167.08583	0.5
168.05746	0.5
169.06435	1.2
176.06223	0.3
177.07016	1.3
181.06522	1.4
182.07271	0.7
183.08054	16.0
184.08368	0.2
192.05722	0.3
193.04654	0.3
193.04958	0.2
193.06398	7.9
194.07294	1.3
197.05977	4.7
210.06732	1.8
211.07533	21.7
212.07884	0.4
221.05933	5.7
222.06642	0.3
229.08571	0.7
239.07027	100.0
240.07370	1.8
252.48282	0.2
257.08105	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	257.0808
Annotation	Aloe emodin anthrone
Peak:m/z	Relative Intensity
55.01873	1.7
59.18119	0.3
62.71948	0.4
63.65691	0.3
65.47620	0.4
66.12914	0.3
69.64735	2.1
91.32958	0.3
98.21534	0.4
99.99054	0.3
99.99763	0.4
104.04128	0.3
121.02869	2.2
135.04430	0.5
141.06981	1.4
153.06985	3.6
155.08548	4.7
158.31227	0.3
158.76436	0.3
165.07002	24.9
166.07404	0.6
168.05751	0.7
169.06451	0.7
172.08113	0.3
177.06990	1.2
181.06462	1.4
182.07268	0.8
183.08058	13.4
193.06425	5.8
194.07220	1.1
195.71222	0.4
197.06000	4.4
210.06708	0.9
211.07541	18.4
221.05952	4.7
229.08693	0.6
239.07030	100.0
240.07300	1.7
251.99583	0.6
257.08066	6.9
257.18958	0.5
270.00430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03938	2.1
55.01880	0.9
55.05504	1.8
56.42218	0.6
56.96565	0.8
57.03435	1.6
59.04989	2.1
60.23545	0.6
60.29591	0.7
64.05817	0.6
65.03941	1.0
67.05503	4.4
69.03427	2.1
69.07073	1.2
70.06588	0.8
71.01336	0.8
71.04981	1.4
79.05499	3.2
81.03414	0.9
81.07063	3.6
83.04974	1.8
83.08563	0.7
85.02913	0.9
85.06540	1.9
86.09723	1.1
91.05476	7.3
93.07043	2.3
94.04191	0.8
95.01332	1.9
95.04967	31.6
97.02895	1.5
105.03428	1.3
105.07005	1.0
107.08615	1.3
109.02854	0.7
109.06528	8.3
109.10167	0.9
111.04440	3.5
116.98642	0.7
119.04956	4.4
119.08607	0.9
121.06493	1.1
123.00782	8.1
123.04436	12.7
127.03916	0.9
127.07591	1.4
128.18369	0.7
129.05479	0.9
131.03461	0.7
133.02870	1.4
133.06606	0.8
133.10127	0.6
135.04443	0.9
136.06129	0.7
137.05984	6.8
139.03900	84.6
141.01823	1.7
141.05464	2.6
147.04434	4.3
151.03903	27.1
151.07480	1.0
155.03404	3.5
155.07031	20.4
155.08354	1.0
156.13863	1.4
157.10027	0.6
159.63443	0.7
165.05481	100.0
166.05797	1.4
168.07843	0.6
169.08577	2.3
175.03934	1.6
175.77176	0.6
179.07062	1.5
181.04964	4.3
183.06537	5.0
183.07999	1.4
193.04967	7.5
193.06567	1.1
197.08078	4.1
201.04306	1.8
207.06482	6.0
211.07581	1.8
219.05333	1.0
225.07567	13.7
239.07028	5.3
239.09123	1.1
257.08038	1.7
257.10251	14.0
257.12704	0.9
257.16293	0.8
257.22308	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	257.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01866	0.6
55.05511	2.7
56.96567	3.0
57.03436	0.6
57.07091	0.5
65.03934	4.0
67.05508	7.8
69.03443	0.8
69.07074	2.4
71.00331	1.2
71.05010	0.8
77.68298	0.6
79.05487	2.5
81.07055	3.2
82.02963	0.6
83.04987	0.8
83.08615	1.1
85.06519	0.8
91.05474	2.5
92.05005	5.1
93.07045	1.9
94.06561	1.9
95.04964	2.0
95.08599	3.2
97.06555	3.3
98.97586	2.6
103.05450	0.7
105.07041	3.2
106.06537	0.8
107.08582	1.9
108.08102	1.0
109.10168	4.9
110.06020	1.2
114.01530	0.6
115.05454	1.2
116.98625	3.0
117.05762	0.7
117.07034	2.4
119.08608	2.3
120.04469	3.4
120.08105	0.6
121.10158	0.8
122.06010	2.9
123.08043	0.6
123.11700	1.1
128.06194	0.9
129.07018	3.3
130.06532	1.4
131.07646	0.6
131.08548	4.3
132.08107	1.2
133.06534	0.6
133.10129	1.5
134.99635	2.9
135.06776	1.0
135.11713	1.0
136.07594	1.5
141.07016	1.5
142.06552	0.9
142.07790	1.5
143.07430	1.1
143.08589	3.4
144.08116	1.3
145.06483	0.9
145.09004	0.9
145.10110	8.4
146.06035	0.8
146.09615	0.8
147.11734	1.2
153.00797	0.8
153.06996	0.7
154.06497	1.8
154.07809	1.5
155.07391	0.7
155.08578	2.1
156.08078	1.3
157.08899	0.9
157.10139	2.2
158.01268	0.7
158.06026	1.2
158.09663	1.0
159.06828	0.9
159.08037	1.2
159.09203	1.2
159.11725	2.4
160.07645	2.6
161.05992	2.4
165.07028	1.2
167.08617	0.9
168.08131	1.8
169.08867	4.3
169.10162	2.1
170.06039	0.7
170.09682	1.6
171.09167	1.5
171.10439	1.7
171.11732	2.5
172.07596	1.8
172.09917	3.0
173.05908	1.0
173.08365	1.1
173.11914	0.9
173.13293	1.7
174.09108	1.4
176.10872	0.6
182.06006	0.9
183.06799	1.2
183.09253	1.0
183.11739	1.5
184.07605	3.7
184.11179	6.0
185.07182	2.0
185.10764	5.6
185.13248	1.4
186.09210	1.0
186.09845	0.9
186.11499	8.6
186.12894	0.8
187.08717	5.2
188.10698	1.2
195.11612	0.6
196.07654	1.0
196.10030	0.9
197.08328	5.9
197.13231	0.9
197.15479	0.6
198.09154	1.2
199.08578	6.0
199.14790	0.7
200.09438	8.6
200.13121	1.1
201.10423	2.8
201.13904	14.9
202.12326	1.1
211.07246	1.0
211.08936	1.1
211.14835	0.8
212.08887	0.8
212.10739	12.1
213.06595	7.0
213.10185	7.0
214.07358	1.5
214.10789	8.8
214.12683	1.4
215.14316	0.6
224.09425	0.6
227.08147	6.2
227.11754	0.6
228.08910	10.5
229.09894	17.5
229.13361	55.2
230.13747	1.2
239.07101	3.1
239.11971	1.3
239.17970	2.9
240.10268	3.4
240.12384	0.8
241.09695	7.6
242.10516	9.8
257.08240	3.1
257.12872	100.0
257.18979	7.8
257.22650	1.3
258.13058	1.6
274.97513	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	257.1284
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03936	1.0
55.01873	1.2
55.05499	3.0
56.96562	2.7
57.03426	1.2
57.07066	1.4
60.33449	0.8
65.03940	4.6
67.05508	10.3
69.03409	1.1
69.07054	3.1
69.79736	3.9
71.04972	0.7
79.05478	2.1
81.07052	3.9
82.02935	1.2
83.04932	0.9
83.08609	1.4
85.06547	0.7
91.05480	2.5
91.38708	0.6
92.05008	6.0
93.07056	2.4
93.71178	0.7
94.06565	2.5
95.04976	1.8
95.08601	3.1
97.06528	3.8
97.10162	0.9
98.97599	2.2
105.07005	3.8
106.06468	0.8
107.08608	1.7
109.06476	0.9
109.10162	6.3
110.06046	1.4
115.05479	1.6
116.98632	3.5
117.05720	0.9
117.07032	1.7
118.06534	0.8
119.08564	2.2
120.04491	2.2
121.10147	1.6
122.06021	2.8
123.11649	1.0
128.06197	1.9
129.07002	3.8
130.06464	1.6
131.07300	0.9
131.08588	3.2
132.08112	1.2
133.10141	1.7
134.99658	3.8
135.06850	1.0
136.07584	1.7
137.09676	0.9
141.07001	1.4
142.06578	0.8
142.07809	1.0
143.07425	1.3
143.08578	3.7
144.08070	2.2
145.06529	1.3
145.10133	3.4
146.06000	1.1
146.09671	0.7
147.11673	0.7
153.06940	1.1
154.06526	2.5
154.07675	1.7
155.07315	1.3
155.08575	1.9
156.08086	3.3
157.07689	0.8
157.08948	1.2
157.10172	1.9
158.06017	0.9
159.08017	1.1
159.09209	1.5
159.11731	2.0
160.07625	2.3
161.06012	3.0
162.09195	0.8
165.07111	1.3
165.12842	0.6
167.07280	0.8
168.06880	0.8
168.08150	3.8
169.08870	5.9
169.10181	1.7
170.09752	1.8
171.09177	3.1
171.10420	1.1
171.11681	1.1
172.07639	1.6
172.09940	3.4
173.05969	1.2
173.08372	1.0
173.11923	0.9
173.13283	2.2
174.09120	1.5
182.06004	1.3
183.06758	1.4
183.09239	2.4
183.11703	1.6
184.07642	4.6
184.11194	9.2
185.07115	4.0
185.10756	5.8
186.11513	9.6
186.12975	1.4
187.08681	2.9
187.11227	1.1
195.03650	0.7
196.07646	1.5
196.10005	1.3
197.08368	9.1
197.13321	1.0
198.07767	0.9
199.08611	8.0
200.09413	18.0
200.13144	0.9
201.10327	3.7
201.13884	14.8
202.12321	1.1
209.07054	1.1
211.08667	2.8
211.12341	2.0
212.10722	14.0
213.06644	9.3
213.10197	12.4
214.07446	2.2
214.10893	10.2
224.09480	3.1
227.08156	10.0
228.08891	30.6
229.09810	26.8
229.13351	52.2
230.13713	0.9
239.07091	2.8
239.11906	4.2
239.17953	1.4
240.10266	4.9
241.09718	19.6
242.10503	40.6
243.10829	1.0
257.08054	3.7
257.12875	100.0
257.26605	1.2
258.13269	2.0
274.97571	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	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77737	0.5
51.87355	0.6
53.03924	0.8
55.01866	2.0
55.05497	0.9
56.96548	0.9
57.03434	5.7
58.85009	0.7
67.05512	1.1
69.03414	1.0
69.07038	0.6
71.49068	0.8
75.04494	3.0
79.05494	4.8
81.03422	1.4
81.07052	1.6
84.08151	0.9
86.09706	0.8
91.05485	2.8
93.07037	1.3
94.04182	1.5
95.04966	1.7
97.02930	0.7
103.05466	2.9
105.07031	31.0
107.04957	2.7
109.06512	1.1
109.10154	0.6
115.05450	0.8
116.98599	0.7
117.07083	0.7
119.08585	1.9
121.06467	0.8
122.03671	3.8
124.05234	0.7
133.06493	47.9
134.06863	1.2
137.05980	100.0
138.06334	1.4
143.08554	0.9
145.06505	0.8
147.04399	0.6
151.07516	0.9
163.07556	3.8
165.07014	1.5
165.09123	26.8
175.07587	3.2
177.09120	1.5
180.07890	0.9
181.08626	1.4
183.10164	4.3
187.85023	0.6
193.06543	1.4
203.10658	1.9
209.11714	1.3
211.07635	1.0
221.11707	2.0
221.72556	0.7
225.09193	1.2
234.98924	1.9
239.07086	1.0
251.99741	0.6
257.08920	1.2
257.11844	2.1
257.19202	1.1
257.26608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.56470	0.8
55.05518	7.7
55.44246	0.7
56.96557	2.5
57.03422	3.1
57.07067	2.1
57.85226	0.9
65.03934	1.4
66.21078	0.9
67.05507	18.4
69.07071	6.6
70.28843	4.1
71.04987	3.6
79.05492	8.6
81.07053	15.8
83.04977	2.2
83.08618	4.4
85.06534	3.5
91.05478	15.3
93.07034	8.6
95.04948	3.1
95.08599	14.9
97.06528	3.0
97.10178	1.5
98.21429	1.2
98.97571	4.1
99.08063	1.1
104.01514	0.8
105.07027	17.0
107.04936	1.2
107.08594	8.7
109.06497	4.4
109.10146	9.7
111.08084	2.0
115.05449	2.8
116.06218	1.6
116.98620	6.1
117.07011	23.0
119.08579	14.7
121.10136	12.5
123.08080	2.2
123.11774	1.0
125.09627	1.1
128.06226	3.9
129.07013	15.2
130.07788	3.9
131.08562	41.7
133.06538	1.5
133.10150	10.0
134.99635	5.3
135.08080	4.6
135.11711	2.2
137.09613	3.1
141.07028	4.5
142.07829	5.1
143.08556	16.8
144.09328	2.7
145.06464	1.4
145.10121	53.1
147.08029	3.2
147.11696	5.9
149.09618	3.2
154.07726	1.6
155.08557	9.6
156.09355	3.0
157.10124	26.2
158.10895	3.6
159.08063	3.3
159.11687	36.9
161.09625	4.3
161.13243	3.2
163.11121	3.1
165.07088	1.1
167.08618	1.1
168.09344	3.3
169.10114	13.8
170.10869	1.1
171.11679	19.6
173.09650	4.8
173.13260	21.9
174.14003	2.0
175.11195	6.3
175.14790	2.1
181.10149	1.3
182.10915	1.9
183.11710	19.6
184.12392	2.0
185.13264	10.6
187.11198	5.3
187.14801	4.7
188.12048	0.9
189.12733	1.8
195.11679	1.4
196.12421	1.8
197.13240	15.1
199.14795	12.2
201.12677	7.6
209.13318	1.2
210.13995	2.0
211.07568	1.5
211.14790	3.4
213.16374	8.5
214.17067	1.4
215.14331	3.4
215.17886	5.3
229.19484	3.0
236.24167	0.9
239.07030	4.2
239.17949	32.1
245.66255	0.9
257.19000	100.0
257.26712	4.6
258.19376	1.0
274.97504	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05507	11.3
56.96571	7.2
57.03436	2.6
57.07056	1.8
57.92749	1.4
64.34006	1.3
67.05502	40.1
69.07075	8.1
71.04977	3.9
71.34210	1.5
71.34548	2.0
79.05498	9.1
81.07056	27.4
83.08616	5.6
85.06537	4.4
91.05476	21.7
93.07050	7.4
95.08596	7.0
98.80207	1.6
98.97574	14.1
105.07037	15.1
106.94547	1.4
107.04943	1.9
107.08605	4.4
109.10159	11.1
115.05460	5.7
116.06231	4.2
116.98611	17.9
117.07018	50.6
119.08567	7.8
121.10148	5.7
125.09612	1.7
128.06247	7.8
129.07005	45.8
130.07785	4.3
131.08565	84.7
133.06454	2.7
133.10127	10.6
134.99657	17.7
141.06985	20.6
142.07764	5.9
143.08560	31.4
145.10121	100.0
147.11655	2.3
149.09689	1.8
153.00713	3.8
153.06982	3.3
154.07761	4.8
155.08557	20.6
156.09386	2.8
157.10129	32.1
158.01233	2.0
159.08022	5.0
159.11690	49.4
159.94299	1.5
161.09642	1.8
165.07056	2.4
167.08565	2.6
168.09380	3.8
169.10126	21.9
171.11684	46.1
173.09543	2.3
173.11833	2.3
173.13257	20.7
175.11177	3.9
181.10152	2.6
183.11710	40.2
185.13246	7.3
187.11201	2.5
189.12686	1.7
190.95340	2.0
195.11688	1.7
196.12323	1.6
197.13264	27.5
199.14780	2.2
211.14767	7.3
213.16409	2.5
220.00160	1.7
229.19455	2.1
239.07037	11.8
239.17935	55.5
246.28645	1.7
250.97490	1.7
257.07922	1.7
257.13507	2.2
257.19006	72.4
257.26578	7.2
269.50656	1.7
274.97531	13.9
279.96979	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.87405	1.4
52.72898	1.3
53.82372	1.3
55.05513	11.2
56.96539	3.0
57.03440	3.8
57.07063	1.9
63.03694	1.2
65.03970	2.2
67.05505	28.4
68.05312	1.6
69.07059	7.7
70.94178	1.4
71.04983	4.0
79.05499	12.4
81.07062	17.1
83.08620	4.3
85.06537	2.8
91.05476	19.1
93.07039	13.4
95.04990	2.4
95.08616	9.6
97.06496	2.3
98.97570	5.9
105.07032	23.3
107.08588	10.8
109.06521	4.5
109.10152	11.9
111.08131	2.0
115.05460	3.4
116.06233	3.2
116.86672	1.3
116.98647	2.2
117.07017	32.2
119.08585	14.6
121.06548	1.6
121.10148	52.6
123.08086	2.8
128.06247	7.6
129.07008	20.9
130.07764	6.2
131.08566	64.8
133.10152	10.9
134.99657	3.5
135.08051	10.2
135.11676	2.6
137.09618	2.5
141.07025	10.8
142.07788	7.3
143.08572	30.8
144.86400	1.5
145.06499	3.0
145.10126	90.5
147.08006	2.4
147.11684	3.7
149.09578	3.7
151.11240	1.8
154.07796	2.2
155.08557	12.0
156.09343	3.5
157.10153	24.9
158.10902	1.9
159.08002	2.8
159.11699	36.4
161.09685	3.8
161.13231	2.1
163.11180	1.7
169.10139	17.9
171.11696	35.7
173.09602	3.4
173.13278	21.0
175.11206	2.8
177.12779	1.7
181.10152	1.7
182.10919	2.7
183.11687	26.7
185.13257	6.4
187.11201	4.0
196.12498	2.6
197.13271	21.7
198.14134	1.5
199.14821	20.4
201.12715	2.2
211.14838	3.9
213.16356	7.4
215.17958	3.6
229.19473	3.5
239.07040	4.1
239.17943	34.9
254.25807	1.6
257.11420	3.1
257.19019	100.0
257.26688	3.8
272.40085	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05502	7.9
56.81797	2.3
56.96555	3.0
67.05503	10.1
69.07053	5.2
69.72489	12.2
79.05504	4.6
81.07037	7.1
85.06538	2.4
91.05480	8.5
92.15143	1.9
93.07047	13.6
95.04967	4.3
95.08607	10.3
97.06485	2.7
98.21425	3.2
98.97575	6.7
102.74313	1.9
105.07014	21.3
107.08607	11.8
109.06506	4.6
109.10166	9.8
109.60200	1.8
115.05426	2.2
116.98621	5.2
117.07001	8.4
119.08576	16.1
121.10143	54.2
123.08080	4.8
128.06210	2.3
129.06978	8.5
131.08559	17.1
133.10133	7.6
134.99664	2.3
135.08049	12.1
135.11664	3.3
137.09619	4.1
141.06987	3.4
142.07797	4.2
143.08574	16.5
144.09303	2.6
145.10109	27.2
147.08109	2.6
147.11676	3.2
149.09587	3.9
155.08565	5.8
156.09351	2.7
157.10156	21.8
158.10873	2.7
159.11711	20.4
161.09619	2.6
161.13283	3.0
163.11180	4.2
168.09389	3.7
169.10075	11.7
170.10872	3.5
171.11647	13.9
173.09517	2.2
173.13260	17.9
175.14775	2.5
175.38647	2.3
177.12752	3.5
183.11674	9.0
184.12444	2.7
184.24542	1.9
185.13249	4.7
187.11124	5.3
193.33862	2.0
197.13293	8.0
199.14798	27.0
201.12767	4.2
211.14778	2.6
213.16357	8.2
214.17200	3.8
215.17987	7.1
231.66167	1.9
239.07040	3.7
239.17982	13.6
257.19009	100.0
257.26669	6.9
258.27924	4.0
274.97507	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01881	2.7
55.05515	11.9
56.96555	4.2
57.03420	4.5
57.07061	3.9
67.05505	45.1
69.07063	11.9
70.19088	4.5
71.04993	5.3
72.18374	1.6
79.05497	10.6
81.07059	28.7
82.50080	1.4
83.08606	6.0
85.06541	4.8
91.05490	23.4
93.07049	7.2
95.04969	3.3
95.08614	15.8
98.97569	9.4
102.99259	1.9
103.05517	2.3
105.07029	18.8
107.08578	5.5
109.10169	20.8
115.05461	5.4
116.06284	2.7
116.98605	14.2
117.07015	51.9
119.08585	14.1
121.06533	2.0
121.10137	5.9
123.73241	1.6
128.06216	6.3
129.07001	44.0
130.07791	3.4
131.08566	100.0
131.27298	2.0
133.06499	4.6
133.10129	15.6
134.99655	19.3
135.08064	2.7
135.11694	2.8
137.09676	2.0
141.06993	18.3
142.07771	7.8
143.08563	22.2
145.06451	4.6
145.10112	48.4
145.11188	3.1
147.08043	4.4
147.11646	4.7
149.09647	5.3
153.00752	4.3
153.06961	2.2
154.07751	4.0
155.08563	18.3
156.09314	2.3
157.10133	32.1
158.01212	2.9
159.08009	7.7
159.11687	43.3
161.09644	4.0
161.13269	2.0
162.09769	1.7
164.89517	1.9
165.06972	5.0
169.10144	21.8
171.11684	39.5
173.09654	5.8
173.11787	3.4
173.13275	15.4
175.11179	6.9
181.10156	2.0
183.08104	2.1
183.11690	32.1
185.13283	6.9
187.11159	4.1
187.14896	2.6
190.96336	2.9
195.11777	2.6
196.12465	2.4
197.13231	24.4
199.14832	3.9
201.12761	3.5
201.16298	1.8
211.07602	2.8
211.14845	5.4
213.16373	3.0
229.19485	3.6
232.96461	2.3
239.07063	13.4
239.17929	47.5
257.08133	2.3
257.13586	3.8
257.19022	78.5
257.26605	4.7
274.97485	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	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.59156	0.5
53.03928	0.9
55.01861	1.9
55.05279	0.7
55.05513	8.8
57.03425	1.4
57.07053	1.2
63.15678	0.6
65.03943	1.2
67.05147	0.7
67.05506	11.9
69.03391	0.9
69.07062	5.4
69.48788	4.1
73.43111	0.5
79.05492	11.4
81.06605	1.0
81.07054	13.0
83.04987	3.2
83.08607	2.9
85.06520	0.7
91.04917	0.9
91.05479	17.0
93.06500	0.8
93.07043	10.9
95.04948	2.7
95.08601	10.3
97.06510	1.5
97.10162	0.7
98.97555	2.1
103.05427	1.0
105.06320	1.1
105.07024	17.8
107.04947	4.6
107.08595	8.2
109.06508	3.7
109.10161	3.3
111.08070	0.6
115.05441	2.2
116.06204	1.2
116.98608	1.6
117.07016	10.5
119.08577	9.3
121.06495	3.9
121.10139	5.0
123.08057	1.5
123.11655	0.7
128.06216	2.5
129.06985	6.3
130.07787	2.2
131.04935	1.6
131.08568	31.8
133.06493	10.1
133.10121	7.8
134.99622	1.3
135.08043	2.2
135.11679	1.9
137.09645	1.1
141.06982	4.0
142.07744	1.7
143.08545	10.5
144.05676	1.9
144.09280	0.9
145.06482	11.7
145.10115	22.4
146.07237	1.3
147.08046	10.9
147.11685	4.3
149.09618	1.8
149.13210	0.6
155.08566	6.6
157.10127	10.3
158.07269	2.0
159.08066	11.2
159.11687	11.8
161.09610	13.4
161.13271	1.5
163.11179	2.3
168.09427	0.9
169.10133	5.2
171.11710	6.1
173.09622	15.4
173.13232	4.7
175.11176	8.4
175.14844	0.8
177.12764	1.3
181.10095	0.7
183.11662	6.7
185.13278	2.5
187.11183	8.5
187.14769	1.8
189.12720	3.0
197.13264	5.4
199.14850	1.7
201.12732	6.4
211.07484	0.7
211.14861	0.6
213.16440	3.1
215.14336	3.7
215.17947	1.7
229.15891	1.1
229.19498	5.0
239.07016	1.0
239.17949	10.7
257.19000	100.0
258.19354	2.1
274.97543	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	258.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33708	0.3
54.98669	0.6
56.96566	12.0
61.53364	0.3
61.88726	0.3
71.48646	0.5
71.95270	2.1
73.16331	0.3
90.93874	0.3
98.97584	95.4
100.97198	1.0
101.29988	0.3
116.98623	81.6
117.98976	0.6
118.98225	0.4
118.99014	0.5
119.01879	0.4
134.99658	43.1
136.99188	0.7
137.00124	0.5
140.00151	0.9
153.00705	6.6
156.92972	0.4
158.01292	1.0
163.73929	0.4
177.00961	0.5
179.50764	0.3
181.97264	0.4
216.98599	0.6
219.02095	2.5
220.02220	0.7
225.96394	0.4
234.99748	1.5
235.65361	0.4
240.98615	4.6
258.99759	50.2
259.99884	1.2
261.02960	0.4
265.82269	0.4
277.00809	100.0
278.00870	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	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.2
56.05019	2.2
56.79579	1.1
56.96571	7.5
57.03430	2.1
67.04250	1.5
69.03426	3.1
70.06589	4.4
71.04984	1.8
71.48338	1.4
72.08148	4.7
73.02918	1.5
84.04501	3.5
84.08138	7.8
85.02890	6.2
86.09695	5.3
92.73624	1.2
94.58887	1.5
95.04926	1.3
97.02877	5.8
97.06548	1.9
98.97576	3.4
99.04450	1.7
100.02205	23.4
100.07610	3.7
110.09686	1.2
114.05540	1.4
116.98622	3.1
119.01898	4.6
128.98579	2.4
129.05519	1.4
129.10236	2.7
131.01808	1.8
133.03557	2.8
134.99625	2.5
135.36644	1.1
137.02100	2.0
139.00012	3.7
140.98412	1.4
146.02699	32.1
146.99658	1.8
147.06693	1.7
148.03859	1.4
158.99605	2.1
165.60936	1.5
169.06046	2.9
174.03615	2.1
177.00699	3.7
177.02573	1.2
177.04243	1.4
177.05920	1.5
177.56038	1.4
178.04854	1.8
193.00278	2.3
199.02122	20.6
201.41937	1.3
213.06955	4.8
217.01897	2.4
231.06509	1.8
235.03111	2.3
237.02786	2.2
241.03233	11.2
259.04257	100.0
259.07220	6.3
259.16617	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	259.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03478	0.4
54.47733	0.3
54.61177	0.4
55.01862	0.4
55.43891	0.3
56.05023	0.7
56.96547	1.4
57.07054	0.5
58.99575	0.5
67.04250	2.2
67.05508	0.4
69.03407	1.0
70.06577	1.3
70.45469	0.7
71.04985	0.5
72.08138	1.1
73.01150	0.7
73.02924	0.4
74.00662	7.1
79.05470	0.5
81.03399	0.4
81.07030	0.5
83.04944	0.5
84.04480	1.0
84.08138	2.6
85.02891	1.0
86.06047	0.4
86.09716	1.7
91.05473	0.4
95.04967	0.4
97.02888	1.8
97.06502	0.9
98.97580	1.3
100.02198	96.5
100.07612	1.2
105.07008	0.4
112.03930	0.3
114.05516	0.9
116.10760	0.4
116.98634	1.4
118.03238	4.4
120.01161	0.5
127.03909	0.4
127.04971	0.4
129.01921	0.7
129.10187	0.5
130.06509	0.8
131.01878	0.4
134.99654	0.5
135.04451	0.5
139.03935	0.4
144.05681	0.4
146.02699	100.0
146.99651	0.5
147.03036	0.9
157.07640	0.6
161.05919	0.5
163.03912	0.5
177.00769	1.3
185.05940	0.5
187.07603	1.1
196.04301	0.5
213.06932	23.2
231.02956	1.4
231.06506	0.4
235.01308	0.4
236.07280	0.3
259.07596	28.0
259.13483	1.2
259.16891	0.9
259.20486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0965
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
53.03937	0.8
55.01876	4.5
55.05509	0.9
57.03461	0.5
59.11608	0.4
67.05502	1.9
69.07067	22.7
69.26262	1.0
69.26661	4.1
77.03915	0.7
79.05495	8.5
81.07047	1.4
83.04969	0.7
89.03915	11.3
91.05470	0.7
95.04979	1.7
97.06528	29.6
103.05473	0.5
105.03385	1.1
105.43156	0.4
106.04179	0.5
107.04962	3.5
117.03377	13.5
128.85773	0.4
129.07013	0.6
131.04858	0.5
133.02866	2.1
134.03630	4.9
135.04411	24.5
145.02850	13.9
145.03987	0.4
146.03632	0.5
147.04396	0.6
157.06535	0.5
157.10068	0.5
159.04413	0.9
161.02315	2.7
162.03093	1.4
163.03897	100.0
164.04283	0.9
167.08533	0.6
171.04402	0.9
173.02353	3.5
185.05901	0.4
186.05559	0.4
187.03972	0.5
191.03427	4.3
199.03992	0.7
199.07643	0.6
204.04259	0.7
213.09041	0.6
215.07022	4.6
217.04942	15.4
241.08569	2.2
259.09634	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	259.0965
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
51.06509	0.6
52.43702	0.6
54.18159	0.5
55.01868	4.9
55.05507	2.3
56.51669	0.6
57.03439	1.5
59.11435	0.6
65.60934	0.5
67.05497	3.6
69.03426	1.4
69.07072	19.3
69.57972	0.6
69.92609	0.5
70.19126	0.5
70.81139	1.1
70.81449	0.7
79.05499	15.1
89.03913	7.4
91.05491	1.6
95.04988	2.1
97.06531	100.0
101.95744	0.7
103.05502	0.7
105.03409	1.2
105.60754	0.7
107.04961	2.3
108.93401	0.6
115.05413	0.8
117.03370	8.5
117.06955	0.8
119.04972	0.6
128.06219	0.7
131.04936	0.9
133.02863	5.4
134.03677	1.5
135.04419	13.8
135.43309	0.7
141.06982	1.2
145.02856	10.3
147.04439	2.6
157.06439	0.7
159.04366	5.7
161.02350	19.6
161.05946	0.9
163.03905	61.8
164.04268	0.9
169.06575	1.0
171.04288	0.8
173.02341	42.3
173.05942	1.2
175.03946	1.8
185.05974	2.3
186.03125	1.3
187.03911	1.4
187.07568	1.0
189.01701	0.7
189.05551	1.1
191.03351	0.9
193.04903	0.8
195.08022	1.6
197.06010	1.1
199.07614	0.7
201.76965	0.7
207.02911	4.5
212.04712	0.7
213.09079	1.3
215.07034	50.8
215.10501	1.6
216.07637	0.6
217.04948	3.1
241.08572	3.2
259.09653	28.2
259.16980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0966
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
52.61958	0.5
53.03952	1.0
55.01871	5.5
55.05511	1.5
57.03431	2.3
67.05494	3.8
67.55019	0.5
69.03426	1.0
69.06689	0.8
69.07069	15.8
69.37721	3.9
69.38136	1.0
77.03907	0.8
78.00952	0.5
79.05028	0.7
79.05495	14.9
81.03432	0.5
89.03919	8.8
90.21371	0.5
91.05482	1.0
95.04972	2.0
97.06528	100.0
98.06801	0.5
98.21541	1.2
103.05460	0.7
105.03384	1.0
105.07001	0.6
107.04949	1.8
115.05463	0.9
117.03374	7.5
119.04935	0.7
131.04945	1.2
131.08560	0.6
133.02844	5.5
134.03607	0.9
135.04428	10.5
143.04916	0.8
145.02859	7.1
147.04402	1.5
157.06462	0.6
159.04425	4.9
159.08098	0.7
161.02341	20.5
161.05896	0.7
162.65778	0.6
163.03902	48.1
169.06483	1.1
173.02341	43.6
173.05569	0.9
173.05858	1.2
174.02719	0.6
174.40598	0.5
175.03864	0.9
179.13640	0.5
185.05962	2.3
186.03120	1.4
187.03941	1.2
187.07510	1.1
189.05421	0.6
191.03424	0.6
195.08066	1.0
197.05914	0.9
203.07199	0.5
215.07024	51.4
215.10565	1.6
216.07341	0.6
217.04930	2.2
241.08609	1.4
259.09662	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	259.0966
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
53.03951	1.1
55.01872	4.0
55.05523	1.3
57.03430	2.3
58.25191	0.4
58.25527	0.4
60.77328	0.6
65.03943	0.5
67.05514	3.0
67.62681	0.5
69.03426	2.0
69.07069	15.7
69.46516	0.4
70.52683	1.6
74.42608	0.5
79.05497	13.8
79.91331	0.4
86.31605	0.4
89.03917	8.3
95.04975	1.9
97.06532	100.0
98.06878	1.0
105.03372	0.9
105.04530	0.5
107.04962	2.0
117.03372	6.9
119.04951	0.6
131.04900	0.6
133.02849	5.4
134.03633	1.1
135.04413	10.6
145.02841	7.1
147.04416	1.5
159.04425	6.0
161.00980	1.0
161.02339	21.1
163.03908	46.8
173.02348	48.2
175.03874	0.6
185.06006	1.3
186.03162	1.8
187.03952	1.6
189.05469	1.1
197.05972	0.9
199.03899	0.8
215.07027	49.7
216.07335	1.3
217.04869	0.6
241.08647	1.7
259.09662	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	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34470	1.2
53.03943	2.1
53.73364	1.2
55.01860	3.3
55.05513	14.2
56.96563	4.2
57.03426	1.7
57.07072	6.3
58.81099	1.3
65.03970	1.7
67.05509	25.2
69.07070	14.2
71.04983	1.6
71.08631	12.1
71.49954	1.3
79.05495	26.4
79.98058	1.1
81.07057	26.7
83.05006	1.6
83.08616	5.9
85.06557	1.9
89.03899	1.8
91.05481	37.0
93.07046	18.3
95.04977	3.4
95.08616	20.3
97.06532	27.5
97.10191	2.2
99.08095	10.9
103.05449	3.1
105.03435	1.9
105.07030	82.2
107.04953	3.0
107.08585	8.0
109.06537	2.1
109.10162	8.0
111.08070	2.2
115.05426	2.9
117.03408	2.3
117.07018	26.5
119.08585	29.6
121.06490	3.4
121.10135	9.2
123.08044	3.5
123.11694	2.4
123.67122	1.3
128.06218	5.3
129.01826	2.5
129.07011	18.4
130.07777	2.2
131.08574	25.0
133.06482	4.7
133.10126	25.1
135.08034	4.6
135.11705	5.6
141.06978	3.1
142.03247	2.0
142.07759	3.9
143.08571	28.5
145.02818	2.1
145.10112	35.5
147.08029	4.3
147.11685	32.1
149.09563	1.8
149.13257	3.1
157.10126	16.6
159.04398	1.4
159.11696	17.2
161.02324	3.0
161.06026	2.3
161.09648	2.6
161.13258	31.1
163.03889	13.8
163.11194	2.4
163.14807	1.5
170.10938	1.7
171.11687	17.2
173.02313	8.3
173.13254	22.6
175.11217	7.6
175.14830	10.6
177.12753	4.2
183.11708	1.7
185.13242	19.3
187.14816	5.8
188.12073	1.5
189.12733	7.6
189.16464	1.7
190.95198	1.8
199.14848	14.1
201.16379	2.2
203.14304	2.8
213.12578	1.4
213.16351	4.3
215.07039	10.0
217.19859	1.3
231.21045	3.1
241.19516	43.4
255.14354	1.5
259.09607	4.9
259.17267	4.0
259.20578	100.0
260.20969	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	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.1
55.05497	10.7
57.07055	2.7
60.52691	1.7
67.05504	9.5
69.07059	28.5
71.04991	16.3
72.09625	1.7
79.05476	7.3
81.07057	17.3
83.04971	3.9
83.08601	6.6
85.06186	1.6
85.06542	16.7
91.05463	6.9
93.07038	14.5
95.04952	4.6
95.08600	15.7
97.06518	10.2
97.10165	2.9
98.21582	2.5
105.03372	6.2
105.07027	26.6
107.08570	16.0
109.06484	3.6
109.10151	13.0
111.08062	9.1
111.60930	2.0
114.98611	1.7
115.05476	2.0
117.07004	4.3
119.08575	40.3
121.10140	12.6
123.08047	2.8
123.11700	20.1
129.06992	4.5
130.07724	1.8
131.08554	14.3
133.10104	28.4
135.08041	9.8
135.11678	4.2
137.09593	2.3
137.13139	1.9
142.07744	1.7
143.08540	6.4
145.10126	27.8
146.63072	1.9
147.08047	3.5
147.11685	20.1
149.09660	2.2
156.09352	2.6
157.10091	11.4
159.11678	26.5
160.12236	2.0
161.09570	2.5
161.13255	22.8
170.10947	1.8
171.11690	13.6
173.02255	2.1
173.13255	7.9
175.11244	11.8
175.14807	63.9
176.15529	3.0
177.12823	3.8
177.16312	2.9
185.13200	14.3
189.12662	4.0
189.16379	4.4
190.13466	2.9
191.14330	2.4
199.14803	4.3
201.16365	20.4
203.14314	8.2
215.07103	2.6
215.17960	4.2
217.19504	3.3
241.19490	15.9
244.15070	1.8
259.11316	2.5
259.20557	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03937	2.5
55.01855	5.9
55.05509	17.9
56.96558	8.3
57.03420	4.9
57.07076	9.9
62.58374	2.0
64.42778	2.0
67.05505	27.7
69.07060	18.1
71.04955	2.6
71.08627	17.3
71.45797	3.3
72.08150	2.1
79.05491	33.1
81.07058	28.7
83.04956	3.2
83.08612	10.7
89.03890	4.2
91.05476	35.5
93.07046	19.7
95.04961	6.7
95.08591	20.4
97.05946	3.7
97.06527	52.4
98.97570	2.5
99.08080	14.6
103.05433	3.6
105.03421	3.3
105.07027	81.3
107.04963	3.8
107.08609	10.1
109.10144	6.5
111.08117	2.3
117.03371	3.0
117.07014	30.8
119.08576	25.6
121.06458	2.2
121.10107	6.4
123.08109	3.2
128.06201	6.3
129.01840	3.6
129.06990	22.8
130.07765	2.6
131.08557	24.7
133.06462	3.4
133.10121	20.0
134.99704	2.4
135.04358	3.7
135.08063	4.9
135.11673	4.8
142.03217	4.8
142.07773	2.4
143.08559	30.2
145.02831	4.3
145.10120	42.2
146.91603	2.3
147.08026	4.5
147.11679	30.6
149.13289	2.5
157.10133	21.5
159.04381	2.3
159.11705	18.7
161.02351	8.8
161.09677	2.2
161.13249	36.1
163.03906	23.9
163.11169	4.1
171.11703	17.5
173.02342	20.8
173.13252	24.2
175.11214	2.9
175.14908	10.2
177.12697	2.7
185.13274	20.0
187.14771	5.7
189.12721	9.6
190.95313	3.8
199.14841	12.6
201.16496	2.4
203.14334	2.8
213.16458	3.5
213.36795	2.3
215.06990	24.4
222.67604	2.8
229.07382	2.5
229.91856	2.1
230.98955	2.2
231.21117	4.0
236.98672	2.5
237.13396	2.9
241.19533	42.8
255.14464	2.9
259.09515	11.9
259.12860	2.7
259.17026	8.4
259.20560	100.0
259.28171	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	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.81215	0.9
55.05249	1.5
55.05512	25.4
57.03435	1.1
57.07084	9.0
58.07410	1.6
62.06084	3.0
65.03935	1.6
67.05506	14.2
69.03424	1.1
69.07067	11.0
69.42247	5.0
69.42655	1.9
71.08318	0.8
71.08638	7.5
72.04496	3.5
72.08959	1.0
79.05492	13.9
79.57646	0.9
81.07061	15.1
83.04967	1.7
83.08616	13.9
85.06548	1.8
85.10159	1.0
91.05478	30.5
93.07048	16.0
95.04971	2.4
95.08608	12.0
97.06537	9.1
97.10147	2.0
99.08068	5.6
103.05453	2.4
105.03359	1.2
105.07032	55.4
107.04948	5.4
107.08600	5.8
109.06519	2.0
109.10146	4.1
115.05466	2.9
117.07021	34.9
119.04939	4.0
119.08577	25.9
121.06512	14.3
121.10168	4.9
128.06209	4.4
129.01772	1.3
129.07004	26.4
130.07785	1.8
131.07610	2.1
131.08568	26.8
133.06493	35.5
133.09154	1.8
133.10130	22.2
135.08029	2.5
135.11688	3.8
141.06923	1.3
142.03174	1.9
142.07787	2.7
143.08563	22.4
145.06488	1.4
145.10124	28.9
147.08049	10.9
147.11693	20.0
149.13297	2.1
154.51726	1.1
157.10123	16.7
159.11700	26.6
161.02299	1.7
161.09654	2.0
161.13255	12.2
163.03874	2.4
163.11176	2.5
167.05905	1.3
171.11691	16.0
173.02388	1.6
173.13252	16.8
175.11105	1.9
175.14818	3.0
177.12772	3.4
185.13257	12.1
187.14813	1.7
189.12743	74.5
199.14862	6.7
203.14374	1.8
213.16460	2.0
215.07063	2.7
230.24838	1.6
231.21042	1.8
231.25127	13.6
241.19530	18.0
241.23405	6.2
259.20581	100.0
259.24539	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	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01859	2.4
55.05274	1.0
55.05510	11.2
55.88301	0.9
57.03448	0.8
57.07073	6.2
65.03909	1.2
67.05507	17.1
69.03420	1.3
69.07066	8.8
71.04987	1.4
71.08616	2.1
71.78268	0.9
79.05030	1.1
79.05493	19.9
81.03416	0.9
81.07063	17.1
83.04984	1.8
83.08610	4.3
85.06528	2.1
85.10153	1.0
87.02015	0.8
91.05477	29.4
93.06499	1.5
93.07043	19.8
95.04967	3.4
95.08604	15.5
97.06527	10.0
97.10178	0.8
98.21562	1.8
99.08080	1.4
101.05949	0.9
103.05438	1.7
105.03353	0.8
105.07029	38.6
107.04928	2.7
107.08585	9.0
109.06511	3.5
109.10161	6.3
111.04476	0.9
111.08059	1.9
115.05447	2.1
117.07010	14.0
119.08578	20.6
120.57803	0.8
121.06509	2.5
121.10139	8.0
123.08054	2.4
123.11679	1.7
125.09622	1.2
128.06207	3.5
129.01791	1.2
129.07001	19.0
131.07632	1.4
131.08574	21.2
133.06454	4.4
133.10143	15.6
135.08070	2.7
135.11676	3.4
137.09602	3.4
141.07079	1.3
142.03220	2.0
142.07771	2.1
143.08574	16.4
145.10114	11.3
147.06514	0.8
147.08051	6.1
147.11696	15.4
149.09584	2.7
149.13232	4.0
151.11171	1.7
155.08566	1.0
157.10117	15.9
159.11716	9.7
161.02344	1.1
161.09599	3.2
161.12033	1.3
161.13268	15.9
163.03883	3.1
163.11162	1.8
163.14848	2.3
165.12730	1.3
170.10881	1.2
171.11685	17.9
173.02341	2.8
173.09843	0.8
173.13243	10.0
175.11183	5.0
175.14822	8.3
177.12744	3.1
185.13277	13.6
187.14839	2.9
189.12735	10.1
189.16496	1.1
190.96211	0.9
199.14816	7.6
201.16498	0.9
203.14360	2.1
203.17863	0.9
213.16299	1.4
215.07018	3.6
215.17963	3.6
217.15956	0.9
231.17334	1.7
231.21085	6.4
241.19502	24.2
249.45573	0.9
259.20572	100.0
260.20837	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	259.2056
Annotation	Bactacine
Peak:m/z	Relative Intensity
51.07169	0.8
55.05500	2.8
57.07056	2.9
57.07330	0.7
67.05492	6.1
69.07059	5.9
71.04977	1.6
79.05479	3.3
81.07055	27.6
83.08575	1.1
85.06570	1.1
91.05470	3.9
93.07047	6.6
95.04961	2.3
95.08598	14.2
97.06522	4.4
98.21487	1.7
105.03381	2.4
105.07024	5.5
107.08585	7.1
109.06519	4.4
109.10142	6.0
111.08065	2.4
115.05423	1.1
117.06999	1.8
119.08562	8.5
121.10154	5.8
123.08074	1.5
123.11701	58.2
129.01825	1.9
131.08546	4.9
133.10098	5.8
135.08057	10.0
135.11665	1.8
137.09608	7.3
143.08548	2.8
145.10109	9.8
147.11682	4.9
149.09567	2.0
149.13293	1.1
157.10144	3.1
159.11674	5.5
161.13278	3.5
163.03842	1.1
163.11122	1.9
165.12718	1.7
171.11668	4.1
173.02283	1.6
173.13223	3.5
175.14835	5.7
185.13240	4.0
189.12674	2.5
190.13449	1.2
191.14304	1.3
199.14862	1.4
201.16385	6.6
203.14336	1.9
215.06999	2.1
215.17976	1.4
217.19487	2.9
229.18839	1.1
241.19559	5.6
253.07506	0.9
259.20575	100.0
260.20792	2.2
284.30115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05500	5.8
57.07074	4.2
67.05496	9.7
69.06740	2.6
69.07069	29.8
70.01588	8.3
71.04987	24.8
79.05494	4.5
81.07058	19.3
81.32700	1.8
83.04984	3.2
83.08619	7.8
84.85302	1.8
85.06551	22.2
91.05474	10.7
91.51556	1.8
93.07036	12.5
95.04953	3.3
95.08598	15.0
97.06513	4.9
105.07031	18.5
107.08576	18.5
109.06506	6.3
109.10162	14.6
111.08086	11.2
117.06988	4.9
119.08582	51.6
121.10146	15.0
123.08072	2.0
123.11698	23.9
128.06207	1.9
129.07016	2.4
131.08549	14.7
133.10127	36.4
133.15956	1.7
135.08031	10.0
135.11673	6.8
137.09631	2.7
143.08546	6.7
144.09320	5.3
145.09076	3.0
145.10129	32.9
147.11685	17.9
149.09610	3.0
156.09291	2.6
157.10153	12.8
159.11710	33.7
160.12488	2.5
161.09674	2.4
161.13248	34.3
163.11160	2.6
166.80315	1.7
171.11690	12.6
173.13235	12.3
175.11337	4.4
175.14828	79.8
176.15553	5.8
177.12724	4.4
177.16368	3.8
185.13260	15.8
189.12775	5.1
189.16347	6.7
190.66702	1.7
191.14204	1.9
199.14832	5.2
201.16393	27.8
203.14311	13.1
215.17937	4.6
217.19516	5.2
239.75548	2.2
241.19490	16.0
259.20563	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	260.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
56.96555	0.2
65.03938	0.4
67.04242	0.4
70.06589	0.4
70.65651	0.3
70.65985	0.5
71.04989	0.5
72.04532	0.3
72.08151	0.3
73.29221	0.2
80.05007	0.5
80.31068	0.2
82.06580	4.4
82.91447	0.2
84.04507	0.3
84.08128	0.7
86.09686	0.3
96.08139	0.5
98.21400	0.3
100.07615	100.0
116.98646	0.3
120.04448	0.6
129.10190	0.3
161.07098	54.7
162.07402	0.5
185.51254	0.3
242.12839	0.4
260.13931	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	260.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.7
55.36242	0.2
56.05046	0.6
56.96565	0.5
61.01161	0.7
61.45583	0.3
65.03947	0.6
67.04237	0.8
67.05502	0.5
69.03439	0.4
70.06597	1.0
71.05011	0.5
71.48456	0.4
71.48891	0.3
72.08171	0.7
80.04994	0.5
81.07067	0.5
82.06580	4.5
84.04487	0.5
84.08151	3.4
84.96057	0.3
85.02939	0.5
86.09708	0.7
87.04476	2.1
89.00610	0.5
91.05489	0.7
92.56125	0.2
95.04987	0.8
95.08638	0.4
97.02887	0.6
98.09693	0.4
98.97610	0.4
99.10028	0.3
100.07620	100.0
101.07943	0.5
103.05450	0.4
105.07025	0.3
110.97604	0.3
113.06013	0.4
115.09560	0.4
118.06549	3.2
120.04486	0.8
120.08128	0.5
121.06586	0.4
123.04407	0.3
123.08109	1.5
124.07524	0.3
126.09180	0.6
129.10231	0.4
133.06531	0.3
135.07948	0.3
138.09123	1.1
138.58003	0.3
140.92369	0.2
146.06026	1.1
147.11331	0.3
153.19392	0.2
156.09296	0.4
157.10515	0.5
161.07108	52.8
162.07489	0.9
163.03932	0.4
170.05928	0.4
171.11729	0.3
175.07515	0.4
191.06996	0.6
193.38449	0.3
199.11177	1.3
204.10211	1.6
217.12202	0.4
219.06465	0.7
232.09702	0.6
237.02831	0.5
255.03702	0.3
260.08987	1.6
260.11401	0.9
260.13943	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	260.1605
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.05035	9.8
56.96560	3.8
69.07059	3.5
70.06608	1.9
70.55698	3.3
72.08163	2.5
73.02935	1.0
75.40113	1.1
83.06103	78.4
84.04504	99.9
84.08143	13.3
85.02905	2.7
86.09705	100.0
86.49442	0.9
87.89183	1.0
97.02879	2.0
98.97580	3.2
101.07139	10.4
111.04401	1.0
113.07153	1.3
116.98596	1.5
125.04256	1.2
126.09130	1.2
128.98640	1.1
129.06583	7.4
129.10194	0.9
130.06508	2.8
130.08611	1.2
132.10201	39.2
135.31111	1.0
141.06598	2.3
146.99570	1.3
147.11342	1.6
152.10727	1.9
157.07552	1.9
157.13411	2.1
170.02887	1.1
171.11391	1.1
179.11618	1.0
189.12143	1.3
196.14458	12.3
197.12845	41.7
198.11311	1.6
208.49948	0.9
214.05351	1.1
225.12306	4.5
237.02802	1.4
242.14993	87.8
243.13391	42.0
260.16019	2.2
260.19745	2.1
270.59012	1.3
282.22198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	1.5
58.08892	0.2
70.93513	0.3
70.93826	0.2
71.95286	0.2
82.99874	0.3
98.97584	5.9
98.98223	0.4
100.97162	0.3
101.00874	1.0
102.96861	0.4
116.98624	6.5
116.99469	0.3
118.99017	0.2
119.01922	8.0
120.01965	0.3
120.50659	0.3
120.97879	0.7
134.99658	5.9
135.99988	0.4
136.99187	0.3
137.01913	0.2
137.02951	3.3
138.98917	0.5
140.98813	0.2
142.03494	0.2
153.00766	1.1
158.01219	0.3
158.99867	0.7
161.02919	0.2
175.03000	0.4
177.00954	14.9
178.01088	0.7
179.00731	0.7
182.99913	0.4
189.00815	0.3
190.95213	0.2
191.07663	0.3
193.04018	0.3
195.02095	0.4
200.02634	0.2
201.00958	0.9
217.04066	2.4
218.03598	0.8
219.02007	21.4
220.02127	1.2
221.01781	2.1
222.01936	0.3
225.00790	1.8
237.98758	1.3
238.98349	0.5
242.03580	0.4
242.99355	0.2
243.01970	7.0
244.02016	0.3
260.04648	0.3
261.03049	100.0
262.03180	5.3
263.03403	0.4
266.03763	0.3
275.04559	0.4
278.97046	0.6
279.00479	5.4
284.04626	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	261.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
56.05023	1.5
56.96561	7.5
57.03418	3.1
61.02911	2.1
66.40211	0.8
69.03405	1.7
69.07040	1.5
71.48952	1.1
71.49328	1.3
73.02910	1.5
76.19843	0.8
81.03429	1.3
83.04977	0.9
84.04501	3.7
84.08145	16.5
84.58250	0.9
84.96019	1.2
85.02902	4.0
85.04857	1.1
85.08463	8.1
86.09702	12.6
87.10030	2.5
97.02876	2.6
98.97574	9.0
101.00868	0.9
102.05532	1.0
110.97578	2.0
113.03503	6.8
113.04183	1.0
116.98635	2.6
119.01916	3.0
126.09142	1.2
128.98601	3.6
129.10219	1.4
130.04996	3.5
130.10524	1.4
131.01920	1.4
132.10217	1.2
133.01740	1.3
133.03493	2.0
134.99605	1.2
139.03423	1.1
143.01894	1.2
145.03467	1.0
146.99640	3.7
147.07629	3.5
147.11281	1.3
148.03873	10.8
148.06071	1.1
148.07962	1.3
151.02773	1.0
154.08669	1.8
156.52121	0.9
157.04411	5.8
158.99593	1.8
159.05026	1.2
161.03004	1.9
165.00693	1.3
168.05148	1.0
169.01015	1.3
171.02676	2.2
173.02956	1.7
177.00713	2.3
189.00720	1.0
189.06081	1.2
193.09737	0.9
195.04729	2.4
195.54982	1.1
201.03778	3.0
205.01353	1.3
205.05478	1.5
219.01775	2.7
221.04994	2.3
229.03189	21.5
237.02884	6.5
243.02589	1.0
243.04903	2.4
244.17273	0.9
253.14235	1.1
261.05838	66.4
261.09433	100.0
261.19934	2.5
280.90991	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	261.1449
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
52.67133	0.6
52.88373	0.6
56.05032	1.4
56.96569	4.7
59.07392	0.8
60.04520	0.7
60.08154	1.7
69.03437	1.1
69.07070	1.8
69.81830	3.6
70.06593	1.8
71.04993	2.8
72.08154	1.8
73.04019	1.0
73.08502	0.8
79.43126	0.6
81.03419	0.6
82.06575	1.0
82.94163	0.5
83.04985	1.2
84.04508	17.9
84.08146	7.9
85.02915	1.6
85.08474	5.0
86.09705	100.0
87.10043	1.1
97.02922	1.4
98.06040	0.7
98.97584	4.1
99.05566	0.7
100.07619	1.0
102.05527	4.4
110.06038	1.3
110.97576	1.1
114.44286	0.7
116.07092	1.2
116.98616	3.3
119.01945	0.9
125.07102	0.9
128.98616	2.3
129.10252	1.2
130.05020	4.9
130.10608	0.9
132.10220	4.6
133.03441	0.7
134.30923	0.6
134.99649	1.6
137.96039	0.7
140.03421	0.7
143.08134	0.8
146.99675	1.5
148.06047	21.6
148.07217	1.2
154.08568	1.0
155.08180	1.6
158.99701	1.3
161.01151	0.7
167.08165	1.0
169.01109	1.0
171.07671	1.4
173.09221	0.7
177.00723	1.6
189.00711	0.7
189.03992	0.9
191.02348	0.8
197.12888	4.2
209.15540	0.7
215.03438	0.7
215.13896	1.0
217.00389	0.6
219.01768	2.0
225.12410	2.3
229.03143	4.5
237.02782	3.5
243.04832	1.8
243.13348	6.7
261.05869	43.6
261.09470	10.9
261.14435	10.7
261.19910	1.3
262.05963	0.9
279.03897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03928	3.9
54.69152	1.1
55.01865	1.0
55.05513	13.2
57.03431	1.9
57.07063	4.4
65.03944	2.0
67.05506	43.5
69.07072	12.1
70.63434	2.9
71.04984	1.6
71.08627	1.0
77.03893	1.2
79.05492	53.1
81.07054	46.0
83.08614	6.3
85.06538	3.2
91.05482	25.7
92.84467	1.0
93.07044	67.1
95.04958	4.1
95.08609	38.5
97.06534	3.2
97.10169	2.2
99.08079	3.1
105.04492	1.2
105.07032	19.7
107.08591	45.5
109.06519	3.2
109.10161	14.6
111.08076	2.7
113.09578	1.0
117.07015	7.5
119.08588	15.8
121.10144	41.7
123.08083	1.2
123.11683	4.8
125.09582	1.1
131.08565	14.4
133.10141	13.5
135.11694	30.0
137.09650	1.7
144.09346	1.1
145.10118	15.5
147.11702	13.5
149.13269	26.5
153.12793	1.5
159.11690	10.2
161.13280	12.9
163.14821	19.3
173.13264	11.0
175.14821	3.5
177.16426	5.5
179.14337	1.3
187.14833	6.9
201.16360	3.3
215.17982	2.1
233.22647	1.6
243.18599	1.3
243.21080	28.0
261.22137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01869	1.9
55.05510	14.3
56.96558	1.4
57.03437	1.7
57.07073	4.0
59.04988	0.6
65.03935	2.5
66.25212	0.5
67.05502	46.1
69.07063	13.9
70.62993	1.3
70.63392	1.1
71.04990	2.1
71.08636	1.4
77.03922	1.0
79.05492	59.3
81.07056	50.2
83.04979	1.7
83.08617	8.0
85.06552	4.0
91.05473	30.1
93.07040	75.3
95.04968	6.3
95.08604	34.6
97.06551	3.0
97.10166	3.2
99.07529	0.5
99.08085	3.9
105.04524	1.0
105.07030	20.7
107.04961	2.1
107.08589	52.2
109.06521	2.6
109.10156	14.5
111.08068	2.7
113.09665	1.2
117.07033	6.9
119.06056	0.6
119.08573	15.8
121.06511	0.6
121.10139	45.3
123.08088	1.2
123.11694	6.0
125.09623	1.4
129.07021	1.3
131.08565	17.4
133.10132	13.7
135.08060	1.6
135.11687	32.8
137.09634	1.5
137.13240	1.9
139.11140	0.6
143.08575	1.0
145.10117	15.8
147.00548	0.6
147.11673	11.8
149.09605	1.9
149.13254	25.5
149.21066	0.6
151.11217	0.9
151.14838	0.9
157.10136	0.6
157.52948	0.5
159.08061	1.0
159.11696	12.7
161.13240	12.9
163.11157	1.4
163.14816	19.9
165.12782	1.5
173.13252	11.4
175.14812	4.7
177.12842	1.1
177.16354	6.0
179.14352	2.1
187.14806	7.3
189.16391	0.8
201.16354	3.5
205.15770	1.1
215.17993	2.6
218.03056	0.7
219.17392	0.6
233.19019	0.6
233.22581	1.2
243.21074	32.8
261.18771	3.8
261.22119	100.0
262.22482	2.1
267.98077	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02369	0.5
53.03936	2.8
55.01857	0.8
55.05510	15.3
57.03429	1.1
57.07073	4.5
60.02644	0.6
65.03932	2.0
67.05504	44.3
69.07066	15.0
69.93640	0.6
71.04977	2.6
71.08611	1.0
71.20365	1.0
71.20689	0.9
77.03938	1.3
79.05492	57.8
81.07054	51.0
83.04969	1.2
83.08621	6.9
85.06551	3.6
91.05479	29.3
93.07042	77.1
95.04972	6.3
95.08606	38.8
97.06515	4.7
97.10151	2.3
99.08082	4.2
105.07025	21.3
107.08591	49.7
109.06536	3.1
109.10146	14.3
111.08072	3.4
111.11674	0.6
113.09672	1.8
115.05420	0.9
117.07017	6.9
119.08577	16.0
121.10142	43.6
123.08057	1.7
123.11726	5.5
125.09617	1.0
129.06923	1.2
130.07770	0.8
131.08566	15.7
133.10129	14.4
135.11690	35.0
137.09610	1.8
137.13271	1.3
138.98003	0.6
140.21825	0.6
145.10126	16.5
147.11679	12.9
149.09596	1.3
149.13251	27.8
151.11191	1.3
151.14888	0.8
153.12720	0.9
157.10149	0.8
159.11684	9.3
161.13255	14.1
163.11157	0.8
163.13455	1.1
163.14816	19.9
165.12738	1.2
173.13255	10.6
175.14879	4.4
177.16374	5.0
179.14220	1.5
187.14790	8.5
189.16414	0.9
201.16319	3.4
203.17960	1.0
203.82930	0.6
208.59703	0.7
215.17958	1.8
217.19366	0.7
219.17401	0.7
233.22647	0.8
243.17352	0.9
243.21077	30.2
261.22131	100.0
262.22565	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01842	0.7
55.05508	13.6
55.47892	0.5
57.03413	1.4
57.07078	4.1
65.03928	1.7
67.05505	38.8
69.07067	12.5
69.29736	0.7
69.82677	2.2
71.04988	2.0
71.08617	1.0
79.05493	54.6
81.07056	45.1
81.07471	0.7
83.04957	0.8
83.08614	7.2
85.06545	3.1
87.85689	0.7
91.05479	28.2
93.07043	69.7
95.04967	5.7
95.08605	34.2
97.06532	4.1
97.10175	3.3
99.08079	3.9
103.05392	0.8
105.04514	0.8
105.07027	20.0
106.55862	0.6
107.04935	1.1
107.08593	52.1
109.06514	2.4
109.10155	15.8
111.08076	3.0
112.03025	0.8
113.09631	1.1
115.05447	0.7
117.07007	6.3
119.08585	15.4
121.10144	40.2
123.08039	1.7
123.11694	5.0
129.06981	0.6
131.08563	13.6
133.10121	13.8
135.11690	36.4
137.09615	2.4
137.13220	2.4
139.11182	1.1
145.10110	15.4
147.11690	11.3
149.09651	1.1
149.13254	27.1
151.11139	1.3
159.11697	11.3
161.13246	11.7
163.14821	20.8
165.12752	1.8
171.11711	0.7
173.13248	10.5
175.14832	4.0
177.12813	1.0
177.16379	4.6
179.14333	2.1
187.14850	5.7
189.16310	1.0
201.16344	3.3
203.17938	0.6
204.13837	0.7
205.14134	2.9
205.15860	1.1
215.17914	2.1
216.00282	0.8
218.83879	0.6
219.17464	1.0
233.22652	1.3
243.18521	1.3
243.21072	30.9
261.22128	100.0
262.14273	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02383	0.6
52.85849	0.4
53.03944	2.6
55.01860	1.2
55.05510	14.7
57.03432	1.7
57.07072	5.1
65.03931	1.8
67.05503	43.5
69.03448	0.5
69.07061	12.9
71.04984	2.0
71.08613	1.1
71.49630	0.6
72.40019	0.5
77.03936	0.9
77.80149	0.4
79.05490	57.1
81.07053	51.5
83.04977	1.3
83.08620	7.7
85.06545	4.5
90.32737	0.5
90.47332	0.4
91.05476	30.4
93.07040	76.8
94.07364	0.7
95.04965	6.1
95.08605	39.2
96.37356	0.4
97.06520	3.7
97.10148	3.7
99.08089	4.1
100.67636	0.4
105.04548	0.9
105.07025	19.4
107.08588	48.6
109.06522	3.0
109.10147	14.7
109.10724	0.4
111.08080	3.6
111.11715	0.6
113.09626	1.3
117.07005	8.0
119.08579	17.9
121.10139	45.6
123.08045	1.9
123.11708	5.6
125.09624	1.7
130.07808	0.5
131.08565	17.1
131.09557	0.9
133.10124	14.9
135.08112	0.7
135.11687	35.6
137.09608	2.2
137.13232	1.6
139.11134	1.1
143.08522	0.6
145.10120	16.1
146.10614	0.5
147.06958	0.5
147.11678	13.1
149.09618	0.9
149.13251	27.4
151.11176	1.5
153.12726	0.6
159.10481	0.8
159.11691	10.0
160.45279	0.4
161.13251	12.4
163.11224	1.2
163.14813	21.2
165.12766	1.3
171.11617	0.6
171.81982	0.5
173.13263	10.6
175.14799	4.9
177.12701	0.9
177.16373	6.5
179.14317	2.4
187.14821	8.0
189.16382	0.7
190.77837	0.5
201.16335	3.5
203.17914	0.7
205.15938	0.5
215.17880	2.1
217.19505	1.1
219.17453	1.1
233.22650	1.4
243.21071	32.2
244.21455	0.6
261.22122	100.0
262.14365	1.3
262.22400	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	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88372	0.8
53.03939	3.1
55.05511	15.7
56.96557	1.1
57.03416	1.3
57.07077	4.4
57.07316	0.7
65.03925	1.0
67.05506	43.5
69.07066	14.6
70.75231	0.8
70.75561	1.8
71.04980	2.8
71.08617	1.5
77.03868	0.9
79.05495	61.0
81.07056	52.9
81.07465	0.7
83.04970	1.9
83.08630	6.9
85.06532	3.6
91.04922	1.6
91.05486	30.7
93.07047	84.2
95.04964	6.4
95.08608	36.9
97.06540	5.0
97.10162	3.3
99.08086	4.4
100.04228	0.8
105.04502	0.9
105.07034	21.0
107.08594	51.7
108.67139	0.7
109.06506	2.8
109.10162	15.1
111.08091	3.7
113.09631	1.2
117.07017	7.5
119.06053	1.1
119.08580	16.9
121.10144	44.9
123.08057	2.2
123.11714	4.8
125.09644	1.2
131.08560	15.2
131.91521	0.7
133.10138	14.3
135.08067	1.3
135.11690	39.9
137.09628	2.2
137.13242	1.8
139.11140	1.5
145.10129	16.6
147.11697	13.8
149.09560	1.5
149.13266	24.5
153.12804	1.1
159.11699	12.8
161.13260	11.2
161.14514	1.4
163.14815	18.6
165.12762	1.9
173.13239	11.5
175.14813	4.9
175.16083	0.9
177.16402	6.0
179.14311	2.1
183.52827	0.8
187.14856	8.5
189.16446	1.1
191.14357	1.2
201.16400	3.4
215.17993	2.8
217.19685	1.0
243.21080	35.1
261.22137	100.0
262.14417	1.7
262.22418	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03934	7.3
55.05512	19.9
56.96554	10.8
57.03437	3.6
57.07074	3.5
59.39466	2.5
64.32890	2.5
65.03938	4.1
67.05505	50.8
69.07066	19.0
69.79309	5.4
69.79717	11.8
71.08637	6.5
71.37128	2.7
72.57207	2.7
74.30129	2.9
79.05495	81.9
81.07054	57.9
83.08639	4.4
85.06548	6.3
91.05482	53.9
93.07042	100.0
95.04969	8.1
95.08613	53.6
97.06529	8.4
97.10178	2.9
99.08052	3.0
105.07021	33.2
107.04956	11.0
107.08584	57.7
109.06511	4.2
109.10167	14.7
111.08105	3.8
112.03353	2.3
117.07027	12.7
119.08583	28.4
121.06535	4.1
121.10140	45.3
123.08041	4.8
123.11704	6.6
129.07025	3.0
131.08565	26.3
133.10110	18.6
135.08018	6.5
135.11673	31.8
145.10147	22.1
147.11682	14.6
149.09634	9.0
149.13243	26.2
159.11699	19.0
161.09671	3.4
161.13223	14.4
163.11221	4.6
163.14819	19.1
173.13246	14.4
175.14755	3.2
177.16408	8.1
187.14787	6.6
201.16373	5.0
205.15884	5.4
215.17911	6.3
243.17435	6.4
243.21094	33.2
247.08742	4.5
261.18573	25.2
261.22150	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	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72684	8.6
56.96565	12.2
71.40719	23.2
76.09203	9.0
98.97561	14.9
119.01927	27.1
123.20292	8.0
131.01860	13.5
138.10181	10.6
143.01909	26.1
145.52242	8.9
161.02974	100.0
173.02956	23.6
191.04057	21.4
263.01669	61.8
263.06128	14.9
271.95621	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60010	1.7
52.32406	1.8
61.02928	1.8
61.96051	2.2
69.03371	1.7
71.48783	2.6
85.02907	2.2
86.28475	1.9
97.02899	2.2
98.97575	2.2
101.00881	18.9
105.91047	1.8
113.00854	4.9
116.72683	1.9
119.01920	45.4
131.01901	23.1
132.02739	2.0
137.02965	5.6
143.01894	32.2
145.03455	1.9
149.02956	4.7
155.01886	8.7
157.03391	2.4
161.02962	100.0
162.03088	2.2
173.02969	28.2
175.04408	2.7
179.04002	2.9
185.02921	2.8
191.04005	21.2
203.04024	13.9
221.05089	4.7
233.05188	2.9
239.06139	3.1
263.01572	5.9
263.05997	29.4
263.09985	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99846	0.7
62.26570	0.6
70.10813	2.7
71.62878	0.6
73.01617	0.6
73.02919	0.7
82.99844	1.4
85.02877	0.8
97.02863	1.4
101.00880	13.3
105.00384	1.0
113.00867	3.9
119.01925	41.0
120.01992	0.7
131.01906	26.4
137.02980	5.3
143.01897	29.5
145.03474	2.3
149.02948	4.8
155.01883	11.2
157.03470	1.9
161.02960	100.0
162.03151	1.3
173.02959	30.2
179.03972	4.2
184.04504	1.8
185.02992	3.5
191.04007	18.5
197.03058	1.4
203.04025	10.9
209.05264	1.0
215.04022	1.4
221.05103	4.7
233.05060	1.8
239.06128	2.6
263.05988	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	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03939	2.1
55.01857	3.2
55.05277	1.3
55.05510	14.2
56.26812	1.2
56.96561	2.3
57.03440	5.6
57.07059	2.6
60.67096	0.9
65.03932	1.9
67.05145	2.1
67.05505	41.7
69.03425	1.9
69.06750	1.3
69.07075	16.9
71.04969	3.5
71.08621	7.3
71.11219	1.8
71.11561	1.4
72.65483	0.9
73.06554	1.0
79.05491	30.6
81.03399	1.9
81.07057	27.6
83.04971	3.7
83.08616	7.6
85.06542	1.5
89.79089	1.0
91.05479	17.2
93.07045	45.1
95.04955	6.6
95.08607	100.0
97.06532	5.1
97.10172	2.1
99.08106	5.7
104.98573	1.5
104.99271	22.1
105.07020	14.8
107.04953	2.4
107.07896	1.7
107.08591	25.3
109.06513	4.0
109.10149	13.9
111.08076	4.1
114.23471	1.0
117.06994	2.3
119.08577	11.7
121.06458	1.5
121.09246	1.5
121.10142	25.0
123.08067	6.2
123.11715	2.7
125.06002	1.2
129.07027	2.3
131.08566	4.2
133.06482	1.4
133.10129	9.5
135.08073	1.4
135.11699	15.2
137.09627	1.7
139.07547	1.7
141.09109	2.5
143.08562	2.3
145.10130	4.5
147.08067	1.3
147.11671	9.1
149.09595	2.7
149.13248	5.6
151.11169	4.1
153.09113	1.2
157.10065	2.5
159.10161	11.2
159.11673	2.6
161.09637	1.4
161.13261	3.3
163.11171	1.8
165.09044	1.4
165.12730	2.7
167.10600	2.2
171.11664	2.1
173.11790	1.2
173.13214	1.4
175.11165	2.0
175.14799	1.0
179.10655	1.1
181.12372	1.5
185.13324	1.5
189.12810	2.5
193.12267	1.4
195.13808	1.4
199.06421	1.4
203.14278	1.3
207.13818	2.6
217.07428	4.1
221.15405	1.4
227.17900	2.4
245.19005	7.2
245.22653	2.0
263.17245	2.2
263.20081	62.9
263.23013	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	263.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05511	3.7
57.03430	1.1
57.07077	1.5
58.07398	0.4
67.05505	10.1
69.07066	3.0
70.12206	1.1
71.04978	0.9
71.08617	0.4
79.05499	4.3
81.03417	0.4
81.07057	6.0
83.04958	0.4
83.08584	0.9
85.06522	0.5
91.05486	2.7
93.07042	3.4
95.04964	2.4
95.08609	34.2
97.06522	1.2
104.54320	0.4
104.99277	4.7
105.07030	2.3
107.04944	1.0
107.08583	4.8
109.06532	0.6
109.10158	2.5
113.09603	0.4
119.08566	1.2
121.06448	0.3
121.10134	1.2
123.08075	2.0
123.11689	0.7
131.08556	0.4
133.10118	1.3
135.11696	0.6
141.09146	0.7
145.10129	0.5
146.06013	0.5
147.06450	0.4
147.11667	0.9
149.09607	0.4
151.11240	0.3
159.10185	8.3
159.11572	0.5
161.13272	0.5
173.11719	0.6
175.11330	0.3
175.14807	0.3
189.10793	0.3
192.67499	0.3
202.12256	0.5
203.12703	3.0
204.13402	5.6
206.08090	0.9
207.08469	3.2
211.81230	0.4
220.09203	0.4
232.09592	0.6
233.10036	2.6
245.18974	0.5
245.22667	0.6
246.11240	1.3
247.11609	17.6
248.12379	11.8
263.14722	100.0
263.20129	6.3
263.23730	1.4
264.15018	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	263.2006
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03947	3.1
55.01863	4.2
55.05512	21.2
56.96558	3.2
57.03439	2.9
57.07066	2.4
65.03923	1.9
67.05505	45.5
69.03426	1.1
69.07069	23.7
71.04990	4.5
71.49950	1.5
71.50322	2.3
79.05491	47.7
81.03402	2.8
81.07055	41.3
83.04995	7.4
83.08614	10.5
85.06539	2.2
91.05473	25.6
93.07042	63.1
95.04970	10.7
95.07991	2.5
95.08604	39.2
97.02856	1.3
97.06529	6.4
97.10152	3.2
97.21146	1.2
99.08074	1.4
103.01074	1.1
104.99274	15.2
105.07028	24.4
107.04951	3.3
107.07896	2.3
107.08596	37.0
109.06513	9.5
109.10159	16.5
111.04503	1.8
111.08064	6.3
112.52204	1.2
117.07009	4.9
119.08591	19.0
119.55379	1.1
121.06514	3.9
121.10149	37.7
123.04492	1.4
123.08070	5.2
123.11710	3.9
125.09648	1.6
129.06987	3.3
131.08511	5.8
133.06474	2.6
133.10130	16.6
135.08063	2.2
135.11690	20.0
137.09607	3.4
137.13239	2.7
139.07516	5.4
139.11217	2.5
143.08545	3.6
145.10143	6.8
147.08095	2.8
147.11668	11.5
149.09589	2.5
149.13222	8.2
151.11122	6.1
153.09105	2.9
157.10156	3.5
159.11679	3.4
161.09599	1.3
161.13229	6.2
163.11206	2.9
163.14827	1.3
165.12796	2.1
167.10667	1.9
168.46790	1.2
171.11716	3.6
173.13240	1.6
175.11211	2.6
185.13249	3.5
189.12729	2.9
193.12271	2.8
199.14973	1.4
203.14282	1.3
203.17926	1.8
207.13806	4.7
217.07462	3.0
217.19557	2.2
221.15468	2.4
227.17941	2.7
235.20587	2.1
236.34830	1.1
245.19031	8.8
245.22588	1.4
263.20074	100.0
263.23489	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	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03938	3.5
54.16695	0.9
55.01875	23.0
55.05513	22.0
56.96552	4.1
57.03433	2.6
57.07058	3.6
59.04978	1.8
63.75806	0.9
65.03940	2.9
65.45853	1.1
67.05507	60.0
69.03403	3.1
69.07072	25.0
70.56155	3.1
71.05006	6.5
71.08627	1.1
79.05494	40.2
81.03397	4.5
81.07056	37.9
83.04511	2.0
83.04984	30.6
83.05476	1.8
83.08617	8.3
85.02904	2.0
85.06519	3.2
91.04919	1.6
91.05477	31.4
91.28365	1.0
93.07047	60.2
95.04390	1.7
95.04970	23.0
95.07995	2.3
95.08607	43.2
97.06527	20.6
97.10154	3.5
99.04453	14.8
99.08070	1.8
104.99264	2.7
105.04426	1.2
105.07031	22.9
105.89005	1.0
107.04978	6.7
107.08591	36.7
109.06510	10.5
109.10162	27.5
111.04443	84.2
111.08057	6.2
113.05962	2.0
117.07045	5.0
119.08581	18.6
121.06491	4.1
121.10143	31.0
123.04436	1.7
123.08068	11.0
123.11703	3.8
125.05961	1.3
125.09652	8.1
128.06197	1.4
129.06984	3.8
131.08556	9.4
133.06480	1.6
133.10133	31.0
135.08076	6.0
135.11696	14.6
137.09619	8.5
139.07564	1.3
139.11159	2.5
143.08562	4.9
145.10110	6.8
146.99568	1.2
147.07988	2.5
147.11690	10.2
149.09621	4.5
149.13261	6.8
151.07555	1.4
151.11134	6.1
153.09111	18.1
155.10631	1.6
157.10136	5.1
159.07956	1.1
159.11684	3.7
161.09644	2.6
161.13220	7.2
163.11169	2.9
163.14763	2.8
165.12708	3.3
167.10669	2.1
167.14301	2.0
171.11696	4.7
173.11705	6.6
173.13240	3.1
175.11116	2.6
175.14832	3.6
177.12740	2.5
179.10661	1.8
179.14333	1.0
181.12230	2.3
183.11670	1.0
185.13249	4.7
189.04372	2.1
189.12709	2.9
189.16344	1.2
191.04898	1.0
193.12180	2.3
195.13770	1.0
199.14812	2.1
203.14375	1.8
203.17950	2.5
207.10115	1.7
207.13795	2.9
217.07471	1.1
217.15959	1.0
217.19592	2.2
220.12361	1.0
221.13315	1.7
221.15378	2.5
227.17986	5.6
235.14915	1.3
236.12808	2.0
241.07307	1.1
245.15228	1.3
245.19072	8.9
263.20041	100.0
263.24304	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	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03946	2.6
55.01878	2.9
55.05510	14.0
57.03431	5.2
57.07070	6.0
59.05005	5.4
65.03948	2.1
67.05503	100.0
67.59677	1.4
69.07072	18.2
71.05003	7.0
71.08607	2.5
71.50178	2.4
79.05492	14.9
81.03419	3.3
81.07051	30.5
83.04982	2.6
83.08616	9.7
85.06548	5.0
91.05482	21.8
93.07043	27.8
95.04393	2.2
95.04965	16.9
95.08605	25.9
97.06538	2.5
97.10169	2.1
104.99271	29.2
105.07026	12.6
107.04939	3.2
107.08595	9.8
109.06515	4.9
109.10153	90.0
111.08118	3.6
117.07013	3.0
119.08578	15.0
121.10139	4.1
123.08099	2.2
123.11742	2.0
131.08556	1.8
133.10139	5.9
135.08066	3.0
135.11626	2.2
137.09637	6.7
147.11713	3.4
151.11188	4.0
155.10687	6.0
161.09651	2.0
162.14024	1.4
173.11736	33.8
183.00667	1.6
245.19075	2.2
245.22679	4.1
247.11652	1.9
248.12434	1.8
254.73083	1.7
263.14594	5.3
263.20129	21.1
263.23712	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.59601	0.5
53.03942	1.5
55.01877	1.1
55.05507	16.6
56.96568	0.9
57.03433	1.4
57.07070	11.7
65.03938	2.9
67.05503	88.1
67.80145	0.5
68.05828	0.6
68.24677	0.5
69.03422	0.6
69.07069	18.2
71.04996	1.7
71.08616	5.7
71.08911	0.5
71.70854	0.6
79.05488	22.2
81.07054	100.0
83.04970	1.7
83.08613	14.2
83.29174	0.6
85.06543	4.8
85.10182	3.6
91.05478	16.2
93.07041	24.3
95.04993	2.8
95.08603	84.4
96.08945	1.1
97.06525	7.4
97.10165	5.0
99.08093	5.1
100.70103	0.6
104.99267	4.6
105.07029	12.7
107.08595	14.8
108.65645	0.6
109.06526	1.7
109.10153	44.0
111.08084	4.4
111.11722	1.4
113.09640	2.9
119.08575	12.1
121.10143	14.5
123.08056	3.0
123.11702	18.3
125.09596	1.6
127.11204	1.7
131.08554	0.6
133.10130	13.8
135.11684	9.7
137.09598	2.5
137.13232	6.3
141.12750	1.2
145.10094	0.7
147.11681	10.0
149.13263	7.6
151.11195	1.5
151.14807	7.7
155.14275	1.8
161.13261	10.8
163.14819	6.8
165.12794	0.7
165.16374	9.0
167.14305	0.8
173.09570	0.6
175.14813	7.3
177.16371	1.6
179.17966	2.7
181.15829	1.1
189.16359	3.2
203.17960	1.3
217.07471	1.4
218.81784	0.7
219.21104	1.2
245.22646	27.3
246.22940	0.6
263.20248	3.0
263.23694	61.7
264.23877	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03926	1.7
53.74616	1.1
55.01869	1.9
55.05512	16.3
57.03410	2.0
57.07076	14.0
59.17684	1.1
60.10529	1.1
65.03918	4.2
67.05505	87.0
68.69108	1.1
68.79653	1.0
69.03406	1.4
69.06737	1.5
69.07069	16.5
69.29411	2.1
69.29816	8.6
71.04980	2.4
71.08628	7.1
76.62482	1.1
79.05088	2.0
79.05498	25.9
81.03416	1.4
81.07056	100.0
83.04981	2.6
83.08620	13.4
85.06521	3.6
85.10164	2.9
91.05481	19.8
93.07045	28.0
93.53918	1.1
95.04961	3.4
95.08607	88.9
97.06542	8.6
97.10163	7.1
99.08075	5.4
104.99272	11.0
105.07032	12.1
107.07907	1.3
107.08590	16.5
109.06499	2.2
109.10159	55.7
111.08063	4.8
113.09619	3.5
115.49768	1.1
119.08586	13.8
121.10151	18.6
123.08045	4.9
123.11713	19.8
125.09621	1.2
127.11184	2.2
131.08568	1.3
133.10138	14.9
135.11685	10.5
137.09631	2.7
137.13235	7.0
141.12738	2.5
147.11699	9.6
149.13312	6.6
151.11153	2.7
151.14845	6.8
155.14302	1.4
159.10260	1.2
161.13274	10.4
163.14828	7.9
165.16394	10.2
173.11743	2.4
175.14838	6.8
177.16389	1.9
179.17921	4.4
181.15895	1.7
189.16353	4.9
189.65010	1.2
191.77162	1.1
203.12630	1.7
203.98663	1.2
204.13368	2.1
217.19501	1.5
233.10008	1.5
245.22656	30.7
247.11543	6.5
248.12395	3.7
263.14685	47.1
263.20694	2.4
263.23703	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01065	1.5
53.03942	3.4
55.01843	1.7
55.05513	15.8
57.03408	2.5
57.07080	11.9
65.03911	1.7
67.05505	85.9
69.07075	18.2
71.04984	2.2
71.08621	5.8
71.09000	1.5
71.50385	1.8
77.72005	1.4
79.05494	22.8
81.03432	2.0
81.07057	100.0
83.04974	2.2
83.08618	15.2
85.06529	4.6
85.10168	3.0
91.05476	21.0
93.07052	27.0
95.04970	7.9
95.08610	78.8
97.06544	7.5
97.10156	6.6
99.08073	4.5
104.99274	25.4
105.07018	13.1
107.04923	1.8
107.08592	16.2
109.02888	1.3
109.06510	2.1
109.10157	43.1
109.26472	1.5
111.08069	4.9
111.11742	1.7
117.07012	2.1
118.32198	1.6
119.08591	14.1
121.10139	16.4
123.08095	3.4
123.11708	16.8
123.71169	1.4
127.11209	1.6
129.06993	1.9
131.05615	1.3
131.08525	2.0
133.10112	16.6
135.11644	7.9
137.09618	4.3
137.13243	8.2
141.12680	1.8
143.08612	1.5
145.69916	1.3
147.11722	10.1
149.12207	1.3
149.13226	8.5
149.78610	1.7
151.11169	1.9
151.14803	6.2
161.02919	1.8
161.13271	11.5
163.14798	6.7
165.12680	1.8
165.16354	5.4
171.11682	1.7
173.11681	3.3
175.14848	5.9
177.16359	2.6
179.17934	4.1
189.16408	2.6
217.19501	2.2
221.13283	3.1
245.22662	27.8
263.14453	9.4
263.17871	3.5
263.20190	8.8
263.23700	60.9
264.24127	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.48065	0.6
53.03944	1.8
55.01871	0.9
55.05510	17.8
57.03439	1.7
57.07073	13.2
65.03944	1.5
67.05503	92.1
69.03417	0.9
69.07065	18.7
69.07433	1.2
70.33588	2.3
71.04993	1.8
71.08633	6.7
79.05017	1.1
79.05490	25.4
81.07055	100.0
82.07390	0.9
83.04974	2.4
83.08616	14.4
85.06550	5.2
85.10194	3.9
91.05476	19.3
91.06042	1.2
93.07044	24.5
95.04983	2.0
95.08604	90.7
97.06525	7.9
97.10165	7.4
99.08085	5.1
104.99291	2.1
105.07032	12.5
107.08589	15.5
109.06549	1.3
109.10154	43.9
111.08081	5.4
111.11739	1.0
111.19108	0.7
113.09634	4.2
119.08578	13.4
121.10135	17.5
121.10951	1.2
123.08076	2.4
123.11707	18.1
123.12608	1.0
125.09612	0.7
127.11197	1.8
131.08560	0.6
133.10121	15.9
133.11124	0.9
135.11699	10.3
137.09601	2.6
137.13261	8.6
139.11212	1.0
141.12740	1.7
147.11679	9.6
149.13255	11.0
151.11214	1.8
151.14827	8.7
155.14311	0.9
161.13263	10.8
163.14812	8.8
165.12750	1.2
165.16391	11.0
167.14339	0.8
175.14828	7.2
177.16411	1.8
179.14240	0.7
179.17940	4.0
181.15958	1.7
189.16365	3.5
203.17918	1.4
205.19569	0.7
217.19499	2.2
245.22649	31.9
246.22836	0.8
263.23697	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03936	1.2
53.39824	0.8
54.29023	0.8
55.01863	0.9
55.05512	15.8
57.03419	2.6
57.06852	0.9
57.07076	11.7
57.76226	0.8
65.03930	2.4
67.05504	85.6
69.07069	18.6
69.81905	1.6
69.82314	4.6
71.04980	2.0
71.08630	6.3
79.05492	21.5
81.07056	100.0
82.07366	1.2
83.04961	1.8
83.08615	14.0
85.06537	4.4
85.10175	3.8
91.05483	18.0
93.07045	25.7
95.04975	3.2
95.08604	84.8
97.06525	11.1
97.10167	6.6
98.06905	0.9
98.20844	1.1
99.08090	5.6
104.99267	3.2
105.07028	11.3
107.08596	14.6
109.06522	2.9
109.10155	43.9
111.08076	5.2
111.11700	1.5
113.09634	3.5
119.08589	12.5
121.10140	15.3
123.08073	2.9
123.11703	19.7
125.09619	1.6
127.11183	2.4
131.08679	0.9
133.10129	15.2
135.08066	1.0
135.11697	10.4
136.21474	0.9
137.09607	2.0
137.13249	5.9
141.12743	2.3
147.11690	10.2
149.13269	8.9
151.11259	1.8
151.14850	7.8
155.14282	1.7
156.88118	0.9
161.13255	10.8
163.14836	8.8
165.12714	1.4
165.16402	10.5
175.14856	5.6
177.12579	0.8
177.16434	1.7
179.17929	4.9
181.15880	2.1
189.16425	3.0
203.17885	2.1
206.72667	0.8
217.10196	1.0
217.19579	1.7
245.22639	33.3
263.20245	4.4
263.23697	66.7
264.24139	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	265.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01868	4.5
55.05496	11.2
55.05734	2.4
56.96562	14.2
57.03431	6.6
67.05509	12.1
69.03433	12.9
69.07057	9.6
70.76440	7.2
71.04977	4.2
72.08147	2.9
79.05495	14.1
81.03395	9.3
81.07056	14.4
81.85915	2.3
83.04971	17.3
83.08607	5.7
85.02898	7.8
85.06526	4.4
91.05463	22.2
93.07030	17.8
95.04957	9.3
95.08593	9.8
97.02871	2.9
97.06534	7.2
97.10145	3.0
98.97578	15.0
99.04437	2.4
103.03910	5.4
103.05450	7.2
105.07028	16.4
106.89907	2.9
107.04955	9.8
107.08566	18.2
109.06502	14.8
109.10151	5.5
111.04352	3.0
111.08073	6.2
115.05441	32.0
116.98614	9.3
117.07017	52.0
119.08543	12.3
120.74863	2.6
121.06502	9.0
121.10149	13.7
122.07154	18.1
123.08086	6.3
125.05988	2.7
125.07436	2.3
125.09624	12.8
125.11972	2.6
127.03864	3.1
128.06200	7.5
128.98553	3.8
129.06987	8.7
130.04057	4.2
131.04909	3.0
131.08569	12.2
133.10101	10.0
134.99667	7.5
135.04353	3.0
135.08067	18.8
135.11646	11.9
137.05963	9.8
137.09636	7.0
141.06938	2.7
143.00162	3.1
143.08545	5.8
144.04735	6.3
144.05737	4.4
145.05328	5.7
145.06480	94.9
145.10149	15.2
146.07193	2.8
147.04391	6.2
147.08041	8.8
147.11658	3.1
149.05969	7.6
149.09584	21.1
151.07539	7.1
155.06071	9.4
155.07156	3.4
156.05724	16.5
157.06519	6.5
157.10147	5.7
158.99655	4.5
159.08037	10.8
159.11678	13.0
161.01257	4.1
161.05952	7.4
161.09596	4.4
161.13275	3.1
163.07539	8.5
163.11163	34.4
165.06931	3.4
167.07047	10.3
173.05971	100.0
173.09616	5.1
173.13235	9.3
174.06731	3.9
175.07526	9.7
177.00735	3.4
177.12706	4.4
181.08545	7.9
187.07545	12.6
187.11186	30.3
189.09113	3.7
190.06233	48.8
191.06946	7.2
191.10645	4.6
194.05823	3.6
201.12727	27.7
202.06218	5.1
203.07039	18.2
205.06653	5.5
205.08589	91.6
205.12212	21.3
207.10132	3.5
215.06903	3.5
217.08586	55.7
219.10083	3.6
219.13840	5.5
221.05745	3.4
221.09573	4.4
221.15361	5.5
222.06729	4.3
224.54300	2.6
229.12254	23.4
229.19608	2.6
235.09676	5.0
237.09128	2.8
247.09668	7.5
247.13287	19.8
247.16888	3.5
265.08051	16.2
265.10971	5.8
265.14368	25.9
265.17603	4.9
266.07993	7.3
281.10742	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	265.1118
Annotation	Thiamine
Peak:m/z	Relative Intensity
53.03944	0.3
54.03465	0.7
55.05499	1.1
56.96563	1.9
57.03430	0.7
57.72283	0.2
59.05004	0.2
61.02918	1.0
68.66760	0.3
69.03437	1.7
69.89076	1.1
70.98139	0.3
71.04985	0.5
71.67362	0.2
72.04510	0.8
72.08138	0.4
73.02930	1.2
80.05008	1.1
80.05447	0.3
81.03419	0.7
81.04541	12.3
84.08139	0.3
85.02905	2.4
87.04451	0.3
97.02886	2.3
98.97573	2.3
99.04447	0.3
103.02405	0.3
104.01383	0.3
104.05323	0.2
106.19094	0.3
109.02895	0.5
110.01278	0.4
110.97552	0.6
112.99122	0.4
113.02956	1.0
114.09141	0.9
115.00691	0.3
116.98633	1.4
119.01846	0.6
121.01697	0.4
122.07152	100.0
123.07487	0.4
126.03774	1.2
127.03931	0.7
128.98611	0.7
131.00172	0.8
133.01671	0.4
134.99651	0.8
140.02290	0.3
144.04784	26.1
144.98085	0.3
145.01709	0.3
145.03502	0.3
145.04956	0.7
146.05006	0.8
146.55032	0.3
146.99663	0.7
147.03204	0.6
147.05066	0.5
148.03893	1.3
149.01195	0.4
154.03874	0.4
155.04559	1.7
155.05385	0.4
155.05702	0.6
157.04427	1.3
158.99622	0.9
161.01265	0.4
161.04620	0.5
163.02774	1.0
163.04454	0.8
164.05193	1.0
165.00819	0.3
168.03642	0.4
169.04514	0.5
170.05190	1.3
170.55312	0.5
175.02792	0.5
177.00743	0.8
177.04170	2.3
177.54309	0.4
178.04942	1.9
182.03430	0.4
182.99892	0.2
184.04907	0.7
189.00719	0.7
189.06053	0.3
193.03760	0.3
193.05453	0.4
199.05458	0.5
201.12346	0.4
205.03781	0.4
219.01830	0.6
219.05208	0.5
220.05972	0.9
237.02727	1.3
247.01306	0.3
265.11401	1.7
265.19064	0.9
279.09625	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	265.1436
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
53.03941	5.6
55.01881	5.2
55.05523	21.1
56.96581	6.7
57.00294	3.4
57.03443	5.8
57.07088	5.9
65.03947	14.7
67.05515	37.4
67.20467	3.4
69.03438	42.6
69.07059	10.6
69.86368	22.4
70.06585	7.5
71.04997	8.8
72.08154	7.5
79.05505	31.2
81.04540	10.7
81.07069	25.9
83.04984	15.5
83.08618	5.8
84.08149	9.2
85.06557	4.3
86.09720	8.9
87.04449	6.2
91.05486	60.4
93.03432	8.1
93.07053	58.7
95.04973	56.1
95.08612	28.4
97.02910	6.6
97.06544	10.5
98.97565	6.1
103.05464	8.4
105.07033	86.3
107.04975	8.5
107.08601	28.7
109.02896	3.8
109.06523	40.8
109.10137	11.3
111.04436	38.2
111.08089	10.4
113.06001	21.4
113.53822	3.7
115.05472	16.2
116.06309	5.3
117.07018	24.2
119.04979	5.4
119.08591	100.0
119.09399	7.4
120.08107	28.3
121.02874	14.7
121.06508	50.1
121.10158	14.5
122.07166	60.8
123.04427	7.8
123.08066	29.7
128.06224	6.4
129.07014	21.2
130.07823	6.4
131.08583	51.2
133.06509	11.8
133.10115	18.8
134.03511	4.1
135.04398	5.6
135.08069	89.1
137.09637	15.3
139.03917	14.4
139.07559	8.0
140.55661	3.8
141.07018	10.4
142.07791	15.6
143.08549	19.7
144.04774	14.9
144.09314	10.5
145.06508	19.1
145.10143	31.2
147.04413	7.9
147.08049	45.5
147.11690	17.4
149.06006	5.6
149.09677	18.3
151.07565	5.3
153.09117	5.2
154.07767	4.5
155.08583	10.2
156.09340	9.9
157.06528	8.0
157.10091	23.9
158.07259	22.6
158.10942	6.8
159.08052	47.3
159.11702	40.1
160.08879	5.4
161.06021	6.3
161.09656	35.2
161.13232	6.1
163.07510	5.5
165.09106	33.5
168.09331	9.1
169.10062	8.9
171.08104	11.9
171.11697	13.0
172.08842	24.2
173.09610	19.4
173.13260	26.8
175.07558	74.2
175.11142	40.5
177.05548	6.1
181.06502	4.8
181.10173	4.8
183.11700	12.3
185.09637	6.4
186.10507	9.2
187.11179	48.3
189.09126	15.3
189.12762	14.1
191.07094	4.1
193.08629	23.6
196.08881	10.0
199.11259	17.0
201.12779	33.4
203.10646	49.2
205.12181	4.8
211.11147	23.6
217.12215	28.0
219.13780	8.7
229.12221	25.5
235.13364	4.3
247.13242	48.5
265.08514	5.5
265.14310	57.7
265.17578	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	265.1547
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
55.05517	1.2
56.96558	0.4
57.03415	0.3
57.07071	0.4
67.05501	1.0
68.32167	0.2
69.03417	0.7
69.06813	0.2
69.07078	2.0
70.06583	0.9
71.04990	0.4
71.08613	0.2
71.49104	0.3
72.07768	0.4
72.08156	5.9
79.05499	1.3
81.03434	0.3
81.04532	0.7
81.07053	1.5
83.04982	0.5
83.08617	0.7
84.08141	1.6
85.02923	0.4
85.06492	0.2
86.09700	0.7
91.05491	2.1
93.07059	3.0
95.04963	1.2
95.08618	1.3
97.02870	0.3
97.06538	1.0
97.10194	0.3
100.07597	0.3
103.05469	5.8
105.03349	0.3
105.07050	1.6
107.04939	0.5
107.08580	0.7
109.06518	0.7
109.10162	0.6
109.74059	0.2
111.04443	0.5
111.08070	0.5
112.11265	0.6
112.40427	0.2
113.06045	0.3
115.05444	0.3
116.07088	0.3
116.98643	0.3
117.03386	0.2
117.07034	0.8
118.08680	1.8
119.04963	0.5
119.08608	1.6
120.08108	100.0
121.06504	0.8
121.08437	0.9
121.10160	0.7
122.06246	0.3
122.07146	4.7
123.08060	0.6
126.03674	0.2
128.06236	0.2
129.07027	0.5
129.10193	0.3
131.04904	0.4
131.08569	0.9
133.06503	0.5
133.10153	0.6
135.02962	0.3
135.08070	1.2
135.11693	0.5
136.06184	0.3
136.07600	0.3
137.09592	0.2
139.03911	0.3
144.04720	1.1
144.09308	0.2
145.06483	0.7
145.10149	0.7
147.04419	0.7
147.08034	0.8
147.11671	0.3
149.05989	0.4
152.05682	8.3
153.04092	1.1
153.05412	0.3
156.09351	0.4
157.10150	0.4
158.07259	0.5
159.08070	0.8
159.11699	0.6
161.05989	0.3
161.09633	0.5
165.09113	0.5
167.07065	0.5
172.08867	0.3
173.05951	0.4
173.09586	0.5
173.13278	0.5
175.03986	0.3
175.07619	1.0
175.11215	0.5
181.06436	0.2
183.11771	0.3
187.07605	0.6
187.11200	0.7
190.07422	0.3
193.08522	0.4
201.06583	0.6
201.12669	0.4
203.10703	0.7
205.08632	0.5
219.06621	0.3
219.10149	0.2
219.14961	1.8
224.69699	0.2
229.12225	0.5
247.07133	0.7
247.09492	0.4
247.13626	0.3
247.24269	0.6
265.12326	0.4
265.15549	4.6
265.18582	0.5
265.19260	0.4
265.21631	0.4
265.25162	1.1
266.09796	0.5
266.12509	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	265.1548
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03954	0.6
55.05515	11.4
56.05046	0.5
57.05571	0.2
57.05803	1.4
60.08450	0.2
67.05514	0.3
69.07077	0.4
69.97899	0.8
71.04996	0.2
72.08159	100.0
73.08493	0.5
79.05479	0.3
81.07058	0.4
86.09702	0.3
95.04994	0.3
95.08620	0.2
96.97387	0.2
97.02882	0.3
103.05492	0.3
105.07065	0.4
107.04980	0.4
120.08109	12.4
121.10135	0.4
122.07193	0.9
128.98546	0.2
131.04953	0.6
136.06197	0.4
159.06509	0.2
166.08650	10.9
219.14980	0.4
230.11711	0.2
265.12744	0.4
265.15509	2.6
284.21924	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	265.1798
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
51.98112	2.0
53.03949	2.8
55.01862	5.2
55.05517	20.1
56.96557	6.3
57.03432	2.7
57.07066	9.4
67.05502	60.4
69.03449	3.5
69.07066	47.0
69.80865	5.2
69.81270	8.1
71.04991	8.8
71.08614	3.8
73.06558	3.0
77.03912	2.2
79.05489	39.1
79.45503	2.2
81.03420	6.9
81.06602	4.6
81.07056	65.5
83.04997	14.2
83.08615	7.6
85.06542	9.9
91.05481	27.0
93.07038	35.4
95.04977	16.2
95.08604	49.1
96.21163	2.1
97.06538	10.6
97.10191	6.1
99.08084	4.9
105.07023	25.6
107.04967	16.3
107.08584	23.9
109.06506	13.6
109.10143	24.5
111.04449	3.6
111.08075	4.6
113.05997	2.7
117.07008	14.2
119.08569	23.3
121.06516	9.5
121.10132	22.2
122.07072	3.1
123.08070	10.0
123.11703	9.2
129.07030	5.4
131.08560	25.9
133.06557	2.6
133.10121	22.7
135.08069	10.8
135.11693	15.2
137.09653	5.0
137.13286	3.7
139.11163	2.6
143.08548	4.7
144.23926	2.0
145.06487	4.9
145.10121	31.5
147.08054	5.4
147.11665	10.6
149.09622	20.7
149.13257	6.3
151.11177	14.4
154.17905	2.5
157.10187	3.9
159.11702	8.6
161.13264	6.6
163.11160	35.8
165.09116	4.2
169.10117	3.9
173.09631	7.2
173.13205	2.8
177.12817	2.4
179.10654	8.2
179.14502	2.5
185.13306	4.2
187.11259	5.1
187.14787	5.2
189.12712	2.6
191.10674	6.2
191.17917	2.2
193.10094	2.4
195.11687	3.2
201.16354	14.3
202.17288	2.3
205.12186	3.1
209.11714	6.5
211.14853	3.6
219.17418	26.8
229.15846	14.6
243.08977	6.8
247.16919	48.2
261.10123	6.0
265.15054	4.2
265.18005	100.0
265.21619	15.8
265.25089	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	265.2159
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
53.03926	1.5
55.01861	4.9
55.05285	1.5
55.05511	19.0
56.96550	4.3
57.03432	3.0
57.07077	7.2
57.99398	1.5
62.48989	1.4
65.03941	2.0
67.05502	90.3
69.07061	19.1
71.04978	3.0
71.08254	2.2
71.08634	42.1
71.50079	1.9
79.05492	24.8
81.03401	2.8
81.07053	100.0
83.04983	5.3
83.08604	9.5
85.06532	5.7
86.66301	1.6
87.47453	1.7
91.05466	18.3
93.07037	23.8
95.04958	4.5
95.08606	78.4
96.84270	1.7
97.06554	7.4
97.10166	5.3
99.08089	41.0
105.07034	8.2
107.04956	1.8
107.08587	16.1
109.06525	2.7
109.10146	34.2
111.08102	3.2
111.11732	2.1
111.79008	1.6
117.06995	2.0
119.08582	5.4
121.10113	12.3
122.07185	2.2
123.08047	1.9
123.11684	16.8
125.05997	2.0
131.08583	4.5
133.10133	19.0
135.08032	1.6
135.11700	9.9
137.09567	1.6
137.13255	5.0
139.11235	2.3
145.10194	3.4
147.11655	3.2
148.72459	1.7
149.09610	4.4
149.13249	5.9
151.11191	6.2
151.14888	1.5
153.12770	1.6
159.11729	4.6
161.13318	1.7
163.11169	3.6
165.12735	2.7
167.10779	1.5
167.14339	3.0
173.13329	4.0
177.12747	2.1
181.12306	1.9
195.11877	1.6
195.13831	4.2
203.17960	1.4
209.15289	2.5
219.21033	2.2
221.08041	1.4
229.19585	4.0
247.20616	4.8
247.24149	1.7
265.19278	2.7
265.21677	51.9
265.24847	2.4
266.22156	1.8
269.10458	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	265.2162
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
50.03696	0.9
53.03936	2.6
55.01865	3.6
55.05510	14.5
56.96558	2.0
57.03428	2.7
57.07079	5.8
65.03935	1.9
67.05505	87.5
68.05819	1.2
69.03441	1.2
69.07070	16.0
71.05011	1.9
71.08631	50.9
71.20546	1.6
71.20868	1.2
71.65537	0.9
78.47488	0.9
79.05494	21.1
81.03407	3.1
81.07056	100.0
83.04985	5.3
83.08614	7.4
85.06542	3.7
91.05482	16.4
93.07037	20.4
94.98637	1.1
95.04976	4.6
95.08607	82.1
97.06517	5.4
97.10152	5.9
97.46603	1.1
99.08092	43.0
105.07029	7.8
107.04933	1.8
107.08593	14.7
107.37465	1.0
109.06514	4.0
109.10158	36.3
111.04512	1.1
111.08083	2.0
116.43081	0.9
117.07018	3.6
119.08591	4.6
121.06509	1.5
121.10142	13.3
122.07140	2.0
123.08108	1.6
123.11713	20.8
125.05967	1.9
125.09666	1.2
127.11193	1.8
131.08580	6.5
133.10143	23.5
135.08025	2.0
135.11696	8.4
137.09662	1.9
137.13251	5.8
139.11188	3.5
145.10109	4.8
147.11658	4.0
149.09625	2.9
149.13252	8.8
151.11232	6.5
151.14839	1.5
153.12769	2.2
155.10681	1.5
159.11710	3.0
161.13290	1.5
163.11159	2.5
163.14853	3.2
163.77808	1.0
167.10664	1.6
167.14345	3.5
173.11894	1.6
173.13295	3.1
177.12740	2.1
181.12299	1.6
187.14771	1.2
191.14281	2.4
195.13823	4.3
208.74922	1.2
209.13356	1.3
209.15425	2.0
219.21049	2.9
229.19524	3.8
241.33932	1.0
247.20552	7.8
247.24167	1.1
260.12469	1.2
265.21649	60.7
269.10568	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	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
50.59433	0.6
53.03943	1.5
55.01853	1.2
55.05511	9.3
56.96552	4.1
57.07071	7.2
65.03942	2.0
67.05502	100.0
68.05848	0.6
69.03428	0.8
69.07059	8.1
70.40847	1.8
71.04997	1.9
71.08620	1.6
77.99516	0.5
79.05492	10.1
81.03421	0.8
81.07054	70.2
83.04971	1.6
83.08625	3.9
83.73952	0.6
85.02906	0.8
85.06549	2.0
85.44968	0.5
91.05473	5.0
93.07040	10.1
95.04985	2.0
95.08604	46.7
97.06547	2.2
97.10168	1.7
99.08107	0.9
100.19146	0.6
105.07013	3.7
107.04971	1.1
107.08585	7.4
109.06526	1.3
109.10151	48.2
111.08070	0.9
111.65005	0.5
116.98625	0.8
117.07040	1.6
119.08596	3.1
121.06527	0.5
121.10147	5.3
122.07172	1.6
123.08084	1.2
123.11703	18.2
125.05997	0.8
128.02290	0.7
128.98546	0.7
131.08569	2.8
133.10133	3.4
135.08087	1.0
135.11717	3.9
135.12596	0.7
137.09615	1.7
137.13258	3.4
145.10127	2.8
146.99644	0.6
147.11723	2.5
149.09645	1.8
149.13274	2.3
151.11201	0.9
159.11751	1.9
163.11191	1.5
163.14854	1.3
165.12865	0.9
165.16650	0.6
173.11922	0.6
173.13303	2.4
177.12758	0.9
181.12262	1.5
187.14838	1.2
191.14299	0.7
195.11772	0.8
195.13846	1.3
205.15858	0.7
209.13406	0.8
209.15340	1.1
223.60860	0.6
229.19533	1.7
231.08974	0.9
243.09123	4.0
247.20488	3.0
256.41205	0.6
261.10098	4.2
265.05850	0.6
265.15018	1.0
265.18134	6.5
265.21725	21.1
283.12213	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	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03938	3.0
54.60989	0.7
55.01880	4.2
55.05509	10.2
57.03431	3.1
57.07076	4.7
61.01794	0.6
65.03925	1.2
67.05503	40.4
68.26015	0.7
69.03418	1.3
69.07070	11.0
69.69203	1.9
69.69597	1.9
71.04990	2.8
71.08628	1.0
79.05023	0.9
79.05491	17.4
81.03409	7.8
81.07056	23.3
81.07536	1.2
83.04964	5.1
83.08617	3.5
85.06536	2.1
85.10178	3.7
91.05481	10.4
93.07043	17.2
94.75278	0.7
95.04974	6.5
95.08603	100.0
96.08937	1.1
97.06525	6.2
98.20805	0.8
99.08080	1.2
105.07042	5.8
107.08607	6.1
109.06516	1.5
109.10152	9.4
111.08056	1.5
113.09645	3.5
117.07028	2.6
119.08583	2.5
121.10130	4.0
123.08057	4.1
123.11708	1.6
127.04739	0.7
131.08556	2.0
133.10124	3.4
135.11685	2.9
141.09105	3.8
145.10048	1.4
147.11665	1.4
149.13277	1.0
151.11171	3.0
159.10175	16.1
159.11559	1.7
161.13307	1.3
165.12746	5.0
195.13817	1.8
229.19328	0.7
247.20541	2.5
265.14212	1.1
265.21628	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	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
52.90192	1.0
53.03943	4.7
53.16339	1.0
55.01870	9.0
55.05508	18.0
56.96584	1.0
57.03432	5.1
57.07070	7.7
65.03956	1.6
67.05505	48.8
69.03422	1.9
69.07070	19.1
69.27924	6.8
69.28350	3.5
71.04979	4.5
71.08645	2.0
76.98293	1.0
79.05490	21.6
79.77201	1.4
80.64959	1.0
81.03416	12.9
81.07059	30.9
83.04962	6.1
83.08627	10.5
85.06533	4.2
85.10201	5.1
91.05472	13.2
93.07044	25.6
95.04970	5.7
95.08605	100.0
95.39500	1.1
97.06535	11.6
97.10160	3.1
98.20826	2.0
99.08093	2.2
105.07029	7.6
107.04939	3.6
107.08585	13.3
109.06519	3.1
109.10161	13.3
111.08076	3.7
113.09656	4.8
117.07014	4.6
119.08572	4.8
121.06525	1.6
121.10131	6.8
123.08033	3.5
123.11705	2.5
125.09594	1.4
131.08586	4.3
133.10135	4.5
135.11696	9.4
143.08559	1.5
145.10100	2.9
147.11659	1.9
149.09599	1.0
149.13216	2.5
151.11086	1.6
153.12762	2.2
159.10172	14.8
159.11650	3.8
161.13290	1.7
165.12764	4.7
169.73431	1.2
173.13298	1.9
177.12788	1.9
187.14819	1.5
195.13858	1.3
209.24084	1.0
229.19530	2.4
235.87314	1.1
247.20567	3.9
247.24182	2.5
265.14380	1.3
265.19357	1.7
265.21652	39.3
265.24768	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	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.05515	14.4
56.16835	1.3
56.96568	9.1
57.03440	2.3
57.07072	4.6
65.03934	2.6
67.05506	100.0
68.40923	1.5
69.03436	1.9
69.07066	13.2
71.05000	2.7
71.08625	2.2
71.49722	1.9
79.05497	17.8
81.03428	19.0
81.07057	90.5
83.08619	6.8
85.06548	5.1
91.05486	5.9
93.07042	16.6
95.04967	4.8
95.08607	86.6
97.06536	5.0
97.10162	3.2
105.07031	6.9
107.04964	2.2
107.08604	9.7
109.06516	5.2
109.10157	61.9
116.98645	2.8
117.07024	3.4
119.08579	5.4
121.10136	9.7
122.07166	4.2
123.04425	9.1
123.08101	4.2
123.11710	29.2
125.06027	1.8
126.05251	1.7
128.98666	1.4
131.08582	5.3
133.10153	5.9
135.08069	2.2
135.11737	6.9
137.09579	2.3
137.13266	5.7
139.11200	1.7
143.08597	2.2
145.10120	4.6
147.11670	3.9
149.09599	1.7
149.13248	3.4
151.11259	2.4
155.08588	1.9
157.10071	1.7
159.11688	3.2
161.13237	1.8
163.11147	1.9
169.01785	2.1
173.13275	4.7
181.10159	3.3
182.64597	1.4
189.04398	2.3
191.14380	2.9
193.10193	1.9
195.11743	6.7
195.13750	2.0
207.11707	1.9
209.13293	2.7
209.15251	2.9
223.14867	3.6
223.16859	2.2
229.19615	2.1
242.11533	2.2
243.09007	2.5
247.20634	4.2
265.14352	14.7
265.19308	7.7
265.21735	47.3
283.08453	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	266.1388
Annotation	Anisomycin
Peak:m/z	Relative Intensity
56.05014	1.2
56.96525	0.8
57.03419	0.8
63.87363	0.6
69.07076	4.1
69.37382	0.6
69.62862	1.6
69.63271	2.0
73.06517	0.8
74.06084	5.8
79.05465	0.8
84.08155	0.9
85.02882	0.9
86.09668	1.0
86.53105	0.5
87.04469	42.3
97.02914	0.7
97.06511	2.5
110.03497	1.0
116.98698	0.6
118.06540	0.8
120.08109	100.0
122.07205	1.1
128.04541	1.0
133.91484	0.6
135.03038	1.6
136.06241	1.7
137.73322	0.6
148.07600	2.2
152.05679	53.8
153.04089	6.5
162.07875	0.9
166.08707	2.3
180.10286	1.2
190.07336	0.9
206.11765	61.6
207.12253	1.1
221.13017	1.1
234.11400	1.3
266.14108	58.5
267.13977	1.2
287.15015	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	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
57.03429	0.4
59.04990	0.7
59.84238	0.3
61.02932	1.4
67.05510	0.3
69.03423	0.2
70.78386	0.7
71.04991	1.7
74.49305	0.2
79.05486	1.0
81.03412	1.0
81.07059	3.2
91.05519	0.3
94.04050	1.0
119.03545	2.6
130.05022	0.2
136.06184	100.0
137.04607	2.0
137.06563	0.6
150.07813	0.4
157.44516	0.2
193.12357	0.3
201.14883	0.2
234.13495	19.2
266.16113	45.9
267.16180	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	267.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01848	0.7
55.05493	1.0
57.03435	3.6
67.05516	1.8
68.62542	0.3
69.03407	0.7
69.07017	0.4
70.47263	1.1
71.04996	0.6
74.06066	0.5
79.05504	2.4
81.02936	0.7
81.03418	13.3
81.07057	1.9
83.04978	0.6
83.08625	1.8
89.03886	0.6
91.05465	3.4
93.07034	1.5
95.04979	3.2
95.08578	0.9
96.90916	0.3
97.06551	0.4
98.20872	0.4
103.05379	0.3
105.03380	2.6
105.07024	2.2
105.22535	0.3
107.04939	1.2
107.08592	0.7
109.06496	0.8
109.10178	0.4
109.17365	0.3
111.08089	1.0
115.05402	0.6
117.03365	0.6
117.07016	0.5
118.36073	0.3
119.04941	0.5
119.08582	1.8
120.04507	0.3
121.06484	0.7
121.10096	0.6
122.03614	0.7
123.04341	0.4
129.06976	0.9
131.08566	1.2
133.02855	5.0
133.06425	0.7
133.10095	0.9
134.03627	3.2
135.04414	0.3
137.05959	1.3
146.03549	0.4
147.04329	0.5
147.08051	0.6
147.11688	0.9
149.05986	4.2
149.09639	0.6
150.03117	7.6
151.03903	0.4
157.10103	0.7
161.02345	4.3
161.05853	0.5
163.03903	0.7
165.12663	0.4
169.06915	0.3
175.11153	1.5
178.02608	20.8
178.06122	0.7
179.02980	0.4
191.03389	0.9
193.04959	100.0
193.12183	3.0
194.05289	1.2
219.06471	0.5
249.11333	0.8
249.14830	0.6
267.15891	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	267.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
56.96553	0.4
64.97510	0.2
65.03931	0.4
67.05504	3.3
69.58621	1.2
69.59032	0.5
72.04533	0.3
79.05479	0.5
81.07047	0.4
84.08125	0.7
85.02876	0.4
91.05475	0.2
93.07068	0.3
94.06564	9.6
95.04917	0.4
95.08599	0.4
98.97558	0.3
100.03962	1.3
106.05885	0.3
106.06557	3.4
118.05000	0.9
122.06026	9.0
122.07131	0.7
122.31702	0.2
127.07329	0.2
136.06262	0.3
137.39447	0.3
146.04378	0.3
150.05499	100.0
151.05804	1.0
155.33591	0.3
168.06578	3.5
192.45593	0.2
207.12112	0.3
208.90390	0.3
218.96393	0.2
240.08521	0.2
254.79283	0.3
267.09802	3.8
267.13077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.134
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
50.65962	0.7
53.03943	0.8
55.01870	0.7
55.05508	1.9
56.05039	20.2
56.96564	2.3
57.03441	2.4
57.07068	2.5
58.06595	5.0
67.05501	3.2
69.03433	2.3
69.07066	3.1
70.07400	1.1
71.04988	0.9
71.08649	1.3
71.48888	1.1
71.49242	1.1
73.92327	0.7
74.06081	100.0
75.04485	1.4
79.05486	3.1
81.03419	1.3
81.04536	0.9
81.07059	4.7
81.96309	0.9
83.04976	1.1
83.08633	1.4
84.04510	3.4
85.02907	2.5
85.06561	1.1
87.04475	4.8
88.04813	1.1
91.05475	3.8
93.07043	2.1
95.04961	1.1
95.08604	5.5
97.02895	1.8
97.06523	1.4
97.10176	0.8
98.97630	1.6
98.98481	1.8
101.07159	1.7
103.05475	2.1
105.07038	1.2
107.05000	1.8
107.08586	1.6
109.10191	1.8
116.98597	1.5
119.05060	0.9
119.08590	1.0
120.08103	65.0
121.08459	7.3
121.10133	1.3
122.07174	1.0
123.08080	1.2
124.71500	1.1
128.98569	0.8
130.06514	1.0
131.04982	1.5
134.99649	1.7
136.06190	2.1
146.06003	1.3
147.08035	1.0
149.05995	1.6
150.05515	0.8
152.05685	12.2
152.06932	1.7
153.04189	1.0
153.06133	8.0
158.09659	1.1
160.11118	0.9
166.08640	42.8
176.10721	1.0
191.03851	0.8
203.11880	2.0
206.11812	1.2
207.12054	7.2
212.98515	1.9
221.12820	6.5
237.02875	0.8
238.10735	1.5
249.12399	4.0
249.18456	1.1
267.13345	14.5
268.11728	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03938	4.0
55.05516	9.8
56.00587	2.1
57.03440	18.6
57.07067	10.5
67.05505	17.2
69.03422	2.7
69.07053	5.5
69.33549	6.4
69.33964	12.5
71.08633	6.7
75.49505	1.8
79.05487	11.0
81.03421	100.0
81.07059	16.9
83.04968	4.0
83.08625	17.8
85.10196	4.7
91.05493	16.4
93.07044	6.7
95.04978	19.5
95.08083	2.1
95.08613	14.0
97.10152	4.0
98.21603	3.9
105.07018	10.6
107.04939	4.2
107.08640	3.4
109.06512	2.3
109.10159	5.8
111.08054	7.4
117.06947	2.0
119.08572	8.3
121.10130	5.3
123.08060	2.5
129.06998	6.6
131.08572	8.9
133.06395	2.3
133.10100	3.1
142.07858	2.9
147.08072	3.1
147.11681	9.9
149.09598	3.4
157.10126	8.7
175.11198	8.5
193.12209	24.2
195.70035	2.2
211.13235	4.8
267.13583	3.0
267.15942	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	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03950	4.5
55.01872	1.8
55.05510	6.2
57.03437	23.0
67.05502	12.2
69.03429	1.6
69.07052	1.8
69.92638	2.6
69.93054	1.6
71.04994	1.4
79.05495	11.6
81.03418	100.0
81.07055	9.7
83.04981	5.1
83.08617	14.1
91.05475	15.0
93.07041	8.7
93.12905	0.8
93.52200	0.7
95.04964	21.1
95.08604	4.6
97.02908	2.1
97.06548	1.0
97.10167	1.8
98.20757	0.7
99.08142	0.7
104.88522	0.7
105.07027	12.9
107.04949	4.5
107.08584	3.3
109.06507	3.1
109.10172	1.4
111.04455	1.4
111.08064	7.0
111.54941	0.6
117.07023	1.4
119.08575	11.0
121.06503	2.2
121.10146	5.2
123.08061	0.8
129.07002	7.8
131.08574	8.8
133.06514	2.8
133.10130	2.9
137.09651	1.4
142.07805	1.1
147.08063	3.4
147.11682	6.8
149.09578	3.6
157.10136	9.3
165.12790	1.5
175.11205	8.7
193.12239	23.1
207.20628	0.7
211.13297	2.7
249.14854	1.2
267.15918	45.9
268.16022	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	267.1593
Annotation	Curvularol
Peak:m/z	Relative Intensity
52.50415	0.8
52.76364	0.8
53.03955	4.5
55.01860	2.8
55.05275	1.1
55.05512	12.7
56.96570	1.3
57.03167	1.4
57.03437	21.5
65.03932	1.3
66.32533	0.8
67.05508	26.7
69.03416	3.1
69.07066	8.1
71.04975	2.4
71.19524	1.2
71.19862	1.4
79.05495	27.3
81.03421	100.0
81.07057	40.2
81.07767	1.1
83.04978	12.7
83.08621	15.3
85.06541	2.4
87.80740	0.8
91.05485	35.3
93.07050	16.2
95.04966	24.9
95.08611	13.9
97.02876	1.6
97.06522	4.2
97.10173	2.6
99.08061	1.1
105.07031	29.9
107.04947	8.0
107.08604	6.4
109.06499	5.9
109.10127	2.8
111.04451	1.9
111.08076	5.3
115.05396	1.8
117.07008	2.3
119.08585	22.0
121.06524	2.0
121.10141	8.6
123.08086	3.0
123.11721	5.2
127.07577	1.1
128.06174	1.0
129.07004	11.3
131.08582	9.2
133.06470	2.2
133.10130	8.9
137.09599	2.6
142.07767	3.6
145.10118	1.9
147.08070	3.7
147.10522	1.7
147.11685	24.3
149.09648	4.7
157.10138	13.2
163.11197	1.9
165.12752	8.4
175.11176	13.2
180.96059	0.8
193.12241	21.5
198.09837	1.0
211.13329	2.7
244.70325	1.0
259.17163	1.0
267.15921	55.8
285.10107	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.02374	0.5
53.03950	3.5
53.90520	0.5
54.15632	0.5
55.01875	2.0
55.05508	6.6
56.96582	0.7
57.03163	1.1
57.03437	18.8
58.63071	0.5
65.03919	0.5
67.05506	13.8
69.03407	2.6
69.07080	3.5
69.41071	4.6
71.05007	1.7
73.80412	0.5
76.11849	0.5
79.05495	12.3
81.03416	100.0
81.07054	14.6
82.03732	0.9
83.04981	5.1
83.08617	13.5
85.02911	0.6
85.06526	1.4
91.05478	17.1
93.07045	7.6
95.04968	20.0
95.08608	6.0
97.02886	1.6
97.06535	2.0
97.10184	1.7
98.21526	0.7
104.06013	0.5
105.07030	12.2
107.04948	4.1
107.08595	3.3
109.06520	4.3
109.10172	1.7
111.04424	0.9
111.08075	5.9
115.05450	1.0
117.07034	0.7
119.04876	0.9
119.08574	12.2
121.06487	2.6
121.10120	5.1
123.08091	2.1
123.11715	0.7
129.06992	8.4
131.08563	7.4
133.06512	3.1
133.10130	5.3
137.06052	0.7
137.09601	1.3
142.07782	2.4
145.10129	0.8
147.08047	2.7
147.11694	7.6
149.09621	4.9
151.07671	0.5
155.08575	0.8
157.10130	9.4
163.11232	1.3
165.12726	2.4
175.11198	8.7
186.41814	0.6
193.12238	18.8
197.13278	0.8
203.14296	0.8
205.12260	0.9
211.13281	2.5
247.94627	0.5
249.14986	1.7
267.15912	47.1
279.87830	0.6
285.10181	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03941	4.3
55.01877	1.5
55.05507	6.5
55.41674	0.7
57.03435	21.6
67.05510	10.5
69.03427	2.4
69.07060	2.7
70.20605	2.8
71.04999	2.1
79.05498	9.8
79.96111	0.7
81.03418	100.0
81.07056	11.6
83.04992	4.7
83.08167	1.1
83.08626	14.9
85.06562	1.1
91.05479	16.4
93.07037	7.8
95.04965	22.3
95.08608	4.9
97.02892	2.5
97.06521	1.6
97.10179	1.4
105.07030	11.7
107.04948	4.2
107.08604	2.9
109.06506	3.6
109.10161	1.5
111.04462	1.6
111.08080	6.0
115.05431	1.3
119.08587	11.2
121.06520	1.9
121.10141	3.9
123.08042	2.0
129.07016	7.1
131.08563	6.9
133.06509	2.9
133.10133	5.3
137.09560	1.5
137.34410	0.7
142.07774	2.4
145.10098	2.1
147.08022	1.3
147.11676	7.9
149.09657	3.7
157.10114	10.9
163.11180	1.1
165.12779	2.2
175.11182	9.6
186.85802	0.7
193.12247	22.2
211.13290	2.8
241.69908	0.7
249.14743	0.7
267.15906	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	267.1591
Annotation	Curvularol
Peak:m/z	Relative Intensity
51.84408	1.1
53.03951	7.8
55.01859	4.6
55.05246	1.5
55.05512	32.7
56.96563	5.7
57.03437	51.1
57.07065	1.4
58.06067	1.1
58.73909	1.2
64.17284	1.3
65.03926	6.5
67.05504	79.5
68.69602	1.2
69.03410	5.5
69.07071	23.4
69.47271	8.8
70.23352	1.2
71.04984	7.7
73.02908	1.6
73.06557	1.7
79.05494	85.1
81.03416	69.6
81.07056	79.9
81.07543	3.2
83.04980	56.1
83.08614	15.4
85.02904	2.5
85.06542	4.6
91.05482	100.0
92.32102	1.1
93.07043	49.4
94.52989	1.2
95.04968	32.3
95.08607	32.1
97.02885	4.9
97.06532	10.6
97.10149	2.2
98.97573	2.8
99.04420	1.1
99.08082	4.2
103.05468	3.9
105.07031	66.6
107.04311	2.1
107.04958	20.2
107.08591	13.5
109.06530	10.1
109.10144	6.8
111.04374	1.2
111.08102	6.3
113.06010	2.6
115.05441	3.0
117.07014	5.3
119.08578	40.6
120.08092	1.3
121.06496	4.0
121.10145	10.2
123.08058	4.3
123.11723	4.4
127.07529	3.0
128.06229	2.7
129.07001	23.2
131.08562	26.9
133.06464	4.3
133.10126	49.6
133.11124	3.0
135.11725	1.6
137.09644	2.0
142.07750	6.1
143.08585	1.9
145.10179	5.8
147.08090	9.8
147.11688	33.9
149.09604	7.9
151.11159	1.2
155.08556	2.1
157.08823	1.6
157.10126	30.5
160.05637	1.3
161.09702	2.8
163.11186	5.8
165.12747	4.6
169.10130	1.5
171.11646	1.8
175.11174	21.7
176.03369	4.8
185.03874	3.4
189.09053	2.4
193.12225	19.2
203.18106	1.3
207.13815	1.7
224.03337	1.2
225.09322	1.4
245.04677	2.4
249.14880	1.6
267.06540	2.0
267.09006	6.6
267.15939	47.8
267.20895	2.1
285.10077	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	267.1954
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
50.00771	1.2
53.03941	7.7
55.01860	5.0
55.05513	34.1
56.96567	14.4
57.03434	18.7
57.07080	3.7
59.04982	1.7
65.03933	4.2
67.05505	99.2
69.03413	5.3
69.07067	30.8
69.77097	7.9
71.04615	2.7
71.04993	45.7
71.08646	1.4
79.05495	100.0
81.02937	3.2
81.03419	63.9
81.07056	85.1
83.04987	14.4
83.08620	26.6
85.02905	1.5
85.06557	7.5
91.05482	73.3
93.07043	94.7
95.04969	30.2
95.08608	76.9
97.02870	2.3
97.06532	30.9
97.10157	8.4
98.21513	2.0
99.04498	1.7
99.08091	4.1
105.04498	1.5
105.07034	39.4
107.04943	11.6
107.08597	48.0
109.06528	10.3
109.10160	21.5
111.04435	3.4
111.08081	23.1
113.06009	1.5
113.09592	1.4
115.05441	1.8
117.07001	16.5
119.08580	37.9
121.06525	5.1
121.10143	58.0
123.08062	10.3
123.11688	7.2
125.05946	1.6
125.09641	10.0
128.06229	2.9
129.06970	12.4
131.08575	26.2
132.08899	1.7
133.06503	3.5
133.10123	28.7
135.08069	7.1
135.11691	15.9
137.09660	8.0
139.07494	1.6
139.11185	1.6
141.07021	3.1
142.07777	4.1
143.08571	8.2
145.10106	10.7
147.08051	4.2
147.11702	22.8
149.09612	5.3
149.13266	3.0
151.11211	5.2
153.09143	2.6
154.07701	2.3
155.08569	7.9
157.10146	17.9
159.11679	3.3
161.13287	3.6
163.11166	3.7
165.06989	5.8
165.12779	3.0
167.08565	2.1
167.10777	2.3
169.10104	6.9
171.11697	6.8
173.13280	5.1
175.09711	4.0
175.11160	8.4
175.14848	5.3
179.14194	1.9
181.10123	3.8
181.12314	2.5
183.08054	3.8
183.11653	8.2
184.69054	1.8
185.13274	3.6
189.12814	1.7
189.16396	8.7
193.12218	14.6
195.11646	1.7
197.09615	1.4
197.13287	10.2
199.14822	12.8
203.17941	4.0
207.17496	3.7
209.13303	3.9
211.07523	4.1
211.14839	5.2
213.16377	3.0
217.15872	6.5
221.01210	4.9
221.15306	1.7
223.14691	1.7
224.15680	2.4
225.09079	3.1
225.16440	2.7
228.77161	1.7
229.11086	2.5
231.17406	5.7
235.16951	34.2
239.07011	15.2
247.12128	2.4
249.18507	18.0
253.18010	5.0
255.09026	2.7
257.08102	2.2
267.09384	2.3
267.13763	2.1
267.15897	28.0
267.19589	23.0
267.21164	12.3
273.10129	6.2
285.10043	4.6
287.05887	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	267.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16217	0.6
52.82937	0.7
53.03940	2.0
55.01859	1.1
55.05514	9.1
56.96553	1.0
57.03437	5.3
57.07081	4.1
57.07307	0.7
67.05198	0.8
67.05505	10.8
69.03433	1.0
69.07067	9.5
70.15525	2.4
71.04982	1.3
71.08624	0.8
79.05490	6.4
81.03417	22.8
81.06603	1.1
81.07053	15.3
83.04958	2.0
83.08617	8.5
85.10165	1.3
91.05489	9.2
93.07054	8.5
95.04974	6.6
95.08602	11.2
97.06505	0.9
97.10166	2.9
98.21471	0.7
105.07034	11.2
107.04958	1.0
107.08594	6.7
109.06516	1.8
109.10159	7.9
111.04397	0.8
111.08067	1.8
113.13188	0.7
115.05450	1.2
117.07014	2.9
119.08585	9.6
121.04026	0.6
121.06488	0.8
121.10145	5.7
123.08058	1.1
123.11706	7.9
128.06206	2.2
129.06998	6.2
130.07863	0.8
131.08566	14.9
133.06429	1.0
133.10138	6.5
135.11649	2.1
137.09598	1.2
137.13251	1.5
141.07002	4.8
142.07776	4.3
143.08554	11.7
145.10126	8.4
147.08029	1.2
147.11693	5.7
149.09587	1.4
149.13290	0.7
153.06931	1.4
154.07756	3.1
155.08559	22.8
156.09326	3.3
157.10127	16.6
159.11682	6.1
161.13255	2.3
163.11195	0.7
165.06766	0.6
167.08589	5.0
168.09337	5.0
169.10127	26.5
170.10838	1.1
171.11673	8.5
173.13252	3.9
175.11150	2.5
180.09343	0.9
181.10120	4.2
182.10876	5.1
183.11684	25.4
184.12196	0.8
185.13257	10.5
187.14871	1.4
193.10262	0.7
193.12231	3.4
194.10887	0.7
195.11633	3.4
196.12550	3.3
197.13257	25.1
197.15076	1.3
198.13840	1.0
199.14783	1.7
209.13280	6.7
210.13951	1.6
211.12851	1.2
211.14822	20.3
212.15356	0.7
214.12183	0.7
223.14824	3.1
224.15594	4.6
225.09149	1.0
225.16379	12.8
226.16983	0.7
237.16444	3.1
238.17078	2.1
239.17928	3.8
249.18672	0.7
252.18694	3.3
267.15952	10.0
267.21060	100.0
268.21387	1.7
285.10071	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	267.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
54.05781	0.6
55.05517	6.0
56.96554	0.6
57.03429	1.0
57.07080	3.8
58.41973	0.6
61.56164	0.6
66.42062	0.5
67.05507	5.8
69.07063	8.3
69.91672	3.4
70.72431	0.7
79.05494	3.9
80.82372	0.6
81.03423	5.0
81.07061	10.3
83.08617	7.4
85.06538	0.6
91.05486	5.6
93.07050	5.3
95.04961	0.7
95.08615	11.3
97.10133	1.1
98.98446	2.2
105.07043	8.0
107.08594	3.8
109.06544	0.8
109.10159	4.3
117.07020	1.9
119.08578	10.1
121.10159	3.4
123.08049	1.0
123.11695	3.4
128.06203	1.5
129.07040	3.3
130.07793	1.2
131.08578	12.6
133.10129	4.4
135.11658	1.5
141.06976	2.2
142.07811	4.0
143.08557	8.7
144.09357	1.3
145.10132	10.9
146.45442	0.7
147.11688	2.7
153.07034	1.9
154.07747	1.9
155.08553	16.3
156.09364	4.5
157.10146	11.5
158.10866	0.7
159.11702	10.9
161.13257	2.0
165.07011	0.8
167.08566	5.4
168.09332	6.0
169.10123	21.9
170.10892	2.6
171.11693	8.7
173.13255	4.2
179.08504	2.2
180.09412	0.8
181.10072	6.1
182.10944	8.0
183.11702	27.8
184.12312	1.0
185.13309	4.0
185.14674	0.7
187.14818	2.1
193.10220	1.1
194.10860	1.9
195.11678	7.2
196.12515	5.2
197.13268	30.1
197.15097	1.5
198.13895	1.2
199.14809	2.1
207.11691	1.2
209.13271	15.2
210.13995	3.5
211.14838	17.8
212.15398	1.2
223.14795	3.5
224.15639	9.2
225.16386	13.9
226.38544	0.6
237.16483	4.8
238.17163	1.3
239.17947	1.7
249.16411	1.1
252.18687	3.6
267.21082	100.0
268.21423	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	267.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05510	5.2
56.96555	3.3
57.03431	2.4
57.07072	7.5
67.05502	7.3
68.62320	0.7
69.03410	1.1
69.07066	3.7
69.34345	0.8
69.57693	4.4
71.08609	1.3
79.05489	4.6
81.03419	15.8
81.07060	9.0
83.04968	1.6
83.08633	4.7
85.06525	1.0
91.05467	5.7
93.07043	7.6
95.04945	4.1
95.08604	8.9
97.10142	2.0
98.21476	0.9
99.08113	0.8
105.07029	9.8
107.04944	1.0
107.08598	5.5
109.10149	5.9
111.08072	1.5
115.05432	0.9
117.06994	1.9
119.08580	9.3
121.06416	0.7
121.10159	3.6
123.11652	1.6
128.06171	1.1
129.07002	4.7
131.08563	5.8
133.06433	0.9
133.10114	6.1
135.11693	2.1
141.06958	4.0
142.07726	2.9
143.08553	6.5
144.09366	0.9
145.10133	4.8
147.11710	3.7
149.09560	0.9
153.07028	1.7
154.07756	3.1
155.08543	11.1
156.09355	1.8
157.10124	9.9
159.11700	5.1
161.13187	1.4
167.08531	3.1
168.09351	2.9
169.10121	20.9
170.10884	2.9
171.11688	4.8
173.05913	0.7
173.13268	2.4
175.11150	1.5
181.10118	4.6
182.10934	6.0
183.11703	19.0
185.13252	8.9
193.12218	2.7
194.10893	1.5
195.11700	6.5
196.12494	4.6
197.13255	15.9
198.14113	0.8
199.14781	2.3
207.40738	0.7
209.13231	9.8
210.14040	2.3
211.12833	1.4
211.14804	24.9
212.15459	2.3
216.77513	0.8
223.14856	6.2
224.15637	4.3
225.16380	16.1
226.17082	1.0
231.21321	0.8
237.16342	3.7
238.17133	5.2
239.17970	4.3
249.18298	0.8
252.18707	3.0
267.09048	3.0
267.16071	5.6
267.21072	100.0
268.21457	2.1
285.10071	6.8
286.10178	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	268.1041
Annotation	Vidarabine
Peak:m/z	Relative Intensity
53.80797	0.1
55.01853	0.4
55.17184	0.2
56.96552	0.1
57.03433	0.6
61.02912	0.2
69.03405	0.4
70.55550	0.5
71.01337	0.2
73.02907	0.3
77.04222	0.2
78.32724	0.1
81.31483	0.1
85.02898	1.2
87.04467	1.2
91.05781	0.2
94.04074	0.4
98.20852	0.2
98.97559	0.2
108.08115	0.2
115.03937	0.2
119.03505	0.8
120.08112	0.6
121.08441	0.8
136.06184	100.0
137.04590	0.6
137.06519	0.5
138.09146	0.7
141.30322	0.2
152.07039	0.2
157.29556	0.1
159.74573	0.2
164.07053	0.2
182.08134	1.3
229.00282	0.2
232.08209	0.2
268.10535	3.4
269.10962	0.2
271.01230	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	268.1179
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
53.03938	2.7
55.01863	1.6
55.05499	0.9
56.05036	9.0
57.03432	4.5
58.06586	2.2
59.04991	2.3
60.04514	2.4
65.03938	1.9
67.05515	6.5
68.05026	2.8
68.27616	1.0
69.03441	6.5
69.07055	2.6
69.22974	9.5
70.06593	1.6
71.01347	4.6
72.04516	1.5
74.06070	1.9
79.05490	17.9
80.05023	2.5
80.05829	1.2
81.03416	8.0
81.07055	10.8
82.03735	1.5
82.06590	2.9
83.04946	2.0
84.04508	24.9
85.02906	51.1
86.06087	1.5
91.05480	19.2
92.04995	1.2
93.07052	10.0
94.06559	6.9
95.01324	1.3
95.04964	16.2
95.08586	2.0
96.04495	7.1
96.08096	1.2
97.02905	3.0
97.06533	2.3
98.20727	2.2
103.03974	1.5
103.05471	12.1
104.05058	1.1
105.03378	2.2
105.07032	3.9
106.02913	4.7
106.06557	4.8
107.04947	17.6
107.08615	2.6
108.04539	1.9
108.08092	1.5
109.02869	1.8
109.06532	4.1
110.06045	3.8
111.04472	1.1
112.03968	10.1
112.51764	1.2
115.05437	1.5
117.05761	1.9
117.07009	4.8
118.06523	5.3
119.04943	10.2
119.07308	1.2
119.08593	1.7
120.04465	4.8
120.08117	7.7
120.08896	1.7
121.06490	6.1
122.06038	6.8
122.09664	1.8
123.04425	4.6
124.03958	2.4
124.07577	2.2
125.02346	5.2
125.05959	1.7
126.05533	1.4
127.03842	1.9
128.03433	3.0
129.06982	1.7
130.06526	2.3
131.03398	4.3
131.04919	15.2
132.08078	2.6
133.05203	1.1
133.06517	1.8
134.05960	5.3
134.08716	1.1
134.09622	6.9
135.04428	1.7
135.08109	1.5
136.07582	4.1
137.05971	4.1
138.05501	65.9
138.09117	2.3
139.03917	6.3
140.07069	1.1
144.06558	9.3
144.08107	6.5
145.06522	3.0
146.05980	5.5
147.04419	8.5
148.07552	14.5
148.12044	1.1
149.02458	1.4
149.05974	4.0
150.05470	2.6
150.09132	3.7
151.03922	3.5
152.07085	5.0
152.10762	1.1
153.05490	1.4
154.05110	1.3
154.08670	1.8
158.06059	1.5
159.04405	16.6
160.07556	5.7
161.06055	1.9
162.05531	1.6
162.09149	32.0
163.07530	2.0
164.07047	7.1
165.05492	9.1
166.04996	1.9
166.08618	5.3
167.05795	3.7
168.06433	1.2
172.07526	6.4
173.06041	1.7
174.05534	3.2
174.09108	1.5
175.03918	1.8
176.07112	11.1
177.05473	8.2
178.08607	4.7
179.07004	6.8
180.06627	1.9
180.10129	6.7
181.07314	1.3
182.08066	1.9
188.07094	2.1
189.05522	1.3
190.08647	17.1
191.07030	24.0
192.06506	2.2
193.04964	4.9
194.08167	4.5
195.06590	1.5
196.09804	1.2
200.07069	3.3
201.05496	1.3
206.08176	3.3
207.06596	2.5
208.09697	46.9
209.08257	2.0
218.08128	12.8
219.06503	1.7
222.07729	1.9
222.11282	3.7
224.09129	8.9
225.07574	2.3
226.10730	4.6
232.09761	1.8
233.08041	2.0
236.09151	23.1
240.12286	9.3
250.10722	21.9
254.10277	2.2
268.08261	22.6
268.11819	100.0
268.16348	2.8
269.06412	1.4
269.12457	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	268.118
Annotation	Mortivinacin B
Peak:m/z	Relative Intensity
50.73280	0.6
51.19165	0.5
55.05494	1.0
56.96555	2.2
57.03413	0.7
67.05513	1.2
69.07057	1.0
70.06586	1.1
71.01334	0.6
71.05005	0.6
71.48515	0.6
72.31445	0.6
74.06064	1.0
77.04243	1.2
79.05492	1.5
81.07042	1.0
84.08118	1.0
85.02872	1.0
86.09717	1.5
91.05416	0.9
91.05855	0.9
93.03714	1.8
95.04958	0.7
95.08584	0.7
98.97590	1.4
106.06531	1.1
107.04938	1.6
108.53638	0.5
109.06530	0.8
116.98598	1.0
117.05676	0.7
118.06528	1.0
119.04929	0.6
120.08102	0.7
121.08437	0.7
128.98640	0.6
132.08090	1.3
134.05981	1.3
134.99666	0.6
136.06186	10.7
136.07306	0.9
136.07564	0.7
138.05463	1.6
150.05502	1.0
150.09119	0.8
151.06261	0.9
152.05730	0.9
154.06102	0.7
156.80470	0.7
160.07544	0.8
164.07063	8.6
165.07930	3.0
166.04997	3.9
166.08636	16.0
167.07072	0.7
167.08916	0.8
178.08644	2.2
179.07092	0.8
192.10124	1.3
196.09689	10.4
206.11722	1.4
210.07652	0.8
222.11250	2.1
236.09177	10.6
237.09946	5.9
238.07140	9.6
238.10725	17.7
238.13182	0.9
239.11284	0.8
245.22948	0.8
250.12947	2.2
268.11780	100.0
269.12100	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	268.9825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80968	12.8
94.93008	2.9
98.05434	2.4
99.42477	2.3
112.89607	19.2
136.93999	6.3
139.11055	2.5
162.95593	4.4
164.08154	4.5
203.66924	2.3
210.08813	3.2
252.88861	2.6
268.98267	100.0
272.82547	3.0
279.86716	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	269.1746
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03943	3.5
55.01859	4.4
55.05514	25.1
56.96558	6.9
57.03160	2.8
57.03431	34.3
57.07055	7.5
60.98081	1.5
65.03934	3.2
67.05500	78.5
69.07063	33.6
71.04990	8.3
71.08611	4.8
71.49705	2.6
71.91427	1.6
78.70853	1.6
79.05488	46.9
81.03388	2.7
81.07050	100.0
82.07333	1.7
83.04967	13.1
83.08611	21.8
85.06522	5.4
91.05472	21.1
93.07039	74.2
95.04977	9.7
95.08601	34.2
96.08869	1.8
97.06518	14.4
97.10158	4.6
99.08103	4.2
105.07037	11.2
107.04956	2.1
107.07896	3.4
107.08584	40.7
109.06508	4.0
109.10136	10.3
111.08047	9.6
111.11724	1.7
113.06043	1.9
113.09644	2.6
117.07011	11.3
119.08573	10.0
121.06421	2.4
121.10119	24.1
123.11692	4.6
129.06956	2.3
131.08569	10.7
133.10126	13.6
135.08028	3.8
135.10806	2.0
135.11694	12.5
145.10100	4.3
147.11639	2.1
149.09494	1.9
149.13258	45.8
151.11180	1.9
157.10129	3.9
158.03233	1.9
159.11676	24.7
167.14392	2.0
171.11638	4.0
177.12773	11.4
183.11533	2.1
185.13179	2.9
195.12054	1.8
195.13826	12.0
198.11591	1.7
209.13156	1.8
211.14812	1.6
228.64424	2.4
241.13489	1.8
251.20007	5.8
269.08182	2.0
269.11600	1.8
269.14978	3.4
269.17404	42.2
269.22437	4.8
269.24847	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	4.2
55.01859	4.1
55.05510	26.4
56.96564	2.7
57.03177	1.9
57.03436	32.1
57.07054	4.7
65.03929	2.8
67.05506	77.1
69.06696	2.1
69.07067	31.1
69.85795	3.1
69.86211	5.2
71.04985	5.9
71.66215	1.1
79.05495	49.1
81.03387	1.6
81.07056	100.0
82.07381	1.5
83.04987	11.2
83.08626	18.6
85.06533	5.9
91.05486	28.1
93.07046	69.8
95.04950	8.6
95.08611	29.3
97.06534	16.8
97.10157	2.7
99.08073	4.1
105.04453	1.7
105.07037	10.7
107.08600	39.8
109.06508	4.2
109.10145	6.0
111.08070	7.7
117.07037	14.0
119.08547	2.6
121.06491	2.1
121.10145	21.1
123.11698	5.5
125.09586	1.3
130.19238	1.5
131.08565	18.0
133.10130	13.8
135.08009	1.4
135.11687	13.8
139.11200	1.7
145.10109	1.7
148.17882	1.3
149.09604	2.6
149.13260	39.0
151.11176	1.8
159.11693	22.3
161.13295	1.5
177.12737	11.7
195.13820	11.1
200.52039	1.4
213.14790	1.9
251.20107	1.8
269.17444	53.9
269.22321	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.04291	1.0
53.03930	2.9
54.41226	0.9
55.01859	3.2
55.05513	21.9
56.96544	2.4
57.03442	32.2
57.07077	8.5
64.76881	0.9
65.03920	2.1
67.05506	72.9
69.03407	1.5
69.07068	31.5
69.83789	4.7
71.04996	9.1
71.08613	2.9
73.02901	1.5
79.05493	47.6
81.03415	1.5
81.07059	100.0
83.04981	10.2
83.08164	1.6
83.08624	20.8
85.06548	6.2
85.10150	1.4
91.05478	28.8
93.07047	71.5
95.04973	10.3
95.08613	30.1
97.05949	1.5
97.06533	18.0
97.10149	3.5
98.21510	1.8
99.08086	4.4
104.99259	1.8
105.07042	13.4
107.07904	2.1
107.08597	37.1
109.06517	4.4
109.10146	7.7
111.08083	9.8
111.11694	1.1
113.06004	1.6
113.09661	1.5
117.07017	11.1
119.08585	6.6
121.06524	2.5
121.10143	19.6
123.08036	1.3
123.11667	5.1
125.09617	1.3
131.08582	14.2
133.10130	16.5
135.08026	2.1
135.11699	15.5
139.11220	1.6
143.08539	3.3
144.09294	1.0
145.10109	4.5
147.11646	3.3
149.09596	3.1
149.13258	42.7
151.11191	2.4
152.59332	1.0
157.10112	4.6
159.11691	24.7
161.13268	2.7
167.14398	1.2
171.11681	3.6
173.13188	1.4
177.12758	10.6
183.11769	1.4
185.13176	2.2
195.13792	12.6
199.14795	1.9
201.16388	2.2
211.14857	2.6
213.16379	2.9
226.17139	1.8
227.17978	2.5
239.18034	1.3
251.20050	2.8
265.60822	1.1
269.17444	49.2
269.22446	26.0
269.24783	2.1
270.17749	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	3.5
53.18463	1.1
55.01863	4.6
55.05514	21.8
56.96555	3.5
57.03161	2.3
57.03436	34.0
57.07078	7.6
65.03932	2.8
67.05508	82.9
69.07072	38.4
70.83860	2.8
71.01355	2.0
71.05005	9.6
71.08630	2.4
73.02921	1.3
75.84847	1.1
79.05498	49.4
81.03412	3.8
81.07058	100.0
83.04977	11.0
83.08163	1.8
83.08624	21.2
85.02901	1.4
85.06530	6.6
87.04465	1.4
90.18029	1.1
91.05483	25.0
93.07045	77.7
94.82480	1.3
95.04958	8.5
95.08607	31.5
97.06541	16.1
97.10169	3.6
98.97556	1.7
99.08080	5.5
105.07038	13.9
107.08595	38.5
109.06521	4.3
109.10149	7.4
111.08084	10.2
113.06022	1.7
113.09646	1.3
117.07021	8.4
119.08604	5.9
121.06472	1.6
121.10139	24.6
123.08025	2.1
123.11695	3.7
125.09665	2.5
127.07573	1.6
129.07079	1.4
131.08585	13.1
133.10121	9.5
135.08066	3.0
135.11694	9.5
139.07500	1.6
139.11223	2.8
143.08531	2.7
145.10124	2.8
147.11716	3.7
149.09669	1.6
149.12057	2.6
149.13264	53.0
151.11195	1.3
153.09041	1.3
157.10146	3.6
159.11707	17.4
167.14281	1.3
169.10146	2.2
177.12787	8.7
181.10002	1.3
185.13332	1.6
195.12143	2.1
195.13802	12.8
209.13315	1.5
216.74770	1.2
251.12640	3.4
251.17960	2.4
251.20180	2.3
269.08142	2.2
269.11667	5.0
269.17410	36.8
269.22583	5.0
269.25040	2.4
270.18127	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	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.8
55.05510	30.2
56.96553	8.7
57.03434	26.2
57.07071	20.1
65.03929	4.8
67.05502	63.2
69.07070	38.5
70.11420	17.2
71.04973	11.1
71.08617	6.6
79.05499	41.2
81.03423	4.6
81.06606	7.1
81.07057	100.0
81.07536	4.8
83.04980	7.3
83.08628	25.9
85.06545	8.4
91.05477	26.9
93.07044	65.5
95.04945	8.2
95.08606	40.2
97.06526	18.1
97.10182	9.4
105.07034	18.6
107.08593	33.1
109.10149	17.3
109.87875	4.0
111.08069	10.3
117.07052	8.3
119.08575	16.1
121.10146	20.6
123.08121	6.0
123.11703	9.2
125.09669	4.7
129.07037	7.1
131.08571	15.2
133.10114	17.2
135.08078	7.9
135.11694	19.2
143.08571	10.6
145.10112	10.4
147.11717	6.0
149.13235	31.8
150.93922	4.2
151.11137	6.8
157.10114	10.8
159.11728	29.9
161.13263	6.7
171.08142	4.2
171.11646	13.0
173.13300	11.7
177.12718	7.7
181.10051	4.6
185.13182	6.2
187.14795	3.9
195.13760	11.5
199.11220	5.9
199.14806	7.8
213.12796	7.3
213.16396	7.0
227.14278	4.7
229.07458	5.9
233.18912	4.9
241.19450	3.9
246.04861	4.6
247.08482	6.9
251.20042	9.5
269.16998	26.8
269.19443	8.5
269.22592	41.1
269.24933	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	269.2263
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.03943	1.8
55.05516	13.5
57.03421	1.3
57.07067	5.1
65.03939	1.4
67.05507	29.3
68.05842	1.3
69.03424	1.3
69.07069	15.1
70.46015	3.2
71.04982	1.7
71.08624	2.4
79.05487	17.9
81.03394	1.5
81.07058	34.5
83.04971	2.0
83.08617	8.7
85.06537	1.3
85.10134	1.2
91.05479	11.1
93.06501	1.5
93.07045	21.3
95.04975	2.8
95.08609	31.1
97.02884	6.4
97.06509	1.3
97.10143	2.0
101.00842	1.4
103.02434	4.1
105.07027	14.6
105.33415	1.0
107.08598	17.3
109.06498	1.1
109.10153	14.3
115.05473	1.1
117.07045	5.1
119.01917	3.2
119.08585	19.3
121.03486	2.8
121.10152	11.3
123.11706	5.6
126.90339	0.9
128.06192	2.0
129.07013	6.3
131.01872	1.8
131.08563	14.4
133.03465	18.2
133.10135	12.7
134.03648	1.4
135.11710	7.2
137.13203	2.3
139.04185	1.6
141.07002	1.2
142.07765	4.1
143.01913	4.1
143.08560	14.0
144.09323	2.5
145.03471	2.5
145.10130	12.0
147.11682	9.1
148.04756	5.6
149.13301	5.5
151.04539	9.8
152.04672	1.4
155.01880	3.0
155.08557	3.9
155.10609	1.3
156.09334	2.3
157.10126	18.6
158.10890	1.6
159.04991	1.1
159.11681	13.6
159.55443	0.9
161.02971	6.8
161.13271	7.2
163.14787	1.6
169.10150	6.4
169.15770	1.3
170.10870	3.3
171.11685	17.5
172.12460	1.7
173.02982	2.1
173.13260	8.6
175.04579	4.7
175.14801	7.5
176.04594	0.9
183.11739	8.1
184.12473	2.2
185.13258	17.5
186.14047	1.5
187.04552	4.6
187.14790	6.9
189.06052	1.3
197.13240	8.7
198.14017	1.7
199.04578	1.7
199.14819	20.3
200.15601	1.9
201.06009	3.1
201.16389	11.1
209.13411	1.1
209.19038	1.3
211.04495	3.8
211.14819	16.2
212.04767	1.1
213.16357	15.4
214.17142	8.6
215.17874	1.5
217.05569	4.0
218.05856	1.3
225.16365	4.9
226.17134	17.8
227.17938	15.3
229.05478	1.1
239.17972	14.0
241.19522	6.6
251.20166	2.2
254.20215	7.5
269.22632	100.0
270.23007	1.3
277.07849	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	270.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02881	0.7
53.03940	1.2
55.01867	2.7
55.05505	2.9
56.05040	0.8
56.28719	0.8
56.96563	11.7
57.03440	3.6
57.07071	2.1
58.06599	1.0
59.04988	1.0
60.04519	2.9
60.05656	1.0
61.02917	3.2
66.80788	0.7
67.05516	2.0
68.05038	1.5
69.03434	6.1
69.07062	4.5
70.06592	24.5
70.98131	0.6
71.04992	3.0
71.48952	1.0
72.08156	2.1
73.02916	3.3
79.05496	1.3
80.05027	0.7
81.03425	3.7
81.04546	1.0
81.07059	1.5
81.63983	0.7
82.05303	0.8
83.04973	1.0
83.06095	3.1
84.04523	1.0
84.08150	2.8
84.96025	1.1
85.02901	9.4
86.06068	4.0
86.09711	2.2
87.04474	1.6
91.03933	1.1
91.05486	1.2
92.05009	0.8
93.04552	2.0
94.06573	1.3
95.04965	1.1
95.06093	5.0
95.08580	0.9
96.04487	1.5
96.08144	1.2
97.02894	7.2
97.06535	4.0
97.07679	1.0
98.06052	19.7
98.97581	7.8
99.04453	1.5
100.07648	0.9
101.00880	0.7
103.74029	0.7
105.58286	0.6
106.06570	1.0
107.03563	0.7
107.06071	0.7
108.04522	1.0
108.08112	2.8
109.02847	1.3
109.06466	0.8
110.06007	1.7
110.06342	1.0
110.07165	20.4
110.97604	0.8
111.02119	0.9
111.05555	1.0
111.06844	1.3
111.07515	3.2
111.09248	0.8
112.08764	3.2
113.07146	1.1
113.53347	0.9
114.05521	2.0
114.09186	1.1
115.00680	1.1
115.02406	1.8
116.07126	2.1
116.98620	6.3
119.01923	3.9
119.04958	1.1
120.08099	1.7
123.04456	1.1
123.05579	1.1
124.03934	5.7
124.07608	1.2
127.03921	2.2
127.08657	4.1
128.02336	1.6
128.98601	2.6
129.03944	1.2
131.00188	0.7
131.01964	0.9
133.01756	0.8
133.03470	3.0
133.07603	0.9
134.99666	4.5
136.06250	1.0
136.07579	3.3
136.08482	0.7
137.02858	1.3
137.07034	1.5
137.07957	1.7
137.10744	3.9
137.62724	0.7
138.05504	31.2
138.06578	1.6
138.09125	2.5
140.07079	0.9
141.06606	3.0
145.05060	1.6
146.99669	2.2
149.10783	1.4
150.09151	1.4
151.05038	5.0
152.05927	0.8
152.07048	0.8
155.02930	0.9
155.08176	3.5
156.07721	3.2
156.10315	0.8
157.10867	1.2
158.99640	1.3
161.01192	1.1
161.02931	1.1
161.04660	1.9
162.99162	0.9
164.07062	0.7
164.11838	0.9
165.05238	1.5
165.06592	21.5
165.10219	9.3
166.05865	1.0
166.08598	5.3
167.54320	1.5
168.03665	1.0
170.05229	3.0
173.02925	0.7
174.00749	1.1
176.55034	1.4
177.00758	1.9
177.04315	2.5
178.08751	0.9
179.11783	4.1
182.03372	1.1
183.08510	2.1
183.11247	4.3
183.14934	1.6
188.54807	1.4
189.04233	2.2
189.05896	0.8
190.98647	0.8
191.02263	0.9
191.04010	0.9
191.12920	0.8
192.11337	5.2
193.09724	100.0
195.05318	1.0
196.54640	0.7
206.12939	3.3
207.12520	0.8
209.12825	1.0
210.12419	1.2
211.08789	1.1
211.10770	19.3
215.02254	1.0
219.01801	2.0
222.07579	0.8
224.07903	0.9
224.11096	0.8
224.13950	12.6
228.01860	1.0
235.11911	12.1
237.02832	2.0
238.10699	1.3
242.19713	1.3
248.08086	0.9
252.14565	51.4
261.56082	0.9
270.09647	1.5
270.15775	49.7
270.27933	2.0
279.04285	0.8
288.03989	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	271.144
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.05506	1.2
56.05032	1.2
67.05505	1.6
69.07050	0.9
70.06653	0.6
70.63148	1.1
70.63520	1.3
79.05482	2.3
81.05791	1.0
81.07064	1.6
82.06602	0.8
91.05470	1.2
93.05786	0.8
93.07038	1.2
94.06571	2.0
95.08594	1.1
96.08136	3.5
103.05429	0.7
105.07004	1.5
106.06580	2.6
107.08580	1.2
108.07385	0.7
108.08121	15.2
109.10111	1.0
115.05420	0.6
117.06985	0.8
118.06525	0.7
119.08591	0.9
120.08051	1.0
121.10143	1.0
122.09675	2.3
129.06996	1.4
131.08548	1.5
132.08064	0.6
133.10143	1.2
134.06036	2.0
134.09714	0.6
135.08147	0.6
136.07584	2.1
142.07779	2.2
143.08472	1.0
144.08069	1.6
145.08958	0.9
145.10115	1.3
146.09662	1.1
147.06750	0.7
148.07555	1.4
150.09163	0.6
153.06990	1.1
154.06526	1.2
155.08519	1.0
156.08112	1.5
157.08984	0.7
157.10098	2.9
158.05977	0.6
158.09647	1.6
159.08032	2.5
159.09195	0.8
159.11697	1.2
160.11272	0.8
166.07819	1.3
168.08104	5.4
168.09335	0.9
169.08870	4.6
169.10091	0.9
170.09668	2.1
171.09192	1.3
171.11716	0.7
172.06273	0.8
172.07603	3.3
174.09175	2.4
181.10143	2.4
182.09653	2.8
183.08072	0.9
183.10411	7.7
183.11800	1.3
184.07617	0.7
184.09641	0.6
184.11212	0.8
185.10800	2.7
185.13271	1.4
186.09157	1.0
186.11493	2.1
195.09210	0.9
196.07588	6.3
197.08383	12.8
197.10490	1.1
198.09145	2.3
198.12790	7.9
199.08662	11.3
199.12312	2.0
200.10884	1.0
200.13136	1.2
208.11192	1.8
210.09172	3.5
210.11342	1.2
211.09935	22.1
212.09387	2.1
213.10228	19.8
214.10971	6.4
215.11971	0.6
215.15446	6.3
225.13873	1.5
226.12280	45.7
227.08142	1.5
227.11777	21.8
228.12578	32.2
229.12958	0.8
241.09659	2.7
241.13248	0.9
242.10526	3.4
242.14156	0.6
243.14928	32.7
244.15076	0.6
253.13397	6.8
253.19539	1.6
254.11758	3.8
255.11290	17.8
255.13925	1.1
256.12073	24.7
257.12253	0.6
269.13110	1.0
271.14413	100.0
271.20236	4.0
271.24161	1.6
272.14780	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	271.1442
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.01860	1.9
55.05503	7.2
56.05039	1.5
56.96566	7.4
57.07071	2.2
64.76492	1.7
65.02346	1.6
67.05502	12.6
69.07070	10.5
70.17363	1.6
70.72343	1.4
71.04984	2.9
75.65006	1.5
79.05495	10.5
80.05019	2.1
81.05805	1.9
81.07054	13.7
83.04987	1.6
83.08610	4.5
91.05492	10.8
93.07055	11.1
94.06553	3.0
95.04958	3.0
95.08605	12.8
96.08129	5.6
97.10184	2.6
98.22317	1.8
105.07040	11.2
106.06559	1.9
107.08604	9.3
108.08117	15.4
109.10162	8.5
115.05460	3.0
117.07022	6.5
119.08595	7.8
121.10143	7.1
122.09679	3.3
123.11710	5.2
128.06216	2.5
129.07036	4.1
131.08565	6.2
131.41104	1.6
133.10121	12.0
134.06009	3.5
135.08087	2.0
135.11678	1.9
142.07790	2.0
143.07368	1.6
143.08525	4.6
144.08147	1.8
145.06474	7.3
145.10156	6.4
147.08055	2.1
147.11659	3.7
149.13220	2.3
151.11215	3.1
153.06998	2.7
155.08569	5.5
157.10153	5.5
159.08049	11.5
159.11711	4.3
161.13283	3.7
165.07022	2.4
165.74713	1.7
166.07750	2.8
168.08099	3.0
169.08823	6.0
169.10146	4.5
171.11729	2.5
172.07596	2.6
173.09612	1.9
173.13297	2.1
174.09160	3.6
175.14845	3.6
181.10147	4.5
182.09686	2.4
183.10349	8.0
183.11736	3.6
184.07567	2.2
185.10803	4.0
185.13251	1.8
186.11577	2.2
187.14873	4.3
194.09473	2.0
196.07591	12.0
196.09918	1.9
197.08369	19.9
198.09215	4.1
198.12807	8.7
199.08653	13.1
208.11263	2.0
210.09193	4.9
211.09920	27.7
211.11766	1.4
211.14880	3.4
213.10251	23.2
214.10994	7.4
215.15443	4.7
215.17941	3.6
225.13930	2.1
225.16367	2.3
226.12282	67.9
227.11777	25.3
228.12584	39.8
228.14687	1.2
239.11804	3.6
242.10468	4.5
243.14964	40.0
245.07045	2.4
253.13364	9.3
253.15919	4.8
254.11771	2.7
255.11290	7.0
256.12091	16.3
271.14417	100.0
271.17017	16.0
271.20633	5.0
271.24084	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	271.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.7
55.05511	14.9
57.03443	25.7
57.07076	3.6
59.04999	2.9
67.05505	64.7
69.03429	2.8
69.07065	17.8
69.42907	6.0
69.43300	20.9
71.04995	9.6
79.05479	18.8
81.03414	2.7
81.06600	5.5
81.07055	63.2
83.04984	8.3
83.08627	3.6
85.06536	7.1
91.05477	45.4
93.07039	21.7
95.04981	6.5
95.08604	8.8
97.06489	2.6
98.21554	4.8
99.04455	3.1
103.05508	2.7
105.07030	49.3
107.08585	40.6
109.06544	7.8
109.10157	75.5
111.53957	3.4
113.05994	7.1
119.08545	8.0
121.10175	3.4
123.08032	3.4
123.11693	22.7
127.07548	7.2
131.08583	3.6
133.10127	100.0
145.10080	4.7
151.11180	65.1
151.65395	2.8
157.10078	4.5
159.11719	5.7
161.09605	3.2
169.12292	11.9
171.11691	3.6
179.10571	4.3
185.13306	8.2
187.14832	3.2
206.21472	2.6
215.12881	3.5
253.14450	6.7
268.61234	2.8
271.15402	57.9
271.20526	16.1
271.24072	5.2
271.27734	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	271.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.1
52.02554	1.8
53.03927	3.8
55.01878	11.9
55.05515	17.9
55.51143	1.8
56.96566	14.0
57.03217	1.9
57.03436	24.1
57.07075	4.5
60.39850	1.8
65.03931	4.3
67.05508	69.5
69.03425	10.7
69.07066	21.7
69.95016	3.7
69.95380	9.0
71.04983	10.9
73.02923	4.4
74.35123	1.6
79.05492	28.4
81.03403	5.5
81.06612	4.0
81.07059	66.2
83.04975	12.8
83.08613	8.9
83.40063	2.5
84.10046	1.7
84.96065	2.1
85.02914	3.8
85.06541	11.8
87.04465	2.0
91.05482	64.6
93.07047	28.5
95.04976	14.5
95.08608	15.4
97.02867	2.9
97.06549	13.9
97.10152	2.6
98.21449	3.0
98.97560	8.9
99.04433	3.9
99.08051	3.4
101.06021	2.9
105.07035	55.3
107.04953	4.0
107.08015	1.7
107.08588	50.3
109.06528	13.3
109.10159	85.9
111.08061	2.8
113.05975	3.9
115.05475	3.0
116.98634	7.4
117.06989	4.8
117.47277	2.0
119.04897	5.9
119.08574	12.8
120.55773	1.9
121.06528	2.6
121.10137	7.6
123.08066	5.2
123.11706	23.3
127.03108	4.6
127.07535	4.2
128.06226	4.7
128.98544	2.1
129.07030	5.3
131.04912	2.1
131.08531	11.7
133.06448	3.5
133.10129	100.0
134.99654	5.3
135.08038	2.7
135.11717	3.9
137.05971	4.4
137.09576	4.2
140.00117	1.9
141.06961	5.8
142.07784	3.5
143.00142	6.1
143.08624	4.6
143.53206	1.9
145.06485	3.4
145.10147	7.0
146.99712	2.4
147.08035	3.2
147.11696	4.7
151.11188	59.2
152.06180	5.7
153.07022	10.8
154.07797	4.3
155.06100	2.2
155.08585	11.5
157.06462	3.3
157.10104	5.9
158.99655	2.7
159.08058	14.2
159.11702	4.8
161.01244	11.3
161.09613	8.1
161.13293	2.5
165.07005	26.3
168.05666	6.7
169.06490	4.8
169.10130	5.3
169.12233	11.4
171.08109	3.2
171.11588	2.6
173.09579	4.3
173.13216	4.5
177.00688	3.3
181.06482	6.9
182.07272	3.9
183.08031	15.8
183.11728	3.7
185.13321	2.4
186.55733	2.1
187.07561	1.9
189.00661	5.4
191.00290	4.5
193.06487	4.9
196.05260	4.1
197.09555	2.4
199.07494	2.4
200.08334	2.7
201.00694	2.5
201.12845	2.7
203.02252	2.2
210.06845	3.5
211.07547	16.3
211.14772	3.0
212.08261	2.2
214.08572	4.3
215.12814	5.2
215.17975	3.4
221.06090	3.3
223.09146	2.2
225.16338	2.3
228.07814	3.9
229.15863	2.9
239.06915	3.9
240.07747	2.3
242.09431	3.6
243.10300	3.4
243.17488	2.7
249.02925	12.8
253.16130	2.5
267.04056	9.3
271.05765	2.1
271.06256	2.7
271.09671	39.9
271.14877	32.3
271.17056	15.3
271.20612	7.3
271.23776	4.7
285.04755	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	271.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.1
52.02554	1.8
53.03927	3.8
55.01878	11.9
55.05515	17.9
55.51143	1.8
56.96566	14.0
57.03217	1.9
57.03436	24.1
57.07075	4.5
60.39850	1.8
65.03931	4.3
67.05508	69.5
69.03425	10.7
69.07066	21.7
69.95016	3.7
69.95380	9.0
71.04983	10.9
73.02923	4.4
74.35123	1.6
79.05492	28.4
81.03403	5.5
81.06612	4.0
81.07059	66.2
83.04975	12.8
83.08613	8.9
83.40063	2.5
84.10046	1.7
84.96065	2.1
85.02914	3.8
85.06541	11.8
87.04465	2.0
91.05482	64.6
93.07047	28.5
95.04976	14.5
95.08608	15.4
97.02867	2.9
97.06549	13.9
97.10152	2.6
98.21449	3.0
98.97560	8.9
99.04433	3.9
99.08051	3.4
101.06021	2.9
105.07035	55.3
107.04953	4.0
107.08015	1.7
107.08588	50.3
109.06528	13.3
109.10159	85.9
111.08061	2.8
113.05975	3.9
115.05475	3.0
116.98634	7.4
117.06989	4.8
117.47277	2.0
119.04897	5.9
119.08574	12.8
120.55773	1.9
121.06528	2.6
121.10137	7.6
123.08066	5.2
123.11706	23.3
127.03108	4.6
127.07535	4.2
128.06226	4.7
128.98544	2.1
129.07030	5.3
131.04912	2.1
131.08531	11.7
133.06448	3.5
133.10129	100.0
134.99654	5.3
135.08038	2.7
135.11717	3.9
137.05971	4.4
137.09576	4.2
140.00117	1.9
141.06961	5.8
142.07784	3.5
143.00142	6.1
143.08624	4.6
143.53206	1.9
145.06485	3.4
145.10147	7.0
146.99712	2.4
147.08035	3.2
147.11696	4.7
151.11188	59.2
152.06180	5.7
153.07022	10.8
154.07797	4.3
155.06100	2.2
155.08585	11.5
157.06462	3.3
157.10104	5.9
158.99655	2.7
159.08058	14.2
159.11702	4.8
161.01244	11.3
161.09613	8.1
161.13293	2.5
165.07005	26.3
168.05666	6.7
169.06490	4.8
169.10130	5.3
169.12233	11.4
171.08109	3.2
171.11588	2.6
173.09579	4.3
173.13216	4.5
177.00688	3.3
181.06482	6.9
182.07272	3.9
183.08031	15.8
183.11728	3.7
185.13321	2.4
186.55733	2.1
187.07561	1.9
189.00661	5.4
191.00290	4.5
193.06487	4.9
196.05260	4.1
197.09555	2.4
199.07494	2.4
200.08334	2.7
201.00694	2.5
201.12845	2.7
203.02252	2.2
210.06845	3.5
211.07547	16.3
211.14772	3.0
212.08261	2.2
214.08572	4.3
215.12814	5.2
215.17975	3.4
221.06090	3.3
223.09146	2.2
225.16338	2.3
228.07814	3.9
229.15863	2.9
239.06915	3.9
240.07747	2.3
242.09431	3.6
243.10300	3.4
243.17488	2.7
249.02925	12.8
253.16130	2.5
267.04056	9.3
271.05765	2.1
271.06256	2.7
271.09671	39.9
271.14877	32.3
271.17056	15.3
271.20612	7.3
271.23776	4.7
285.04755	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	271.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01650	1.1
55.01873	13.1
55.05286	1.1
55.05514	14.0
56.96563	7.5
57.03441	26.6
57.07059	1.8
59.05024	0.9
62.71360	0.9
62.81094	0.9
65.03931	2.3
67.05508	66.2
69.03430	6.3
69.07073	18.1
70.26592	3.9
71.04997	9.6
73.02894	1.8
79.05499	22.8
81.03394	4.0
81.07062	61.0
83.04994	8.9
83.08629	4.7
85.02901	1.6
85.06558	9.1
91.05488	51.3
93.06506	1.7
93.07048	23.1
95.04972	7.9
95.08612	12.9
97.02867	1.2
97.06514	5.5
97.10163	1.5
98.97563	4.2
99.04427	3.3
99.08040	1.3
104.83553	1.0
105.07036	49.7
107.04930	2.6
107.08597	40.6
109.06522	8.7
109.10164	82.2
111.08060	2.1
113.05978	2.8
115.05476	1.1
115.07556	1.4
116.98621	2.6
117.06982	3.7
119.04929	2.2
119.08580	5.1
121.06441	1.1
121.10110	3.9
123.08065	2.9
123.11711	14.9
125.09637	1.4
127.07554	5.6
128.06177	2.1
128.98576	1.1
129.05452	2.5
129.06960	2.3
131.08582	6.4
133.10135	100.0
134.99684	1.3
135.08047	1.0
135.11684	1.5
137.05962	2.4
141.06938	2.7
142.07732	1.0
143.00092	3.2
143.08508	3.4
145.06456	1.8
145.10100	2.6
147.11656	1.4
151.11191	59.6
152.06139	1.4
153.06993	6.5
154.07768	1.8
155.08540	5.5
157.06470	1.2
157.10123	2.8
159.08058	7.2
159.11687	1.4
161.01178	4.9
161.09654	4.6
165.05466	3.1
165.06961	14.5
168.05678	2.3
169.06421	1.1
169.10112	1.5
169.12265	12.0
171.11650	1.7
173.09583	2.1
175.11241	1.3
177.00764	1.2
179.10590	2.1
181.06496	3.7
182.07179	1.5
183.08063	9.3
183.11687	2.4
185.09607	1.2
187.11179	1.7
193.06429	1.9
196.05161	2.3
197.05870	1.6
197.13243	1.2
199.11174	1.4
210.06653	1.2
211.07518	7.4
211.11118	1.1
212.08411	1.4
215.12766	3.9
221.05890	2.8
239.07083	1.7
243.17287	1.1
247.08534	1.7
249.02760	3.2
253.14241	4.1
267.03772	3.1
271.09683	17.9
271.15314	60.1
271.20422	3.3
272.10419	1.5
283.53641	1.1
285.04929	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	271.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
54.99815	1.1
55.01875	11.8
55.05276	1.1
55.05510	12.0
56.96556	2.7
57.03441	26.8
57.07062	2.1
59.24682	1.1
60.68778	1.1
64.81634	1.0
65.03925	2.4
67.05505	62.9
69.03435	5.2
69.06747	1.3
69.07070	16.4
69.40356	4.0
69.40784	5.2
71.04984	8.3
73.02911	1.6
73.06548	1.3
77.25741	1.1
79.05493	20.5
81.03399	3.5
81.07056	57.8
83.04980	9.7
83.08609	4.1
85.02882	2.0
85.06544	10.0
87.04424	1.1
87.44037	1.1
91.05484	48.6
93.07043	23.4
95.01298	1.1
95.04976	8.7
95.08615	7.4
97.06535	7.0
97.10126	1.2
98.97572	1.8
99.04436	3.5
99.08062	2.9
105.07031	48.1
107.04945	2.6
107.08593	46.3
109.06501	7.4
109.10156	83.9
111.08073	1.3
113.05983	4.5
116.98634	1.4
117.07001	2.1
119.04944	2.4
119.08570	4.6
121.06440	1.2
121.10100	2.5
123.08025	2.4
123.11709	13.4
125.09592	1.4
127.07544	6.0
128.06247	1.4
129.05479	1.4
129.06990	1.5
129.29276	1.1
131.08575	5.7
133.10129	100.0
134.10458	1.4
135.08031	1.5
135.11618	1.9
137.05952	1.3
141.07031	1.9
143.08530	2.0
145.06477	1.1
145.10088	1.3
147.94785	1.0
149.01204	2.6
151.11180	66.1
153.06955	5.2
155.08569	2.9
157.06537	1.2
159.08070	5.3
159.11725	1.6
161.09590	2.5
161.13206	1.5
165.05624	1.6
165.06982	11.1
168.05676	2.8
169.06419	1.0
169.12253	11.4
171.08000	1.2
171.11656	1.4
173.04816	1.7
173.09604	1.5
179.10699	1.4
181.06403	3.3
182.07233	1.7
183.08078	8.5
193.06339	1.0
196.05142	1.8
197.13229	1.2
201.09315	1.3
210.06828	1.8
211.07588	7.4
214.02065	1.2
215.10802	1.1
215.12668	5.0
221.05995	2.9
243.10159	2.5
243.17458	1.1
249.02803	1.1
253.14272	4.8
266.48398	1.2
271.09644	16.6
271.15335	56.6
271.20349	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	271.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64411	0.7
53.03930	1.0
55.01862	2.4
55.05512	8.2
56.96563	1.2
57.03443	7.2
57.07064	1.1
58.11106	0.6
67.05504	9.5
69.03422	0.7
69.07056	3.5
71.04966	2.1
71.50063	0.8
79.05486	8.0
81.07052	9.3
83.04985	0.9
83.08615	4.4
85.06551	0.8
91.05470	10.9
93.07043	6.2
95.04977	1.4
95.08599	6.1
97.10168	2.4
103.05459	0.8
105.07030	7.0
107.04951	1.9
107.08596	8.0
107.40514	0.8
109.10163	5.7
111.08074	2.1
111.34922	0.8
115.04752	0.8
115.05428	4.5
116.06245	1.7
117.07013	16.7
118.73907	0.7
119.04973	1.0
119.08576	8.3
121.10155	4.3
123.08067	1.3
125.09658	1.1
128.06215	3.5
129.07002	9.1
131.04926	1.5
131.08548	5.8
133.06509	2.8
133.10155	3.8
135.08034	7.4
135.11668	1.8
137.09602	1.0
141.06984	4.9
142.07771	2.2
143.08543	4.7
144.05698	11.0
145.06483	7.0
145.10121	6.5
147.08034	5.0
147.11641	1.5
151.11150	1.8
153.07057	1.0
154.07791	1.0
155.08548	3.8
157.06552	3.3
157.10120	5.0
158.07274	1.7
158.99751	1.0
159.08054	100.0
159.11674	2.2
160.08470	1.2
161.09642	2.3
167.08537	1.7
169.06471	0.9
169.10139	4.3
170.97516	1.3
171.02968	0.7
171.08076	1.5
171.11697	1.8
173.09639	9.3
173.13231	1.2
175.07582	2.7
175.14818	0.8
179.08606	1.0
181.10168	1.2
181.58501	0.7
183.08049	1.4
183.11674	1.7
185.09596	9.3
186.10321	1.3
187.07530	1.2
187.11136	1.2
187.14766	0.9
189.09183	1.0
196.12607	0.8
197.09659	2.8
197.13252	2.3
199.11172	2.3
207.11682	0.7
209.09735	0.9
211.07582	0.7
211.11241	4.6
215.14308	5.4
215.17940	1.6
225.12741	1.7
225.16400	1.9
235.14786	1.1
241.09807	0.9
243.17445	4.0
253.15909	9.4
271.16928	91.0
271.23892	4.6
272.17194	2.9
272.25690	1.1
278.60391	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	271.1692
Annotation	Hexestrol
Peak:m/z	Relative Intensity
52.64411	0.7
53.03930	1.0
55.01862	2.4
55.05512	8.2
56.96563	1.2
57.03443	7.2
57.07064	1.1
58.11106	0.6
67.05504	9.5
69.03422	0.7
69.07056	3.5
71.04966	2.1
71.50063	0.8
79.05486	8.0
81.07052	9.3
83.04985	0.9
83.08615	4.4
85.06551	0.8
91.05470	10.9
93.07043	6.2
95.04977	1.4
95.08599	6.1
97.10168	2.4
103.05459	0.8
105.07030	7.0
107.04951	1.9
107.08596	8.0
107.40514	0.8
109.10163	5.7
111.08074	2.1
111.34922	0.8
115.04752	0.8
115.05428	4.5
116.06245	1.7
117.07013	16.7
118.73907	0.7
119.04973	1.0
119.08576	8.3
121.10155	4.3
123.08067	1.3
125.09658	1.1
128.06215	3.5
129.07002	9.1
131.04926	1.5
131.08548	5.8
133.06509	2.8
133.10155	3.8
135.08034	7.4
135.11668	1.8
137.09602	1.0
141.06984	4.9
142.07771	2.2
143.08543	4.7
144.05698	11.0
145.06483	7.0
145.10121	6.5
147.08034	5.0
147.11641	1.5
151.11150	1.8
153.07057	1.0
154.07791	1.0
155.08548	3.8
157.06552	3.3
157.10120	5.0
158.07274	1.7
158.99751	1.0
159.08054	100.0
159.11674	2.2
160.08470	1.2
161.09642	2.3
167.08537	1.7
169.06471	0.9
169.10139	4.3
170.97516	1.3
171.02968	0.7
171.08076	1.5
171.11697	1.8
173.09639	9.3
173.13231	1.2
175.07582	2.7
175.14818	0.8
179.08606	1.0
181.10168	1.2
181.58501	0.7
183.08049	1.4
183.11674	1.7
185.09596	9.3
186.10321	1.3
187.07530	1.2
187.11136	1.2
187.14766	0.9
189.09183	1.0
196.12607	0.8
197.09659	2.8
197.13252	2.3
199.11172	2.3
207.11682	0.7
209.09735	0.9
211.07582	0.7
211.11241	4.6
215.14308	5.4
215.17940	1.6
225.12741	1.7
225.16400	1.9
235.14786	1.1
241.09807	0.9
243.17445	4.0
253.15909	9.4
271.16928	91.0
271.23892	4.6
272.17194	2.9
272.25690	1.1
278.60391	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	271.2055
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03931	0.8
55.05513	5.2
57.03428	2.0
57.07060	2.4
59.04985	2.7
66.45466	0.6
67.05505	5.7
69.07072	5.3
71.04988	1.3
71.49448	1.0
73.06566	0.9
76.40131	0.7
79.05491	4.3
81.07059	8.0
83.08624	4.0
85.06547	2.3
91.05486	5.7
93.07041	5.3
95.04962	1.9
95.08604	12.0
96.52194	0.6
97.10174	1.6
99.08105	1.1
105.07021	8.8
107.08580	4.8
109.06527	0.9
109.10162	6.7
111.08064	1.9
115.05442	1.2
117.07006	4.4
119.07721	1.1
119.08584	22.1
121.10135	5.1
121.50362	0.6
123.11694	2.0
128.06221	2.4
129.06987	4.8
130.07779	1.7
131.08559	9.5
133.10123	16.6
135.11705	2.6
141.07007	2.8
142.07773	9.5
143.08546	10.4
144.09395	3.8
145.10126	24.0
147.11690	2.4
153.06946	1.1
154.07744	1.0
155.08554	7.0
156.09354	11.4
157.10135	33.0
158.10863	1.5
159.02080	1.7
159.08098	4.7
159.11697	35.7
161.09630	1.5
161.13287	2.2
167.08542	1.7
168.09355	2.4
169.10127	11.3
170.10909	18.1
171.11699	22.8
173.09593	1.7
173.13283	6.1
175.14749	1.1
181.10161	2.2
182.10902	5.2
183.11705	14.6
184.12383	0.7
185.13255	51.7
186.13756	0.8
187.11290	0.9
187.14825	6.3
195.11752	2.1
196.12479	1.5
197.13261	13.1
199.14764	3.3
201.12662	1.0
201.16428	2.0
209.13298	1.7
210.14011	2.7
211.14793	8.2
213.16444	1.0
215.14459	1.3
215.18001	1.7
218.09959	0.7
223.14870	1.1
224.15541	1.4
225.16466	1.3
238.17128	1.6
243.17349	0.9
253.19501	8.0
271.20578	100.0
271.24030	7.5
272.20935	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	271.2055
Annotation	Clathrin B
Peak:m/z	Relative Intensity
55.05503	4.6
57.03416	1.5
57.07067	1.4
59.04988	2.3
67.05506	5.0
69.07059	2.8
70.68225	2.2
71.04984	1.4
79.05478	2.4
81.07073	5.4
83.08616	3.0
85.06525	2.7
91.05499	4.1
93.07050	4.9
95.04976	1.1
95.08606	8.3
99.08134	1.0
105.07040	5.3
106.62761	0.8
107.08568	2.5
109.10152	4.8
109.10837	0.8
111.08112	1.2
112.15055	0.7
117.07034	2.8
119.08577	17.8
121.10114	4.3
123.08073	0.9
123.11690	2.1
128.06187	1.9
129.07021	3.4
130.54082	0.9
131.08585	6.0
133.10123	6.2
135.11697	1.2
137.13222	1.0
141.06989	2.4
142.07785	6.4
143.08553	7.7
144.09319	3.2
145.10130	24.9
147.08009	0.9
147.11658	3.0
155.08528	4.9
156.09349	9.4
157.10127	27.2
159.11700	30.4
167.08545	1.3
168.09381	2.2
169.10121	8.7
170.10912	15.9
171.11671	18.5
173.13277	5.4
181.10158	1.5
182.10913	3.3
183.11674	13.5
184.47141	1.0
185.13260	44.3
187.14888	4.4
189.12737	1.1
195.11700	1.5
196.12468	2.8
197.13254	10.2
199.14844	3.9
201.16335	1.1
209.13301	1.2
209.41969	0.9
210.14040	1.0
211.14851	7.8
213.16344	1.1
215.18025	1.4
217.01447	0.8
219.28337	0.8
223.14873	1.8
224.15463	1.2
238.17149	1.7
253.19467	8.1
271.20572	100.0
271.23871	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	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05503	6.6
56.96557	1.9
57.07080	2.3
59.04996	2.4
67.05499	17.5
69.07064	14.2
71.04999	1.1
71.49666	1.2
79.05489	10.7
81.06606	2.3
81.07060	34.5
83.08607	5.7
85.06583	1.6
85.10193	1.6
91.05465	10.3
93.07045	26.9
95.08606	29.6
105.07027	16.3
107.08598	27.0
109.10160	22.8
117.07014	3.1
119.08592	23.6
121.10156	28.1
123.11703	14.3
129.06970	1.8
130.07811	1.8
131.08548	8.0
133.10121	15.2
135.11696	15.8
137.13206	5.3
142.07759	2.6
143.08551	4.5
144.09338	2.9
145.09093	1.8
145.10130	20.3
147.11682	13.9
149.13269	10.4
155.08521	3.1
156.09338	3.7
157.10152	12.8
159.11700	24.3
161.13257	15.2
163.14819	5.9
167.08563	1.9
169.10161	4.4
169.37827	1.5
170.10934	5.8
171.11682	8.3
173.13261	8.8
175.14845	14.8
177.16383	3.0
182.10939	2.1
183.11694	6.9
185.13234	14.9
187.14856	8.3
189.16364	7.6
197.13258	5.5
199.14793	2.4
201.16382	10.7
203.17944	2.2
211.14722	2.5
213.16385	1.8
215.17964	14.3
228.18694	2.5
229.19412	9.6
243.21275	1.6
253.19543	3.1
271.20605	41.3
271.24197	100.0
272.20859	1.7
272.24643	3.0
293.21982	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	271.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.9
57.07055	4.8
62.13987	1.9
67.05509	11.7
68.29427	1.6
69.07071	19.7
71.08598	3.3
71.27374	1.8
71.27710	2.2
79.05478	7.4
81.06608	2.2
81.07058	32.6
83.08609	4.9
88.83886	1.5
91.05476	7.4
93.07048	19.1
95.08002	1.9
95.08607	26.2
97.10148	4.5
103.75165	1.9
105.07027	28.6
107.08588	23.4
109.10152	18.4
111.11749	1.8
117.07026	3.1
119.08582	17.3
121.10134	14.1
121.85970	1.7
123.11705	10.1
124.55204	1.7
125.13282	2.7
131.08568	10.3
133.10124	13.5
135.11676	14.4
137.13255	6.3
145.10114	13.9
147.11650	11.2
149.13246	6.9
159.11685	8.7
161.13264	11.9
163.14792	5.0
173.13297	6.4
175.14845	9.4
177.16406	4.4
187.14815	16.5
189.16391	7.8
201.16374	9.9
215.17909	15.5
229.19447	4.9
243.21071	3.9
271.24197	100.0
271.28073	9.2
272.24548	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	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.12965	1.3
53.03936	2.0
55.05515	16.2
57.07071	13.3
58.07398	3.4
64.43421	1.5
66.62124	1.2
67.05506	12.8
67.94048	1.2
69.06699	1.7
69.07068	24.3
69.30912	13.1
71.08629	10.8
72.08958	3.3
74.44365	1.2
75.72309	1.2
79.05492	12.8
81.07057	34.8
83.08617	6.6
91.05481	13.4
93.07041	30.8
95.08607	28.0
97.10164	7.1
105.07035	33.2
107.08591	26.0
109.10160	20.2
111.11700	1.8
117.07028	6.7
119.08575	24.9
121.10138	18.2
123.11698	17.3
129.07042	1.6
131.08566	20.4
133.10132	23.9
135.11690	28.0
137.13269	5.8
144.09251	1.8
145.10117	18.7
147.11688	17.1
149.13225	10.6
158.15417	3.4
159.11699	17.2
159.15750	5.3
161.13274	20.5
163.14838	4.8
172.12317	2.4
173.13249	13.8
175.14836	18.2
177.16350	3.7
185.13071	1.6
187.14822	28.8
189.16403	11.8
199.14801	1.5
201.16365	13.1
201.32198	1.4
203.17924	1.7
213.16327	2.0
215.17938	25.1
229.19519	5.8
271.24207	100.0
271.28244	37.0
272.24365	1.6
283.75629	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	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.88171	0.8
53.03929	1.4
55.05513	8.3
57.07089	3.6
67.05504	16.1
69.06690	1.1
69.07062	17.3
69.44321	5.0
69.44733	1.6
71.08641	0.9
79.05067	1.4
79.05491	11.1
81.07054	35.8
82.07392	1.0
83.08618	6.4
85.06507	0.8
88.86641	0.7
91.05465	10.8
93.07042	32.5
95.04957	1.7
95.08607	42.3
97.10159	3.2
98.20791	1.6
105.07026	23.6
107.08588	34.0
109.06538	1.1
109.10154	30.9
111.11725	1.8
117.07017	4.6
119.08584	27.5
121.10143	52.1
123.08115	1.1
123.11707	12.8
129.06987	1.2
131.08560	12.5
133.09145	1.3
133.10130	19.2
135.11684	18.6
136.12132	1.2
137.13278	4.2
143.08524	2.1
144.09372	1.0
145.10124	17.5
147.11691	15.9
149.09525	1.1
149.13261	13.8
155.08575	0.9
157.10138	2.7
158.10750	1.7
159.08159	0.9
159.11684	17.2
161.13261	16.4
163.14815	8.0
169.74355	0.8
171.11737	1.9
173.13237	12.8
174.14027	0.8
175.14806	13.1
177.16377	12.2
182.95921	0.8
183.11707	1.1
185.13217	1.8
187.14827	13.9
189.16383	10.8
198.13753	0.8
199.14888	1.8
201.16391	12.8
203.17972	2.9
213.16362	3.0
215.17958	14.1
227.17941	1.1
228.18755	2.5
229.19484	7.0
243.21065	1.6
271.20844	3.5
271.24194	100.0
272.24496	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	272.1127
Annotation	Deidaclin
Peak:m/z	Relative Intensity
55.01874	0.4
56.96560	2.4
57.03432	2.1
61.02913	2.9
65.03938	4.3
67.05508	0.4
67.26122	0.3
69.03424	5.1
70.06585	1.0
70.94749	0.7
71.04991	1.0
72.08189	0.4
73.02916	3.1
80.05019	0.4
81.03397	1.5
83.04974	0.4
84.96023	0.6
85.02902	10.6
87.04455	0.9
90.01549	0.3
91.03983	0.7
92.05002	49.3
93.05305	0.3
93.05791	4.5
94.06564	7.6
97.02888	4.9
98.97573	3.8
99.04475	1.1
101.02365	0.5
106.02792	0.4
108.04499	0.4
109.02885	1.3
110.06035	100.0
110.32632	0.3
110.97585	0.5
111.06359	0.6
112.08724	0.3
112.99148	0.9
114.09141	1.0
115.09485	0.9
116.98605	1.9
118.02798	0.3
118.34473	0.3
119.01847	1.2
120.45553	0.3
127.03947	2.7
128.02240	0.4
128.98590	1.0
131.00163	1.3
131.05542	0.4
133.03450	0.5
134.06042	0.3
134.99660	0.4
139.03394	0.3
140.02341	0.8
140.07013	0.3
143.01881	0.4
145.01723	0.5
145.04984	1.3
146.02289	0.6
148.03899	0.6
149.01184	0.4
149.02798	0.6
152.07072	2.4
153.05765	2.6
154.03868	0.9
155.02837	0.5
158.99678	1.3
161.01221	0.9
161.02844	0.3
161.06644	0.6
162.06348	1.3
162.56470	0.3
163.02849	0.6
163.04408	2.0
165.12622	0.3
168.03625	0.7
169.04401	1.8
169.54552	0.3
170.03485	0.5
170.05185	0.8
170.99620	0.5
173.02930	0.5
175.02716	0.5
177.00725	1.0
177.04143	0.9
178.04941	5.3
178.55083	0.6
179.02217	0.4
182.03337	0.5
189.00760	0.9
191.03920	2.1
191.05571	0.5
194.27666	0.3
200.04369	0.5
201.47511	0.4
212.09171	0.6
219.01811	1.3
231.01779	0.4
236.09175	0.5
237.02835	0.8
248.99068	0.4
254.10291	1.9
261.02786	0.4
272.06546	0.7
272.11261	19.1
278.36716	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	272.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98894	0.7
53.03948	1.0
55.01860	2.4
55.05513	9.4
56.05034	4.1
56.96573	1.5
58.06601	1.8
60.04531	4.1
60.21104	0.8
62.06087	14.4
67.05184	0.9
67.05508	9.8
69.03423	2.1
69.07057	7.7
70.02912	0.8
70.06227	0.8
70.06591	11.1
71.04973	2.6
71.49028	1.2
72.04518	16.8
72.08145	2.4
73.02905	1.6
74.06070	2.7
79.05496	10.1
80.05016	4.8
81.03424	5.2
81.07063	15.0
82.06574	6.2
83.04974	3.4
83.08617	4.4
84.04500	1.0
84.08137	3.2
85.02925	1.1
85.05282	1.7
85.06528	1.9
86.06045	3.0
86.09701	7.4
88.07626	4.9
91.05483	13.4
92.05786	2.0
93.07056	8.4
94.06565	3.1
95.04980	1.9
95.08600	8.0
96.08103	3.5
97.06540	4.0
97.10171	2.0
98.06059	7.1
98.97570	2.2
99.08091	1.1
100.03969	1.1
100.07623	13.2
105.07039	4.9
107.08582	4.6
108.08121	1.7
109.06511	1.4
109.10144	2.2
110.06030	1.2
111.08075	1.4
112.07588	3.6
114.05515	2.1
114.09144	2.9
116.07071	6.4
116.98602	2.2
119.08566	3.1
121.10134	3.7
123.08062	1.5
123.11720	1.2
124.07584	2.7
125.09652	1.0
128.98538	1.9
129.07027	1.2
131.00194	1.2
131.08562	2.8
133.10118	2.9
138.12749	3.6
146.99571	1.8
147.08098	0.8
147.11668	2.3
149.09615	2.6
153.07083	1.1
156.13850	1.7
157.10147	1.8
158.99661	1.0
166.07266	1.6
166.12227	0.9
175.11229	1.3
182.15402	5.2
184.08325	0.9
189.00732	3.5
192.13922	1.5
193.12253	5.9
195.13756	2.1
198.14867	1.5
208.13292	1.6
208.17006	1.5
210.14896	36.0
211.13304	12.6
211.15173	0.8
226.18077	4.7
228.15947	85.9
229.16469	1.1
236.16435	4.1
244.19077	5.4
249.02905	1.6
254.17509	15.2
272.10193	2.7
272.18564	100.0
273.18735	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	272.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
56.96573	1.6
58.06596	0.7
69.03421	0.6
70.06593	0.8
70.43339	1.1
71.08627	1.8
72.08147	0.9
73.02925	0.5
80.05047	0.3
81.07075	0.3
84.08144	0.7
85.02917	1.5
86.09706	100.0
87.04450	0.4
87.05627	0.3
87.10034	0.4
91.05460	0.4
97.02901	0.8
98.97600	0.9
99.08082	2.9
107.04951	0.3
109.02907	0.4
110.06031	0.4
112.08723	0.3
116.07135	0.3
116.98636	1.4
128.10742	0.4
128.98654	0.3
129.10201	0.5
134.99617	0.7
143.00131	0.5
146.99615	0.4
149.01224	0.9
149.05945	0.4
156.13840	26.5
161.01256	1.1
170.15390	1.4
174.00679	0.3
178.81021	0.3
184.00607	0.3
187.18045	16.7
199.02829	0.4
217.03899	0.9
235.04834	0.4
237.02808	0.5
241.22762	3.5
255.01828	0.5
272.05511	0.6
272.26974	12.4
272.29922	0.6
273.06442	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	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
65.03930	0.6
67.01869	2.0
67.05522	0.3
68.99778	1.9
69.03419	1.1
69.35606	2.7
81.03426	0.4
87.26865	0.4
91.05484	5.7
95.04969	1.7
97.02897	0.9
107.04945	2.7
107.08593	0.3
111.00776	0.6
119.04945	14.8
121.06557	0.4
123.04449	3.7
147.04410	45.2
148.04736	0.8
151.03915	0.8
153.01828	100.0
154.02158	1.0
157.10129	0.4
171.02893	2.9
179.03413	0.7
189.05505	0.9
231.06491	0.5
255.06508	0.6
273.07574	69.7
273.18472	1.3
274.07855	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
55.01858	0.6
55.05503	0.5
55.49630	0.3
58.68133	0.3
67.01864	5.8
67.05495	0.9
68.99784	3.0
69.03418	1.9
69.07060	0.4
69.37896	1.9
69.38315	1.0
74.07885	0.3
79.01846	0.5
79.05466	0.6
79.17552	0.3
81.03419	0.6
81.07035	0.8
83.01347	0.5
83.04980	0.6
84.84465	0.3
91.05479	6.7
93.07049	0.4
95.04961	2.0
95.08559	0.5
97.02892	1.3
105.07002	1.1
107.04949	2.2
107.08621	0.5
111.00818	0.7
111.04475	0.6
117.07078	0.4
119.04944	15.3
119.05810	0.7
119.08571	0.7
121.02847	0.6
121.06503	1.8
121.10155	0.6
123.04447	3.0
125.02342	0.9
127.03928	0.5
128.06255	0.5
129.01878	0.7
133.10165	0.5
145.06364	0.3
145.10101	0.5
147.04411	41.0
148.04756	0.4
149.05968	1.3
151.03935	0.6
151.07545	0.6
152.06236	0.6
153.01828	100.0
153.06937	2.3
154.02167	1.5
157.06480	0.5
158.99550	0.4
160.05180	0.4
161.05917	0.5
163.07507	0.5
165.07001	0.3
171.02887	23.4
172.03123	0.4
179.03433	1.4
181.06509	2.2
185.06029	0.5
185.09746	0.4
189.05443	0.9
199.07491	0.7
203.06906	0.3
209.05974	0.5
213.09126	1.3
217.04926	0.4
227.07030	0.7
231.06580	0.6
241.08572	1.7
245.08015	0.5
255.06503	1.6
255.17622	0.4
260.01407	0.3
273.07571	71.2
273.18588	1.4
274.07877	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	273.1118
Annotation	Warburgin
Peak:m/z	Relative Intensity
53.03941	3.6
55.01871	5.6
55.05508	7.3
56.96555	4.3
57.03431	3.5
61.86819	0.8
65.03952	1.2
67.05503	9.2
69.03417	4.1
69.07066	8.4
71.04995	15.1
71.49543	1.5
73.06547	1.3
77.03915	1.8
79.05492	40.8
80.06274	5.0
80.06666	0.9
81.07054	12.2
83.04977	2.9
83.08633	1.1
85.02898	1.4
86.09693	1.3
89.03912	2.1
91.05470	7.6
93.07038	5.0
95.04966	8.6
95.08591	6.2
97.02885	1.0
97.06531	48.1
97.10211	1.0
98.97569	3.0
99.00806	0.9
102.04697	1.7
103.05445	2.2
105.03392	2.9
105.04496	1.5
105.06989	4.4
107.04935	0.9
107.08586	3.7
109.06499	1.4
109.10121	3.6
111.04441	1.4
111.08076	11.8
112.08840	5.6
115.05465	3.7
116.98569	1.8
117.03378	1.7
117.06994	4.0
117.83808	0.8
119.04938	2.2
119.08591	3.2
121.06533	1.0
121.10118	2.3
123.11716	1.2
125.01572	2.5
128.06233	2.2
129.05472	0.9
129.07008	4.7
130.04140	2.0
131.04904	4.4
131.08527	4.7
133.02859	16.5
133.06490	1.5
133.10097	3.2
134.03641	0.9
134.99649	1.8
135.04469	0.9
135.08064	1.5
135.11682	1.2
141.06981	1.7
142.07784	1.6
143.00133	1.1
143.04933	1.2
143.08534	2.7
144.05711	1.6
145.02820	2.5
145.06479	2.2
145.10123	4.2
146.99565	1.2
147.04393	11.0
147.11662	2.5
148.05212	1.3
149.05946	2.3
151.03891	3.4
151.07542	4.6
152.06213	5.6
153.05597	0.8
153.06975	3.1
155.08537	1.6
157.06488	4.5
157.10121	3.3
159.04436	6.3
159.08046	2.2
159.11707	1.9
161.01184	2.8
161.02348	6.6
161.05945	1.4
161.09634	1.2
162.03111	18.9
163.03902	16.1
165.00603	0.8
165.06990	3.2
165.09180	0.8
166.07774	1.2
167.08585	7.1
169.01634	0.8
169.06532	1.4
169.10107	1.1
170.07283	1.2
170.99657	0.9
171.04424	2.8
171.08041	2.5
171.11697	3.1
173.02342	100.0
173.13191	1.2
175.03909	3.7
175.07506	1.0
176.04718	1.8
176.06241	1.1
177.03911	1.6
177.05472	32.4
177.06815	1.4
177.09082	2.1
178.35954	0.9
181.06453	2.7
181.10057	1.2
183.08046	1.8
184.05151	2.3
185.05952	7.4
185.09633	2.1
185.13188	1.7
186.03130	1.2
187.03923	10.4
187.07518	2.2
189.00635	1.4
189.05495	1.5
195.08049	10.5
195.11714	1.1
197.05974	3.1
198.06757	2.5
199.03912	9.0
199.07555	3.0
201.05455	4.5
201.16415	0.9
207.06421	2.1
213.05557	5.3
213.09109	8.1
213.16502	0.9
215.07033	50.0
223.07544	6.7
227.02470	1.0
227.06941	0.9
231.06570	1.2
237.16420	1.3
241.08583	61.8
242.04892	2.1
242.09015	0.9
243.10147	1.1
249.02876	1.5
250.03134	1.3
255.06758	0.8
255.17456	3.4
258.04428	1.8
259.09668	1.4
268.04132	1.9
272.04510	0.9
273.06949	6.9
273.11203	65.4
273.14493	2.6
273.18494	13.4
273.21854	1.7
274.11478	0.9
286.05237	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	273.1121
Annotation	Eulophiol
Peak:m/z	Relative Intensity
53.03942	4.3
55.01863	2.0
55.05511	2.5
56.96571	9.7
57.03437	3.1
61.02927	3.3
67.05473	2.9
69.03432	7.6
69.07080	2.7
70.06590	6.5
71.04993	2.9
71.48299	2.7
71.48679	3.0
72.08151	5.1
79.05484	4.8
81.03436	2.3
81.07063	3.6
84.04501	2.8
84.08148	14.3
85.02914	16.5
86.09715	25.0
87.10041	5.4
88.03948	2.1
91.05479	14.9
93.07047	2.7
95.04973	7.0
95.08578	2.1
97.02893	10.6
97.06496	2.7
98.97588	7.4
103.05455	4.5
105.07043	4.4
107.04967	4.9
109.06518	2.5
111.04458	2.5
115.04661	2.1
115.05449	3.4
116.98638	7.4
119.04944	5.9
121.06519	26.2
121.10192	2.5
123.04451	8.4
127.03906	4.7
129.06972	2.2
129.10249	7.7
130.12325	2.8
131.04944	3.8
131.08582	2.3
133.02893	2.2
133.06422	2.2
134.03624	4.4
134.99689	5.3
135.04401	5.3
137.05981	15.7
141.07002	2.4
142.07718	2.5
143.00208	4.7
143.04904	4.0
143.13788	2.0
145.06505	3.2
146.99715	2.7
147.04451	4.1
148.05222	2.0
149.01253	10.7
149.05991	48.3
151.07552	31.0
152.06212	21.3
153.06995	78.0
155.08592	2.3
157.06543	2.7
161.01213	9.4
163.07578	4.5
165.07008	4.2
167.02235	3.4
167.07149	2.5
167.08556	6.9
169.06462	9.2
170.07303	8.9
173.04890	2.1
179.07132	3.1
180.05722	6.9
181.06487	100.0
182.07280	7.6
185.09663	2.2
188.86250	1.9
191.06856	2.1
192.73814	1.9
195.08043	10.2
197.06009	6.6
198.06772	15.7
199.02792	7.8
199.07495	3.5
201.04143	5.1
209.05980	21.4
210.06755	5.3
213.09103	58.5
217.03879	10.4
221.01047	2.6
223.07541	4.7
226.06261	5.2
227.07097	2.2
229.07550	2.0
235.04912	6.2
237.02780	3.6
239.02350	8.6
241.08606	53.4
242.09384	5.5
257.03345	8.2
258.08844	2.3
273.06998	4.1
273.08072	3.2
273.11203	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03939	2.6
55.01877	4.7
55.05515	9.9
57.03428	1.7
57.07088	0.9
65.03947	1.3
67.05149	1.1
67.05508	19.8
69.03417	2.5
69.07065	7.8
69.44999	6.2
69.66014	0.7
71.04977	1.2
79.05501	19.1
80.00700	0.7
81.03417	3.3
81.07062	22.5
83.04975	2.3
83.08614	3.2
85.06557	1.8
91.05486	28.6
93.03429	0.8
93.07050	16.5
95.04971	8.9
95.08617	19.1
97.06522	2.8
103.05471	1.4
105.07037	26.6
107.04948	9.0
107.08595	10.0
109.06523	7.0
109.10166	4.0
111.04493	0.6
111.08074	1.7
112.30524	0.7
115.05446	2.4
116.06227	1.2
117.07034	12.9
117.39452	0.7
119.04934	2.0
119.08588	19.6
121.06508	9.3
121.10146	4.5
123.08072	6.6
125.09605	1.7
128.06233	3.5
129.07007	9.8
130.07785	2.2
131.08569	22.5
133.06488	10.4
133.10130	12.6
135.08067	8.8
135.11710	2.8
137.06000	1.0
137.09631	6.4
139.11125	0.9
141.06996	1.1
142.07797	2.4
143.08557	11.6
144.09346	1.7
145.06474	3.1
145.10129	18.5
146.07321	0.9
147.08054	10.6
147.11726	5.2
149.09592	7.7
151.11143	1.5
153.01807	1.0
155.08521	2.1
157.10124	10.1
159.08087	3.7
159.11732	7.9
161.09621	19.7
161.10968	1.1
161.13289	2.1
163.11217	3.3
167.08588	1.2
169.10144	2.7
171.08063	1.4
171.11696	6.6
173.09648	4.4
173.13306	2.4
175.11185	11.0
177.09114	1.5
177.12791	0.8
179.10638	1.2
181.10127	2.2
181.96402	0.8
183.11700	1.2
185.09641	2.7
185.13248	3.6
187.11171	3.0
189.12744	4.0
191.10677	0.9
195.11723	2.5
197.13368	1.0
199.11226	2.6
199.14792	1.4
201.12717	1.0
205.12231	1.1
209.13148	1.8
211.14803	1.0
213.12724	2.8
213.16429	2.9
217.12354	2.0
227.17986	5.6
231.13921	0.9
237.16362	4.6
245.19009	10.3
255.17467	16.0
273.18509	100.0
273.29858	1.9
274.18817	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	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03936	2.3
55.01865	4.2
55.05281	0.8
55.05507	9.8
57.03424	1.9
57.07063	1.1
67.05505	17.3
69.03413	2.0
69.07066	6.1
70.20947	2.6
70.21326	1.1
71.04982	1.4
79.05491	15.6
81.03394	2.6
81.06601	1.2
81.07054	16.8
83.04969	1.9
83.08633	3.1
85.06541	1.0
91.05479	25.1
93.07037	16.4
95.04960	5.7
95.08594	10.6
97.06512	2.0
97.10155	1.1
103.05469	1.5
105.07028	27.4
107.04963	6.5
107.08596	7.4
109.06516	3.9
109.10169	3.2
111.08072	0.9
115.05443	2.5
116.06243	1.1
117.07019	11.2
119.04916	1.5
119.08585	16.5
121.06504	9.4
121.10118	5.3
123.08047	2.9
123.11699	2.0
125.09531	0.8
128.06204	3.5
129.06992	7.7
130.07748	2.1
131.04909	0.8
131.08553	20.5
132.05687	1.2
132.09206	0.8
133.06491	9.2
133.10114	12.1
135.08055	4.3
135.11668	2.2
137.09601	1.6
141.07028	1.5
142.07806	1.8
143.07581	0.7
143.08563	10.3
144.09369	1.0
145.06477	3.2
145.10117	17.7
146.07245	1.2
147.04399	0.7
147.08029	11.5
147.11673	6.4
149.09639	3.3
151.11194	1.1
152.19788	0.7
154.07753	0.7
155.08525	1.6
155.16849	0.7
157.10115	8.0
159.08022	5.2
159.11647	5.7
160.08798	0.7
161.09612	11.6
161.13228	1.6
163.07538	1.2
163.11160	1.8
167.08492	1.1
169.10100	2.1
171.08015	1.5
171.11685	6.9
173.09627	2.9
173.13242	1.7
175.11183	6.2
177.09120	1.3
177.12740	1.0
181.10072	1.2
183.11609	1.2
185.09633	2.2
185.13211	3.9
187.11174	2.5
187.14766	0.8
189.12709	2.8
191.10649	1.0
195.11639	2.4
196.24678	0.7
198.63269	0.6
199.11163	2.7
199.14781	1.3
201.12590	0.9
201.16495	0.9
203.14287	0.7
203.17966	0.8
209.13245	0.6
211.14827	1.0
213.12752	2.2
213.16309	1.0
217.12286	1.6
217.15845	0.7
217.19536	0.8
227.14455	0.7
227.17885	4.4
231.13707	1.5
231.17546	1.5
237.16331	2.1
245.18996	10.0
255.17445	9.2
273.18475	100.0
274.18784	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	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.89703	0.6
53.03942	1.1
55.01863	3.6
55.05245	0.7
55.05508	11.0
57.03428	1.6
57.07057	0.9
62.18814	0.5
65.03928	0.9
67.05145	0.7
67.05504	12.4
68.36271	0.6
69.03429	1.2
69.07064	7.0
69.63303	3.7
71.04984	1.3
79.05492	11.4
81.03387	0.7
81.07051	12.3
83.04963	1.7
83.08617	3.5
85.06541	1.0
91.05476	23.8
93.07032	8.9
95.04968	4.1
95.08598	8.5
97.06522	1.9
97.10152	2.0
99.10854	0.5
103.05457	1.5
105.03381	0.8
105.06324	0.9
105.07029	17.8
105.39249	0.5
106.07380	0.6
107.04961	3.9
107.08596	5.9
109.06499	2.4
109.10155	4.1
111.08030	0.9
115.05442	2.4
116.06240	2.1
117.07008	16.3
119.04954	1.7
119.07707	1.1
119.08572	17.0
121.06536	2.9
121.10170	2.8
123.08044	2.5
125.09620	1.0
128.06213	3.0
129.07010	10.3
130.07837	3.6
131.04916	0.6
131.08559	40.5
132.05696	0.8
133.06494	4.6
133.10141	7.0
135.08073	3.2
135.11682	1.3
141.07007	1.3
142.07785	1.3
143.08565	10.4
144.09344	1.3
145.06448	3.3
145.10118	28.4
147.08047	14.4
147.08907	0.3
147.11668	3.4
149.09589	2.5
153.01775	0.8
155.08600	1.5
156.09369	0.8
157.10132	8.3
159.08055	6.5
159.11656	7.9
161.06024	0.6
161.09621	8.8
161.13303	0.8
163.07564	0.7
163.11185	1.8
167.08525	1.3
169.10129	2.3
171.11703	5.1
173.09578	3.3
173.13274	2.1
175.11183	5.5
177.09114	0.8
177.12709	0.8
181.10083	1.7
185.09608	1.6
185.13261	2.0
187.11159	1.9
189.12730	1.4
195.11737	2.2
197.13234	0.7
199.11221	3.8
199.14822	0.8
203.10625	0.9
209.13303	0.7
211.14786	1.0
213.12724	1.1
213.16412	1.1
217.12274	1.0
227.17894	3.7
231.17442	1.0
237.16339	3.9
245.18961	4.0
255.17421	11.2
273.18488	100.0
274.18866	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	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03935	1.7
55.01876	5.8
55.05510	13.4
57.03439	1.5
57.07063	1.0
59.04998	0.9
61.58512	0.6
65.03939	1.2
67.05505	12.9
68.66513	0.6
69.03427	1.3
69.07075	8.7
69.54978	1.2
69.55392	3.1
71.04980	1.7
79.05024	1.0
79.05494	20.4
81.03414	1.6
81.07051	11.7
83.04978	2.7
83.08611	4.5
85.47144	0.6
85.51350	0.6
91.05479	32.9
93.07045	14.5
95.04974	4.3
95.08599	9.2
97.06521	2.3
97.10172	2.6
99.08059	0.8
103.05473	1.6
105.06319	1.4
105.07030	28.3
107.04224	1.0
107.04958	19.8
107.08587	11.0
109.06503	1.9
109.10140	4.8
111.08070	1.1
115.05462	3.7
116.06255	2.9
117.07020	20.8
119.04935	1.3
119.08583	33.6
121.06482	2.5
121.10132	4.2
123.08051	2.7
125.09627	1.1
128.06235	4.2
129.07010	10.6
130.07776	2.9
131.08571	27.2
132.05692	1.4
133.06502	8.0
133.10118	11.2
135.08046	16.3
135.11673	1.7
137.09624	4.6
141.06958	1.4
142.07806	3.2
143.08574	12.3
144.09290	1.3
145.06488	1.9
145.10124	29.0
146.07285	1.1
147.08049	15.6
147.11696	4.2
149.09598	4.4
155.08606	1.8
156.09431	0.7
157.10120	11.0
158.10797	0.9
159.08032	3.8
159.11697	9.0
161.09615	20.3
161.13216	1.3
163.11162	1.7
165.09068	2.1
167.08531	1.2
169.10161	2.1
171.08023	1.1
171.11636	5.4
173.09641	2.1
173.13283	2.6
175.11192	8.6
177.09038	1.4
181.10100	2.0
183.11679	1.5
185.09641	2.1
185.13202	3.3
187.11194	0.9
189.12712	2.2
195.11723	2.0
199.11206	2.4
199.14835	0.8
203.10725	0.9
203.17868	0.9
209.13264	1.4
211.14908	1.2
213.12782	1.1
213.16341	1.1
217.19508	0.9
227.17918	5.5
230.45911	0.7
231.13670	0.9
237.16408	4.4
245.18977	11.7
255.17407	9.5
262.00305	0.7
271.25851	0.7
273.18494	100.0
274.18832	1.3
280.48233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03927	2.0
55.01870	5.4
55.05286	1.0
55.05510	12.9
57.03433	1.6
57.07084	1.1
65.03930	1.8
67.05504	16.1
69.03423	2.2
69.07064	9.5
69.70235	0.9
71.01948	1.7
71.02274	0.8
71.04989	1.7
77.03916	0.8
79.05492	19.2
81.03415	2.8
81.06614	0.9
81.07056	14.0
83.04974	4.2
83.08621	4.9
85.06550	1.6
88.14937	0.8
91.05479	37.5
91.21398	0.9
93.06499	1.5
93.07042	20.6
95.04970	5.4
95.08607	13.9
97.06549	1.9
97.10148	1.7
103.05474	2.4
105.07031	38.5
107.04951	11.5
107.08586	14.9
109.06528	2.8
109.10139	5.3
111.08073	1.2
115.05447	3.8
116.06238	2.0
117.07009	15.8
119.04935	2.0
119.08579	34.4
121.06496	3.7
121.10143	5.8
123.08050	1.9
128.06210	5.9
129.06999	9.4
130.07784	2.9
131.08559	27.6
132.05713	1.1
133.06488	14.9
133.10127	15.0
135.08067	6.9
135.11691	2.0
137.09601	3.2
139.11203	0.9
141.06909	1.0
142.07785	3.1
143.08563	10.8
144.09375	1.2
145.06471	2.4
145.10114	21.8
146.07233	1.2
147.08047	9.8
147.11681	6.5
149.09642	7.1
149.13217	1.2
151.11221	0.9
153.01773	0.9
155.08629	1.3
157.10120	10.6
159.08061	2.6
159.11678	7.2
161.09618	38.2
161.13211	4.2
163.11159	2.9
163.14832	1.2
167.08473	1.0
169.10168	2.0
171.11700	6.7
173.09644	2.8
173.13258	3.9
175.11183	9.1
177.09122	1.0
181.10094	2.0
185.09630	1.6
185.11780	0.9
185.13271	3.2
187.14775	1.3
189.12689	2.3
189.16260	0.9
195.11739	1.1
199.11212	1.0
199.14801	0.9
203.14310	1.5
203.17973	1.3
211.14786	1.5
213.12677	1.8
213.16342	1.8
217.19537	2.6
227.17938	7.3
229.15948	1.0
231.17308	1.2
231.25140	2.9
237.16292	3.9
245.18991	26.3
246.19429	1.0
255.17441	11.5
255.21207	1.5
273.18491	100.0
273.21695	3.8
274.18826	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01873	1.5
55.05514	6.3
56.96550	3.5
57.03430	0.9
57.07060	3.7
59.04988	1.1
65.03931	1.1
67.01849	2.4
67.05502	7.8
67.31867	0.9
68.76847	0.8
69.03421	2.8
69.07069	5.8
69.39445	1.6
69.39851	5.9
71.04970	2.1
73.67498	0.8
79.05496	8.8
81.03394	0.9
81.07059	9.4
83.01331	1.0
83.04964	2.6
83.08598	2.1
85.02908	1.0
85.06522	2.3
91.04911	1.6
91.05473	19.4
93.07044	9.9
95.04985	6.3
95.08599	5.5
97.02867	1.5
97.06530	4.4
98.97567	3.0
103.05464	2.2
105.07024	20.1
107.04958	3.3
107.08596	10.6
109.06509	13.1
109.10165	4.8
111.04401	1.5
111.08056	1.3
115.05433	2.0
116.06255	1.3
116.98623	2.0
117.07027	8.9
119.04129	1.6
119.04945	20.2
119.08584	19.1
121.06519	1.8
121.10149	9.9
123.04411	3.8
123.08066	2.8
123.11694	1.2
128.06212	4.2
128.98669	1.1
129.07002	6.6
130.07776	2.1
131.08566	12.8
133.06494	6.6
133.10141	9.2
135.08067	6.1
135.11671	2.4
137.09604	2.3
139.11209	1.0
141.06989	3.5
142.07774	6.4
143.08563	17.8
144.09341	2.9
145.06482	1.4
145.10129	15.1
147.04408	46.8
147.08015	3.3
147.11678	6.9
148.04829	1.2
149.09624	4.2
149.13217	0.9
153.01826	100.0
153.06963	2.0
154.02173	3.1
154.07808	1.9
155.08551	8.6
156.09341	7.5
157.08826	1.1
157.10136	21.0
158.07245	1.3
158.10869	1.1
158.99631	1.0
159.08044	3.9
159.11671	7.3
159.90724	0.8
160.08803	1.0
160.96309	0.8
161.09631	5.5
161.13258	1.4
163.07707	0.8
163.11215	2.1
165.07005	3.4
166.07771	1.5
167.08582	5.8
168.09341	1.9
169.10101	13.3
170.10938	3.1
171.02890	4.4
171.04289	0.8
171.08063	1.5
171.10304	1.3
171.11690	17.5
172.12390	2.0
173.09624	12.6
173.13263	5.3
174.10426	2.1
175.11185	7.3
177.09126	1.3
179.03368	1.0
179.08540	3.0
180.09383	1.3
181.10120	6.9
182.10919	6.1
183.02557	1.0
183.11736	8.0
184.12498	0.9
185.09639	2.8
185.13232	6.2
186.14044	1.0
187.11182	2.3
187.14825	2.0
189.12741	13.8
193.10153	2.4
194.10870	1.9
195.11673	6.2
196.12482	4.6
197.09586	2.0
197.13255	26.0
198.13974	2.9
199.11179	11.6
199.14813	1.5
200.11914	1.1
207.11670	3.3
208.12349	2.7
209.13222	2.8
211.14824	11.4
212.15610	7.0
213.12703	3.8
213.16364	17.1
214.13528	1.5
215.14343	8.7
217.12216	2.8
222.14053	2.1
225.12738	2.9
227.14265	6.9
227.17795	2.0
229.15862	6.0
230.16721	2.1
231.17416	2.0
237.16345	6.3
240.15103	4.2
255.17444	36.9
273.07574	76.7
273.18494	77.2
274.07962	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05511	3.7
57.03432	1.7
57.07072	2.4
59.23774	1.3
67.05495	6.2
69.03416	1.5
69.07057	3.5
70.42580	4.3
71.04990	3.7
79.05499	6.5
81.07048	8.8
83.04974	3.5
83.08630	3.0
85.06530	5.9
91.05472	8.8
93.07054	7.4
94.06394	1.3
95.04955	19.6
95.08081	1.5
95.08587	6.9
97.06522	3.4
99.08122	2.2
105.07019	13.5
107.08585	11.7
109.06512	22.3
109.10155	7.0
111.08073	6.2
117.07002	5.7
119.08582	21.9
121.06474	2.6
121.10152	6.4
123.08075	22.9
123.11681	2.1
128.06219	3.3
129.07011	5.6
129.85486	1.3
130.07793	2.3
131.08582	15.7
133.06548	2.5
133.10139	10.1
135.08044	6.5
137.09627	8.5
141.07019	2.0
142.07809	7.4
143.08559	10.3
144.09389	2.5
145.06471	2.3
145.10123	34.2
147.08067	5.8
147.11649	11.8
149.09615	3.1
151.07533	4.0
151.11176	4.5
155.08588	3.2
156.09346	8.0
157.10155	22.4
158.10896	2.4
159.08078	3.1
159.11693	11.9
161.09621	5.7
161.13173	3.7
163.11166	2.6
167.08464	1.6
169.10143	2.8
170.10976	3.4
171.11674	19.4
172.12366	1.4
173.09633	10.2
173.13266	25.1
174.10406	2.6
175.11179	14.1
177.12738	1.8
181.10088	2.3
182.10934	3.8
183.11720	2.1
184.12370	1.5
185.09665	2.3
185.13298	7.2
187.11203	13.8
187.12759	2.1
187.14839	5.3
189.12724	17.1
195.11678	3.5
197.13292	12.7
199.11105	10.8
201.12708	1.8
203.14328	3.5
207.11682	2.4
211.14809	4.0
212.15608	2.6
213.12744	5.0
213.16379	13.1
214.13455	3.3
215.14311	32.4
217.12238	8.9
227.17851	2.2
229.15915	4.2
231.13794	3.4
231.17429	13.8
237.16428	4.3
240.15054	2.5
243.13680	1.6
255.17439	28.3
256.54959	1.4
273.18497	100.0
274.18634	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	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03936	2.2
55.01877	4.3
55.05512	27.9
55.38923	0.7
57.03426	3.3
59.04987	0.8
65.03925	1.4
67.05508	16.1
69.03424	0.9
69.07068	9.7
69.84185	3.3
71.04992	1.6
73.06573	0.8
79.05491	14.4
81.03402	0.9
81.06610	1.2
81.07056	18.2
81.07530	1.0
83.04989	2.3
83.08166	1.0
83.08623	10.6
85.06554	1.2
91.05478	35.1
93.07047	12.8
95.04951	2.9
95.08605	11.6
97.06532	2.5
97.10165	5.1
99.08132	0.9
103.05463	2.8
105.07029	29.6
107.04953	2.5
107.08600	8.2
109.06525	3.9
109.10150	4.3
111.08070	1.6
115.05463	4.5
116.06225	4.7
116.06947	0.9
117.07021	29.2
119.04964	1.6
119.08577	20.3
121.06485	1.5
121.10123	3.4
123.08073	2.4
125.09620	2.3
127.62805	0.7
128.06215	8.3
129.07014	16.2
130.07784	10.1
131.04846	1.0
131.08568	57.8
132.05743	1.0
133.06458	3.7
133.10118	9.1
135.08054	3.6
135.11708	0.8
137.09627	1.3
141.06995	1.6
142.07776	2.7
143.08562	43.4
144.09332	2.5
145.06499	1.8
145.10126	65.7
147.08046	13.5
147.11676	2.4
149.09618	1.5
154.07716	0.9
155.08569	3.9
157.06491	0.9
157.10132	15.7
159.08092	4.6
159.11697	14.3
161.09610	9.5
163.11162	1.8
167.08478	1.7
169.10133	7.0
171.08044	1.2
171.11693	9.6
173.09659	1.7
173.13171	3.5
175.11171	3.2
177.09001	1.0
181.10156	2.9
183.11676	2.5
185.09648	1.0
185.13226	3.8
187.11151	1.5
189.12788	1.0
194.10934	1.1
195.11678	6.9
199.11177	2.3
199.14851	1.8
201.12680	1.8
209.13312	1.8
211.14839	1.2
213.12791	2.0
213.16428	1.5
217.15804	1.3
224.10104	0.7
227.14313	0.9
227.17973	4.1
231.17342	0.8
237.16347	10.7
245.19040	2.3
255.17450	15.0
265.41129	0.6
273.18497	100.0
274.18793	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	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05502	14.3
57.07064	8.2
59.50666	3.4
62.09741	3.4
67.05502	22.7
69.07066	33.4
70.01004	12.4
70.01419	5.7
79.05483	16.3
81.07053	70.0
83.08607	12.0
91.05470	13.0
93.07043	36.2
95.08610	73.8
97.10141	9.0
105.07003	23.4
107.08592	53.4
109.10155	63.7
111.11683	4.6
119.08589	28.7
119.89973	3.8
121.10142	47.9
123.11713	40.4
126.56562	3.9
133.10103	17.9
135.11710	32.5
137.13252	16.8
145.10146	4.5
147.11661	16.0
149.13263	47.5
151.14806	6.3
159.11644	3.3
161.13293	23.9
163.14854	31.0
175.14830	15.8
177.16360	16.2
188.48141	3.4
189.16405	21.3
191.17990	8.6
203.17938	17.1
203.32506	3.7
217.19481	27.5
231.21101	5.4
264.73294	3.5
273.18668	6.2
273.22830	5.3
273.25739	100.0
275.39252	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	274.9749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97530	0.6
56.96563	15.8
57.16777	0.6
69.86467	3.6
71.95254	2.5
81.37417	0.6
84.08118	0.7
98.21484	1.3
98.97578	100.0
116.98617	89.7
119.01921	2.7
130.93277	0.8
134.99651	49.9
141.38307	0.6
142.03452	0.7
144.94423	0.7
153.00714	6.7
155.01324	0.6
158.01251	1.3
172.94342	4.2
177.00894	1.5
190.95383	6.3
192.98660	0.7
197.09355	0.6
208.96332	2.9
214.95413	2.1
216.98744	1.7
219.02032	1.6
221.01825	0.8
230.98383	0.6
232.96461	9.5
234.99788	4.2
240.98863	0.6
249.99187	3.0
250.97450	7.8
252.94516	0.8
256.96426	13.1
256.98981	1.0
261.03070	2.2
274.97485	90.9
275.97827	0.8
292.98520	80.4
297.99149	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	275.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76357	1.7
53.03945	2.6
55.01860	3.9
55.05498	4.9
56.05026	3.3
56.96564	100.0
57.03429	6.0
57.26204	2.1
58.06591	2.2
59.45162	1.7
61.02915	8.5
61.72548	1.9
67.05506	3.9
68.05037	1.9
69.03436	15.7
70.06590	9.7
70.98116	19.3
71.04993	5.4
71.06927	2.5
71.48849	2.9
72.08151	10.3
72.77541	1.7
73.02918	12.3
73.03267	2.1
74.06076	2.4
74.97610	4.7
78.39964	1.8
79.05488	3.4
80.05013	2.2
81.03413	7.4
81.07051	2.6
81.68780	1.9
82.06573	4.0
83.04993	2.4
84.04484	3.9
84.08143	20.2
84.96021	4.8
85.02900	20.9
86.09693	6.2
87.04443	2.2
88.03989	3.0
88.04768	1.9
88.99162	14.4
91.03931	2.3
91.05465	6.7
92.78044	1.9
93.07069	3.1
95.04971	5.2
97.02882	14.4
97.06548	2.8
98.06058	2.5
98.97583	35.4
99.04466	3.0
100.02221	3.3
101.00874	3.2
107.00199	5.7
107.04916	2.1
107.08644	2.2
108.04479	5.7
109.02845	3.1
110.97600	6.1
113.03472	2.7
113.06057	2.0
113.07093	3.7
114.05496	3.7
114.09142	5.1
116.98623	30.1
119.01919	17.4
119.04938	6.9
121.02872	2.4
122.06041	2.1
122.07018	2.0
125.07110	24.7
127.03922	3.7
128.98613	20.1
129.10252	5.6
131.01900	8.9
134.99651	24.4
137.02960	8.7
137.05974	7.2
143.01881	2.7
145.03410	12.5
146.02696	3.4
146.99644	36.2
147.04385	13.2
149.01222	3.1
149.02979	4.0
153.00665	4.2
154.08670	2.2
155.01930	2.6
156.02702	2.9
157.03452	3.5
158.99649	7.3
161.01219	6.1
161.02882	3.7
165.00725	24.3
167.00137	2.2
169.03432	4.0
170.05127	3.3
170.99635	2.5
172.97562	10.8
173.02940	11.2
174.03790	2.5
174.53699	2.0
174.99159	20.7
175.04448	3.6
177.00725	14.5
177.02225	3.6
179.07097	4.9
183.01724	3.8
185.02748	2.2
187.04524	5.0
188.97064	2.3
189.00693	4.8
190.98621	77.9
191.00365	3.9
193.00204	44.0
195.53972	3.6
199.04285	4.1
203.03917	11.8
205.00153	5.6
205.05464	2.7
207.01663	3.5
207.05377	2.3
208.04984	8.5
208.99675	26.0
211.01213	2.9
214.00124	2.2
215.03935	5.4
217.05486	17.7
217.55699	2.4
218.98175	14.5
219.01718	5.4
221.03258	1.6
221.05070	42.2
223.01268	7.8
223.53790	3.1
228.01796	3.4
229.05656	5.7
232.99635	29.5
236.99173	6.3
237.02805	15.6
247.06633	28.3
251.00690	27.1
257.05243	4.7
274.97733	3.5
275.01416	4.9
275.06485	14.2
275.11002	68.9
275.13751	3.5
275.15979	3.3
275.20590	2.5
292.98453	4.9
293.07043	6.0
295.06866	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	275.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
56.96562	1.2
58.99869	1.0
62.93491	0.6
65.03933	1.6
67.05505	3.9
69.03432	2.7
70.03291	3.4
70.03572	0.8
76.48560	0.6
77.00894	0.7
82.99867	1.6
83.04984	3.0
84.08162	1.1
86.99366	0.7
93.03400	2.9
95.04971	3.1
97.02892	2.5
98.97598	3.0
101.00875	20.7
101.01511	1.2
103.02399	1.1
105.00368	1.4
109.01434	2.0
111.04449	2.5
113.00820	1.0
115.02428	2.1
116.98633	1.7
119.01922	100.0
120.02014	2.0
121.02849	7.7
121.03461	0.6
125.04483	1.6
125.46681	0.7
127.02412	10.9
129.03975	1.4
130.92387	0.7
131.01881	1.9
133.03468	2.0
134.99696	0.9
137.02956	30.5
139.02405	1.5
139.03912	2.7
141.04024	1.0
141.86563	0.6
143.01877	4.7
143.05582	1.7
145.03465	77.1
146.03596	1.5
147.01370	1.2
147.05013	1.4
151.02458	1.8
153.03946	1.8
155.01871	0.9
157.03462	15.8
159.05023	2.7
161.02951	10.7
161.06584	2.2
163.04527	8.0
167.01923	1.4
169.03458	54.6
170.03619	1.6
171.01332	0.9
171.05017	14.4
173.03000	1.6
175.04526	5.5
177.06023	1.2
179.01978	1.0
183.05026	1.6
185.02956	26.2
185.06615	2.4
187.04520	91.5
188.04700	3.8
189.02521	3.3
189.06105	2.8
192.61127	0.8
193.03482	1.4
195.05042	5.3
197.02927	14.6
203.03999	10.9
203.07448	0.7
205.05589	16.3
207.03352	1.0
210.06064	0.9
211.04468	5.2
213.02495	2.3
213.06065	4.6
215.04008	19.2
216.04390	1.1
221.03014	5.9
221.04990	1.4
227.04095	0.8
229.05582	37.3
230.05745	0.8
231.03439	4.2
231.07085	1.3
233.04993	1.1
239.03976	2.6
239.06175	1.1
247.06621	26.2
248.06912	1.6
249.04521	2.4
257.04947	3.4
275.06110	78.0
276.06308	4.7
293.07169	20.5
294.07492	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	275.0914
Annotation	3,3',5,5'-Tetrahydroxy-4-methoxystilbene
Peak:m/z	Relative Intensity
53.03935	2.1
55.01860	4.2
55.05518	6.0
56.96556	1.7
57.03420	1.7
57.07056	1.2
65.03946	4.5
65.09825	0.5
67.05507	9.0
67.99742	0.6
69.03415	2.2
69.07069	16.3
70.04205	0.6
70.50877	2.2
71.04972	0.9
77.03914	1.1
79.05491	14.5
80.06244	0.7
81.03424	1.4
81.07050	7.6
83.04977	6.5
83.08611	2.1
85.06509	0.7
89.03912	1.5
91.05475	11.0
93.03390	1.7
93.07043	7.5
94.04154	0.6
95.04951	3.9
95.08608	5.4
97.06528	22.3
97.10160	1.1
98.07318	3.0
105.03384	3.6
105.07033	13.8
107.04979	4.0
107.08601	6.0
109.06483	1.8
109.10150	2.8
111.08102	0.8
115.05430	1.1
117.03380	1.7
117.07024	3.8
119.04958	0.6
119.08584	9.1
121.02846	3.6
121.06489	2.3
121.10133	2.9
122.03663	1.7
123.04425	4.5
123.08062	2.0
129.06914	1.0
131.08566	5.8
133.02859	16.5
133.06532	1.0
133.10123	8.4
135.04420	4.1
135.08063	1.5
135.11679	2.3
137.09630	0.9
143.08563	1.5
145.10141	5.8
147.04387	0.7
147.08020	1.0
147.11682	6.3
149.02332	17.1
149.09644	3.1
149.13167	0.8
150.03133	8.1
155.08604	1.0
157.10104	1.1
159.11673	3.1
161.02342	2.0
161.13248	1.5
163.03992	1.1
163.11205	1.5
169.10118	0.8
171.11667	0.9
173.13271	1.5
175.03909	3.4
175.11211	0.8
177.01836	12.8
177.12747	1.0
178.02608	23.3
179.03389	100.0
180.03735	0.7
183.11780	0.9
183.36868	0.6
187.11259	0.7
189.01831	38.6
190.02155	1.0
191.03444	1.4
191.14359	1.3
197.13327	0.6
201.05396	1.2
203.03438	1.1
203.06992	1.0
205.04994	1.7
229.19403	0.6
231.06519	30.7
239.17957	2.0
247.20793	0.6
257.08142	1.0
257.18921	3.9
275.09140	79.1
275.20068	38.0
276.09549	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	275.1276
Annotation	Batatasin II
Peak:m/z	Relative Intensity
53.03948	1.6
55.01861	1.5
55.05510	5.2
56.80196	0.9
56.96563	4.3
57.03432	3.7
57.07067	2.1
64.94273	0.9
65.03944	1.2
67.05502	7.8
68.23554	0.9
69.03431	2.1
69.07068	5.2
69.18336	0.9
69.44415	7.6
69.53405	0.8
70.85445	0.7
70.98106	1.0
71.04991	1.1
71.08648	1.0
73.99078	0.7
74.27829	0.8
79.05492	11.8
81.03418	1.4
81.07061	8.2
83.04944	1.6
83.08633	1.3
85.02871	1.6
90.70706	0.8
91.05481	100.0
92.05821	1.1
93.07039	9.9
95.04960	5.0
95.08616	10.4
95.58704	1.0
97.02922	1.2
97.06540	4.6
98.97589	3.9
103.05492	2.1
105.03393	2.4
105.07034	16.7
107.04977	4.2
107.08585	5.3
109.02871	1.5
109.06512	2.6
109.10182	1.9
111.08092	1.3
115.05445	4.2
116.06234	3.9
116.98608	2.7
117.07015	37.3
119.04939	19.7
119.08562	7.9
121.06535	4.1
121.10167	2.2
123.04429	2.0
123.08079	2.1
128.06216	3.7
129.06998	12.5
131.04939	2.5
131.08569	37.6
132.08876	1.4
133.02856	2.0
133.06502	5.5
133.10132	12.7
135.04443	4.3
135.08012	4.2
135.11737	1.8
141.07005	6.9
142.07761	2.9
143.08575	4.2
144.05664	2.5
145.06442	7.2
145.10124	9.0
147.04427	2.5
147.08046	2.8
147.11679	3.4
149.02307	1.1
149.06046	1.5
149.09630	1.6
149.13264	1.0
151.03879	1.1
153.05486	1.4
153.06990	1.7
155.08551	5.6
157.06581	1.5
157.10135	3.8
158.99643	1.2
159.08051	18.3
159.09277	1.3
159.11690	2.4
161.05983	1.6
161.09618	5.0
162.06670	0.9
163.03867	2.1
163.11069	1.0
165.05482	1.9
165.06927	1.2
168.09314	3.3
171.11728	1.0
172.08835	1.1
173.09613	2.6
173.13257	9.1
174.13533	1.0
175.07510	1.0
175.11177	2.0
177.00606	1.6
177.01939	1.4
177.09160	3.0
179.03354	6.0
183.11697	4.0
186.06514	0.9
187.07603	4.0
187.11179	3.0
189.01845	11.1
189.03432	1.4
191.03342	2.1
191.14302	1.6
192.04178	1.6
201.09320	1.3
201.12753	33.5
203.03334	2.6
205.08626	5.6
211.11157	1.5
219.13777	9.7
224.07043	1.6
229.12250	17.6
230.12599	1.0
231.06528	7.2
231.10178	1.5
233.07567	1.5
247.09720	2.8
247.13309	15.4
254.05713	1.0
254.08086	4.1
254.58118	1.1
257.11694	2.8
257.19003	1.2
275.09161	15.7
275.12790	46.7
275.20004	10.2
276.12933	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.55220	1.5
52.23052	1.5
53.03930	6.2
55.01870	19.9
55.05276	2.0
55.05511	25.1
57.03439	2.3
57.07067	5.3
65.03947	1.7
67.05510	29.1
69.03432	3.2
69.07068	15.7
69.48265	7.7
69.48676	3.3
71.04962	2.2
71.08624	3.0
79.05495	34.1
81.03427	15.2
81.06605	2.6
81.07056	36.1
83.04983	7.6
83.08621	9.6
85.06535	3.1
91.05486	38.7
93.06504	2.2
93.07043	31.2
95.04970	23.3
95.08615	21.2
97.06516	6.9
97.10162	6.3
99.08110	3.4
103.05479	2.3
105.07033	34.0
107.04952	20.3
107.08598	17.6
109.06515	15.0
109.10158	10.6
111.08070	2.6
117.06236	2.0
117.07021	16.5
119.08585	27.9
121.06506	15.6
121.10165	8.5
123.04407	3.1
123.08056	13.3
123.11649	2.1
125.09635	22.4
129.06999	4.0
131.04732	1.5
131.08553	21.2
133.06479	4.1
133.10141	18.0
135.08058	17.7
135.11713	5.3
137.09621	14.6
139.11153	1.7
143.08568	4.2
145.06493	3.0
145.10109	14.3
147.08023	4.1
147.11694	7.8
149.09628	7.6
149.13264	3.4
149.76225	1.7
151.11195	8.7
155.08560	3.1
156.38881	1.6
157.10129	3.6
159.08089	3.1
159.11687	9.9
161.09636	4.7
161.13235	3.9
163.07504	1.6
163.11159	11.2
165.09081	3.3
165.12794	3.5
169.10124	5.4
171.11690	2.8
173.09650	5.3
173.13258	9.4
175.11208	3.8
175.14818	2.0
177.09145	2.5
177.12732	13.1
179.14246	1.6
183.11700	6.7
187.11237	6.8
187.14807	2.1
189.12837	2.0
191.10744	2.0
191.14326	11.5
193.15611	1.5
197.13229	2.2
201.12744	5.5
205.12152	1.9
215.14252	3.2
215.17941	3.3
216.77383	1.4
219.13786	1.6
229.19481	10.4
231.17374	2.1
239.17990	7.7
247.20656	7.0
256.58881	1.5
257.18997	30.7
275.20071	100.0
276.20425	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.43980	0.7
53.03941	1.4
55.01872	5.1
55.05515	14.4
56.96568	0.9
57.03429	1.0
57.07065	1.9
63.89256	0.6
65.03927	1.8
67.05509	18.6
67.96722	0.8
68.97305	0.8
69.03404	1.2
69.07069	12.1
69.39564	6.3
71.04985	2.5
71.40634	0.7
79.05499	20.8
81.03404	1.2
81.07059	19.6
83.04979	2.4
83.08624	4.3
90.32020	0.7
91.05484	35.5
93.06505	1.3
93.07051	20.9
95.04987	4.7
95.08614	15.1
95.91341	0.6
97.06534	8.7
97.10158	2.2
98.97602	0.7
103.05460	1.6
105.03418	1.0
105.04536	0.8
105.07037	49.7
107.04967	4.1
107.08598	14.5
109.06535	3.6
109.10156	5.2
113.06020	0.8
115.05425	1.2
117.06256	1.0
117.07028	10.6
118.07854	0.8
119.08585	30.4
121.06494	3.7
121.10142	8.2
123.04408	0.8
123.08047	2.4
123.11718	1.3
125.09686	0.7
126.80193	0.6
129.06985	3.3
130.07764	0.7
131.08577	15.4
133.02843	2.7
133.06470	1.8
133.10136	31.6
135.08052	4.2
135.11690	4.8
137.09558	1.4
140.98448	0.8
141.07011	0.9
143.08559	1.6
145.10139	13.2
147.08061	1.4
147.11688	19.0
149.02332	2.3
149.09628	6.3
149.13274	1.3
151.11122	1.8
153.09135	0.8
155.08563	1.3
157.10138	2.2
159.11719	11.1
161.02365	1.0
161.09613	2.2
161.13280	4.8
163.11180	6.1
163.14871	0.9
165.09125	1.4
169.10136	1.7
171.11702	2.2
173.13280	5.0
175.03911	1.6
175.11124	1.3
175.14906	1.0
177.01863	2.6
177.12733	1.0
179.03357	9.6
183.11646	2.2
185.13203	1.2
187.11336	1.0
188.59457	0.7
189.01840	17.4
189.12706	1.1
191.14381	0.7
193.12152	0.7
197.13260	1.7
201.05441	0.9
207.13800	0.9
211.14810	0.8
215.14455	1.5
215.17944	1.5
219.13797	1.0
229.15939	1.0
229.19533	2.3
231.06522	13.4
233.19073	0.8
239.17914	2.6
247.20622	3.3
257.19037	9.0
275.09119	11.9
275.20074	100.0
276.20367	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	275.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.6
53.03938	1.3
55.01867	1.5
55.05244	0.9
55.05511	11.0
55.57821	0.6
57.03424	2.7
57.07105	0.8
63.20516	0.5
65.03909	0.9
67.05503	10.5
69.07069	7.2
69.77057	3.0
71.04978	2.4
72.11294	0.6
79.05492	11.5
81.03425	0.9
81.07052	9.6
83.04953	1.4
83.08632	5.0
85.06527	1.8
87.71398	0.7
91.05476	31.1
93.06499	0.9
93.07040	9.9
95.04945	1.9
95.08608	8.0
97.06520	2.3
97.10162	1.2
98.21433	0.9
103.05477	1.3
105.07030	47.1
106.07386	0.8
107.04926	1.0
107.08590	9.1
109.06493	2.6
109.10159	3.5
111.08099	0.8
117.07003	7.9
119.07711	1.4
119.08576	27.3
121.06528	1.1
121.10148	4.0
123.11672	1.1
125.09628	1.1
129.06982	2.1
131.08568	11.2
133.02815	1.0
133.10133	28.2
135.08009	1.0
135.11673	2.2
143.08521	1.8
145.10123	13.1
146.10838	0.8
147.08099	0.6
147.11681	28.2
149.09605	2.8
149.13264	0.8
155.08502	1.1
157.10152	3.0
159.11705	11.5
161.09608	0.8
161.13261	7.0
163.11156	1.5
169.10065	1.3
171.11694	2.3
173.13228	3.4
175.11223	0.8
175.14738	1.2
177.01880	1.0
177.12747	0.9
179.03394	3.2
183.11710	2.4
185.13260	5.5
187.11203	0.8
189.01794	8.4
197.13255	1.8
201.12721	0.7
201.16296	0.8
201.98466	0.6
203.14398	4.8
211.14867	1.0
215.17981	0.9
231.06552	6.6
239.18015	3.3
257.19012	8.5
275.09164	5.4
275.20056	100.0
276.20334	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.12206	0.7
53.03928	0.6
55.01864	1.5
55.05513	11.7
57.03423	1.9
65.03938	1.0
67.05504	11.1
69.07072	8.5
69.25849	2.1
69.26273	3.6
71.04988	1.4
73.06541	0.9
79.05495	12.2
81.03356	0.6
81.06609	0.9
81.07060	13.9
83.04967	1.0
83.08631	5.9
83.98784	0.6
85.06529	1.4
91.05482	29.4
92.05833	0.7
93.07046	10.6
95.04958	1.7
95.08611	10.2
97.06522	2.9
97.10159	2.2
103.05447	1.0
105.07036	50.9
107.04935	0.8
107.08597	10.4
109.06522	1.3
109.10183	3.1
111.08081	1.1
117.07021	8.2
119.08584	30.2
120.08896	1.3
121.02866	0.8
121.06525	0.9
121.10153	4.7
123.08051	1.1
123.11708	0.9
125.09625	1.2
129.06995	2.6
131.08580	10.8
133.02895	1.0
133.10136	29.4
135.08060	1.0
135.11693	2.5
137.09584	0.8
139.11263	0.7
143.08549	2.1
145.10132	13.0
147.11694	30.0
149.02419	1.2
149.09671	3.5
149.13309	0.8
155.08481	0.9
157.10172	3.3
159.10504	1.0
159.11696	11.9
161.09673	1.5
161.13254	6.3
163.11209	0.7
169.10085	1.2
171.11720	2.1
173.13243	3.2
175.03931	0.7
175.11218	0.8
175.14793	1.2
176.10440	0.6
177.01862	1.4
179.03432	4.4
183.11719	1.8
185.13261	4.5
189.01834	14.0
193.12332	0.8
197.13203	1.9
201.16367	0.8
203.14311	3.4
215.18066	0.7
219.17648	0.7
219.54684	0.7
229.19496	1.5
231.06519	8.1
239.17906	3.9
257.19031	10.2
275.09186	8.5
275.20068	100.0
276.20444	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03925	1.6
55.01860	2.9
55.05511	12.0
57.03417	2.3
57.07042	1.1
58.26700	0.7
59.55432	0.8
65.03926	1.9
67.05505	15.0
69.03448	0.9
69.06732	1.0
69.07068	10.7
69.72969	2.7
69.73378	1.7
71.05001	1.8
77.42171	0.8
79.05492	17.0
81.03415	0.7
81.06618	1.1
81.07060	16.1
83.04967	1.8
83.08604	4.2
85.06538	1.6
91.05475	35.3
92.05772	0.9
93.07045	15.9
95.04974	4.4
95.08605	10.8
97.06519	4.8
97.10145	2.0
103.05405	1.3
105.03407	0.9
105.07026	49.7
107.04915	3.1
107.08598	12.1
109.06493	2.7
109.10163	5.1
111.08068	1.3
117.07008	8.7
119.04984	0.8
119.08576	30.1
120.08926	0.9
120.57897	0.7
121.06474	2.5
121.10141	6.7
123.08057	1.5
123.11649	0.8
125.09620	1.4
128.06204	0.8
129.06969	2.8
131.08568	11.5
133.02893	1.9
133.06465	1.0
133.10120	29.6
135.08054	3.3
135.11702	4.3
137.09624	1.1
138.76599	0.7
141.07005	1.4
143.08553	3.0
145.10106	12.6
147.08022	1.3
147.11694	21.0
149.02289	1.0
149.09570	3.7
149.13243	2.1
151.11250	1.1
155.08614	1.0
157.10124	3.3
159.11702	9.4
161.09575	0.9
161.13260	6.5
163.11172	2.6
169.10135	0.9
171.11684	2.1
173.13287	4.8
175.03891	2.1
175.11127	1.2
177.01802	1.9
177.12834	1.2
179.03400	7.2
183.11681	2.2
185.13303	1.8
187.11201	1.5
189.01823	20.3
190.02072	1.0
196.60362	0.8
197.13205	1.8
198.43582	0.7
201.12724	0.8
211.14789	1.2
213.16428	1.1
215.17964	1.0
229.16083	0.8
229.19510	2.1
231.06528	13.0
232.06833	1.0
233.15352	1.5
233.19135	0.9
239.07014	0.9
239.17929	3.1
247.20612	2.3
257.18988	7.9
275.09158	10.1
275.20053	100.0
276.09521	0.9
276.20364	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	275.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40700	0.5
53.03934	1.2
55.01871	2.3
55.05513	11.3
56.96584	0.6
57.03422	2.1
57.07064	1.8
65.03941	1.2
67.05504	16.2
67.31918	0.4
69.03434	1.0
69.07066	9.0
70.06588	2.6
70.39332	0.9
70.39706	1.5
71.04977	2.0
71.06909	1.2
71.08608	0.6
72.08965	0.4
77.03924	0.4
78.35522	0.6
79.05492	17.4
81.03401	1.6
81.07058	18.2
83.04987	2.6
83.08607	4.1
85.06547	2.0
88.07639	2.9
89.07943	0.5
91.05479	29.7
93.07044	18.5
95.04418	0.7
95.04956	3.6
95.08610	11.1
97.02840	0.5
97.06528	2.6
97.10149	1.8
102.09186	0.5
103.05477	1.1
105.07032	45.5
106.07386	0.8
106.08646	1.1
107.04961	7.4
107.08584	11.9
108.04536	0.4
109.06530	2.5
109.10152	3.6
111.08067	0.5
113.06007	0.5
115.05439	1.5
117.07018	9.2
119.08586	28.3
121.06461	2.6
121.10136	6.9
123.08065	1.4
123.11692	1.3
125.09595	0.5
127.07546	0.5
129.06987	1.9
129.09113	0.5
130.07730	0.5
131.08574	12.0
133.10132	25.3
135.08055	7.4
135.11681	2.5
135.15598	0.5
137.09598	1.1
139.11183	1.0
143.08571	2.1
144.09286	0.6
145.10120	11.1
146.10751	0.6
147.08018	1.0
147.11688	17.2
149.09669	4.7
149.13251	0.7
151.11189	0.6
155.08521	0.7
157.10089	2.5
159.11700	6.4
161.09602	1.2
161.13260	3.5
163.11197	2.0
169.10123	0.8
171.11662	2.2
173.13251	3.2
173.14513	0.5
175.11150	0.9
175.14796	0.7
177.12798	1.0
183.11685	1.8
183.13766	0.7
187.13252	0.9
187.14825	1.0
191.14323	0.6
197.13242	1.6
201.12846	0.7
203.14267	0.7
209.15303	0.5
213.16536	0.8
219.13867	1.3
219.17508	0.9
229.19482	1.9
233.18898	1.0
239.17973	3.1
247.20517	1.7
257.19025	8.7
257.26700	1.7
275.20062	100.0
275.27759	25.2
276.20474	2.8
284.61227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03946	1.0
55.01870	3.4
55.05510	11.9
57.03429	2.6
57.07067	2.2
65.03920	1.4
67.05504	15.7
69.03409	1.3
69.07067	10.8
69.83935	3.3
70.06583	1.3
71.04982	1.8
71.06913	1.1
71.08624	0.6
78.66170	0.5
79.05490	21.2
81.03426	0.8
81.07053	20.4
83.05006	2.9
83.08601	4.3
85.06547	1.8
88.07626	2.4
91.05480	35.2
93.07046	18.9
93.07647	0.7
95.04971	4.6
95.08609	13.1
96.49389	0.6
96.57391	0.6
97.06515	2.7
97.10157	1.6
98.64803	0.6
103.05438	1.5
105.07028	48.7
106.07374	0.8
106.08675	1.5
107.04961	9.0
107.08582	12.1
109.06516	2.4
109.10157	4.7
113.06007	0.6
115.05412	0.7
117.07022	9.1
119.08580	31.3
121.06503	2.9
121.10139	6.5
121.57756	0.6
123.08076	1.6
123.11708	1.1
125.09633	1.0
129.06996	2.4
130.07864	0.8
131.08563	14.1
132.09399	1.0
133.06496	0.9
133.10126	29.7
135.08049	8.8
135.11713	1.7
137.09631	1.3
141.07001	0.9
143.08527	1.8
145.10135	11.7
147.08093	1.0
147.11678	17.6
148.08804	0.6
149.09604	6.6
149.13298	0.7
151.11197	1.1
155.08495	0.9
157.10110	2.2
159.11694	8.7
161.09639	1.2
161.13268	3.1
163.11200	2.3
169.10040	1.3
171.11717	2.2
173.13246	3.3
175.11186	0.9
175.14665	0.7
177.12752	1.4
181.12230	0.8
183.11720	2.1
185.13257	1.5
187.11322	0.8
187.13235	1.0
187.14792	0.8
189.12636	0.7
197.13281	2.3
201.12814	1.0
202.22310	0.7
203.14236	0.9
205.90988	0.6
215.17934	1.1
219.13849	1.1
229.19539	2.3
233.15390	0.8
236.80121	0.6
239.18036	3.3
247.20627	2.3
257.19006	8.3
257.26657	0.7
275.20059	100.0
275.27740	21.1
276.20447	1.9
298.86536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	2.0
55.01865	2.6
55.05510	13.6
57.03425	1.3
57.07069	0.8
59.04959	0.6
65.03946	0.9
67.05505	14.3
69.07069	9.9
69.90182	1.8
69.90596	1.9
71.04984	1.8
77.03846	0.7
79.05494	17.5
81.06609	1.3
81.07059	18.7
83.04982	2.3
83.08622	5.7
85.06527	1.2
91.05479	34.7
93.07040	15.3
93.07506	0.4
95.04971	4.0
95.08607	10.2
97.06526	2.5
97.10151	2.0
98.43366	0.6
99.08077	0.7
100.20381	0.6
103.05442	2.0
105.07028	56.7
106.07372	1.1
107.04948	3.4
107.08587	15.1
109.06519	2.3
109.10158	4.3
111.08118	1.0
115.05481	0.9
117.07018	9.6
119.08583	32.0
120.08955	0.7
121.06500	2.4
121.10143	6.6
123.08041	1.9
123.11724	1.0
125.09658	1.0
129.06981	1.9
130.07764	0.8
131.08569	12.8
133.06506	0.7
133.10130	35.8
135.08092	3.3
135.11708	3.5
137.09576	0.8
139.11131	0.8
141.07001	0.8
143.08571	2.3
145.06429	0.6
145.10110	14.5
146.10867	0.8
147.08026	0.7
147.11687	24.7
148.11934	0.7
149.09618	6.0
151.11154	1.7
155.08539	1.9
157.10120	2.4
159.08041	0.7
159.11688	6.9
160.12482	0.8
161.09622	1.5
161.13252	4.8
163.11218	3.1
165.09137	0.7
169.10133	1.6
171.11703	2.4
173.11937	0.6
173.13222	3.4
175.11195	1.7
177.12738	1.5
181.12291	0.8
183.11710	1.7
185.13162	0.8
187.11143	1.6
187.14775	0.8
191.14507	0.7
197.13245	2.2
211.14854	1.3
213.16354	0.8
215.14252	0.8
215.17946	1.3
229.19446	1.4
239.17943	2.9
247.20609	1.8
257.19009	9.2
258.19504	0.8
275.20059	100.0
275.27698	3.0
276.20383	4.8
296.48059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01858	3.2
55.05512	14.9
56.96541	0.8
57.03425	1.1
57.07058	0.9
57.16003	0.7
62.92646	0.7
65.03938	1.7
67.05505	15.3
69.07066	10.1
70.46958	2.5
71.04967	2.1
73.09546	0.7
77.03907	0.7
79.05488	16.9
81.06604	1.2
81.07059	18.5
83.04974	2.1
83.08640	4.2
83.52138	0.7
85.06549	1.3
87.80019	0.7
91.05480	37.6
93.07040	20.6
95.04954	3.1
95.08604	11.5
97.06505	2.7
97.10159	3.1
99.08060	1.2
103.05473	1.7
105.07027	64.2
106.07354	1.1
107.04944	3.1
107.08582	15.9
109.06483	2.6
109.10150	4.8
111.08061	1.4
111.99973	1.3
113.55452	0.7
117.07018	9.2
119.08582	32.2
121.00485	4.9
121.06509	2.5
121.10131	6.4
123.08055	1.6
125.09608	2.1
129.07001	1.8
130.01021	1.1
130.07771	1.2
131.08562	15.8
133.06473	1.4
133.10123	37.9
135.08022	2.7
135.11661	3.3
137.09540	0.9
141.06915	0.8
143.01752	2.1
143.08531	1.9
145.10115	17.4
147.08084	1.4
147.11687	27.9
149.09642	5.0
151.11194	0.8
155.08498	1.7
157.10110	3.1
159.11673	9.2
161.09599	1.4
161.13272	5.9
163.11139	3.9
167.99651	1.0
169.10104	2.0
171.11707	2.8
172.01009	1.4
173.13246	3.8
175.11212	1.1
175.14775	1.0
177.00233	2.2
180.41194	0.8
183.11668	1.8
185.13310	0.9
187.11229	1.8
187.13342	0.8
197.13234	2.0
201.12665	0.9
208.01952	1.0
217.02509	4.7
229.19562	3.0
233.15384	1.6
239.17967	3.3
247.20523	1.7
252.04761	2.1
257.19009	10.7
261.05142	3.0
275.20050	100.0
275.27774	2.6
276.20337	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03944	1.6
55.01861	3.1
55.05515	13.8
56.96559	1.0
57.03428	2.7
57.07076	0.8
59.61715	0.7
62.40146	0.7
65.03925	1.6
67.05507	24.0
69.03423	1.6
69.07071	12.8
69.75675	2.2
69.76089	2.3
71.04980	2.4
79.05500	22.5
81.03426	1.4
81.07057	23.0
83.04973	2.4
83.08600	3.8
85.06528	1.3
91.05481	39.0
93.07046	23.1
95.04964	5.4
95.08611	16.1
97.06548	3.6
97.10155	3.0
98.20755	0.8
98.97585	0.6
103.05439	1.4
105.07030	46.0
106.66451	0.8
107.04956	8.1
107.08588	15.5
108.17790	0.7
109.06526	2.7
109.10159	7.5
113.06014	0.8
113.74880	0.7
114.17094	0.7
115.05463	1.5
117.07005	12.0
119.08579	31.8
121.06490	4.1
121.10157	10.2
123.08089	3.4
123.11755	1.0
125.09667	1.0
128.06293	0.9
129.07001	2.2
130.07770	0.8
131.08560	13.0
133.10130	30.1
135.08057	7.3
135.11688	2.9
136.76605	0.7
137.09630	3.5
143.08589	2.7
145.10135	10.0
147.08032	1.7
147.11694	15.0
149.09599	6.9
149.13232	0.8
151.11130	1.2
155.08539	1.8
157.10149	3.6
159.11693	6.3
161.09616	1.1
161.13239	4.6
163.11205	3.0
169.29430	0.7
171.11662	2.1
173.13269	3.7
175.11191	2.0
175.14784	0.9
177.12753	2.1
183.11732	2.6
185.13199	1.3
187.11168	1.4
187.14894	1.3
189.12691	0.9
191.14183	1.1
197.13284	1.7
201.12837	1.2
201.16428	0.9
214.10968	0.7
229.19450	2.0
233.15363	0.9
239.17960	2.6
247.16975	0.8
247.20618	3.1
257.19016	8.1
275.20068	100.0
275.27759	2.9
276.20444	2.8
295.99567	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	3.0
55.01870	4.4
55.05513	22.9
55.41077	1.1
57.03432	4.5
57.07065	2.8
65.03938	1.7
66.91495	1.1
67.05506	31.5
69.03411	2.1
69.07068	35.3
70.06595	5.7
71.04981	2.2
73.06548	2.1
75.61523	1.0
79.05495	35.0
81.03415	1.6
81.07059	31.5
83.04974	5.0
83.08627	7.1
85.06535	1.9
91.05479	48.3
91.55146	1.1
93.07044	37.0
95.04966	8.1
95.08606	22.8
97.06537	7.2
97.10138	3.3
103.05444	2.2
105.07032	63.2
107.04959	9.4
107.08594	29.8
109.05845	1.4
109.06525	14.8
109.10150	7.6
111.08100	1.4
117.07016	16.3
119.08581	36.6
121.06505	11.7
121.10140	16.0
123.08077	6.2
123.11731	2.5
129.06992	6.5
130.07762	1.7
131.08566	26.2
133.06517	2.6
133.10135	34.6
135.08060	7.5
135.11708	6.8
137.09601	2.8
141.07027	1.5
143.08556	4.6
144.09294	1.2
145.06447	1.7
145.10118	24.2
147.08023	3.2
147.11690	26.4
149.09636	4.9
149.13277	3.7
151.11296	1.4
155.08534	4.3
157.10130	5.7
159.08034	3.2
159.11690	21.7
161.09621	4.1
161.13214	7.1
163.11154	7.0
165.12843	1.4
169.10139	2.8
171.11627	3.0
171.62851	1.5
173.09631	4.4
173.13264	9.0
175.11237	3.1
175.14842	2.4
177.12756	4.3
179.10631	2.6
183.11716	4.3
185.13246	1.5
187.11153	3.0
187.14778	2.2
188.11887	1.3
189.12720	1.8
191.14333	3.3
197.13199	2.5
201.12755	2.4
205.12381	1.3
205.15744	1.2
207.13739	1.6
213.16338	1.7
215.14276	1.8
215.17905	2.6
219.13666	1.6
229.19479	10.8
239.18036	7.3
247.20549	7.7
257.19000	51.5
258.19421	1.6
275.20056	100.0
276.20334	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.4
55.01855	2.8
55.05246	0.6
55.05509	9.7
57.03419	2.1
57.07066	1.6
59.04964	0.8
63.12156	0.5
65.03926	1.5
67.04197	0.5
67.05505	16.5
69.03421	1.4
69.07069	9.1
71.04971	2.0
71.08619	2.1
79.05492	17.8
81.03397	2.2
81.07054	21.4
81.07541	1.1
83.04970	1.9
83.08606	3.5
85.06544	1.6
91.05479	27.5
92.04838	0.6
93.07040	21.0
95.04961	6.2
95.08601	12.4
97.06518	2.7
97.10145	1.7
99.08081	1.7
103.05443	1.1
105.07030	35.5
107.04953	16.6
107.08580	11.8
109.06528	3.8
109.10147	4.5
111.08060	1.3
115.05454	0.9
117.07014	6.6
119.08586	24.1
120.08907	1.1
121.06512	10.3
121.10147	5.8
123.08040	3.3
123.11671	1.7
125.09602	1.0
129.07013	1.7
131.08566	13.1
131.48051	0.7
132.21751	0.6
133.06477	1.3
133.10124	19.0
133.11121	1.2
135.08049	8.7
135.11690	2.5
137.09602	1.9
143.08539	2.3
145.06448	1.0
145.10117	8.5
147.08015	2.4
147.11684	10.3
149.09601	4.0
149.13242	1.7
151.11148	1.2
155.08560	1.0
157.10110	2.2
159.08055	1.3
159.11674	5.4
161.09598	1.7
161.13199	3.3
163.11180	3.6
165.12758	1.2
169.10126	1.6
171.11679	1.9
173.09576	0.9
173.13234	3.4
175.11232	1.2
176.20552	0.7
177.12727	6.3
183.11691	1.7
185.13199	0.9
187.11264	1.9
187.13248	1.0
187.14815	1.1
189.12762	1.3
191.14227	1.0
197.13312	1.4
201.12741	1.6
201.16521	0.8
215.14412	1.7
219.13765	1.4
229.19516	2.3
239.17969	2.2
247.20699	2.3
257.19003	9.5
260.12888	0.7
275.20053	100.0
275.27805	2.1
276.15933	4.2
276.20389	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.00314	1.1
53.03941	1.3
55.01877	6.5
55.05250	1.6
55.05511	26.4
57.03432	2.9
57.20303	0.8
59.04977	1.2
65.03923	1.3
67.05143	1.5
67.05504	30.8
69.07065	10.7
69.39077	9.0
71.04981	2.6
79.05495	44.3
81.07058	22.9
83.04953	3.2
83.08617	6.9
85.06548	1.4
88.54125	1.0
91.05475	33.1
92.23264	1.0
93.07046	27.1
95.04957	5.3
95.08605	10.4
97.06512	1.8
97.10164	4.5
103.05473	2.0
105.07027	46.4
107.04949	25.8
107.08595	28.4
109.02885	1.0
109.06494	1.8
109.10157	13.8
109.15842	1.0
111.08060	2.3
115.05432	1.7
117.07028	12.4
119.08583	36.6
121.06498	2.5
121.10133	10.6
123.08068	1.5
123.11694	5.0
125.09640	5.5
129.07025	1.5
130.07788	1.6
131.08551	14.2
133.10127	31.3
135.08087	6.0
135.11682	4.2
137.09656	2.2
141.06941	1.4
143.08572	2.0
145.10127	13.1
147.07965	1.2
147.11688	22.3
149.09615	51.2
151.11252	1.1
153.09018	2.3
155.08539	2.1
155.10661	1.2
155.43535	1.0
157.10121	3.7
159.11656	9.5
161.09622	1.1
161.13220	6.6
163.11188	3.7
167.10777	1.3
169.10155	2.6
169.12244	3.0
171.11684	2.6
173.11734	4.8
173.13245	6.0
175.11111	1.6
177.12744	1.8
179.10689	1.4
183.11670	2.7
185.13159	1.3
187.11255	2.6
187.13260	1.5
197.13287	2.1
205.12172	1.3
211.14716	1.2
215.14404	1.8
215.17938	2.9
229.19469	7.4
233.15417	1.8
239.17964	3.3
247.20569	3.0
257.19049	17.1
275.20062	100.0
276.20569	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03943	2.0
53.50417	0.7
55.01860	2.9
55.05514	14.4
57.03414	1.0
57.07036	0.7
65.03931	1.4
67.05506	21.6
67.95470	0.7
69.03441	1.2
69.07063	9.9
70.76027	2.3
71.04998	1.0
73.06540	0.8
79.05495	24.4
81.03407	0.7
81.07056	21.7
83.04973	2.9
83.08622	7.1
85.02897	0.7
85.06544	1.5
90.72538	0.7
91.05478	37.7
93.07040	25.2
95.04981	3.7
95.08607	15.0
97.06533	6.1
97.10162	2.7
103.05464	1.2
105.07030	47.6
107.04941	2.9
107.07893	1.2
107.08587	19.5
109.06520	4.4
109.10161	6.6
111.08047	2.6
115.05392	0.8
117.07027	10.8
119.08578	33.7
121.06505	4.2
121.10143	12.0
123.08075	3.1
123.11709	1.4
125.09616	2.4
128.06267	1.2
129.06993	2.9
130.07722	1.0
131.08562	17.5
133.06477	2.6
133.10126	33.6
134.07358	1.1
135.08038	5.2
135.11687	4.5
137.09602	5.3
139.11183	0.8
141.07050	1.5
142.07841	0.9
143.08531	2.6
145.10118	20.5
147.08022	2.5
147.11687	14.8
149.09624	15.2
149.13248	1.8
151.11174	6.0
155.08545	2.2
157.10092	4.1
159.11696	10.1
161.09583	2.6
161.13234	6.9
163.11185	8.3
165.12749	2.5
169.10104	4.0
171.11661	4.8
173.09628	1.1
173.13219	4.6
175.11185	3.2
175.14795	1.7
177.12759	3.6
179.14212	1.0
183.11700	2.2
185.13272	1.5
187.11116	1.9
189.12729	2.1
191.14302	1.7
193.12161	0.8
197.13219	4.0
201.12814	1.5
211.14833	1.5
213.16396	2.0
215.14246	1.5
215.17987	2.7
229.19539	4.1
239.17941	15.6
247.20631	2.0
257.19009	17.7
269.70663	0.7
275.20062	100.0
276.20386	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03943	2.3
55.01861	3.5
55.05516	14.8
57.03430	1.6
57.07063	1.4
61.30867	0.8
63.50348	0.8
65.03918	1.4
67.05511	18.1
69.03390	0.9
69.07072	9.2
69.57729	0.8
71.04983	2.3
71.20326	1.9
79.05499	22.1
79.71790	0.9
81.03416	0.8
81.06603	1.3
81.07063	21.3
82.93585	0.9
83.04991	2.8
83.08629	5.7
85.06516	1.1
91.05484	38.1
93.07048	20.7
95.04964	4.5
95.08613	13.9
97.06534	5.5
97.10162	1.6
99.08053	0.9
103.05471	1.8
105.07036	52.8
106.07312	0.9
107.04951	4.9
107.08598	16.4
109.06520	4.7
109.10145	5.5
111.08098	1.7
117.07018	9.4
119.08586	33.6
121.06467	4.2
121.10144	9.8
121.38530	1.0
123.08060	3.2
123.11673	1.9
125.09623	2.5
128.06117	0.8
129.06989	2.8
131.08580	13.1
133.06512	1.2
133.09135	1.9
133.10139	35.3
135.08060	3.6
135.11693	3.5
137.09581	2.8
141.06984	1.7
143.08507	2.2
145.10133	10.6
147.08026	2.2
147.11679	19.4
149.09605	6.2
151.11162	2.9
155.08560	1.8
157.10150	3.0
159.07964	1.0
159.11705	7.4
161.09683	1.7
161.13245	6.1
163.11197	5.8
165.12770	2.6
167.10664	1.0
169.10147	3.1
171.11684	2.0
173.13264	5.4
175.11221	1.9
175.14790	1.4
177.12741	2.6
179.03430	1.7
182.45103	0.8
183.11613	2.9
185.13260	1.2
187.11227	1.0
187.14687	1.1
189.01831	2.4
189.12711	1.2
191.14359	2.0
197.13266	2.6
201.12776	1.9
211.14789	1.2
215.14255	1.3
215.18022	1.4
225.86913	1.0
229.19516	3.7
231.06514	1.3
239.18013	5.8
247.20546	3.3
257.19019	12.3
275.09094	2.6
275.20068	100.0
276.20471	3.2
289.69260	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	277.008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67117	2.3
56.96546	9.5
59.98100	2.1
64.72525	2.4
70.54475	4.9
70.54835	5.3
94.76131	2.5
98.97581	84.7
100.97166	2.6
103.86699	2.4
108.03125	2.5
116.98621	72.7
118.98215	2.4
119.01896	2.8
134.38750	2.3
134.98677	3.2
134.99649	39.9
153.00677	4.6
177.00883	4.3
219.02008	9.2
221.01770	2.6
234.99582	2.6
235.16878	8.3
236.77650	2.2
240.98724	5.4
258.99756	44.0
276.97928	4.7
277.00763	100.0
277.17859	3.9
278.00992	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	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02508	4.4
56.96566	60.2
61.02939	8.0
69.03438	14.1
70.06651	5.1
70.93759	13.6
73.02931	6.0
74.97620	6.2
80.05028	9.5
81.03407	6.3
84.08190	7.3
84.96038	13.1
85.02914	26.5
86.09694	8.1
87.07101	4.8
97.02899	23.3
98.06091	5.8
98.97592	100.0
110.97593	16.0
112.99191	8.9
116.07117	11.7
116.16294	5.3
116.98627	63.5
119.01925	37.2
127.03978	5.6
128.98616	30.8
131.00174	14.2
131.01930	15.2
133.01724	6.8
134.99680	20.2
137.02980	9.6
143.00223	7.1
143.01880	9.4
145.03479	5.8
146.99617	29.9
149.01221	13.3
149.02914	5.2
154.08682	13.9
155.01988	6.9
157.04448	6.5
158.99719	18.3
161.01286	10.8
161.02971	47.8
162.99106	6.0
165.00699	9.8
170.99646	13.0
173.01080	5.1
173.02975	14.0
175.02931	7.1
175.04456	8.0
177.00763	26.8
185.02960	8.5
188.07852	6.2
188.54935	6.0
189.00764	12.8
195.01773	6.5
203.04115	9.6
205.05614	6.9
219.01776	29.1
237.02818	82.1
245.05238	6.9
255.03912	11.6
277.03177	18.6
277.07382	44.3
277.11737	7.8
295.06970	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	277.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92485	0.3
69.81010	2.0
82.75359	0.3
98.21463	0.4
119.01959	0.5
121.01683	0.5
133.03464	0.3
150.96060	0.3
151.04411	0.4
175.02728	0.3
189.04237	0.5
195.29544	0.4
210.03761	0.3
235.17049	0.3
277.08932	100.0
278.09293	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	277.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01856	1.0
55.05511	15.5
56.96555	1.0
57.03425	0.4
57.07072	2.8
62.32207	0.2
65.03938	1.1
67.05500	4.1
69.03416	0.9
69.07061	3.3
70.22437	0.7
71.04987	0.8
71.08613	0.4
79.05084	0.4
79.05495	4.9
81.03407	0.8
81.07051	5.4
83.04980	1.0
83.08604	1.4
85.06551	0.7
86.89446	0.3
91.05470	3.0
93.03423	0.3
93.07041	6.3
95.04973	2.4
95.08601	3.9
97.06519	3.6
97.10190	0.4
98.97565	0.3
99.08060	0.7
105.07014	2.9
107.04945	0.9
107.08598	3.9
109.02878	0.3
109.06509	1.6
109.10151	2.5
111.04458	0.3
111.08080	0.9
113.09644	0.8
115.38670	0.3
117.07040	0.5
119.08581	2.2
121.02865	4.8
121.03796	0.5
121.06452	0.4
121.10124	3.5
123.04414	0.4
123.08076	0.8
123.11700	1.1
125.09649	0.4
129.06966	0.2
131.08575	1.0
133.06448	0.4
133.10123	2.2
135.04437	0.6
135.08055	0.7
135.11676	2.7
137.09618	1.1
137.13310	0.4
139.11186	0.8
141.07033	0.3
143.08569	0.5
145.02821	0.3
145.10094	1.4
147.04440	0.4
147.08046	0.3
147.11681	1.6
149.02336	100.0
149.09630	0.8
149.13229	1.2
150.02687	1.2
151.11145	1.6
157.10107	0.4
159.04417	0.3
159.11716	0.8
161.13278	1.1
163.03922	1.8
163.11169	0.6
163.14842	0.4
165.12727	0.4
167.03378	2.8
171.11594	0.5
173.02350	0.4
173.06001	0.3
175.11218	0.4
175.14801	1.1
179.10739	0.6
179.14346	0.4
185.13222	0.4
189.12787	0.3
190.04942	0.6
201.16396	0.3
203.07065	2.0
203.14331	0.8
205.08583	1.7
207.13765	0.3
208.59447	0.3
211.02531	0.3
215.07014	0.8
217.04900	0.4
217.15784	0.3
217.19418	0.3
221.15331	0.3
231.21071	0.3
233.07576	0.3
233.15338	0.3
235.16917	1.9
259.09613	1.4
259.16931	0.5
259.20685	1.3
277.14374	2.9
277.18045	2.8
277.21606	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	277.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
51.37177	0.2
52.82483	0.3
53.03937	0.4
55.01855	0.6
55.05248	0.5
55.05511	10.0
56.96568	0.3
57.03425	0.3
57.07074	17.5
57.66052	0.2
65.03934	1.0
67.05514	1.2
69.03411	0.3
69.07062	2.7
69.95283	0.6
69.95699	0.6
71.04967	0.4
79.05489	2.1
81.07061	1.5
83.04980	0.4
83.08619	0.5
87.04440	0.6
88.66490	0.2
89.03918	0.4
90.75390	0.2
91.05474	1.7
93.03384	0.6
93.07034	1.1
95.04967	0.8
95.08603	1.3
97.06528	6.0
99.08076	0.5
105.07015	0.8
107.04918	0.6
107.08587	0.7
109.10126	0.5
111.04428	0.5
113.30241	0.2
117.03386	0.5
119.08582	1.0
121.02856	4.8
121.03988	0.5
121.06496	0.4
121.10144	0.6
123.07961	0.3
129.06995	1.0
131.08562	1.1
133.02853	0.2
133.10086	0.5
134.03639	0.4
135.04420	1.2
135.07993	0.3
135.11729	0.6
138.99480	0.5
143.04886	0.6
145.02811	1.0
146.05972	0.3
147.08081	0.4
147.11746	0.4
149.02335	100.0
149.13280	0.4
150.02675	0.9
161.02330	0.7
161.05956	2.2
163.03893	5.8
167.03387	1.8
173.02338	1.1
175.07547	7.9
175.09065	0.4
177.11249	0.3
179.03406	0.7
179.10635	0.3
185.05936	0.4
189.12746	0.3
190.04936	0.6
190.08670	0.3
191.03450	1.6
191.08995	0.5
195.11624	0.3
203.07024	8.4
205.08568	0.9
213.16089	0.3
215.06998	2.0
217.04945	1.5
220.08809	0.3
221.08020	0.4
233.08069	0.5
235.16934	0.7
241.08551	0.4
248.48015	0.2
259.09631	6.3
259.20367	0.4
260.10147	0.4
277.10709	0.8
277.14398	2.4
277.19824	1.9
277.24991	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	277.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
54.56941	0.2
55.01871	0.4
55.05244	0.6
55.05511	9.2
56.44066	0.2
56.96558	0.9
57.07076	16.1
58.65331	0.2
65.03929	1.3
67.05494	1.0
69.03412	0.3
69.07052	0.7
70.71308	0.6
73.06509	0.3
73.53794	0.2
79.05493	1.3
81.03404	0.3
81.07050	1.1
83.08616	0.4
91.05469	1.5
93.03398	0.6
93.07036	1.2
95.04978	0.5
95.08596	1.0
97.06549	1.7
105.07034	0.9
106.06535	0.5
107.04970	0.2
107.08585	0.7
109.10135	0.7
111.04420	0.6
117.07024	0.2
119.08582	0.6
121.02872	5.4
121.03963	0.7
121.10130	0.3
123.04477	0.3
123.11705	0.3
129.07030	1.1
131.08577	1.5
133.02853	0.2
133.06529	0.2
133.10138	0.5
134.28406	0.2
135.04419	0.5
135.08037	0.5
135.11771	0.3
143.04887	0.6
147.04417	0.3
147.11662	0.3
149.02341	100.0
150.02681	1.3
157.06483	0.5
161.02353	0.3
161.05974	1.9
163.03908	1.4
167.03441	2.4
173.02321	0.4
175.07536	7.6
185.05971	0.5
188.09673	0.2
190.04973	0.6
191.03465	0.4
203.07033	7.7
205.08652	0.5
215.07037	0.5
217.07462	0.6
217.15926	0.3
221.08139	0.5
231.14857	0.4
235.16896	0.8
255.09102	1.1
259.09662	1.1
259.20572	0.3
273.10107	0.9
277.14581	1.9
277.18073	1.2
277.21567	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01856	1.0
55.05511	15.5
56.96555	1.0
57.03425	0.4
57.07072	2.8
62.32207	0.2
65.03938	1.1
67.05500	4.1
69.03416	0.9
69.07061	3.3
70.22437	0.7
71.04987	0.8
71.08613	0.4
79.05084	0.4
79.05495	4.9
81.03407	0.8
81.07051	5.4
83.04980	1.0
83.08604	1.4
85.06551	0.7
86.89446	0.3
91.05470	3.0
93.03423	0.3
93.07041	6.3
95.04973	2.4
95.08601	3.9
97.06519	3.6
97.10190	0.4
98.97565	0.3
99.08060	0.7
105.07014	2.9
107.04945	0.9
107.08598	3.9
109.02878	0.3
109.06509	1.6
109.10151	2.5
111.04458	0.3
111.08080	0.9
113.09644	0.8
115.38670	0.3
117.07040	0.5
119.08581	2.2
121.02865	4.8
121.03796	0.5
121.06452	0.4
121.10124	3.5
123.04414	0.4
123.08076	0.8
123.11700	1.1
125.09649	0.4
129.06966	0.2
131.08575	1.0
133.06448	0.4
133.10123	2.2
135.04437	0.6
135.08055	0.7
135.11676	2.7
137.09618	1.1
137.13310	0.4
139.11186	0.8
141.07033	0.3
143.08569	0.5
145.02821	0.3
145.10094	1.4
147.04440	0.4
147.08046	0.3
147.11681	1.6
149.02336	100.0
149.09630	0.8
149.13229	1.2
150.02687	1.2
151.11145	1.6
157.10107	0.4
159.04417	0.3
159.11716	0.8
161.13278	1.1
163.03922	1.8
163.11169	0.6
163.14842	0.4
165.12727	0.4
167.03378	2.8
171.11594	0.5
173.02350	0.4
173.06001	0.3
175.11218	0.4
175.14801	1.1
179.10739	0.6
179.14346	0.4
185.13222	0.4
189.12787	0.3
190.04942	0.6
201.16396	0.3
203.07065	2.0
203.14331	0.8
205.08583	1.7
207.13765	0.3
208.59447	0.3
211.02531	0.3
215.07014	0.8
217.04900	0.4
217.15784	0.3
217.19418	0.3
221.15331	0.3
231.21071	0.3
233.07576	0.3
233.15338	0.3
235.16917	1.9
259.09613	1.4
259.16931	0.5
259.20685	1.3
277.14374	2.9
277.18045	2.8
277.21606	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	277.1798
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
50.10984	0.4
52.38111	0.4
53.03938	1.2
55.01875	9.7
55.05510	6.5
56.96554	1.6
57.07073	2.4
67.05143	0.6
67.05505	7.7
69.07069	5.8
70.14889	0.4
71.04980	0.8
71.08614	0.7
71.20116	0.7
71.20478	0.4
72.89864	0.4
79.05499	11.4
81.03428	0.5
81.07059	37.5
83.04981	2.1
83.08605	2.0
85.06556	1.1
91.05479	5.6
92.05801	0.8
93.07046	8.9
94.07350	0.4
95.04973	2.1
95.08611	8.1
96.08955	0.5
97.06541	1.8
97.10130	0.5
99.08121	0.5
105.07028	4.8
107.04942	0.5
107.08593	6.3
109.06522	15.4
109.10157	3.0
111.04446	12.6
111.08080	1.2
117.07023	0.9
119.08584	4.5
121.06527	0.8
121.10149	4.7
123.04374	0.6
123.08080	2.0
123.11706	1.4
125.05986	4.2
129.06982	0.7
129.94359	0.4
131.08546	2.5
133.10129	4.0
135.08083	2.5
135.11697	5.0
137.05978	100.0
137.09558	1.1
137.13258	1.4
138.06351	0.9
139.07593	0.7
143.08565	1.6
145.10121	2.1
147.08049	1.0
147.11687	5.5
149.02303	0.6
149.09619	2.9
149.13263	2.3
151.07553	2.6
151.11192	1.1
157.10097	2.1
159.10100	0.5
159.11682	1.0
161.09637	3.9
161.13324	2.4
163.11205	2.3
163.14825	1.3
165.09085	2.2
171.11751	0.9
173.09648	0.5
175.02800	1.4
175.11180	3.9
175.14844	1.1
177.09113	0.7
177.12738	0.6
179.10675	2.5
184.78160	0.4
185.13315	0.8
189.12737	1.3
193.03851	1.5
193.12271	1.0
197.13408	0.5
199.11275	0.6
203.17935	4.0
205.19397	0.5
213.16383	3.1
217.12375	0.5
221.19035	1.5
231.17471	5.9
235.16875	1.8
241.15891	1.3
249.18474	2.5
255.08945	0.6
259.20352	0.6
273.10104	0.8
277.17972	7.3
277.21381	7.7
295.19077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
53.26968	0.5
55.01866	10.7
55.05509	7.1
56.96566	2.9
57.03424	1.3
57.07075	4.9
57.80093	0.5
58.07402	2.0
58.65413	0.6
65.03934	0.9
67.05505	9.7
69.03412	0.9
69.07066	6.8
70.06590	6.2
71.04978	0.7
71.06924	3.3
71.08640	1.7
71.32600	1.4
72.08961	1.2
79.05495	12.6
81.03426	0.8
81.07055	37.7
81.38746	0.6
83.04979	1.9
83.08621	3.1
83.09083	0.6
85.06540	1.0
88.07632	3.3
89.07950	3.4
90.08054	2.2
91.05462	5.5
93.07040	11.7
95.04971	2.7
95.08606	10.8
97.06531	2.8
98.97575	0.9
102.09164	0.6
103.09525	1.2
105.07029	5.1
107.04977	1.5
107.08561	8.3
108.09077	2.3
109.06517	12.8
109.10153	3.8
111.04433	12.3
111.05146	1.0
111.08099	0.9
113.65113	0.6
117.07011	1.6
119.08586	4.5
120.08904	1.1
121.06519	0.9
121.10139	6.9
123.04475	0.7
123.08068	1.9
123.11688	2.2
125.05994	3.4
125.09635	1.3
131.08571	2.4
133.10130	4.7
135.08054	2.7
135.11705	5.8
137.05975	100.0
137.13242	1.5
138.06323	1.8
142.07719	0.8
143.08553	1.8
145.10127	2.8
146.07222	0.7
147.08075	2.0
147.11673	4.9
149.02336	1.5
149.09662	2.9
149.13254	3.2
151.07526	2.5
151.11140	0.8
157.10150	1.9
159.11708	1.1
161.09651	4.8
161.10757	0.7
161.13266	2.6
163.03934	1.0
163.11252	2.9
163.14740	1.0
165.09113	2.6
167.10674	1.4
173.02493	0.6
173.13275	1.0
175.11235	3.5
175.14873	1.2
177.12735	0.7
179.10699	2.6
189.12708	1.1
193.12233	1.8
203.17896	4.4
207.13858	0.8
210.04393	0.6
213.16359	1.9
221.18979	1.0
231.17407	6.2
235.16875	1.8
249.18546	2.9
257.26727	0.9
259.20578	1.1
259.27328	3.3
277.17993	7.3
277.21548	9.4
277.28296	67.8
285.10083	1.1
286.10590	0.7
295.19037	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	277.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.5
53.03944	1.4
55.01876	2.3
55.05515	7.2
57.07077	45.8
65.94468	0.5
67.05510	10.6
69.07072	7.3
69.42352	0.8
69.42757	2.8
71.05006	0.8
71.08611	1.4
74.63103	0.4
79.05497	15.5
81.03413	1.3
81.07058	12.3
83.04958	1.3
83.08209	0.5
83.08629	4.3
85.06532	1.2
85.10193	0.4
91.05486	7.8
93.07050	25.5
94.65143	0.4
95.04967	3.4
95.08611	9.1
95.84755	0.4
97.06535	2.6
97.10166	1.2
98.20837	1.1
99.08118	0.6
105.07036	6.0
107.04951	1.0
107.07893	0.9
107.08597	13.4
109.06514	1.2
109.10138	3.7
111.08052	1.1
117.07022	1.3
119.08577	4.3
121.06559	0.5
121.10146	10.9
123.04424	3.2
123.08047	1.0
123.11700	1.1
125.09628	1.2
129.07024	0.8
131.08577	1.7
133.10132	3.7
135.08047	1.5
135.11699	10.3
137.09572	0.7
143.08582	1.0
145.10117	1.2
147.04410	0.5
147.11690	3.6
149.09641	0.6
149.13275	5.3
151.11160	1.6
157.10098	0.4
159.11690	1.3
161.09647	1.1
161.13301	2.0
163.07549	1.1
163.11179	0.7
163.14836	1.7
164.05858	0.4
165.12755	0.8
171.11766	1.1
173.13202	0.6
175.11206	0.7
175.14848	1.1
177.12723	2.2
179.10678	28.1
179.14206	1.0
180.11028	0.8
185.13228	0.7
189.12759	0.8
199.14828	0.5
201.12689	0.5
207.13940	0.5
217.15872	1.7
219.13776	5.1
221.15413	0.8
231.21208	0.6
235.16933	100.0
236.17218	3.2
241.19499	0.9
245.95566	0.5
249.22250	0.7
259.20636	1.7
261.14871	0.6
277.17993	100.0
277.21567	27.9
278.18423	3.8
278.21649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03945	5.0
54.30423	0.7
55.01875	3.6
55.05245	0.9
55.05510	18.4
55.82213	0.7
57.03427	3.4
57.07071	8.7
65.03931	2.3
67.05505	41.4
69.03437	1.5
69.07066	15.5
71.04991	5.6
71.07919	2.0
71.08630	7.0
73.06544	1.0
77.03942	1.1
79.05494	44.7
81.03420	13.1
81.07056	41.5
81.07545	1.9
81.63322	0.9
83.04973	4.0
83.08605	6.0
85.06545	7.4
91.04921	1.4
91.05484	22.8
93.07045	59.5
95.04969	55.3
95.08607	22.1
97.06529	4.5
97.10166	4.1
99.08088	5.9
103.35729	0.7
105.04528	1.2
105.06333	1.0
105.07025	16.0
107.04951	1.3
107.08591	24.5
109.06515	7.2
109.10154	10.7
111.08123	1.6
113.97692	0.7
114.08861	0.7
117.06999	4.2
118.31557	0.8
119.08583	12.3
121.06520	2.9
121.10138	20.2
123.08070	3.1
123.11713	4.1
125.09628	1.3
129.06979	2.1
131.08533	5.1
133.10129	10.3
135.08046	3.3
135.11697	16.2
137.09625	6.8
139.11122	0.9
142.07816	1.1
143.07518	0.8
143.08505	3.8
145.10120	4.1
147.08096	1.0
147.11693	6.4
149.09619	2.4
149.13252	11.1
151.11185	29.0
151.12405	1.7
157.10117	2.3
159.11673	4.5
161.09547	1.2
161.13251	5.8
163.11212	3.1
163.14824	3.5
165.12772	3.0
167.10666	1.1
171.11700	1.6
173.13251	2.7
175.11203	1.4
175.14833	2.9
177.12738	2.4
179.14293	2.8
185.13235	3.6
189.16466	0.8
191.14258	0.9
193.12230	1.1
193.15898	3.5
199.14877	1.6
203.14397	1.5
207.13802	1.3
209.15280	1.1
221.15340	10.5
231.21155	1.4
235.16890	2.5
241.19574	3.5
249.22087	2.3
259.20554	5.9
277.21631	100.0
278.21890	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	277.2162
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02338	1.0
53.03931	4.5
55.01862	4.8
55.05510	23.9
57.03438	1.0
57.07072	6.7
63.20672	1.0
65.03928	2.0
67.05142	1.6
67.05505	43.0
69.07064	16.0
69.76006	7.0
71.04981	4.8
71.08611	3.7
79.05492	68.8
81.03416	2.9
81.07056	45.5
83.04973	4.5
83.08624	10.1
85.06540	3.2
91.05476	27.9
93.07041	91.3
95.04967	9.8
95.08607	30.8
97.06525	3.2
97.10159	4.3
99.08088	2.5
101.06058	1.3
105.04522	1.5
105.07030	18.2
107.04936	2.5
107.08593	46.1
109.06480	4.4
109.10159	14.4
111.08051	3.1
117.07008	3.7
119.08587	12.8
121.06487	1.2
121.10139	34.0
123.08071	2.1
123.11713	3.2
125.09618	2.0
128.06242	1.1
129.06992	2.7
131.08557	5.2
133.10141	12.5
135.08080	2.1
135.11694	37.3
135.12730	1.8
137.09599	3.8
143.08539	4.2
145.10104	4.8
147.11699	8.8
149.09691	1.6
149.13261	22.2
151.11195	3.3
153.09161	1.3
157.10109	1.9
159.11671	3.2
161.13243	6.0
163.11124	2.1
163.14793	6.8
165.12758	2.1
167.10611	1.3
171.11684	3.4
173.13263	2.8
175.11079	2.0
175.14778	3.3
177.12704	1.6
179.14264	1.7
181.12344	2.3
185.13228	2.1
189.12816	2.4
199.14748	3.0
203.14388	1.8
207.13753	2.3
213.16353	1.2
217.19563	2.8
221.15350	4.0
224.84692	1.3
231.21149	1.4
235.16862	5.7
241.19508	3.4
259.20581	9.8
277.21628	100.0
278.21881	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	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.76462	1.2
53.03930	3.9
55.01857	5.3
55.05280	1.3
55.05512	17.5
55.41473	1.2
56.96552	1.2
57.03429	2.0
57.07059	3.5
57.43656	1.2
57.93976	1.3
65.03925	1.5
67.05143	2.1
67.05502	41.5
69.07063	13.6
69.62662	7.8
71.04978	2.8
71.08620	7.0
79.05490	46.4
81.03429	6.0
81.07054	36.8
81.07544	2.1
82.00282	1.0
82.40713	1.1
83.04990	2.8
83.08607	8.4
85.06523	2.5
85.10187	1.1
91.05479	19.6
93.07040	60.5
95.04947	10.0
95.08599	22.3
97.06516	4.4
97.10155	4.5
99.08076	6.2
100.21117	1.3
105.07020	17.5
107.04944	4.4
107.08590	34.4
109.06502	4.7
109.10156	12.4
111.08096	2.4
117.07025	5.0
119.08569	15.1
121.06475	1.8
121.10149	15.6
123.08016	2.8
123.11694	4.2
125.09611	2.2
129.06996	2.3
131.08557	5.2
133.10139	10.3
135.08034	2.7
135.11687	18.0
137.09579	1.8
137.13206	1.8
143.08548	4.0
145.10123	5.8
147.07985	1.5
147.11694	9.9
149.09587	2.1
149.13254	12.0
151.11171	5.0
157.10141	3.1
159.11664	2.8
161.09521	1.2
161.13261	7.2
163.11165	5.7
163.14828	5.8
165.12724	2.9
171.11713	3.5
173.13200	1.8
175.14830	4.6
177.12703	2.1
177.16344	1.1
179.14294	1.8
181.12260	1.6
185.13228	3.5
189.12726	3.0
195.13811	1.4
199.14891	1.7
207.13750	1.9
217.19376	1.9
221.15350	3.2
231.21088	2.3
235.16949	3.1
241.19485	4.4
249.22148	1.4
259.20621	10.1
277.21606	100.0
278.21741	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	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03941	3.8
55.01871	33.5
55.05249	2.0
55.05508	29.3
56.96553	3.9
57.03431	1.7
57.07069	8.7
67.05505	45.7
69.03413	1.9
69.07064	17.0
70.75890	1.9
70.76210	3.4
71.04983	3.7
71.08627	6.0
78.78881	1.5
79.05494	45.2
81.03391	3.9
81.06609	3.4
81.07056	50.4
81.07539	2.5
83.04977	8.7
83.08611	13.2
83.19720	1.4
85.06525	2.1
85.10164	2.4
91.05482	29.7
93.07040	60.2
95.04973	14.2
95.08604	32.6
97.06534	10.5
97.10197	4.2
99.08074	7.7
105.07025	23.1
107.04998	2.6
107.08588	33.0
109.06511	7.2
109.10144	12.4
111.08086	38.9
113.05971	2.1
113.09634	2.9
117.07024	4.6
119.08586	14.2
121.06525	2.0
121.10135	26.1
123.08062	4.7
123.11679	4.6
126.80329	1.4
129.06931	2.2
131.08559	5.2
133.10109	18.2
135.08054	4.5
135.11684	21.4
137.05956	2.2
137.09578	3.1
137.13322	2.3
143.08516	3.3
145.10106	7.5
147.08017	2.8
147.11665	13.1
149.02357	2.6
149.09557	4.0
149.13223	15.0
149.73039	1.8
151.11194	7.3
153.12776	4.0
159.11702	2.6
161.09579	2.4
161.13271	11.0
163.11217	5.3
163.14813	4.9
165.12770	8.5
171.11699	5.6
171.96957	1.6
173.13237	2.5
175.11163	3.0
175.14772	3.5
177.12791	3.1
177.16504	2.0
179.10786	2.8
179.14345	2.6
185.13332	2.9
189.12752	2.8
189.16269	1.7
193.12244	2.0
207.13835	3.7
217.19528	1.9
221.15353	5.4
231.09114	3.2
231.21120	3.3
235.16971	7.9
241.19594	4.6
249.22098	5.1
254.13136	3.6
259.20581	10.3
272.14099	2.2
275.31079	1.7
277.18188	6.0
277.21631	100.0
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
53.03932	3.6
55.05290	1.2
55.05513	17.7
57.07063	2.4
63.00037	1.0
65.03935	1.6
67.05504	31.9
69.07070	14.3
69.86546	2.3
69.86965	3.4
71.05000	1.7
77.03928	1.1
78.57895	0.9
79.05492	67.2
79.58098	1.2
81.07053	32.9
83.04962	1.4
83.08614	7.8
85.06551	1.4
91.05470	21.7
93.07043	100.0
95.04974	5.9
95.08607	23.5
97.06525	1.8
97.10157	4.0
98.20836	1.1
105.04493	1.8
105.07027	12.1
107.08591	47.9
109.06505	2.3
109.10165	13.0
117.06993	3.6
119.08591	9.7
121.06515	1.2
121.10139	41.7
123.11693	3.5
131.08551	3.7
133.10103	10.4
133.34926	1.1
135.08112	1.5
135.11690	58.2
143.08531	1.5
145.10092	2.3
147.11684	7.1
149.09622	1.4
149.13258	25.5
157.10133	1.3
159.11652	3.2
160.37221	1.0
161.09584	1.3
161.13255	4.4
163.11186	2.3
163.14822	4.4
171.11665	2.3
173.13269	2.1
175.11218	1.6
175.14815	2.2
177.12709	1.4
181.12222	1.7
185.13223	2.2
193.12248	1.6
195.13715	1.1
199.14664	1.0
205.33931	1.2
213.16469	1.9
221.15334	2.3
235.16936	5.1
241.19234	1.3
259.20517	4.5
277.21609	70.2
278.21982	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	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03934	4.9
55.05290	1.5
55.05510	18.1
57.07052	3.3
65.03902	1.6
67.05502	29.2
69.07063	14.9
70.62154	1.3
71.04967	2.7
71.11446	2.3
71.11789	1.6
71.35935	1.1
79.05491	71.4
81.07051	36.4
83.04974	1.6
83.08606	6.7
85.06552	1.7
91.05473	28.6
93.07038	100.0
95.04977	7.7
95.08598	24.0
97.10156	4.4
105.07023	15.9
107.08588	46.9
109.06518	2.6
109.10149	12.7
111.05807	1.3
117.06996	3.6
119.08551	10.9
121.10138	41.9
123.11673	2.9
129.06955	2.1
131.08566	4.3
133.10110	10.3
135.11687	43.0
145.10109	3.6
147.11707	6.6
149.13242	20.1
157.10101	2.0
159.11673	3.4
161.13257	3.5
163.14815	5.4
169.94746	1.5
171.11682	3.0
173.13319	2.1
175.11153	1.6
175.14769	1.5
185.13219	2.1
207.13905	1.4
213.16353	1.6
221.15411	3.5
235.16930	4.1
241.19475	2.1
259.20645	3.4
277.21622	58.3
278.21835	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	278.1023
Annotation	N-Hydroxyannomontine
Peak:m/z	Relative Intensity
56.96555	0.4
64.06776	0.2
69.75319	1.4
70.06583	0.4
84.08129	0.4
85.02889	0.9
91.05462	0.9
98.97614	0.3
117.05767	1.8
117.25882	0.2
118.06536	17.3
120.08060	0.2
130.06543	0.6
132.08128	0.4
133.05162	0.2
133.07953	0.2
133.08922	0.3
144.08105	2.0
145.05211	0.4
145.08856	0.9
146.06003	7.8
146.09602	0.5
148.07545	1.0
148.11218	2.5
160.07562	0.3
162.05496	0.2
172.07562	1.2
173.08372	0.6
174.05537	1.5
174.09125	0.9
176.07057	0.7
178.08580	0.6
188.07120	0.4
189.07797	0.5
190.08629	48.6
191.09131	0.7
202.08580	0.8
204.10167	0.6
205.07307	0.2
206.08119	2.9
207.29199	0.2
216.15930	1.2
218.08119	11.7
220.09691	5.6
232.09653	0.9
233.10440	0.6
246.07614	8.1
248.09158	3.4
250.10733	1.0
260.09113	0.6
278.10233	100.0
279.10590	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	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62846	0.7
56.96560	9.1
71.40063	1.3
71.95267	1.1
98.97581	100.0
107.39390	0.8
110.97567	17.9
116.98618	71.4
128.98601	29.3
131.00192	1.1
134.99655	35.3
140.00211	1.1
143.00148	1.7
146.99652	25.6
149.01244	1.1
149.02251	1.6
153.00696	5.0
158.01242	1.6
158.98341	1.5
158.99646	31.6
161.01158	1.1
165.00746	2.7
170.99664	7.9
177.00711	80.4
189.00705	32.6
195.01778	8.3
200.02380	1.2
207.01762	20.4
209.67780	0.8
219.01715	5.3
225.02838	1.2
237.02753	7.6
255.03906	5.6
255.06264	0.8
279.04108	6.1
279.09384	7.7
297.04953	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	279.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01856	2.6
55.05491	2.1
56.05025	2.8
56.96309	2.2
56.96564	27.2
57.03423	4.7
57.07071	10.8
59.60259	1.1
61.01154	1.4
61.02916	5.8
65.03945	1.8
67.05498	3.0
69.03429	9.8
69.07072	1.7
70.06584	6.6
71.04974	3.6
71.48999	2.0
71.95246	2.4
72.08150	2.5
73.02904	7.1
74.06065	2.4
79.05508	2.6
81.03418	3.3
81.07064	2.1
84.04478	2.3
84.08127	4.5
85.02899	17.8
86.09707	3.5
91.05463	3.1
93.07012	2.0
95.06079	2.0
95.08595	2.9
97.02878	12.9
98.03146	2.2
98.97578	90.6
99.04401	1.5
103.02391	1.3
107.04929	2.8
109.02883	1.9
110.07172	6.0
110.97559	14.1
111.04426	2.0
112.99154	1.6
116.07088	4.8
116.98618	83.9
119.04938	3.1
120.08043	1.5
121.02873	4.1
127.03909	3.7
127.11205	1.3
128.98608	35.7
131.00148	3.9
132.04369	2.4
133.03313	1.3
134.05957	1.6
134.99652	61.3
136.07552	3.9
139.03979	2.5
140.02168	1.4
140.04050	1.9
140.10860	1.2
143.00157	2.7
145.01591	1.2
145.04951	1.9
146.99644	37.3
147.03200	2.5
147.04364	1.6
148.03836	1.8
149.01266	3.1
149.02318	76.5
151.02716	1.4
152.04088	1.7
152.07016	2.5
153.00696	12.4
153.03088	2.2
158.01244	2.9
158.99655	31.2
159.03253	2.0
160.03882	1.9
161.01230	4.1
161.04657	7.5
163.03926	1.7
165.00706	8.8
166.05328	2.7
167.03337	2.3
167.08179	1.9
168.03712	1.9
169.04411	6.5
170.01207	1.6
170.05177	48.1
170.55373	2.5
170.99619	9.8
175.02510	2.1
175.04361	1.6
177.00711	100.0
177.04192	10.2
181.55981	1.7
182.03410	1.6
189.00699	53.6
189.04181	4.2
189.05690	1.6
190.98543	2.0
195.01764	15.2
195.05383	4.7
200.02315	2.3
201.00760	1.7
207.01744	31.5
208.99727	2.4
211.02803	1.7
212.02278	1.9
213.08595	1.8
219.01738	10.9
219.05128	9.0
225.02847	2.9
233.04344	1.5
237.02818	16.2
249.02675	1.3
249.06351	1.6
255.03889	8.5
261.02951	1.3
261.06268	1.3
270.06650	2.1
279.03842	11.9
279.09122	2.0
279.13446	5.3
279.16965	3.1
297.04932	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	279.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01886	0.7
55.05512	36.5
56.05020	0.7
56.96549	0.8
57.07063	2.1
57.98785	1.2
58.99580	15.8
65.03919	1.5
67.05495	1.3
69.03424	1.0
70.06583	0.8
71.04986	0.7
72.94308	0.6
73.01135	1.9
74.76767	0.6
76.01916	0.6
76.02234	5.9
76.04002	3.9
79.05485	0.8
81.07051	1.8
82.06554	0.6
83.08620	31.5
84.04459	1.0
84.08116	0.8
85.02908	0.8
86.09703	1.3
86.98563	1.1
86.99054	14.2
88.02209	4.1
91.05464	1.9
93.03392	0.8
93.07030	1.3
95.04958	1.2
95.08586	2.2
98.97581	1.7
101.09614	1.6
105.07007	1.0
107.04935	0.7
107.08591	0.9
111.04453	1.3
116.01678	59.1
116.98614	1.5
117.07010	0.9
119.08566	1.5
121.02858	2.4
121.06469	0.8
121.10051	0.6
128.98656	0.7
129.07265	0.7
130.04990	1.0
135.08017	0.7
139.03905	2.2
144.01146	25.3
146.99644	0.6
147.04417	3.0
148.04794	0.7
149.02350	16.0
159.08365	6.4
161.09683	0.9
162.02202	100.0
163.02547	0.9
175.07594	0.7
177.00668	1.2
177.05487	1.0
186.40073	0.6
199.11229	1.1
223.89090	0.5
227.77815	0.5
233.11569	0.6
244.09999	1.4
262.11099	19.9
279.09027	1.2
279.13345	2.7
279.16788	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	279.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05042	0.2
57.05819	0.4
57.07066	0.7
58.06592	0.4
63.87287	0.2
65.03938	0.4
67.05502	0.6
69.07069	11.5
70.06583	0.2
71.04962	0.2
71.48867	0.2
72.08153	0.6
79.05499	0.4
81.07033	0.2
84.08127	0.6
85.02911	0.3
86.09708	100.0
87.10043	0.6
91.05487	0.3
95.04983	0.3
95.08609	0.7
98.97589	0.8
103.05497	0.5
107.04969	0.3
109.06537	0.3
110.06081	0.3
116.98657	0.5
120.08105	7.8
120.08974	0.5
121.02870	0.6
129.10263	0.3
131.04930	0.3
131.08551	0.2
149.02341	6.5
158.99699	0.3
166.08649	4.8
177.00705	0.4
191.10617	0.2
205.08775	0.2
233.16623	0.5
261.14905	0.2
269.60150	0.2
279.09897	0.6
279.17136	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	279.1704
Annotation	Leu Phe
Peak:m/z	Relative Intensity
55.05495	0.5
56.05027	0.3
57.05823	0.5
58.06616	0.3
64.48376	0.2
67.05511	0.4
69.07069	12.0
69.24593	0.6
69.25007	1.7
69.81180	0.3
72.08153	0.5
79.05499	0.4
86.09705	100.0
87.10039	0.7
91.05465	0.4
95.04980	0.3
95.08617	0.4
98.21564	0.5
98.97609	0.6
107.82708	0.3
109.06571	0.2
116.98633	0.5
120.08102	8.2
120.08970	0.4
121.02853	0.6
124.80164	0.2
145.06429	0.2
146.06027	0.3
149.02341	2.7
158.99667	0.3
166.08638	5.3
177.00800	0.4
233.16582	0.4
279.17026	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	279.1702
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
55.05503	0.5
57.07085	1.1
58.90819	0.5
67.05500	0.8
69.03427	0.6
69.07067	0.9
70.16050	0.4
71.04993	0.4
74.13221	0.4
79.05491	1.4
81.07059	2.2
83.97549	0.4
84.08130	0.7
85.06542	1.7
86.09710	100.0
87.10034	0.6
91.05473	1.1
93.07035	2.1
95.04955	0.7
95.08575	0.5
95.37679	0.4
98.97622	0.9
103.05463	6.0
105.07021	0.7
107.04938	0.7
107.08568	0.7
118.06545	0.6
120.08109	99.5
121.06467	0.4
121.08434	1.2
123.11736	2.5
131.04977	0.6
132.10213	1.5
135.04428	0.4
149.02342	6.1
149.05966	0.7
166.08646	7.1
177.05565	0.6
177.40996	0.4
177.51312	0.4
201.64474	0.4
233.16447	1.2
279.17062	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	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03929	0.9
54.48466	0.7
55.05503	7.9
57.03429	0.9
57.07072	2.2
65.03948	2.5
67.05505	100.0
68.05817	1.1
69.07072	7.3
71.04983	2.0
71.20128	0.7
71.20453	1.3
77.03926	0.9
79.05487	12.6
80.63240	0.7
81.07055	98.4
82.07391	0.7
83.08627	4.0
85.06527	1.8
91.05465	4.2
93.07045	10.5
95.04974	1.2
95.08606	70.3
95.76831	0.7
95.86690	0.7
97.06517	1.7
97.10147	2.6
99.08051	0.7
105.07018	3.8
107.08595	6.4
109.06503	0.8
109.10149	25.5
111.11674	0.8
117.07044	1.0
119.08551	3.0
121.06433	0.8
121.10148	5.9
123.08056	1.8
123.11700	16.1
127.07562	1.0
131.08559	3.4
133.10115	2.6
135.11674	3.9
137.09624	0.8
137.13251	10.9
141.12758	0.9
145.10037	2.4
147.11682	1.8
149.02412	1.0
149.09564	1.1
149.13232	3.9
151.14836	3.7
153.09160	1.0
159.11671	3.0
161.13225	1.6
163.11147	1.8
163.14755	1.4
173.13245	6.8
177.12712	1.4
181.12210	1.2
187.14755	2.7
191.14241	2.1
195.13715	2.7
209.00885	0.8
209.15320	3.1
216.59967	0.8
223.16872	2.9
237.18378	1.2
243.20947	1.8
261.22107	3.7
279.23193	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	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03945	1.0
55.01863	0.5
55.05512	8.1
57.07081	2.6
61.50764	0.3
65.03941	3.2
67.05505	100.0
69.07066	8.0
70.64378	0.6
70.64710	0.6
71.04984	1.0
79.05491	11.8
81.07056	98.9
82.07390	1.3
83.04980	0.8
83.08624	4.4
85.06532	1.1
91.05479	2.7
93.07038	7.9
95.04968	0.9
95.08605	68.2
96.08933	0.8
97.06512	1.1
97.10174	1.9
98.32816	0.4
105.07037	2.9
107.08586	5.4
109.06514	0.7
109.10154	39.3
110.10494	0.6
111.08089	0.7
111.11689	0.5
117.07021	0.9
119.08597	2.3
121.10155	4.7
123.08100	1.0
123.11705	24.8
124.12093	0.4
127.07520	1.1
131.08577	2.6
133.10118	2.2
135.08051	0.5
135.11679	3.2
137.09599	0.9
137.13263	9.5
142.58630	0.4
145.10106	1.6
147.11678	1.7
149.02332	4.2
149.09570	0.8
149.13254	1.4
151.11224	0.8
151.14787	2.4
153.09122	0.7
159.11702	1.5
161.13264	1.8
163.11195	0.7
163.14816	1.6
165.12788	0.5
165.16345	0.8
168.04826	0.4
173.13269	3.2
177.12764	1.0
177.16377	0.5
179.14304	0.5
181.12181	0.9
187.14839	1.4
191.14296	1.0
195.13776	1.6
201.16319	0.8
205.15855	0.8
209.15398	2.2
212.39378	0.5
215.17899	0.5
223.16888	2.5
237.18509	0.9
243.21043	0.8
261.22214	2.6
279.23187	29.8
280.23499	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	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03948	2.0
55.05513	6.6
57.07061	1.7
61.30424	1.1
63.30497	0.9
65.03937	3.5
67.05505	100.0
69.07069	7.1
69.67995	5.3
76.57313	1.0
79.05492	12.8
81.07056	96.9
83.05004	1.7
83.08604	4.5
85.06539	2.7
91.05472	3.8
93.07042	10.9
95.08606	83.1
97.06534	1.4
97.10150	2.5
98.21504	1.9
105.07008	3.6
107.08589	7.7
109.10155	27.3
117.07033	1.5
119.08591	1.7
121.10164	6.9
123.08083	1.9
123.11703	14.6
131.08598	4.8
133.10149	1.5
135.08072	2.0
135.11699	5.0
137.09613	1.7
137.13240	13.9
145.10143	2.9
147.11678	2.5
149.09554	1.5
149.13235	3.5
151.14796	5.2
159.11688	2.9
161.13293	1.3
163.11209	3.0
163.14865	1.5
173.13231	6.3
176.90277	1.0
177.12776	2.6
177.16309	1.0
181.12250	2.2
187.14772	3.1
191.14304	1.8
195.13805	3.6
209.15399	3.6
223.16904	2.9
243.21158	1.5
261.22119	3.3
279.23203	23.5
279.26047	2.0
287.89334	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	279.2317
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
53.03950	1.5
55.01868	1.6
55.05512	12.2
57.03444	1.1
57.07073	3.4
65.03944	2.8
67.05503	100.0
68.05835	0.9
69.03430	0.7
69.07064	12.9
71.04976	1.8
71.08620	1.2
71.35316	0.5
79.05490	16.6
81.03435	0.8
81.07054	98.3
82.07404	1.4
83.04979	2.1
83.08625	6.6
84.68166	0.6
85.06541	1.8
91.05481	6.0
93.07037	17.3
95.04957	2.8
95.08604	78.3
96.08936	1.0
97.06522	3.3
97.10174	4.1
98.97573	1.0
99.08115	1.3
105.07034	4.8
107.04964	1.5
107.08587	11.0
109.06573	1.5
109.10152	44.1
110.10451	0.8
111.08054	1.4
111.11697	1.3
116.98617	1.1
117.07027	1.2
118.42274	0.6
119.08578	4.9
121.02925	0.9
121.06502	1.5
121.10139	8.9
123.08071	2.2
123.11703	25.0
125.09600	0.8
131.08569	4.6
133.10094	3.8
135.08041	1.8
135.11710	5.2
137.09602	2.9
137.13254	9.2
145.10141	2.9
147.11647	2.8
149.02339	10.8
149.09625	1.9
149.13211	2.9
151.11165	2.0
151.14809	2.6
151.70328	0.6
159.11699	3.1
161.13245	2.5
163.11180	1.4
163.14790	2.4
165.12740	0.9
165.16479	1.2
167.10674	0.9
167.46461	0.6
173.13263	3.4
175.14775	1.0
177.12775	1.3
177.16380	0.9
179.14267	0.9
181.12215	1.5
187.14807	2.6
191.14343	1.5
195.13808	3.0
201.16357	0.8
205.15857	1.5
209.15382	2.3
219.05664	1.1
223.14998	0.6
223.16862	2.7
232.14986	0.6
233.18938	0.5
237.18512	1.7
243.21085	2.9
261.18497	0.7
261.22089	4.6
279.09348	0.8
279.19604	6.3
279.23138	36.9
280.23456	1.2
280.26288	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	280.1293
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
53.07863	2.0
54.27423	2.0
55.05512	2.2
56.05032	2.5
56.96556	7.0
57.03424	2.7
57.07061	2.9
61.10077	1.9
69.03431	4.8
70.01279	9.7
70.02957	16.0
70.06590	4.1
70.18747	2.6
72.08130	3.0
74.05479	2.2
75.75211	1.9
79.05502	5.1
79.81609	1.8
81.07031	2.1
84.08139	3.2
85.02893	4.9
87.05094	4.0
87.05595	54.6
88.03999	3.1
91.05480	100.0
97.02903	3.1
98.02420	4.0
98.20909	2.2
98.97591	5.8
103.05454	30.6
103.06078	2.6
107.04978	13.7
116.98613	7.5
118.06541	5.5
119.04945	9.3
120.08103	83.7
120.08961	4.5
122.07275	2.7
123.07914	3.3
128.98631	2.9
129.06990	4.7
130.06514	17.8
131.04933	20.1
134.99657	4.3
135.94435	2.4
136.06190	4.5
144.08073	7.3
146.99722	2.3
147.04404	22.4
147.09142	4.5
149.02353	15.8
149.05997	5.1
150.02632	13.2
154.06520	3.5
157.06487	9.7
158.99667	2.3
166.08621	28.0
172.07562	23.3
175.08672	60.9
177.00703	4.4
178.01102	2.6
182.06013	26.2
189.10289	2.9
193.04456	4.8
200.07065	99.7
203.08170	5.6
208.02095	2.3
208.49361	2.1
217.09761	10.0
219.05688	2.6
221.09209	46.8
228.06561	6.5
234.12428	14.4
245.09308	13.5
246.07646	68.4
262.12143	2.9
263.10300	21.8
280.12634	2.2
280.16214	3.2
281.10669	5.0
299.06213	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	281.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01875	0.5
55.05502	0.7
56.96565	2.1
57.03439	0.4
57.07064	0.7
58.06597	5.6
61.02917	1.0
65.03898	0.3
67.05495	1.1
69.03432	2.7
69.07068	0.9
69.80244	1.4
70.02946	0.8
70.06602	1.8
71.04982	0.7
71.08607	0.4
72.08150	1.8
72.93762	0.2
73.02917	0.6
73.05314	0.3
74.02438	0.6
79.05489	0.9
81.03426	1.1
81.07049	1.5
83.04982	0.4
83.08614	0.6
84.04536	0.3
84.08137	1.2
84.96037	0.3
85.02906	4.5
85.03406	0.5
85.06538	0.4
86.06069	0.5
86.09702	0.8
87.04466	1.0
88.07627	100.0
89.07973	0.8
91.03951	0.6
91.05483	0.6
93.07051	0.6
95.04958	0.5
95.08600	0.8
97.02892	3.0
97.10154	0.3
98.06039	0.4
98.97560	1.6
99.04428	0.5
103.05472	0.4
105.07037	0.6
107.04951	0.8
107.08572	0.3
109.02891	0.5
109.06518	0.5
109.10166	0.6
110.97548	0.4
113.05936	0.2
116.07088	0.4
116.98628	1.5
118.06536	2.0
119.08592	0.5
120.05487	0.5
120.08099	4.8
121.06468	0.4
121.10110	0.3
123.04417	0.3
123.08013	0.3
127.03931	1.3
128.98633	0.8
129.06989	0.3
129.10231	0.5
130.06590	0.4
133.02846	1.0
133.06519	0.3
134.99661	1.4
136.06226	0.2
136.07582	0.4
137.05956	0.5
139.03923	0.6
145.04968	0.6
146.05992	1.0
146.99620	0.8
147.04448	0.4
148.04745	0.4
149.05959	0.4
152.05679	0.5
161.01166	0.3
162.04166	0.3
162.09129	3.2
162.11469	0.5
163.03850	0.3
166.08640	1.4
174.09167	0.3
177.00665	0.6
178.02615	0.6
178.07156	0.8
189.00648	0.4
190.08583	1.0
192.10091	0.4
193.04948	2.8
194.99689	0.4
200.03339	0.7
206.07941	0.3
209.03882	0.8
213.00706	1.4
217.13463	0.3
218.08122	1.4
218.09927	0.3
219.01805	0.4
222.11284	0.3
226.74568	0.3
227.02174	0.4
231.01740	0.6
235.10828	1.5
236.09131	0.4
237.00735	0.5
237.02792	1.8
245.12819	0.6
250.10733	3.3
251.78853	0.2
255.01659	1.1
263.10278	0.5
263.13873	0.9
266.99792	0.4
273.02832	1.7
281.06348	3.1
281.11639	0.6
281.14911	11.8
281.56131	0.4
282.13168	0.8
299.06104	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	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.4
53.25806	1.9
54.16618	2.0
55.01876	3.4
55.05508	47.9
56.96548	5.0
57.03435	22.3
57.07065	4.6
65.03922	2.8
67.05505	76.0
69.03416	2.9
69.07067	26.9
69.23659	10.3
69.24087	10.3
71.05004	2.7
73.06546	3.4
79.05491	100.0
81.03428	13.9
81.07054	76.2
83.04974	33.5
83.08614	17.3
85.06544	4.2
90.53320	1.9
91.05473	59.2
93.07041	66.7
95.04966	28.3
95.08604	46.1
97.02869	2.9
97.06519	6.0
97.10169	11.0
98.97575	4.5
103.05497	2.1
105.07029	48.1
107.04935	8.7
107.08585	26.5
109.06530	9.6
109.10152	16.3
111.08064	1.9
111.11730	2.7
115.05434	3.9
116.98580	2.0
117.07008	12.6
119.08576	28.2
121.06516	3.8
121.10125	7.3
123.08065	7.0
123.11710	46.1
128.06219	8.1
129.07011	16.6
131.08582	2.8
133.06534	2.2
133.10130	13.9
135.11664	3.3
141.07002	3.3
142.07809	2.7
143.08540	15.4
145.06487	74.5
145.10040	9.9
147.08067	3.5
147.11681	29.7
154.07768	4.6
155.08540	5.6
156.09338	3.9
157.10092	10.0
159.08069	9.0
161.09642	5.4
161.13252	13.6
165.46892	1.9
169.06465	1.9
169.10100	6.0
170.07339	2.4
171.08049	23.8
171.11665	27.9
173.09686	3.1
182.07243	4.0
183.08035	10.9
183.11714	4.5
185.09612	46.3
189.12796	9.0
196.08862	2.4
197.09604	32.0
198.10364	3.3
199.11205	16.2
207.13802	11.6
211.11166	17.9
225.12692	10.0
239.14227	4.9
281.11877	2.7
281.17468	25.1
281.19000	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02354	1.4
53.03949	9.5
55.01873	8.0
55.05512	36.7
56.96539	4.8
57.03436	30.8
57.07064	2.9
59.81175	1.0
65.03908	4.1
67.05504	87.9
67.05846	2.9
69.03395	4.3
69.07069	24.9
69.74484	1.8
69.74897	4.9
71.04952	5.2
71.74415	1.2
73.02914	1.4
73.06525	3.5
79.05493	100.0
81.03416	17.4
81.07054	72.3
82.07359	1.6
83.04978	41.1
83.08612	11.9
85.02878	2.8
85.06516	4.6
91.05477	74.4
93.07042	80.1
95.04966	29.7
95.08604	47.6
96.37284	1.2
97.02831	5.2
97.06522	9.7
97.10172	7.4
98.20867	1.6
98.97549	2.0
99.08072	1.8
103.05453	1.9
105.04525	1.6
105.07027	53.6
107.04967	8.7
107.07926	1.8
107.08593	26.1
109.06523	12.3
109.10159	10.7
111.08057	2.9
111.11610	1.4
115.05410	2.1
116.98562	2.2
117.07027	10.3
119.08577	33.1
121.06434	4.6
121.10138	10.1
123.08065	9.2
123.11628	4.1
125.09599	2.7
127.07524	2.3
128.06186	2.9
128.92931	1.3
129.07007	21.9
131.08566	5.8
133.06442	3.4
133.10132	18.2
134.99550	1.3
135.07976	2.4
135.11612	4.3
137.09555	2.0
137.13141	1.6
141.09161	1.2
143.08540	11.9
145.06476	6.1
145.10106	13.7
147.04431	1.2
147.07970	3.1
147.11679	42.0
149.09428	1.2
151.11171	1.8
155.08511	1.7
155.80931	1.2
157.10069	2.3
159.11621	1.9
161.09642	7.7
161.13232	19.1
163.11070	1.6
165.06952	2.0
169.10043	1.8
171.07964	3.4
171.10336	2.0
171.11682	30.0
173.40045	1.2
183.08006	2.2
185.09529	4.6
189.12730	11.6
197.09554	2.6
197.13127	1.3
207.11942	1.5
207.13792	14.5
211.11012	1.9
239.07010	2.0
263.12659	1.4
263.20029	1.4
281.11044	2.7
281.17334	40.1
281.22449	3.1
299.05914	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03945	7.7
55.01864	6.3
55.05513	36.9
56.96562	2.3
57.03437	24.3
57.07081	3.7
59.04990	2.4
65.03955	3.5
67.05507	81.4
69.03426	4.5
69.07069	21.1
70.83874	4.1
71.04987	5.9
73.02926	1.6
73.06552	3.1
79.05494	100.0
81.03416	15.0
81.07056	66.3
83.04980	38.1
83.08622	12.2
85.02898	1.7
85.06546	4.9
87.04492	3.1
91.05484	64.3
93.07045	72.8
95.04969	29.5
95.08609	47.2
96.40498	1.6
97.02888	3.1
97.06539	8.5
97.10169	7.8
98.97594	4.3
99.08099	2.8
101.06005	3.5
103.05467	2.9
105.04556	1.6
105.07032	48.8
107.04971	8.8
107.08592	26.1
109.06529	10.9
109.10161	13.3
111.04419	2.0
111.08076	5.6
115.05471	2.3
116.98662	3.7
117.06998	10.1
119.08582	33.7
121.06531	3.3
121.10153	9.4
123.08092	8.3
123.11726	3.6
125.06007	1.6
125.09646	1.8
127.07603	2.1
128.06245	4.1
129.06984	20.4
130.07707	1.5
131.08578	5.7
133.06514	1.8
133.10167	16.1
135.08044	2.8
135.11705	4.5
141.07014	3.0
141.09091	1.8
142.07741	1.4
143.08568	12.2
145.06531	3.2
145.10109	11.0
147.08064	4.7
147.11685	40.6
151.11302	1.7
157.10181	1.8
159.11700	3.2
161.09608	7.3
161.13260	14.8
161.58240	1.5
163.11165	1.9
165.09175	2.1
167.58632	1.6
169.10196	1.6
171.11691	30.8
177.00642	2.1
179.08635	2.0
183.08009	2.4
185.09531	4.4
189.12698	8.2
197.09656	5.2
202.99580	1.5
207.13799	11.8
211.11224	3.2
220.10304	3.1
229.61157	1.4
235.16972	1.7
253.19565	1.6
263.16443	2.6
281.11243	2.1
281.14371	3.6
281.17337	38.7
302.01102	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.7
53.68999	2.3
55.01875	9.7
55.05514	37.5
56.96572	13.1
57.03439	29.6
57.07076	10.3
59.05012	3.1
65.03946	6.9
67.05506	97.5
69.03438	5.8
69.07067	37.4
70.06584	2.9
71.01733	5.1
71.02074	3.5
71.04994	10.0
71.08627	7.1
79.05494	100.0
81.03416	17.0
81.07056	97.3
83.04977	36.6
83.08625	23.4
85.02906	5.2
85.06533	8.4
87.04469	4.6
88.41042	2.6
91.05480	77.2
93.07044	86.5
95.04958	33.1
95.08607	67.6
97.02914	5.3
97.06530	14.5
97.10173	11.4
98.97604	4.5
99.08117	3.4
105.07037	57.1
107.04959	9.0
107.08591	30.6
109.06537	11.4
109.10147	24.8
111.08067	5.7
111.11799	4.0
115.05461	3.8
116.98627	7.1
117.07032	15.0
119.08569	33.4
121.06529	6.0
121.10175	14.0
123.08041	17.3
123.11704	5.1
125.09646	4.0
128.06223	6.0
129.06996	19.1
131.08635	6.4
133.06473	3.2
133.10136	27.7
134.99600	4.2
135.11743	6.5
137.09625	4.5
141.06993	3.5
143.08604	12.8
145.10074	17.0
146.61560	2.3
147.04462	3.8
147.08098	4.5
147.11696	42.5
149.02394	2.9
150.02733	2.6
150.27707	2.4
150.52849	2.4
151.02769	3.9
153.01021	3.3
153.96925	3.0
157.10139	5.5
161.09659	9.7
161.13300	19.6
163.11133	4.6
169.10048	3.9
171.11690	31.1
177.00690	2.9
183.11763	4.2
189.12761	11.3
193.10216	3.1
197.13298	3.4
207.12097	2.8
207.13814	13.0
217.15955	3.5
230.92366	2.5
235.11092	3.1
239.17909	3.1
245.15303	2.8
253.12350	3.6
263.16516	6.8
263.20248	3.1
281.11578	7.5
281.14923	4.3
281.17456	32.0
281.22589	8.9
281.28384	3.1
299.06146	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	281.211
Annotation	5-Acetoxynerolidol
Peak:m/z	Relative Intensity
51.99253	3.4
55.01871	29.8
55.05511	34.3
56.96554	15.7
57.03438	24.0
57.07072	12.2
64.43625	3.6
67.05506	90.1
69.03436	6.3
69.07066	36.8
70.54675	6.6
70.55083	10.5
71.04996	16.4
71.08618	9.4
71.21674	3.3
73.02912	3.9
79.05502	47.0
81.03417	7.1
81.07056	77.3
83.04971	25.2
83.08614	20.7
85.02879	8.0
85.06522	9.1
91.05478	47.8
93.07041	48.3
95.04955	24.0
95.08601	79.7
97.06527	23.4
97.10172	6.1
98.97586	11.2
99.04438	8.0
99.08089	6.0
101.02378	5.1
105.07021	45.9
107.04952	5.8
107.08582	26.6
108.08890	3.3
109.06509	22.8
109.10161	39.0
111.04456	31.3
111.08060	12.5
113.06022	3.8
116.98620	17.2
117.07036	3.8
119.08588	32.7
121.06496	3.9
121.10162	19.4
123.08039	7.6
123.11718	9.8
125.05982	16.3
125.09600	4.3
129.05467	12.3
129.06938	9.0
131.08578	11.6
133.06448	5.2
133.10121	30.3
134.99640	14.1
135.08014	5.1
135.11696	7.5
137.05977	8.8
137.09563	3.6
137.13242	6.5
139.07602	3.5
145.10114	6.9
147.11664	25.0
149.02347	3.6
149.09651	12.5
149.13292	3.8
151.02771	3.5
151.07562	5.9
151.11163	10.6
153.00711	5.1
155.10632	7.6
157.10109	11.4
165.07094	4.0
165.12764	10.1
171.11684	6.8
175.11194	7.5
183.13831	67.4
193.12263	7.7
197.09592	4.0
203.05957	5.4
207.13707	4.8
210.92172	6.8
211.11397	3.9
211.13268	100.0
229.63766	3.4
234.92163	12.4
239.14240	5.2
239.16461	5.9
241.07454	4.4
245.18941	5.6
247.54645	3.5
252.93330	6.8
258.99756	6.3
263.17432	4.6
263.20108	39.8
263.22867	4.3
277.00766	24.2
281.21234	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	281.211
Annotation	Restrictinol
Peak:m/z	Relative Intensity
53.03942	4.9
55.01606	1.8
55.01873	30.5
55.05511	29.4
57.03167	1.8
57.03439	29.7
57.07061	3.4
59.04989	2.0
59.09018	1.3
65.03934	4.1
67.05505	97.9
69.03421	5.3
69.07067	27.7
71.04990	14.3
73.02905	1.7
73.06541	3.1
74.42971	1.5
79.05025	2.3
79.05492	59.1
81.03436	8.1
81.07057	76.5
83.04506	2.4
83.04980	38.8
83.08624	13.4
85.02901	6.9
85.06548	9.8
89.84164	1.3
91.04912	3.1
91.05482	64.8
93.07043	65.1
95.04967	34.1
95.08607	61.2
97.06544	17.8
97.10162	4.3
99.04459	5.4
99.08080	2.3
101.02393	1.9
105.07035	50.5
107.04934	6.6
107.08591	23.4
109.06526	13.7
109.10161	26.7
111.04440	45.8
111.08067	15.6
113.06019	1.9
115.05470	2.9
117.07010	6.0
119.08581	34.8
121.06467	2.1
121.10139	18.4
123.08084	7.0
123.11682	6.2
125.05988	13.5
125.09596	3.5
127.07586	1.6
128.06227	3.1
129.05504	10.2
129.06992	12.2
131.08574	12.1
133.06503	4.3
133.10132	28.0
135.08073	2.4
135.11726	3.9
137.05959	9.1
137.09601	3.5
137.13268	5.0
139.07527	2.4
143.08545	5.8
145.06517	1.9
145.10120	6.5
147.08046	4.8
147.11690	27.2
149.09607	3.7
149.13251	1.7
151.07530	5.9
151.11159	8.9
153.09114	2.2
157.10141	9.1
161.09612	2.0
161.13268	6.1
161.93629	1.6
163.11255	1.9
165.09218	1.4
165.12767	10.5
171.11661	11.1
173.11761	3.9
175.11224	8.4
181.12225	3.2
183.13809	79.1
189.12700	3.8
193.12253	8.1
196.27541	1.5
207.13802	5.9
211.13284	100.0
217.07570	2.5
221.15382	3.7
239.16354	2.5
240.30421	1.3
245.18872	1.9
259.08350	2.9
263.20074	31.8
277.09460	1.7
281.17657	11.1
281.21130	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	281.211
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
53.03949	4.9
55.01870	6.0
55.05515	20.0
56.96560	2.7
57.03420	3.2
57.06802	1.8
57.07075	33.8
61.73418	1.0
65.03930	2.6
67.05508	34.4
69.03426	2.4
69.07069	21.2
70.24876	4.3
71.04984	5.5
71.08642	2.2
79.05495	25.7
81.03419	17.3
81.07057	30.3
83.04984	11.1
83.08625	5.5
85.06545	20.3
89.03999	1.0
90.22340	1.0
91.05481	16.5
93.07047	28.2
95.04964	14.8
95.08611	47.0
97.06535	7.3
97.10163	7.0
98.21471	1.0
98.97574	2.6
103.05441	4.6
104.10787	1.2
105.07034	15.7
107.04948	4.1
107.08600	12.7
109.06547	5.1
109.10163	11.7
111.04414	1.8
111.08117	1.3
113.09644	2.8
115.05473	3.3
116.98635	3.7
117.03389	1.4
117.07029	3.5
119.08580	11.6
121.06475	1.6
121.10145	12.8
123.08062	17.4
123.11728	4.0
125.09629	3.5
128.06210	2.8
128.68434	1.0
129.07001	2.8
131.04962	2.6
131.08572	3.6
131.77310	1.0
133.02869	2.0
133.10121	7.6
134.99641	2.4
135.08041	2.9
135.11700	4.6
137.09619	26.8
139.11176	4.4
141.07007	3.2
143.04935	1.9
143.08557	1.9
145.06416	1.0
145.10133	3.6
147.04431	1.4
147.08002	1.7
147.11725	4.3
149.09673	1.9
149.13277	1.4
151.11176	2.4
153.00739	1.4
153.07027	1.0
154.07724	1.3
155.04918	1.8
155.08539	1.1
156.05711	2.3
157.06496	1.7
157.10162	1.5
159.04405	8.8
159.11682	1.9
161.09625	1.1
161.13248	4.6
163.11172	4.0
165.07008	1.7
165.12816	1.1
168.05663	1.1
169.06537	1.3
171.08174	1.1
171.11674	2.4
178.07886	1.4
179.14305	5.2
183.04427	3.3
184.05223	9.8
184.06842	1.3
185.05931	1.7
185.13185	1.7
192.91081	1.1
197.05954	1.7
199.03906	3.6
203.12830	1.5
210.92244	1.6
211.07579	2.3
212.04713	1.7
213.05438	3.4
217.19632	1.3
221.15350	3.1
225.05499	4.5
227.17926	2.0
234.92203	1.7
235.11224	1.0
235.20590	2.9
235.92120	1.0
245.19038	1.1
252.93315	1.7
263.20074	73.5
277.00766	4.0
278.75644	1.0
281.11746	17.9
281.21155	100.0
282.21432	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
53.20056	1.8
55.01875	9.3
55.05511	19.7
56.96571	8.8
56.96798	1.9
57.03437	9.6
57.07072	8.6
60.68526	1.7
67.05506	57.9
69.03423	6.3
69.07071	18.8
71.05000	9.8
71.08259	2.3
71.08633	43.8
72.42882	1.8
77.00902	1.6
79.05499	23.8
81.03422	3.8
81.07059	41.5
83.04973	10.9
83.08613	12.7
85.02911	2.9
85.06542	4.8
91.05470	19.4
93.07039	26.6
95.04965	13.8
95.08607	100.0
97.02802	2.0
97.06515	10.9
97.10142	3.0
97.56736	1.7
98.97581	6.8
99.07509	3.3
99.08094	40.8
105.07043	19.5
107.04954	1.9
107.08575	11.9
109.06487	6.3
109.10173	14.6
111.04435	10.8
111.08086	6.8
115.05485	1.9
116.98608	5.4
117.06999	3.7
119.08607	12.4
121.10128	11.9
123.08064	6.1
123.11684	4.9
125.05997	3.6
125.09608	4.0
127.11211	2.2
128.06236	1.6
129.05444	3.3
129.06961	3.1
131.00116	2.1
131.08554	9.2
131.35127	1.8
133.06453	3.5
133.10156	10.9
134.99631	4.6
135.08054	2.0
135.11697	5.0
137.06000	2.3
137.09613	4.9
137.13245	2.6
141.09058	3.0
143.08614	3.1
145.06523	2.3
145.10147	3.6
147.08055	5.6
147.11696	11.9
149.09645	5.3
151.11169	12.1
153.00696	3.1
153.06990	3.0
155.08551	5.6
156.09357	1.8
157.10130	6.4
159.08072	4.2
159.10194	11.2
161.01181	2.1
161.09615	7.9
161.13121	1.9
163.11105	2.3
165.06966	3.4
165.09056	2.3
165.12741	7.4
166.07773	1.9
167.08495	2.0
168.09361	2.5
169.10138	4.4
171.07991	2.7
171.11650	2.8
173.09631	7.5
175.11250	3.4
181.06448	3.4
181.10078	3.9
182.07294	2.4
182.10895	7.7
183.08015	6.2
183.11644	1.7
183.12297	2.5
183.13808	20.4
184.08818	4.3
185.09671	7.0
187.11166	5.6
193.10271	2.0
193.12248	3.6
195.07993	3.6
195.11784	3.6
196.08710	2.0
196.12567	2.2
197.09601	14.8
197.13240	6.3
199.11182	21.3
207.13829	2.2
209.09537	2.1
209.73900	2.0
210.10493	2.0
210.92163	2.4
211.11159	17.0
211.13287	24.3
222.10435	1.9
223.11099	3.3
224.11978	1.8
225.12747	32.8
227.18111	2.9
233.13312	1.9
234.92107	2.7
237.12741	2.7
238.13480	7.4
239.14285	22.3
245.19051	4.4
251.14233	3.1
252.15167	2.6
263.17572	2.8
263.20105	29.4
263.22845	3.0
263.23819	1.7
266.16617	2.4
277.00815	9.4
281.18961	66.0
281.21268	24.1
282.19394	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	281.2111
Annotation	Restrictinol
Peak:m/z	Relative Intensity
51.13986	1.6
53.03938	4.6
53.61573	1.5
55.01868	23.4
55.05512	29.0
56.96558	5.2
57.03435	18.0
57.07073	5.8
59.04997	4.2
64.05677	1.8
65.03919	3.0
67.05507	79.2
69.03426	4.4
69.07069	26.1
69.44266	5.8
69.44688	8.7
71.04984	13.5
71.08630	13.9
79.05491	33.9
81.03420	7.0
81.07053	56.4
81.07536	2.6
83.04991	24.3
83.08624	15.5
85.02895	7.9
85.06557	10.4
91.05481	36.3
93.07050	50.1
95.04969	23.5
95.08607	100.0
97.06522	16.1
97.10161	4.0
98.21478	4.1
98.97584	7.1
99.04468	4.7
99.08075	13.6
101.02374	4.7
105.07031	29.4
107.04960	4.3
107.08598	18.4
109.02859	1.7
109.06520	10.6
109.10162	22.7
111.04445	32.1
111.08089	10.5
113.06042	2.9
114.64329	1.7
116.98640	7.3
117.07020	4.6
119.08587	22.7
121.10150	12.6
123.08054	8.2
123.11716	5.9
125.06009	8.2
125.09663	2.3
129.05484	12.6
129.06995	7.6
131.08585	7.9
133.10130	20.8
134.99657	6.3
135.08080	3.8
135.11681	3.9
137.05965	9.9
137.09630	2.4
137.13257	4.0
139.07515	2.9
140.82320	1.7
142.07744	2.6
143.08560	2.5
145.10187	2.3
147.11673	18.1
149.09647	10.3
151.07466	3.3
151.11168	10.9
155.10628	1.9
157.10149	11.2
159.10147	7.1
161.13266	3.1
165.12724	11.3
167.10652	2.4
171.11737	2.2
173.11743	5.6
175.11179	7.2
181.12296	2.0
183.13817	60.2
193.12257	7.6
207.13786	2.7
210.92226	3.2
211.13280	84.2
212.13670	1.8
221.15404	2.9
225.12852	1.7
234.92252	3.7
245.19046	3.8
263.17484	2.8
263.20129	33.4
277.00897	7.9
281.18884	3.9
281.21161	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	281.2111
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
52.27371	4.5
53.03938	7.4
55.05507	45.2
56.96556	23.2
57.06800	6.1
57.07074	83.5
57.62570	5.1
67.05505	69.2
67.51093	5.6
68.05827	6.2
69.03423	5.5
69.07066	48.8
69.84230	10.2
69.84644	18.5
71.04992	11.5
71.08621	18.2
74.01443	5.1
77.72206	5.2
79.05511	48.6
81.03413	13.3
81.07052	72.9
83.04967	19.8
83.08631	31.4
84.70853	4.7
85.06535	38.5
91.05477	33.4
93.07043	48.4
94.07368	5.8
95.04966	13.5
95.08611	99.7
96.08982	5.8
97.06528	14.4
97.10133	17.6
98.21496	6.0
98.97571	16.6
99.08065	14.8
100.07643	5.2
105.07071	28.9
107.08595	33.2
109.06520	9.6
109.10155	27.7
111.08092	7.6
111.11688	6.0
113.09636	6.7
116.98605	18.8
117.06997	10.4
119.08566	18.6
121.10165	30.6
121.10939	4.6
123.08018	10.1
123.11700	6.2
129.07036	11.3
131.08540	11.6
133.06511	7.2
133.10132	25.8
134.99644	20.8
135.11681	14.7
137.09589	29.0
143.08548	12.7
145.06470	18.4
145.10109	13.6
147.11720	14.2
155.08580	12.0
159.11806	5.5
161.13338	12.3
163.11136	7.7
169.10045	7.9
173.09604	15.3
173.13264	5.2
175.11195	7.0
177.12735	5.5
179.08601	5.9
179.10701	18.6
179.14305	96.3
181.10146	7.5
183.08060	14.6
183.11671	9.9
185.13240	7.4
187.11180	9.9
192.91223	6.4
197.09570	8.6
207.13660	8.0
210.46814	5.3
210.92221	9.5
211.11189	13.8
211.14876	9.7
224.11896	6.3
225.12706	18.8
225.16367	6.8
227.17848	6.3
234.92125	9.2
237.09708	6.6
239.14328	17.1
246.22899	13.9
252.93187	6.1
253.15811	7.2
253.19429	7.2
258.99683	8.1
263.20157	38.8
264.23990	8.3
277.00812	37.5
281.19009	100.0
281.22363	16.4
281.26706	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	281.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01858	0.3
55.05508	4.5
56.96554	1.4
57.03434	0.3
57.07072	2.4
62.40442	0.3
65.03934	0.5
67.05505	6.0
69.03421	0.3
69.07066	9.5
71.08617	0.9
71.50098	0.4
72.00490	0.3
77.03937	0.3
79.05489	4.1
79.22098	0.2
81.03426	0.4
81.07052	9.7
83.04974	0.3
83.08617	3.2
85.06533	0.3
91.05475	5.4
93.07040	5.2
95.04951	0.7
95.08605	9.6
97.06543	0.4
97.10150	1.4
98.06434	0.3
98.97563	0.9
99.08037	0.3
103.05455	0.5
105.03404	0.3
105.07030	14.6
107.04916	0.5
107.07894	0.5
107.08582	6.8
109.06528	0.5
109.10155	6.1
111.04426	0.7
111.11680	0.3
115.05451	0.9
116.98625	1.1
117.07016	3.1
119.08577	15.0
121.10144	4.2
123.08035	0.5
123.11702	3.7
125.09621	0.3
128.06221	3.4
129.07001	4.9
130.07782	0.6
131.04858	0.3
131.08568	10.1
133.10129	4.2
134.99677	0.7
135.11732	1.3
137.09651	0.3
137.13261	1.7
139.11128	0.7
141.06984	7.2
142.07776	5.4
142.08838	0.5
143.08554	17.1
144.09366	1.8
145.06497	0.5
145.10118	8.8
147.11707	1.7
149.01233	0.4
149.13289	2.1
153.06990	2.1
154.07762	3.8
155.08549	15.7
156.09351	5.3
157.06540	0.3
157.10124	12.2
158.10924	0.5
159.04472	0.5
159.08066	0.4
159.11705	4.9
161.13298	1.0
163.14809	1.8
165.06993	0.8
166.07524	0.3
167.08560	2.8
168.09343	8.2
169.10120	15.3
170.10870	1.7
171.11673	6.6
173.13235	2.2
175.11096	0.3
175.14815	1.0
177.00696	0.6
179.08563	0.4
180.09375	0.5
181.10114	5.2
182.10912	4.7
183.04401	0.3
183.11681	11.4
184.05196	1.6
184.12456	0.8
185.13258	3.9
187.14810	0.9
189.12727	0.3
189.16415	0.3
193.10097	0.3
194.10847	0.4
195.11676	7.8
196.12428	2.6
197.13255	10.7
198.13835	0.8
199.03897	0.3
199.14828	3.1
201.16301	0.3
209.13283	1.9
210.13959	1.7
211.14841	6.8
212.04697	1.2
213.05559	0.3
213.16386	0.9
215.14299	0.4
223.14847	3.4
224.15572	0.6
225.05490	0.3
225.16382	8.6
226.16632	0.4
237.16370	0.8
238.17148	5.0
239.07108	0.4
239.17897	4.4
241.07430	0.5
251.17986	1.0
253.19493	0.9
259.08487	1.0
263.20221	0.3
266.20294	10.9
267.20746	0.6
269.62363	0.3
277.00531	0.3
277.09470	0.4
281.11902	1.6
281.22623	100.0
282.22958	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	282.1196
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01865	0.7
55.05508	0.4
56.96561	0.9
57.03421	1.0
58.02027	0.2
59.04992	0.8
61.02919	0.4
67.05498	0.7
69.03432	2.3
69.07083	0.4
70.06599	0.3
71.16148	0.6
72.02718	0.2
72.08143	0.4
73.06577	0.3
78.90617	0.3
81.04530	0.5
82.04861	0.5
82.05331	0.5
83.05643	0.4
84.08133	0.8
85.02909	2.1
85.06533	0.3
86.03236	0.3
87.04480	2.6
94.04060	0.4
97.02885	1.0
98.97568	0.6
101.06010	0.6
116.98638	0.8
119.03574	0.9
120.08093	0.9
122.07174	0.9
123.07967	3.5
124.08307	2.8
124.99115	0.3
127.03988	0.4
134.99646	0.6
136.06184	100.0
137.04546	1.3
137.06606	0.4
145.04982	0.3
147.06557	0.4
152.05695	0.3
164.07115	0.4
166.08620	0.7
177.00645	0.3
184.04971	0.4
196.09708	1.5
282.10873	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	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.4
55.01867	1.9
57.03435	3.7
59.28315	1.5
61.02919	6.9
69.03432	15.6
69.64233	2.6
69.64645	8.4
71.04995	2.8
73.02904	2.9
81.03411	6.7
85.02906	100.0
85.06546	20.5
87.04457	3.0
87.84951	1.6
88.06474	1.5
91.03963	7.7
97.02892	22.8
98.11147	1.7
99.04438	6.0
109.02872	5.8
127.03924	23.8
145.03809	2.4
145.04961	49.7
162.84625	1.5
163.06024	13.2
229.10759	5.1
272.39761	1.9
277.43463	2.2
295.98322	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	282.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05494	0.6
56.96558	0.7
57.03430	1.1
57.07069	0.5
61.02917	0.4
65.03953	0.2
67.05487	0.3
68.49293	0.2
69.03432	0.6
69.07072	4.2
70.95835	0.8
71.05003	0.4
72.08148	0.3
73.06541	0.3
76.21857	0.3
79.05474	0.5
81.07040	0.5
82.42162	0.3
84.08156	0.6
85.02905	0.6
87.03940	0.6
87.04465	8.5
91.05486	0.4
93.07033	0.4
93.97816	0.3
94.04037	1.1
95.08603	0.5
97.06528	2.2
99.05798	0.2
105.36790	0.3
109.10152	0.3
116.98594	0.5
119.03539	1.7
120.08100	1.0
121.08456	0.4
127.03940	0.3
129.09151	0.6
136.06184	100.0
137.04601	1.6
137.06653	1.4
150.07750	11.9
164.07051	3.2
165.07849	0.3
166.04985	0.5
166.08647	3.3
167.06976	0.3
171.63734	0.3
177.00760	0.4
192.26474	0.3
196.09692	8.1
196.11516	0.4
225.61066	0.3
250.13000	23.5
251.13358	0.4
252.12256	0.3
268.78015	0.3
282.13275	7.4
282.15637	46.4
283.16138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1699
Annotation	Naramycin B
Peak:m/z	Relative Intensity
53.03952	2.9
55.01862	4.3
55.05512	16.0
56.05047	7.9
56.96554	7.2
57.03430	5.7
60.04528	12.8
65.03934	3.0
67.05503	32.6
67.49656	1.4
68.05011	4.3
69.03418	3.2
69.07063	9.4
70.06585	2.8
70.81238	2.2
70.81567	3.1
71.01339	1.6
71.04981	4.6
72.61835	1.5
79.05488	23.7
80.05023	23.1
81.03416	25.8
81.07059	28.7
82.06575	3.9
83.04985	5.0
83.08609	6.5
84.04489	14.8
85.02885	2.5
85.06525	1.7
91.05476	18.6
92.05013	4.3
93.05801	9.2
93.07034	17.8
94.06567	14.0
95.04972	16.8
95.08596	15.8
96.04482	7.1
96.08135	1.6
97.02885	1.9
97.06518	5.8
97.10173	2.6
98.06061	3.4
98.97569	4.8
105.06342	1.3
105.07024	8.2
106.06560	17.4
107.04948	12.3
107.07333	1.7
107.08599	10.6
108.04461	1.9
109.06492	4.3
109.10138	5.9
110.06055	9.0
111.04419	1.8
116.98629	3.9
117.07014	10.7
118.06535	2.5
119.08561	6.3
120.08099	8.4
121.06490	5.3
121.10126	4.6
122.05995	2.9
123.08032	4.1
124.07625	1.5
124.11217	2.7
125.09642	1.8
129.06964	2.5
130.06520	2.0
131.08563	12.3
133.10109	4.4
134.09663	4.0
134.99654	4.8
135.08023	3.7
135.11687	5.8
137.09630	3.8
140.10719	2.7
141.06952	3.8
143.08539	3.1
145.06453	1.9
145.10120	10.5
149.09595	3.0
149.13264	2.0
153.12747	2.0
159.11693	11.8
161.09589	4.0
163.11186	6.6
166.15947	1.9
169.10124	5.2
176.14362	16.6
177.12747	5.2
181.12245	3.4
186.12785	4.0
187.11185	5.7
194.15370	8.3
204.13832	57.6
205.12326	8.3
205.13957	2.2
207.01393	1.6
208.13316	6.2
209.11772	4.6
222.14880	65.6
223.13274	21.1
223.15285	3.0
226.14397	10.2
226.16330	1.8
227.12706	4.6
236.16551	2.6
240.15959	34.8
246.14879	2.3
264.15955	11.6
277.00864	3.4
282.17014	100.0
282.22137	4.1
283.15369	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	282.2788
Annotation	Dodemorph
Peak:m/z	Relative Intensity
54.44508	0.2
55.01863	0.3
55.05511	1.8
56.41314	0.2
56.96555	0.5
57.03420	0.2
57.07073	6.6
65.42484	0.2
67.05503	1.8
68.05824	0.7
69.07066	1.9
70.06579	0.2
71.04980	0.2
71.08258	0.2
71.08630	3.7
79.05482	0.6
81.07047	1.7
82.07399	0.9
82.07810	0.2
83.08606	1.3
85.05354	0.3
85.10186	1.6
91.05470	0.4
93.07024	0.8
95.04967	0.3
95.08598	1.9
96.08946	1.2
97.06511	0.2
97.09248	0.2
97.10188	0.9
98.06073	0.6
98.97572	0.7
100.08387	0.3
104.82704	0.2
105.07027	0.4
107.08581	0.4
109.10136	0.5
111.11681	0.3
116.98615	0.8
119.08537	0.5
120.71394	0.2
121.10122	0.5
122.10542	0.2
123.08001	0.2
123.11707	0.2
133.10101	0.4
134.47545	0.2
134.99655	1.0
135.11653	0.2
143.08534	0.2
145.10106	0.4
153.00703	0.3
154.94196	0.4
157.10019	0.3
163.11145	0.3
163.97667	0.2
172.95245	1.4
173.09634	0.2
190.96300	1.4
226.13185	0.2
227.12782	0.4
228.97845	0.8
246.98940	1.0
277.00735	0.8
282.27887	100.0
283.15411	0.4
283.20569	0.2
283.23743	0.3
283.24847	0.2
283.28232	2.8
300.02304	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	283.1519
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.89273	0.6
53.03946	1.0
55.01868	3.5
55.05519	6.5
57.03436	5.8
59.25851	0.7
65.67847	0.7
67.05496	5.5
69.07062	2.3
69.44712	3.3
69.45138	2.2
71.04974	1.0
79.05494	8.6
81.03425	3.7
81.07062	7.8
83.01325	1.3
83.05006	5.4
83.08632	4.7
85.06539	0.9
91.05486	4.6
93.07045	11.9
95.04974	2.6
95.08604	8.8
97.06524	2.7
99.04449	2.0
105.07029	2.5
107.04951	2.8
107.08593	9.3
109.06533	1.0
109.10165	1.6
111.04454	3.3
117.07020	3.3
119.08620	3.4
121.06498	1.3
121.10164	3.9
123.08038	1.0
131.08572	1.5
133.10115	1.0
135.08023	0.8
135.11694	12.9
145.10139	8.9
153.12738	3.4
163.11186	17.9
181.12251	6.6
191.10667	1.6
209.11768	2.1
227.12791	23.6
233.11539	4.0
233.49710	0.7
245.22638	0.8
251.11226	1.7
265.14172	0.9
269.12360	9.5
283.15204	100.0
284.15607	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	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.30396	1.8
51.85979	1.9
53.03932	5.8
55.01647	2.6
55.01876	37.6
55.05515	52.0
56.38396	2.3
56.96546	4.0
57.03435	42.6
57.07065	7.2
57.07320	2.3
59.05008	5.0
65.03925	2.4
67.05509	43.7
69.03420	7.7
69.07070	21.4
69.90157	1.9
70.30814	8.6
71.01345	6.6
71.04982	8.8
72.42171	2.0
79.05495	61.3
81.03421	32.8
81.07058	45.2
81.07478	1.5
83.01350	21.3
83.04508	4.3
83.04984	59.6
83.08618	24.0
84.08131	4.2
85.02886	12.1
85.06545	4.8
91.05478	32.2
91.53546	2.2
93.07047	68.3
95.04963	19.7
95.08610	27.4
97.02900	14.3
97.06535	24.5
97.10139	4.0
98.97619	2.2
99.04444	9.0
103.05460	2.9
105.07030	18.1
107.04967	29.3
107.08601	35.4
108.32870	2.2
109.06533	10.4
109.10130	10.4
111.04445	30.4
111.08095	11.0
116.98566	2.0
117.07018	20.0
119.08590	21.2
121.06499	8.8
121.10146	23.2
123.04420	2.8
123.08035	13.9
125.05978	5.0
125.09605	4.2
126.52203	1.8
129.07065	4.6
130.07751	3.4
131.04965	2.9
131.08575	11.0
133.10101	5.6
135.08044	4.5
135.11688	44.4
137.06001	3.9
137.09586	2.9
139.07568	2.7
143.08533	2.9
145.06461	4.0
145.10127	36.2
147.08017	6.2
149.09596	5.9
153.12741	57.9
155.08517	3.1
163.11185	70.5
173.09647	14.5
181.12227	38.0
191.10674	20.6
199.13266	2.8
201.10233	2.8
209.08189	2.8
209.11726	28.7
227.12766	42.2
238.14261	2.4
251.09055	2.5
254.06268	2.3
272.07159	2.4
283.15402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03933	5.3
55.01873	40.7
55.05512	45.1
56.96545	2.5
57.03437	44.3
57.07059	5.4
59.04999	7.1
65.03944	1.6
67.05507	42.6
69.03420	5.2
69.07072	17.7
70.62843	3.3
70.63185	2.5
71.01346	3.1
71.05003	11.9
71.08649	2.6
76.78751	1.5
79.05495	51.0
80.05811	1.9
81.03419	18.4
81.07059	46.9
83.01342	18.9
83.04983	69.0
83.08170	1.9
83.08626	25.8
85.02898	7.6
85.06535	4.1
89.06017	1.9
91.05487	25.4
92.05812	1.4
93.07047	67.7
95.04971	16.0
95.08604	33.5
97.02905	7.2
97.06537	25.4
97.10175	5.1
98.97580	3.9
99.04466	8.0
99.08089	2.4
103.05477	2.0
105.04517	1.8
105.07036	17.9
107.04957	21.1
107.08598	40.5
109.02834	1.9
109.06522	9.2
109.10153	14.1
111.04441	29.3
111.08087	10.9
113.05989	1.7
117.07025	15.0
119.08591	20.0
121.06501	8.1
121.10142	24.4
123.04394	1.8
123.08074	12.2
123.11710	2.7
125.05981	4.8
125.09647	4.2
128.06194	2.0
129.05502	1.6
129.07008	4.3
130.07767	3.3
131.04913	1.9
131.08546	7.7
133.10143	5.3
135.08029	4.6
135.11690	52.4
137.05913	1.5
137.09662	2.3
139.03831	1.7
143.08545	3.1
145.06514	1.6
145.09076	2.7
145.10130	33.0
147.08014	5.4
147.11667	3.6
149.05992	1.7
149.09619	3.1
153.12747	76.1
155.08559	3.2
157.10118	2.0
163.11182	66.4
164.11462	1.8
165.05450	2.3
165.06891	1.9
165.09117	1.7
167.08539	1.7
171.11569	1.7
173.09634	12.7
177.00761	2.1
181.12236	45.2
191.10649	18.8
209.11745	19.0
225.16618	1.5
227.10579	3.0
227.12775	50.2
241.08699	2.3
265.16241	3.7
283.09753	5.2
283.15402	100.0
283.20575	5.7
284.15753	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01875	6.5
55.05519	13.4
56.03589	1.3
57.03441	16.1
57.07070	2.9
67.05507	21.9
69.03433	1.4
69.07065	9.1
70.02960	2.6
70.03335	4.6
71.04983	4.7
71.48162	1.3
73.02920	1.5
74.63799	1.1
79.05500	30.7
81.03419	4.7
81.07060	22.8
83.01325	2.0
83.04983	9.8
83.08615	11.6
91.05471	13.1
93.07045	42.8
95.04978	10.2
95.08607	38.5
97.02905	6.7
97.06538	5.5
97.10156	1.4
99.04468	5.5
105.07022	10.3
107.04959	12.2
107.08598	31.5
109.06525	3.5
109.10120	3.4
109.34617	1.1
111.04436	2.7
111.08108	1.8
117.07011	10.7
119.08566	11.6
121.06520	7.1
121.10140	13.3
125.05997	3.3
130.07785	1.8
131.08542	1.9
133.10120	4.0
135.08017	3.5
135.11693	52.0
136.36769	1.3
139.07487	2.0
145.10124	29.1
153.12704	2.6
155.08481	1.4
163.11185	77.8
164.11444	1.4
172.95250	1.8
173.09636	3.6
181.12260	17.4
191.10721	2.8
209.11688	3.2
215.00879	1.3
225.70558	1.5
227.12778	100.0
228.13043	1.3
236.38979	1.1
265.21680	1.5
283.15378	26.6
283.20517	2.3
283.23914	1.6
288.54327	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99928	1.1
53.03961	2.4
55.01871	4.2
55.05508	13.8
57.03440	12.1
57.07092	1.3
67.05508	22.5
67.05856	1.7
69.03433	2.0
69.07063	8.4
69.57047	2.5
69.57462	5.9
71.05003	3.5
73.02929	1.3
79.05497	28.8
81.03441	3.7
81.07054	21.4
81.07479	1.7
83.01360	1.5
83.04975	7.6
83.08624	9.3
91.05481	11.4
93.07047	38.5
95.04968	10.0
95.08611	37.9
95.09187	2.0
97.02895	5.1
97.06557	4.4
97.10168	1.8
98.21568	1.2
99.04483	5.6
105.07043	9.4
107.04959	10.1
107.05580	1.3
107.08602	29.2
107.09311	1.8
109.06529	2.5
109.10194	3.9
111.04470	3.0
111.08099	2.5
117.07016	11.6
117.07631	1.0
119.08578	9.9
121.06548	6.4
121.10139	12.7
121.10806	1.0
123.08083	1.5
125.06029	2.6
129.07140	1.2
130.07797	2.9
131.08589	1.3
133.10165	3.4
135.08072	2.2
135.11696	45.5
139.07516	1.5
140.34973	1.0
143.08531	2.0
145.06569	1.1
145.10130	28.0
153.12802	2.5
153.33646	0.9
155.08643	1.2
157.73874	1.2
161.13187	1.0
163.11182	63.8
164.11522	1.5
173.09547	1.5
181.10593	1.8
181.12210	15.5
181.13696	1.0
191.10739	2.3
209.11790	3.0
221.51546	1.3
227.12788	100.0
228.13205	1.5
283.15390	25.0
283.18140	1.6
283.20590	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	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03931	10.2
55.01640	3.6
55.01872	42.0
55.05510	82.0
55.24205	3.1
57.03440	69.9
57.07054	5.4
58.36099	2.8
59.04982	8.8
65.03944	2.7
67.05499	44.8
67.50699	2.9
69.03429	5.2
69.07079	16.0
70.88239	2.9
71.01347	2.9
71.05003	14.0
71.05332	2.4
71.41866	6.7
79.05494	72.1
80.75563	2.8
81.03424	34.0
81.07058	63.0
83.01343	42.4
83.04984	52.0
83.08625	42.9
85.02895	11.4
85.06538	2.7
91.05474	45.1
93.07047	87.0
95.04966	24.5
95.08614	30.9
97.02853	6.5
97.06524	18.3
97.10131	6.2
99.04441	8.8
103.05415	2.8
105.07037	29.5
107.04955	26.3
107.08590	48.4
109.06510	27.3
109.10160	6.0
111.04433	11.7
111.08093	6.2
117.07012	23.5
119.08588	24.7
120.97872	2.6
121.06499	14.5
121.10127	30.8
123.08083	26.1
125.05997	8.2
125.09612	3.3
129.07025	3.6
130.07765	4.0
131.08548	12.1
133.10181	4.6
135.08028	7.1
135.11688	55.0
137.09657	4.9
143.08543	3.3
145.10124	59.9
147.08047	8.5
153.12706	12.3
155.08505	8.5
163.11182	100.0
173.09607	11.5
181.12222	19.8
191.10622	13.1
209.11732	31.9
227.12767	26.4
250.81903	3.0
280.19754	3.2
283.15399	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01871	5.7
55.05514	15.0
57.03438	15.1
57.07065	1.0
65.03941	1.2
67.05503	19.6
69.03429	2.7
69.07066	7.5
71.04990	4.5
71.08912	2.4
73.02929	1.2
75.21584	0.9
77.24917	0.8
79.05493	30.6
81.03433	6.0
81.07055	22.1
83.04983	6.1
83.08622	10.2
89.18267	0.9
90.51705	1.0
91.05488	10.2
93.07043	43.5
95.04967	8.9
95.05524	1.3
95.08002	2.1
95.08607	41.8
97.02900	4.1
97.06539	5.4
97.10152	1.0
99.04456	4.6
103.05458	1.9
105.07032	10.1
107.04960	14.8
107.08596	31.0
109.06516	2.0
109.10149	3.9
111.04425	5.1
111.08058	2.1
117.07012	12.2
119.08574	12.0
121.06483	5.9
121.09303	0.7
121.10141	16.5
121.10960	1.4
123.08089	1.4
125.05988	3.9
125.33718	0.9
129.07039	1.4
130.07773	3.4
131.08583	1.8
133.10182	2.7
135.08067	3.3
135.11690	49.4
143.08539	2.2
145.10117	29.6
147.08014	1.0
149.09688	1.3
153.12730	5.0
155.08582	1.9
163.11180	75.4
164.11528	1.6
173.09651	1.8
181.12215	19.9
181.13702	1.1
191.10661	2.6
209.11717	4.6
211.11305	0.9
227.12778	100.0
228.13188	2.3
234.38335	0.9
262.08893	1.1
283.06418	5.5
283.09283	1.6
283.15393	29.5
283.20386	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01875	38.2
55.05508	66.6
56.42799	3.2
56.96567	17.3
57.03434	45.3
57.07067	11.1
59.04995	10.8
64.32304	3.1
65.03942	4.2
67.05502	66.8
69.03432	7.8
69.07065	36.0
69.36207	24.1
71.01334	11.8
71.04979	14.5
71.08627	12.9
76.12715	3.0
77.03909	3.4
79.05492	85.1
80.94782	2.7
81.03415	48.5
81.06603	5.8
81.07054	80.0
83.01330	23.7
83.04983	56.4
83.08622	37.7
85.02898	14.6
85.06536	9.5
89.06040	5.4
91.05470	44.4
93.07040	83.8
95.04970	24.9
95.08608	46.5
97.02894	40.1
97.06533	26.8
97.10160	16.9
98.20724	5.5
98.97572	4.1
99.04449	9.6
99.08088	5.3
103.05458	5.3
105.07030	31.1
107.04952	34.0
107.08591	54.8
109.06525	16.6
109.10139	11.9
110.25169	3.2
111.04422	28.6
111.08108	11.1
111.11707	4.8
115.05465	4.5
117.07001	22.0
119.04974	3.1
119.08575	29.3
121.06508	8.7
121.10139	38.6
123.08044	17.3
125.05994	6.1
125.09641	14.1
129.06996	11.1
130.07768	4.1
131.00203	3.6
131.08560	18.2
133.10143	13.0
134.99693	4.9
135.08066	8.0
135.11691	54.5
135.12621	4.8
137.09598	4.8
143.08582	6.5
145.06451	3.5
145.10115	49.8
147.08052	6.6
147.11690	6.5
149.01230	6.8
149.09654	8.0
149.13217	3.5
153.12743	38.7
155.08571	10.4
157.09952	4.9
159.11673	6.1
163.11183	94.3
171.11800	3.9
173.09596	16.9
180.07329	4.8
181.12238	29.8
183.11649	3.3
187.14651	3.2
191.10732	21.9
195.11688	5.8
197.13274	5.1
203.10150	3.4
209.11679	57.4
213.12570	2.9
223.14928	3.8
227.12733	40.9
260.08820	3.7
265.19345	3.8
265.21799	5.6
267.08856	7.5
274.75519	3.5
278.92023	3.1
283.10382	4.9
283.12537	5.6
283.15466	100.0
283.20929	14.4
284.12784	16.4
284.15576	3.8
285.09988	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01876	33.5
55.05513	49.9
56.96560	5.7
57.03167	2.3
57.03437	41.3
57.07076	10.0
59.04998	8.5
65.03951	1.6
67.05507	43.3
69.03419	5.4
69.07069	26.1
70.47404	5.0
71.01352	5.0
71.04993	11.8
71.08632	2.7
73.02943	1.6
74.00725	1.2
79.05496	53.7
79.53678	1.2
81.03422	23.4
81.07057	47.4
83.01344	19.7
83.04984	45.8
83.08624	28.7
85.02917	10.2
85.06541	4.9
89.06029	2.1
91.05479	33.6
93.07047	62.7
95.04970	19.8
95.08611	37.5
97.02891	10.2
97.06534	24.3
97.10173	9.0
98.97561	7.9
99.04460	5.9
102.30515	1.3
103.05463	3.0
105.04492	1.4
105.07040	24.1
106.06586	2.4
107.04953	19.2
107.08592	41.2
109.06521	11.9
109.10162	11.8
111.04444	24.7
111.08093	10.2
115.05471	1.9
116.98653	3.9
117.07023	15.5
119.08577	21.2
121.06493	7.2
121.10140	24.3
122.46846	1.3
123.04375	1.9
123.08076	13.4
123.11675	1.8
125.06001	5.6
125.09648	5.2
128.06245	1.9
129.05524	1.5
129.07016	3.7
131.04926	3.4
131.08589	9.9
133.10136	6.0
134.99661	1.7
135.08060	5.7
135.11696	44.9
137.09558	3.6
139.03906	1.4
139.07596	3.3
139.11160	2.0
143.08577	3.2
145.06470	3.6
145.10132	40.3
146.05997	2.7
147.08070	4.0
147.11731	3.8
147.92908	1.3
148.07535	1.6
149.09625	5.0
149.13249	3.0
151.11156	2.2
153.09161	1.8
153.12743	36.2
155.08583	2.6
156.09322	1.9
157.10123	1.4
158.99683	2.5
159.11771	2.2
161.09541	1.5
163.11180	61.5
165.09102	2.1
167.07050	1.6
167.08493	1.5
169.06516	1.9
173.09650	11.8
173.13277	1.6
177.00693	7.0
181.12251	25.4
183.11694	2.6
185.09586	2.1
185.13211	2.2
186.03162	1.3
191.10689	14.7
195.08032	1.8
197.13239	2.6
199.11241	2.2
209.11702	30.1
220.10400	7.2
227.10706	2.7
227.12752	31.4
227.14919	1.6
229.10971	2.7
241.08662	2.9
251.06924	1.9
260.09015	1.9
263.10333	2.3
274.09637	2.3
283.06277	6.2
283.09772	8.1
283.15433	100.0
283.20590	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	283.2057
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.03931	1.3
55.01872	5.1
55.05292	0.9
55.05512	11.7
56.96545	3.2
57.03446	5.8
57.07079	4.8
57.59154	0.7
58.20735	0.8
59.04990	1.1
67.05505	15.0
69.07067	10.3
71.01319	0.9
71.04981	2.3
71.08614	3.7
71.49469	0.9
71.49864	1.3
79.05497	10.6
81.03398	4.5
81.07055	13.3
82.26885	0.8
83.01328	1.0
83.04982	7.1
83.08616	8.9
85.02889	2.4
85.06537	0.9
91.05478	6.1
93.06524	0.8
93.07050	12.0
95.04965	2.4
95.08607	18.3
97.02895	2.2
97.06536	3.9
97.10164	1.9
98.97598	1.3
99.04443	1.2
99.08080	1.7
105.07027	7.8
107.04949	4.4
107.08613	8.5
109.06488	2.8
109.10156	10.0
110.96140	0.9
111.04424	4.4
111.08046	1.7
113.03273	0.8
115.05447	1.2
116.98585	2.4
117.06985	3.0
117.74762	0.8
119.08595	6.0
121.06471	2.5
121.10150	6.7
123.04437	1.2
123.08058	2.4
123.11739	1.0
125.09639	2.0
128.06161	1.8
129.06924	2.5
131.08600	3.9
133.06511	7.8
133.10130	4.2
134.99669	2.0
135.08061	4.5
135.11700	7.7
135.52280	0.9
141.06989	1.7
142.07782	1.3
143.08598	4.8
145.06439	3.4
145.10126	8.8
147.08040	4.4
147.11670	3.3
147.15869	0.8
149.05930	1.3
149.09613	5.5
153.12749	4.0
155.08537	2.5
157.06503	13.0
157.10088	4.1
158.07205	1.3
158.10674	0.8
159.08028	7.8
159.11668	3.1
161.09619	3.6
161.13251	1.0
163.11172	13.3
165.06949	1.2
166.07782	1.3
167.08562	3.2
169.06422	1.0
169.10069	2.0
170.07281	7.2
171.08044	20.3
171.11678	1.9
173.09625	5.7
173.13300	2.9
175.11188	11.1
179.08492	1.0
180.09348	0.9
181.10109	2.9
181.12198	4.2
183.08014	4.4
183.11684	1.1
184.08784	6.5
185.09615	63.4
185.13106	1.8
186.10033	1.5
187.11113	4.4
189.12741	7.8
191.10641	2.4
195.11816	2.1
197.09630	5.6
197.13272	2.6
198.10368	5.8
199.11183	39.5
199.14822	2.5
201.12758	19.3
208.12291	0.9
209.11696	3.0
209.13400	1.3
211.11148	3.0
211.14584	0.9
212.12001	1.9
213.09302	1.2
213.12750	14.8
215.14278	1.8
223.14735	3.3
225.12730	11.5
225.16251	1.3
226.13460	1.7
227.14459	18.9
229.07504	1.3
239.14284	3.1
240.15102	9.1
241.15887	33.8
242.16177	1.1
247.08522	2.0
253.15862	1.9
255.21024	1.8
265.19217	1.4
265.21649	5.1
268.18225	1.9
278.00970	2.4
279.00293	1.1
283.15836	8.2
283.20541	100.0
284.20981	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	283.2056
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.03931	1.1
55.01866	1.8
55.05289	1.4
55.05516	19.9
56.96539	1.2
57.03424	3.2
57.07066	4.5
67.05508	6.7
69.07072	18.6
71.08646	1.1
71.50088	1.4
79.05500	5.6
81.03387	1.4
81.07058	9.8
83.04964	3.8
83.08622	10.3
91.05463	4.6
93.07048	7.6
95.08630	8.0
97.06494	2.0
97.10170	9.9
105.07062	4.9
107.04953	2.9
107.08570	6.3
109.06525	1.6
109.10150	3.9
111.04476	1.6
111.11697	1.3
115.05471	1.7
117.07010	3.3
119.08573	3.4
121.06507	1.7
121.10165	3.3
123.08048	1.3
123.11688	3.1
125.05953	1.1
125.09660	1.1
128.06213	2.0
129.07008	3.6
131.04932	1.2
131.08562	5.0
133.06473	3.2
133.10144	3.4
135.11719	5.7
136.45454	1.2
141.06989	2.3
142.07773	2.1
143.08540	3.9
144.05690	3.2
145.06462	7.6
145.10141	5.4
147.08058	16.3
149.09741	1.2
153.12738	3.3
155.08574	2.6
156.09354	4.5
157.06487	7.6
157.10149	3.3
158.07249	7.6
159.08063	11.5
161.09564	4.9
163.11189	5.7
165.07034	1.2
167.08527	1.1
169.06425	2.4
169.10167	1.6
170.07294	2.2
171.08061	12.8
171.11713	3.2
172.08818	2.0
173.09631	20.5
173.13292	1.1
175.11163	5.3
181.10153	2.5
181.12247	1.7
183.08037	2.8
183.11661	1.4
184.08817	5.1
185.09608	21.6
185.13213	1.9
186.10243	1.1
187.11192	40.5
189.12740	2.5
191.14174	1.0
197.09599	1.6
197.13248	2.0
198.10402	3.6
199.11189	62.6
201.12729	13.6
209.11630	1.9
209.13416	2.0
212.11884	1.6
213.12746	26.1
213.16205	1.1
214.13182	1.0
215.14346	1.6
223.14682	1.1
225.12683	5.3
227.14484	16.4
229.07520	1.1
240.15074	3.2
241.15825	6.8
247.08412	1.2
253.15900	25.1
265.19409	1.9
268.18253	25.3
283.15439	4.3
283.20563	100.0
284.20950	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	283.2055
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
52.59937	1.2
53.03933	4.4
55.01852	2.9
55.05284	1.2
55.05512	15.8
57.03424	4.6
57.07061	4.9
59.04987	1.6
59.23122	1.1
65.03921	1.6
67.05505	34.9
69.03426	6.0
69.07063	15.8
70.85165	1.3
70.85502	2.4
71.04993	7.9
71.08620	7.7
79.05491	21.1
81.03391	3.6
81.07053	35.1
83.04981	7.1
83.08627	8.1
84.61688	1.5
85.06525	2.1
87.73114	1.3
89.06007	2.1
91.05477	21.9
93.07042	37.1
95.04973	14.2
95.08605	30.7
97.02873	1.8
97.06516	9.2
97.10155	2.2
99.08084	4.4
103.05475	3.0
105.06324	2.5
105.07032	47.2
107.04942	2.9
107.07901	2.1
107.08590	28.5
109.06509	10.4
109.10155	23.9
111.04418	1.4
111.08078	2.8
115.05414	2.2
116.98553	1.3
117.07011	10.3
119.08578	41.6
121.06519	7.8
121.10146	84.4
123.08093	7.3
123.11720	8.4
128.06213	4.9
129.06969	6.5
130.07765	3.6
131.08560	26.9
133.10127	30.3
135.08034	8.6
135.11696	11.0
137.09572	4.0
141.07011	3.3
142.07788	5.9
143.08560	17.5
144.09331	4.0
145.10132	38.8
146.07257	2.1
147.08014	4.0
147.11682	11.3
149.09561	2.9
149.13176	1.6
151.11220	1.4
153.12720	3.4
155.08588	3.8
155.10672	3.0
156.09351	6.4
157.10135	19.3
158.10921	5.9
159.08023	2.9
159.11696	15.2
160.12178	1.3
161.09612	21.8
161.13222	4.9
163.11148	9.0
163.14767	2.5
164.14040	1.3
165.06966	1.6
167.08672	2.6
169.10068	7.3
170.10904	2.8
171.11697	16.5
173.09644	3.5
173.11792	2.8
173.13255	45.0
175.11137	4.4
175.14819	7.3
177.12724	1.3
179.08577	4.0
180.09303	2.8
181.10101	4.5
183.11667	8.0
185.09587	2.5
185.13263	9.1
187.11192	2.4
187.14812	8.1
189.12767	4.2
191.10625	1.8
191.14241	3.4
193.10196	1.5
194.10905	3.8
195.11705	7.9
197.13280	7.3
199.11163	3.2
199.14838	8.6
201.12648	1.8
201.16417	3.8
203.14307	2.4
207.11787	2.0
208.12527	2.0
209.11635	1.7
209.13307	11.4
210.13922	2.5
211.11366	1.1
211.14868	2.4
213.12752	3.3
213.16289	3.5
215.14360	2.0
221.13217	2.3
223.14839	7.2
225.16374	4.5
227.12431	2.0
227.14319	5.4
228.14958	1.3
235.14796	2.1
237.16226	1.5
239.18011	2.1
241.15808	4.0
241.19530	1.9
250.17200	1.7
255.21054	12.9
265.19406	17.0
265.21674	22.0
283.15469	5.4
283.20535	100.0
284.20898	5.3
284.29419	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	283.2055
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.03941	3.4
55.01858	5.5
55.05509	15.4
56.96553	6.1
57.03429	4.7
57.07061	5.9
59.13453	1.2
65.03913	1.6
67.05504	26.5
69.03409	5.8
69.07060	15.1
70.03595	3.0
70.04007	3.8
71.04985	9.0
71.08646	1.3
79.05497	22.3
81.03401	3.3
81.07059	31.0
83.04984	12.4
83.08616	9.9
85.02882	2.6
85.06551	1.4
85.10170	1.4
89.02057	1.4
89.06024	3.0
91.05473	20.3
93.07037	30.3
95.04956	9.2
95.08600	27.0
97.02868	2.5
97.06540	7.9
97.10156	3.0
98.21489	2.0
98.97601	3.0
103.05479	3.0
105.06316	2.8
105.07027	47.1
107.04935	4.7
107.08593	29.2
109.06534	8.1
109.09503	1.9
109.10168	21.8
111.04461	6.7
111.08062	4.0
113.09669	2.0
115.05437	3.0
116.98616	2.9
117.07003	9.8
119.08578	31.4
121.06513	8.1
121.10143	98.4
122.10436	1.7
123.08036	8.1
123.11714	8.8
125.09630	2.6
127.04353	1.4
128.06270	3.3
129.07002	6.6
130.07782	3.4
131.08568	22.7
133.06493	2.8
133.07549	1.4
133.10124	26.6
134.99666	2.8
135.08081	9.4
135.11697	17.0
139.11235	1.5
141.06970	2.4
142.07735	4.1
143.08545	16.5
144.09344	2.0
145.06349	2.0
145.10123	35.9
146.07211	2.7
147.08029	5.1
147.11699	6.6
149.09592	3.1
149.13286	2.3
151.11235	2.5
153.12720	10.9
155.08556	3.0
156.09326	5.5
157.10133	15.0
157.45844	1.9
158.10864	5.6
159.08078	3.1
159.11720	12.2
161.09608	22.1
161.13231	4.0
163.11163	15.3
165.06966	1.8
167.08560	4.0
169.10129	3.9
169.12265	2.2
170.10855	2.3
171.08131	2.4
171.11667	12.8
173.09657	7.0
173.13268	38.4
174.13652	1.7
175.11166	4.6
175.14868	7.1
179.08545	3.7
181.10097	4.3
181.12273	7.3
183.11652	5.3
185.09599	3.8
185.13176	7.8
187.11221	2.7
187.14815	7.7
189.12769	4.6
191.10703	3.8
193.10184	3.6
194.10947	5.2
195.11630	7.1
196.36351	1.3
197.13257	7.1
199.11194	2.5
199.14810	4.8
201.12663	1.7
201.16260	3.5
207.11777	1.8
208.12477	3.6
209.11673	3.2
209.13287	9.2
211.14859	3.3
212.25510	1.4
213.12735	3.5
213.16327	2.8
223.14748	5.2
223.66187	1.3
225.16397	4.3
227.12466	9.8
227.14485	4.4
229.07393	2.4
235.14767	2.2
237.16389	1.5
239.18085	1.7
241.15872	2.9
247.08458	2.2
255.21104	5.3
265.19443	19.5
265.21765	2.7
266.19644	1.6
275.98431	1.5
278.00842	4.3
283.15829	10.7
283.20544	100.0
283.28278	2.8
284.20831	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	283.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01863	6.5
55.05512	22.5
55.26961	1.4
56.96547	3.9
57.03435	9.1
57.07079	7.8
59.04993	2.4
65.03939	1.9
65.76799	1.3
67.05143	3.1
67.05503	56.4
69.03410	2.7
69.07069	13.3
69.91431	2.4
69.91758	8.2
71.04988	9.5
71.08629	25.1
79.05495	20.7
81.03417	4.8
81.07056	28.8
83.04969	12.9
83.08629	10.3
83.09052	2.0
85.02901	2.7
85.06574	3.7
89.06009	1.6
91.05463	16.2
93.07043	27.4
95.04957	7.0
95.08607	41.1
97.02851	3.0
97.06512	7.3
97.10178	4.7
98.97573	2.4
99.08089	16.9
105.07018	10.6
107.04932	4.2
107.08601	19.3
109.06512	4.3
109.10155	28.4
111.04420	6.0
111.08069	6.0
111.11678	1.7
116.98618	2.3
117.06999	4.3
119.08585	12.4
121.06491	2.5
121.10132	14.6
122.53250	1.3
123.08054	2.9
123.11705	2.9
125.09609	2.9
127.11162	2.4
128.06236	1.9
129.06989	1.7
131.08568	6.3
133.10130	12.3
134.99666	3.4
135.11697	11.0
137.09630	4.2
139.11171	2.3
143.08586	2.8
143.43620	1.3
145.10146	11.9
147.07947	1.3
147.11699	4.0
149.09596	2.2
149.13255	3.0
151.11192	6.4
153.12730	6.3
155.10658	14.1
157.10152	3.9
159.08031	1.7
159.11711	4.3
161.09674	1.5
163.11174	11.4
165.12692	2.5
171.11652	2.3
173.09610	5.1
173.11897	2.6
173.13248	4.0
181.12244	3.7
182.10843	2.0
183.11717	2.8
183.13690	2.2
187.14857	2.0
191.10735	3.4
195.11751	2.8
197.13275	1.8
199.11113	1.9
199.14798	1.6
205.70265	1.8
209.11728	4.1
209.13429	2.1
213.93340	1.3
223.14883	1.5
227.12753	5.1
227.14619	1.9
229.07590	2.3
229.19600	3.5
229.52544	1.7
247.20552	3.4
252.11440	2.6
252.92509	1.4
257.47382	1.6
260.10266	1.8
265.21643	100.0
266.21750	1.6
278.00912	1.9
278.45621	1.5
279.00653	1.6
283.15198	10.4
283.20569	12.0
283.22916	6.5
284.29532	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	283.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68060	1.0
53.03946	1.8
55.01864	3.3
55.05505	13.6
56.96561	1.5
57.03435	6.7
57.07062	3.2
59.04987	2.2
59.18590	0.9
64.35763	0.8
65.03946	1.3
67.05501	53.6
69.03424	1.5
69.07063	11.0
70.19235	2.4
70.19634	1.9
71.04999	7.5
71.08250	1.4
71.08626	21.8
71.34727	1.0
79.05479	12.3
81.03419	3.1
81.07052	24.9
83.04982	6.1
83.08617	8.2
84.74683	0.9
85.02895	2.9
85.06535	3.0
85.10178	0.9
88.69417	0.8
91.05476	13.3
92.47501	0.9
93.07040	18.6
95.04961	4.0
95.08607	37.3
97.06539	6.8
97.10167	2.6
98.31087	0.9
98.97578	1.1
99.08090	15.8
105.07034	9.6
107.04924	1.1
107.08593	10.1
109.06530	1.7
109.10152	26.7
111.04472	1.6
111.08081	3.5
113.06017	1.4
113.09644	1.6
116.98631	1.1
117.07009	3.3
119.08566	7.1
121.06545	1.6
121.10141	13.3
123.08083	1.1
123.11719	2.1
125.09683	2.1
127.11188	3.1
129.06964	1.1
131.08577	4.8
133.10124	9.5
134.99724	1.7
135.08095	1.5
135.11700	6.1
137.09587	3.9
139.11188	2.2
143.08582	2.1
145.10085	5.7
147.11667	2.7
149.09619	1.4
149.13284	1.4
151.11177	5.1
152.10332	0.9
153.12764	3.1
155.08516	0.9
155.10643	11.2
157.10133	1.6
159.11711	2.8
161.09554	1.4
161.13269	1.3
163.11191	3.9
163.14854	1.2
165.12712	1.3
171.11732	1.0
173.11714	2.5
173.13272	4.5
181.12251	1.3
183.13832	1.7
191.10663	1.5
199.14752	1.3
209.11627	1.4
214.93677	0.9
223.14839	1.6
227.12816	2.7
229.07407	1.4
229.19562	1.5
247.08467	1.6
247.20604	3.6
265.21622	100.0
266.21912	2.5
283.15488	3.8
283.20410	4.4
283.23105	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	283.2418
Annotation	Aikupikanyne B
Peak:m/z	Relative Intensity
55.05510	17.9
57.03441	3.5
57.07072	20.4
57.52312	2.0
67.05497	18.3
69.07065	29.3
71.08620	9.4
71.34547	4.0
72.03944	2.2
72.11378	2.5
79.05499	13.5
81.07063	20.4
83.04996	5.4
83.08618	23.0
85.10210	2.4
91.05481	16.1
93.07038	16.3
95.04970	3.4
95.08603	26.2
97.06554	3.5
97.10158	6.0
98.97572	5.4
105.07039	34.0
107.08582	14.3
109.10150	14.1
111.04469	3.2
111.11726	4.8
115.05485	4.1
116.98615	2.5
117.07043	11.4
119.08576	59.9
121.10151	7.7
123.08000	2.4
123.11708	10.9
128.06206	5.9
129.07002	11.7
130.07808	5.6
131.08559	42.0
131.09526	2.4
133.10127	31.6
134.99628	5.0
135.11696	9.9
137.13197	3.4
141.06894	3.0
142.07787	8.8
143.08556	36.1
144.09315	2.6
145.10121	37.1
147.11662	14.9
149.13232	4.2
151.14818	3.3
155.08540	4.4
156.09384	11.3
157.10123	42.4
159.11725	19.8
163.11143	7.5
163.14900	3.2
169.10135	6.7
170.10880	5.7
171.11697	29.9
173.13284	12.1
175.14874	2.3
176.99635	2.1
177.16483	3.3
178.36371	2.0
180.02158	4.0
181.10143	4.0
182.10878	3.7
183.11694	5.3
184.12413	2.3
185.13271	29.0
187.14827	2.7
195.11746	4.0
197.13257	13.4
199.14871	16.2
213.16414	8.1
227.12718	4.1
227.18021	12.7
240.18520	5.1
241.19461	18.4
250.17044	2.4
252.66713	2.2
259.99832	3.2
265.19345	3.9
265.21741	6.9
278.01248	2.8
283.15546	6.4
283.20630	23.5
283.24207	100.0
283.28165	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	284.0991
Annotation	NSC19994
Peak:m/z	Relative Intensity
55.01860	0.3
56.96551	0.6
57.03425	0.4
61.02914	0.4
69.03406	0.5
70.06593	0.4
70.98920	0.5
85.02893	0.8
93.22099	0.2
97.02837	0.2
98.97610	0.4
98.98441	0.3
100.27228	0.2
103.93481	0.2
109.05119	0.3
110.03529	2.2
115.03905	0.2
116.07156	0.3
128.04558	1.0
135.03024	3.1
152.05669	100.0
153.04085	8.0
153.05179	0.3
153.06056	0.6
153.62634	0.3
194.85666	0.3
200.37178	0.2
238.10724	0.9
292.80319	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	284.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.03943	0.7
55.01875	2.5
55.05502	0.5
55.49816	0.3
57.28598	0.2
58.48781	0.2
63.00026	0.3
65.03925	0.3
67.05508	0.5
68.05032	0.6
68.44792	0.3
69.03424	0.3
70.83481	0.6
77.03913	0.3
79.05479	0.7
80.05018	0.9
81.07061	0.5
82.06585	3.5
84.08147	0.4
89.16328	0.3
89.48020	0.3
91.05476	2.5
93.07059	1.4
94.06570	0.6
95.04969	16.9
95.08607	0.6
96.04524	0.4
96.05286	0.3
96.08153	1.9
96.36450	0.3
98.06049	0.4
98.09679	1.4
103.05473	0.7
105.04506	0.3
109.06522	0.7
110.06104	1.4
110.09682	23.1
111.09915	0.3
118.06561	0.3
120.08104	20.4
121.06506	92.0
122.06827	1.3
123.06873	0.5
124.07592	1.8
125.08376	5.0
129.04475	7.8
130.02879	1.7
132.04469	0.6
136.07576	0.3
138.09140	100.0
139.09514	1.4
147.05534	17.0
159.05547	13.1
160.05795	0.3
177.06598	7.6
187.05032	9.8
187.08676	0.5
215.08032	0.6
266.12900	1.8
284.13940	27.2
284.29407	0.3
285.14374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82862	1.6
53.03931	3.9
55.01854	3.6
55.05292	2.3
55.05514	29.5
57.03438	59.5
57.07075	2.1
59.04985	1.9
65.03941	2.9
67.05507	45.9
68.61822	1.7
69.03430	5.0
69.07069	13.6
71.04985	12.4
71.41256	2.3
71.41598	1.8
79.05493	42.0
81.03422	89.0
81.07058	59.0
83.04981	21.1
83.08621	36.9
85.02908	100.0
85.06520	4.5
91.04915	3.1
91.05482	54.0
93.07047	32.7
95.04973	45.6
95.08610	21.5
97.02901	3.2
97.06511	8.9
97.10162	5.9
99.08139	2.2
105.07036	40.7
107.04954	8.9
107.08572	10.0
108.18864	1.5
109.06513	9.4
109.10169	9.7
111.04460	3.1
111.08092	21.7
113.05988	8.8
117.07038	2.1
119.08591	31.8
121.06509	3.1
121.10136	14.0
123.08071	4.9
123.11703	4.2
125.09678	2.5
129.07004	14.9
131.08569	20.6
133.06477	5.1
133.10123	21.0
133.68542	1.7
137.09618	3.0
139.50990	1.6
142.07758	3.7
145.10123	4.6
147.08029	11.0
147.11685	25.5
149.09599	10.7
157.10139	23.1
159.08075	8.1
159.11742	2.1
163.11195	3.6
165.12756	7.4
173.09581	2.5
175.11182	26.8
187.11255	4.0
189.12732	18.4
193.12242	94.3
201.12717	16.5
203.14394	3.0
211.13297	70.5
215.14320	4.7
229.15999	4.3
243.17538	3.0
285.16965	60.9
285.21890	17.8
285.33374	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	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03934	6.6
55.01868	4.8
55.05283	2.0
55.05516	25.2
57.03173	3.3
57.03439	50.0
61.11404	1.8
67.05508	38.2
69.03420	6.0
69.07067	10.5
71.04986	9.0
71.26377	3.4
74.72211	1.6
79.05498	38.1
79.35210	1.7
81.03420	100.0
81.07056	47.0
83.04984	21.1
83.08102	1.9
83.08617	38.6
85.02907	83.9
85.06509	3.6
85.37851	2.3
91.05484	48.2
93.07047	29.4
93.07594	3.2
95.04964	42.1
95.08612	21.4
97.02868	5.1
97.06530	5.3
97.10171	4.0
105.07037	39.6
107.04964	8.7
107.08607	12.0
109.06531	9.9
109.10147	7.0
110.55627	1.9
111.04439	3.8
111.08079	17.9
113.05995	7.8
119.08588	28.9
121.10146	14.1
123.08075	3.3
123.11700	4.3
129.06984	12.0
131.08577	14.7
133.06520	2.0
133.10123	16.6
137.09639	2.9
142.07736	3.4
143.14818	1.8
145.10086	2.8
147.08035	5.9
147.11694	27.9
149.09622	7.1
155.80969	1.9
157.10136	22.1
165.12787	6.1
175.11217	25.5
193.12247	92.8
211.13297	63.1
229.14372	1.8
267.15897	7.4
285.16974	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10610	1.3
53.03935	4.0
55.01866	3.2
55.05514	18.1
57.03169	2.3
57.03436	27.3
65.03928	2.0
67.05504	25.7
69.03405	4.1
69.07066	7.5
69.66217	8.8
71.04995	6.9
79.05492	22.6
81.03417	100.0
81.07053	28.2
82.60763	1.3
83.04980	10.2
83.08617	31.2
85.02904	50.4
85.06549	2.6
91.04917	1.9
91.05477	27.9
93.07040	15.5
95.04967	33.3
95.08604	11.7
96.08904	1.2
97.02888	4.4
97.06525	4.2
97.10152	3.4
105.07030	22.3
107.04934	7.0
107.08589	7.2
109.06517	6.4
109.10155	3.6
111.04422	1.8
111.08077	12.8
113.05990	3.5
115.05405	2.5
117.07038	1.5
119.08565	18.4
121.06516	1.9
121.10130	12.7
123.08101	3.2
123.11723	2.6
129.07005	10.3
131.08556	12.9
133.06458	3.8
133.10086	8.8
137.09650	2.3
142.07761	2.8
145.10065	1.3
145.13727	1.3
147.07996	2.4
147.11693	22.0
149.09616	5.3
157.10124	16.5
165.12762	5.6
174.55185	1.3
175.11166	21.0
193.12236	73.5
211.13277	40.8
229.14400	4.7
267.15964	9.7
285.16931	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01852	4.2
55.05510	27.6
57.03174	2.5
57.03438	46.7
63.20832	1.7
65.03927	2.7
67.05504	44.0
69.03409	3.7
69.07074	7.3
69.27939	7.2
69.28358	8.3
71.04987	8.9
79.05491	44.8
81.03416	100.0
81.07051	48.1
83.04981	21.9
83.08619	34.1
85.02901	69.4
85.06535	3.5
88.35052	1.5
91.05479	51.3
93.07037	25.9
95.04390	2.5
95.04967	39.7
95.08593	18.1
97.02876	4.9
97.06521	8.2
97.10178	3.3
99.08104	1.9
105.07026	36.0
107.04948	7.0
107.08567	11.3
109.06499	8.7
109.10187	7.0
111.04380	3.7
111.07377	2.6
111.08076	22.7
113.06030	7.1
113.42383	1.6
115.05441	2.0
119.07824	2.7
119.08586	31.7
121.10123	15.8
123.08058	4.1
123.11728	5.0
125.09581	2.6
129.07007	16.2
131.08575	16.2
133.06465	5.4
133.10115	14.5
137.09604	1.9
142.07805	2.8
147.07980	4.7
147.11682	26.5
149.09616	9.2
157.10117	23.3
165.12717	7.4
175.11160	27.5
193.12241	96.3
211.13286	62.2
222.49185	1.7
229.14337	1.8
267.15903	6.5
269.50140	1.8
285.16946	67.7
298.20828	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03940	2.4
55.01864	2.3
55.05513	12.1
57.03171	1.3
57.03440	18.6
57.13949	0.7
58.82355	0.8
59.66771	0.9
64.29258	0.9
66.57708	0.8
66.59568	0.9
67.05507	16.9
69.03419	3.5
69.07076	4.1
69.68497	4.3
71.04989	3.8
79.05493	18.2
81.03419	100.0
81.07059	19.8
83.04979	10.8
83.08619	24.8
83.16483	0.8
85.02906	27.2
85.06515	1.2
87.04411	1.2
91.05483	22.3
93.07043	11.0
95.04967	28.4
95.08601	7.8
97.02885	2.6
97.06551	2.6
97.10190	2.5
98.20832	1.0
99.08137	1.1
105.07025	16.3
107.04961	6.3
107.08598	5.6
109.06528	4.1
109.10166	2.9
111.04430	1.7
111.08089	13.1
113.06021	2.3
115.05435	1.2
119.04919	1.1
119.08588	17.4
121.06494	2.1
121.10155	8.7
123.08047	1.9
123.11771	1.7
125.09593	1.1
129.07008	9.7
131.08575	8.3
133.06517	2.2
133.10129	6.1
134.65114	0.9
137.09673	1.2
140.87282	0.8
142.07767	2.8
147.08026	2.5
147.11694	15.5
149.09619	6.5
157.10136	12.4
165.12755	4.4
175.11172	16.6
193.12248	57.1
194.12631	1.1
211.13289	27.9
229.14450	2.2
231.51979	1.0
239.67255	0.8
267.15884	10.0
278.83307	0.9
285.16995	19.9
286.21255	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.04899	1.1
53.03938	3.5
55.01869	2.2
55.05516	9.1
57.03433	7.5
61.46698	1.0
66.52658	1.0
67.05502	14.1
69.03428	2.3
69.07070	3.0
69.18478	1.2
69.18766	12.1
71.04980	1.9
79.05498	15.2
81.03422	100.0
81.07053	13.2
83.04977	4.3
83.08617	23.6
83.42352	1.1
85.02921	11.2
85.06547	1.1
91.05487	15.7
93.07032	7.3
95.04971	24.8
95.08587	5.1
97.02908	3.2
97.06527	1.9
105.07032	11.7
107.04345	1.2
107.04964	6.9
107.08601	3.2
109.06499	2.3
109.10197	1.4
110.16489	1.1
111.04420	1.7
111.08083	11.6
113.06061	1.1
117.07032	1.7
119.08598	9.2
121.06518	1.9
121.10136	4.8
123.08116	1.1
129.07036	8.2
131.08565	7.2
133.06453	1.3
133.10149	4.2
137.09642	1.8
142.07843	1.6
147.08084	2.6
147.11690	10.6
149.09650	4.6
157.10158	9.2
165.12764	1.3
175.11180	13.9
193.12257	48.2
211.13281	10.7
226.57660	1.1
267.15918	12.4
285.12167	1.2
285.16928	6.8
295.61514	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03938	3.8
55.01855	2.7
55.05516	7.5
57.03438	11.3
65.03912	1.3
67.05508	13.9
69.03430	2.2
69.07053	2.7
70.80768	2.2
71.04994	2.3
79.05495	14.4
81.03421	100.0
81.07057	14.9
83.04971	7.0
83.08621	17.7
85.02911	10.5
91.05478	14.3
93.07032	6.2
95.04401	1.6
95.04971	26.5
95.08631	5.1
97.02879	1.9
97.06528	1.6
97.10154	1.5
103.81004	1.0
105.07025	11.0
107.04969	6.2
107.05556	1.0
107.08591	3.5
109.06516	4.1
109.10162	1.9
111.04411	2.5
111.08084	11.2
117.06995	1.9
119.08585	11.5
121.06504	2.3
121.10137	3.6
123.08138	1.0
127.29478	1.0
127.52923	0.9
128.06213	1.5
129.06985	7.3
131.08568	8.2
133.06462	4.0
133.10127	4.1
137.09616	1.6
142.07780	2.7
147.08080	3.4
147.11714	7.8
149.09622	3.9
157.10133	9.8
165.12758	2.1
175.11176	10.8
180.41925	1.0
182.63322	1.1
185.13124	1.1
193.12251	48.5
211.13298	10.6
222.13499	0.9
241.12285	1.2
267.15918	10.7
285.17001	9.1
291.33887	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01862	6.5
55.05512	32.6
57.03436	70.5
59.04996	2.2
65.03936	2.1
67.05505	51.3
69.03429	7.4
69.07069	13.0
70.02287	6.9
71.04993	13.6
71.23439	1.2
79.05035	2.2
79.05492	53.2
81.03416	100.0
81.07052	54.9
83.04504	2.0
83.04974	22.8
83.08617	39.7
85.02904	97.0
85.06515	3.7
91.05478	62.6
93.07039	35.5
95.04398	2.7
95.04969	44.8
95.08604	25.1
97.02877	7.0
97.06528	10.0
97.10155	5.4
99.08082	1.9
103.09460	1.3
105.06323	2.7
105.07031	46.9
107.04961	9.3
107.08590	13.3
109.06517	8.3
109.10146	5.8
111.04417	3.7
111.08073	20.9
113.06016	8.7
115.05428	2.9
117.06959	2.2
119.04949	1.8
119.08580	33.6
121.06474	2.3
121.10134	19.2
123.08064	6.5
123.11715	4.2
129.06996	15.5
131.08563	21.7
133.06454	5.3
133.10136	21.4
137.09605	5.6
137.13211	1.7
142.07753	4.2
145.10120	1.6
147.08046	5.0
147.11673	28.5
149.09608	11.3
151.07555	1.6
157.10115	22.1
165.12747	6.5
175.11191	31.8
193.12238	86.2
200.44635	1.4
211.13295	48.4
225.08981	1.4
267.15915	5.7
285.16956	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03942	2.0
55.01870	1.7
55.05507	10.8
56.96556	3.0
57.03437	6.0
57.07075	4.8
60.20891	0.7
63.00032	2.1
65.03931	1.1
67.05506	11.8
69.03428	2.3
69.07069	12.0
69.87656	2.1
69.88062	3.5
71.04986	2.7
71.08591	0.9
78.19975	0.7
79.05494	10.9
81.03419	13.8
81.06607	1.7
81.07056	25.0
83.04970	4.0
83.08618	8.9
85.02900	8.4
85.06528	1.0
91.05473	15.8
93.07042	17.2
95.04982	7.1
95.08605	21.7
97.06516	7.3
97.10156	3.6
98.97581	1.7
98.98465	2.6
105.07032	22.8
107.04960	1.9
107.08593	17.7
109.06490	2.9
109.10153	11.5
109.93025	0.8
111.08076	4.3
113.06016	0.9
115.05395	1.7
116.98618	1.3
117.07008	7.9
119.08578	24.3
121.06506	1.4
121.10145	13.5
123.08028	3.2
123.11687	4.8
125.09590	1.5
128.06255	2.4
129.07002	8.2
131.08571	19.6
133.06485	1.1
133.10117	17.7
134.99649	1.2
135.08037	1.6
135.11668	6.3
137.09612	1.8
137.13278	1.7
139.11160	1.4
141.07025	3.7
142.07764	3.8
143.08560	14.2
144.09285	1.2
145.06509	1.1
145.10129	21.7
145.11253	1.1
147.08092	1.0
147.11682	19.7
149.09647	1.6
149.13303	4.5
153.07013	1.1
154.07736	1.8
155.08548	10.9
156.09334	3.5
157.10139	17.2
159.11693	18.4
160.97589	1.1
161.09668	1.7
161.13220	6.3
163.11192	1.2
163.14835	2.5
165.12724	1.8
167.08572	1.5
168.09364	1.8
169.10130	13.3
170.10876	2.4
171.11679	14.5
172.12401	1.3
173.13303	9.2
175.11174	4.1
175.14832	3.5
177.12770	1.6
181.10068	2.8
182.10901	4.0
183.11670	14.3
184.12367	1.3
185.13269	14.2
186.13792	0.9
187.11220	1.3
187.14821	17.7
189.12701	2.5
189.16417	1.4
191.14432	1.6
193.12251	11.5
195.11647	2.6
196.12521	2.3
197.13235	21.3
198.13998	2.2
199.14818	10.2
201.12752	2.2
201.16389	8.0
203.14297	1.8
209.13245	2.9
211.13188	6.0
211.14929	13.3
212.15562	1.2
213.16396	8.3
214.13628	1.1
214.17119	1.6
215.14296	3.0
215.17987	1.7
223.14914	2.1
224.15605	2.4
225.16405	9.0
227.17961	7.8
229.15923	2.7
231.17336	1.0
237.16379	1.5
238.17258	1.3
239.17926	9.1
241.12215	1.6
241.15889	1.1
241.19518	7.3
242.20309	1.9
243.17493	4.6
243.21030	2.5
252.18666	1.3
254.20229	1.2
255.21082	3.8
257.19086	1.4
257.22610	6.4
267.21078	46.7
285.17419	6.3
285.22110	100.0
286.22433	1.9
291.04074	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	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03930	1.1
55.01851	0.6
55.05508	5.2
56.96556	1.0
57.03418	2.3
57.07061	1.4
57.85928	0.5
63.00042	0.9
67.05499	8.1
69.07066	4.9
71.04997	0.9
71.49944	0.8
79.05489	6.7
81.03422	6.3
81.07053	12.4
83.04977	1.5
83.08614	3.8
85.02911	3.4
91.05475	7.4
93.06496	0.9
93.07044	12.2
95.04971	3.3
95.08601	8.5
97.06515	1.6
97.10188	0.8
98.98447	1.0
105.07026	13.1
107.04933	1.4
107.08595	8.9
109.06501	1.0
109.10167	4.3
111.08064	1.9
115.05441	0.8
117.07018	4.4
119.08576	10.8
121.10147	6.3
123.11677	2.0
128.06215	1.1
129.07010	5.3
130.07742	0.7
131.08559	9.3
133.10127	14.2
134.99745	0.5
135.11697	5.0
137.09576	0.8
140.80133	0.4
141.06978	2.1
142.07776	1.8
143.08559	9.0
144.09308	0.6
145.10123	7.8
147.11679	5.9
149.09595	1.3
149.13211	1.0
151.11153	1.0
154.07704	0.8
155.08528	4.8
156.09337	1.5
157.10123	8.4
158.10927	0.7
159.11679	6.6
161.13202	2.0
163.11122	0.9
165.12701	0.8
167.08488	1.0
168.09341	1.2
168.74008	0.5
169.10126	7.5
170.10875	1.2
171.10320	0.6
171.11691	8.0
172.12477	1.6
173.13242	3.0
175.11203	1.8
175.14836	1.4
181.10066	1.6
182.01955	0.5
182.10890	1.6
183.11673	10.1
184.12398	1.0
185.13255	7.1
186.13976	0.7
187.14818	1.8
191.14284	0.7
193.12254	4.4
195.11699	1.2
196.12465	1.5
197.13248	5.5
198.14037	1.1
199.14827	3.8
201.16380	1.3
209.13292	1.6
210.13948	0.7
211.12912	2.4
211.14911	10.2
212.15546	1.6
213.16302	1.0
217.15797	0.9
223.14862	1.1
224.15576	0.9
225.16374	9.8
226.17105	4.2
227.17934	17.2
229.15929	3.3
239.17934	16.3
239.20219	1.0
241.19597	0.7
243.17519	1.1
254.20296	10.7
255.20885	1.6
256.42117	0.5
257.19028	1.3
257.22601	0.8
267.21075	8.3
268.09439	0.6
270.19727	0.9
285.16949	2.9
285.22110	100.0
286.22467	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	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03942	0.8
55.05511	7.9
57.03429	1.5
57.07059	3.2
59.22569	0.8
59.95502	0.7
65.22189	0.8
67.05508	9.0
69.03430	0.9
69.07066	8.7
70.18130	3.6
79.05482	8.6
81.03407	2.2
81.07056	13.7
83.04977	1.9
83.08636	4.9
85.02900	1.0
91.05483	13.6
93.06505	1.3
93.07045	16.4
95.04951	2.4
95.08604	13.6
97.06524	2.1
97.10177	4.0
98.21440	1.5
99.08071	1.1
105.07029	22.6
107.04951	0.9
107.08593	17.6
109.06522	3.1
109.10153	11.7
111.08067	2.6
117.07011	9.0
119.08581	19.5
121.06518	2.0
121.10135	12.4
123.08071	2.2
123.11700	7.1
125.09593	1.7
128.06212	2.1
129.06987	5.9
130.07791	1.3
131.08571	16.3
133.06436	1.7
133.10132	22.3
135.08015	2.1
135.11685	11.1
137.09590	2.1
139.11128	2.2
141.06961	3.5
142.07780	4.8
143.08575	11.7
144.09349	1.5
145.06496	1.5
145.10124	17.0
147.08017	3.4
147.11690	17.9
149.09613	2.7
149.13261	3.1
151.11179	3.6
154.07787	1.2
155.08553	10.1
156.09344	2.4
157.10144	15.6
159.08044	1.1
159.11688	14.5
160.12460	1.0
161.09644	1.8
161.13239	5.8
163.11182	3.9
165.12666	1.1
167.08525	2.4
168.09358	2.5
169.10123	13.0
170.10931	1.6
171.11684	12.4
173.09648	2.2
173.13266	8.2
175.11206	8.3
175.14821	2.9
177.12688	2.0
181.10103	2.7
182.10886	2.3
183.11694	12.9
184.12430	1.8
185.13231	8.6
187.11218	2.0
187.14809	12.2
189.12753	3.0
189.16380	1.1
193.12212	1.7
195.11522	1.6
196.12485	1.7
197.13261	21.0
198.14023	1.9
199.14827	7.8
201.12773	1.3
201.16380	6.9
205.75711	0.9
209.13239	2.5
210.14026	1.2
211.14816	13.4
213.16379	10.8
215.14255	5.7
215.17938	2.0
217.15933	3.3
223.14847	2.1
224.15564	2.0
225.16382	8.3
226.17093	1.0
227.17961	8.1
229.15863	4.1
231.17346	1.0
237.16357	1.0
238.17136	1.6
239.17981	4.7
241.19507	9.1
242.20345	1.5
243.17386	4.3
243.21124	2.4
252.18808	2.2
257.19095	1.4
257.22617	4.9
267.21088	46.3
285.22119	100.0
286.22507	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	285.2213
Annotation	Pisiferin
Peak:m/z	Relative Intensity
55.05514	21.7
57.07059	3.9
64.64057	1.2
67.05482	4.0
69.07072	27.8
70.14288	2.8
70.14677	2.6
77.77676	1.1
78.12509	1.1
79.05483	3.2
81.06599	1.4
81.07047	7.3
83.08624	13.3
85.10180	2.7
91.05467	3.6
93.07023	4.1
95.04953	1.2
95.08585	3.7
97.10167	13.4
98.20897	1.1
98.98445	1.9
105.07030	4.5
107.04935	5.5
107.08603	2.6
109.10125	2.4
111.11693	4.8
115.05308	1.5
117.06998	2.3
119.08553	3.0
121.06491	3.8
121.10133	2.8
123.11713	7.3
128.06201	1.4
129.07040	1.8
131.08569	6.4
133.06480	14.8
133.10149	2.7
137.13306	1.7
141.06982	2.3
144.05696	2.2
145.06474	23.0
145.10117	1.8
147.08058	24.4
147.11665	1.6
149.09622	28.4
154.07811	1.5
155.08536	2.8
157.06535	1.3
157.07664	1.5
158.07265	2.6
159.08054	36.2
159.11674	2.7
161.09598	12.1
163.11205	5.7
164.42021	1.3
169.07669	1.4
169.10114	2.6
171.08084	1.7
172.08823	3.2
173.09633	18.6
173.13174	2.2
175.11182	35.4
175.14844	1.5
177.12758	3.5
183.11693	2.4
185.09656	1.5
186.10396	10.5
187.11171	30.5
189.12753	60.3
190.13101	1.6
190.51123	1.5
200.11983	1.5
201.12753	100.0
202.12967	2.0
203.14288	16.0
215.14311	38.8
225.16315	1.7
227.14305	1.5
229.15886	24.3
242.16670	1.6
243.17455	28.0
267.21045	2.0
285.22119	97.6
286.22528	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	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03928	3.5
55.05521	13.8
57.03434	4.1
57.07069	8.5
59.04983	3.1
60.08158	3.2
63.00025	3.3
67.05192	2.1
67.05507	26.3
69.03400	4.0
69.07067	13.8
70.56951	4.5
71.04977	1.9
71.08602	3.1
79.05492	30.0
81.03414	8.0
81.06611	2.7
81.07058	29.5
83.05003	8.2
83.08164	1.9
83.08604	8.4
85.02887	5.1
85.06535	1.6
88.64346	1.6
91.05483	27.0
93.07043	41.0
94.99203	1.5
95.04946	7.1
95.08605	22.0
95.27712	1.5
97.06528	4.4
98.98471	3.1
105.07037	38.1
105.69346	1.7
107.07897	2.6
107.08596	38.1
109.06493	3.2
109.10165	21.7
111.08077	6.5
111.11703	1.6
113.09657	5.4
117.07037	10.7
119.08574	26.8
121.10147	21.7
123.08041	2.6
123.11700	8.1
126.74258	1.7
128.06271	2.4
129.07013	5.6
131.08562	26.1
133.10138	36.9
135.08127	1.9
135.11687	30.0
137.09604	5.4
139.11142	4.8
141.06973	2.7
142.07751	3.2
143.08585	14.9
144.09288	2.7
145.10139	22.7
147.08145	2.3
147.10654	3.0
147.11671	24.2
149.09557	4.3
149.13237	5.1
151.11188	2.9
155.01917	3.0
155.08545	7.3
156.09392	1.9
157.10115	15.4
159.08052	2.0
159.11691	18.0
161.13316	8.9
163.11176	4.0
163.14767	2.1
165.12727	2.3
169.10112	8.3
171.01453	13.8
171.11699	12.8
173.09590	2.5
173.13231	16.6
175.11153	5.6
175.14807	3.5
177.12747	4.0
183.11655	7.5
184.16933	5.9
185.13249	10.2
187.11220	4.1
187.14751	10.5
189.12767	3.1
189.16333	2.1
193.12250	7.4
197.13274	14.2
199.14790	18.9
200.86276	1.9
201.12798	3.3
201.16388	9.2
203.14317	1.9
211.13121	2.3
211.14993	8.0
213.16365	5.1
215.14276	4.9
215.17892	4.4
223.14807	2.3
225.16403	6.7
227.17973	9.9
229.15900	5.8
237.09715	2.3
239.18031	2.8
241.19545	5.7
243.17584	9.2
243.21175	3.5
257.22620	5.8
267.21100	18.1
285.22131	100.0
285.25266	4.8
285.30374	2.9
285.33371	16.4
286.22324	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	285.2212
Annotation	Pisiferin
Peak:m/z	Relative Intensity
55.05516	18.0
57.01447	1.6
57.03434	4.4
57.07074	12.3
63.00035	2.7
67.05501	11.0
69.07074	26.5
70.85214	4.9
71.04988	2.2
71.08578	2.2
79.05480	7.4
81.03400	7.5
81.07049	27.3
83.08601	11.6
85.02906	2.6
85.10192	2.8
91.05482	8.6
93.07024	6.9
95.04966	3.6
95.08605	14.7
96.95290	1.8
97.06522	3.4
97.10170	16.1
98.98440	1.7
100.54321	1.6
105.07038	11.3
107.04931	6.1
107.08592	6.3
109.10153	19.2
111.11701	7.7
119.08563	9.5
121.06496	3.9
121.10113	5.0
123.10854	3.5
123.11704	59.4
129.06995	3.5
131.08588	8.8
133.06503	22.8
133.10097	1.8
135.07993	2.4
139.17702	1.7
143.08566	3.7
145.06499	15.5
145.10110	6.0
147.08044	45.1
147.09830	1.8
147.11649	12.5
149.09615	40.2
149.13190	3.0
150.09914	2.7
155.08514	3.9
155.78673	1.8
157.07550	3.5
157.10126	4.5
158.07214	2.8
159.08058	20.0
159.11708	3.0
161.09599	8.3
162.13881	1.7
163.11157	6.8
169.10059	5.3
171.08029	2.6
171.11745	3.3
172.08757	3.6
173.09608	23.9
173.13222	4.0
175.11192	47.4
177.12772	6.7
183.11702	3.2
185.09370	2.0
185.13206	2.3
186.10355	2.1
187.11153	17.5
189.12737	100.0
190.13055	3.0
193.12172	4.9
197.13153	2.8
199.14893	2.5
201.12738	66.5
203.14325	6.5
211.13292	3.8
215.14314	46.9
227.14305	3.3
229.15932	16.1
239.17932	2.2
243.17418	27.4
253.16902	3.3
267.20966	5.4
285.18735	3.5
285.22083	93.2
285.29773	4.9
285.33313	3.4
286.22403	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	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.07851	1.3
55.05499	6.6
57.03432	3.1
57.07066	4.0
63.00043	3.0
67.05511	7.0
69.07082	8.8
70.25397	5.4
79.05495	8.1
81.03419	5.5
81.07053	13.0
83.08599	6.5
85.02895	2.9
85.06548	2.7
91.05484	13.1
93.07036	15.5
95.04963	3.3
95.08614	13.5
97.06490	1.8
97.10138	1.5
98.97544	1.6
98.98446	3.0
102.02563	1.7
105.07040	18.7
107.08582	14.1
109.10129	10.1
111.08069	1.8
115.05481	1.5
116.06171	1.6
117.07007	5.2
119.08577	16.7
120.08953	1.6
121.10134	9.4
123.08098	1.8
123.11697	8.8
128.06197	2.1
128.74001	1.4
129.06987	6.1
130.07816	2.5
131.08562	36.2
133.10133	18.6
135.11703	3.3
141.07036	1.6
142.07785	6.1
143.08577	10.5
144.09349	1.9
145.10123	23.1
147.11691	39.9
155.08629	7.0
156.09344	4.2
157.10136	12.6
159.11699	17.2
161.13234	4.3
168.09335	2.1
168.72588	1.7
169.10091	8.3
170.10886	4.4
171.11684	23.5
173.13229	15.2
175.11220	2.3
175.14746	1.7
182.10867	3.1
183.11725	10.4
184.12550	2.0
185.13309	7.4
187.14844	3.9
193.12341	3.0
195.11691	2.2
196.12442	1.6
197.13254	15.9
199.14832	16.5
201.12708	2.8
201.16377	2.1
209.13135	1.7
211.13153	1.7
211.14891	10.5
213.16432	4.5
223.14946	1.6
224.15672	2.1
225.16370	8.5
227.17984	1.5
229.15775	1.6
237.16347	2.1
238.98441	1.6
239.17998	1.9
241.19502	1.8
252.18692	2.7
267.21045	27.7
285.22113	100.0
285.24942	3.4
286.22415	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	286.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67593	0.3
55.05516	0.3
56.05040	2.9
57.09589	0.2
67.05507	0.6
69.57903	1.4
72.37961	0.2
81.03426	0.3
84.08145	100.0
85.08479	0.6
95.04969	1.0
98.21521	0.3
105.07009	0.4
109.90308	0.2
111.08099	0.6
122.09675	0.6
123.08098	0.4
140.10712	0.4
147.05524	4.2
194.12544	0.3
203.08148	3.5
268.14365	0.3
286.15509	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26517	0.1
52.42859	0.1
53.03919	0.2
55.01870	0.2
65.03939	0.3
66.15865	0.2
67.01884	0.3
67.05492	0.2
68.99796	2.2
69.03426	0.4
71.01356	0.2
71.04999	0.2
76.55486	0.1
79.05499	1.0
81.03415	0.5
83.05000	0.1
84.08140	0.2
85.02863	0.2
91.05502	0.4
93.07034	0.3
95.04964	0.6
97.02860	0.2
98.20805	0.6
103.05470	0.4
105.03367	0.8
105.07082	0.2
107.04964	1.6
109.02846	0.7
111.00813	1.6
111.04452	0.4
115.05493	0.3
116.46342	0.2
119.08553	0.3
121.02869	7.3
123.04399	0.2
125.02328	0.3
127.03910	0.4
128.06148	0.2
129.06987	0.6
131.04968	0.2
131.08582	0.2
133.02876	1.2
135.04417	0.7
136.07602	0.3
137.02359	2.1
141.07028	0.5
145.06505	0.6
147.04449	1.4
147.05505	0.2
153.01836	10.5
157.06526	1.4
161.05949	0.3
162.05399	0.2
165.01846	3.8
169.06541	0.3
171.04411	0.7
175.04100	0.2
183.02913	2.0
185.05922	1.0
197.06029	0.5
203.07016	0.3
213.05475	3.3
229.04997	0.6
231.06532	1.3
241.04951	1.8
242.05772	0.2
258.05206	2.3
259.05923	1.0
269.04456	0.5
269.12665	0.2
287.05508	100.0
288.05884	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	287.0549
Annotation	Cyanidin
Peak:m/z	Relative Intensity
51.02370	0.1
53.03938	0.2
54.20437	0.1
55.01854	0.1
57.95266	0.1
60.77564	0.1
65.03931	0.3
67.01856	0.4
68.99414	0.1
68.99786	2.3
69.03414	0.3
69.20875	1.2
79.05494	0.6
81.03406	0.4
81.99586	0.1
91.05466	0.2
95.04969	0.3
103.05463	0.2
105.03393	0.8
105.04495	0.1
107.04954	1.1
109.02871	0.5
111.00804	1.3
111.04434	0.4
115.05445	0.1
119.04957	0.2
121.02865	6.4
122.03123	0.1
127.03896	0.3
128.06210	0.1
129.07037	0.5
133.02844	1.1
135.04408	0.3
136.72827	0.1
137.01396	0.2
137.02357	1.9
141.06969	0.3
145.06483	0.5
147.04431	1.4
151.03857	0.1
153.01831	10.3
157.06490	1.1
160.57774	0.1
161.05952	0.2
163.03891	0.2
165.01836	3.6
166.02538	0.1
168.93379	0.1
168.94807	0.1
171.02986	0.2
171.04308	0.8
173.06024	0.2
175.03931	0.2
175.07565	0.2
183.02876	1.4
185.05951	1.3
189.05501	0.3
197.05902	0.4
201.05565	0.1
203.03366	0.2
203.07051	0.4
212.04698	0.1
213.05467	3.0
213.07501	0.2
223.35478	0.1
229.04962	0.4
231.06523	1.2
241.04970	1.4
242.05717	0.2
243.06566	0.4
258.05249	2.2
259.06015	0.9
269.04456	0.3
284.31155	0.1
287.05493	100.0
288.05814	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	287.055
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03936	0.2
55.01869	0.3
55.05494	0.3
56.96561	1.0
57.03435	0.3
57.07053	0.3
58.06590	0.6
65.03915	0.4
66.48168	0.2
67.01858	0.4
67.05489	0.7
68.99785	2.4
69.03433	0.8
69.07049	0.3
71.01344	0.2
71.04967	0.2
71.48934	0.2
79.05487	1.1
81.03406	0.9
81.07050	0.8
81.10666	0.2
82.03740	0.2
83.08600	0.3
84.08147	0.3
85.02892	0.7
85.06528	0.2
85.10187	1.5
86.09662	0.2
87.04455	0.2
87.38437	0.1
91.05472	0.6
93.07027	0.7
95.04967	0.9
95.08591	0.6
97.02882	0.5
97.06516	0.6
98.97575	0.7
98.98473	0.2
99.08076	0.2
103.05477	0.5
105.03377	1.1
105.07027	0.6
107.04946	1.8
107.08572	0.2
109.02857	1.0
109.06541	0.2
109.10163	0.3
109.41636	0.2
111.00787	1.5
111.04449	0.5
113.09644	3.4
115.05457	0.3
116.98608	0.5
117.07019	0.3
119.04940	0.2
119.08563	0.7
121.02862	7.0
121.06481	0.3
121.10141	0.7
127.03896	0.3
128.06218	0.2
128.98605	0.3
129.07007	0.8
131.04892	0.2
131.08577	0.2
133.02884	0.8
133.10094	0.2
134.99675	0.4
135.04443	0.3
135.08041	0.2
135.11696	0.2
137.02347	2.0
137.05980	1.3
137.09598	0.7
141.06953	0.4
143.08691	0.2
145.06479	0.7
146.99663	0.3
147.04388	1.5
147.11668	0.3
149.02313	0.2
151.03871	0.3
153.01828	10.8
157.06467	1.3
161.05946	0.4
165.01842	3.5
167.08545	0.3
170.15404	15.3
171.03091	0.2
171.04422	0.9
173.06024	0.3
173.13197	0.3
175.03880	0.3
175.07520	0.3
176.07091	0.4
176.87848	0.2
181.06514	0.3
183.02896	1.9
185.05939	1.1
189.05505	0.4
191.07040	0.3
195.07872	0.2
197.05974	0.2
199.03218	0.2
201.05460	0.3
203.07022	0.5
207.53438	0.2
213.05473	2.9
214.05786	0.2
219.01778	0.2
220.62682	0.1
229.05000	0.6
231.06488	1.5
233.15913	0.2
237.02835	0.6
241.04955	1.7
243.10202	0.2
258.05188	2.0
259.06036	0.7
269.04651	0.3
269.08206	0.3
270.11066	0.2
278.06186	0.4
287.05487	100.0
287.23270	6.3
288.05768	2.2
293.03271	0.2
300.51526	0.2
306.37369	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
54.46249	0.1
55.01864	0.4
55.05510	0.3
56.96553	0.6
57.03431	0.3
57.07060	0.3
58.06588	0.5
63.00047	0.4
65.03918	0.4
67.01852	0.2
67.05501	0.6
68.99792	2.5
69.03419	0.6
69.07053	0.3
69.59405	1.1
71.04981	0.2
78.47201	0.2
79.05486	1.1
81.03422	1.0
81.07059	0.5
83.04993	0.5
84.08118	0.3
85.02891	0.5
85.10191	1.1
87.85839	0.2
91.05486	0.7
93.07045	0.5
95.04980	0.8
95.08588	0.5
97.02853	0.4
97.06527	0.4
98.20869	0.3
98.97568	0.6
98.98446	0.4
103.05469	0.2
105.03377	0.9
105.07038	0.4
107.00694	0.2
107.04942	1.1
107.08610	0.4
109.02849	1.0
109.06577	0.2
109.10168	0.2
111.00816	1.3
111.04446	0.5
113.09647	2.6
115.05405	0.4
116.98599	0.5
117.07011	0.4
119.04939	0.3
119.08582	0.4
121.02866	6.4
121.06486	0.3
121.10134	0.3
125.02393	0.2
127.03947	0.3
128.06209	0.3
129.07010	0.7
131.08572	0.3
133.02812	1.0
133.10085	0.2
135.04416	0.3
135.08098	0.2
137.02339	2.4
137.05949	1.0
137.09567	0.4
141.06989	0.4
143.08524	0.2
145.06462	0.7
147.04419	1.4
147.07979	0.2
149.06021	0.2
149.13272	0.2
151.03893	0.4
153.01826	10.7
157.06499	1.6
161.01219	0.3
161.05946	0.7
165.00574	0.3
165.01855	3.6
167.08505	0.3
167.10779	0.2
169.40897	0.2
170.15405	11.5
171.04413	0.6
173.05914	0.3
176.07051	0.5
177.00693	0.2
183.02905	1.6
184.05167	0.2
185.05992	1.0
189.05463	0.3
193.12282	0.2
197.05992	0.4
201.05507	0.3
203.07062	0.3
213.05461	3.1
215.04820	0.2
215.07162	0.3
227.10719	0.3
229.04921	0.6
229.08611	0.3
231.06577	1.2
237.02783	0.6
241.04909	1.6
258.05273	2.6
259.06024	0.8
263.05542	0.3
269.04370	0.4
269.08057	0.3
269.12589	0.3
287.05493	100.0
287.23270	5.4
288.05847	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	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10882	0.6
63.85098	0.5
69.97282	2.3
103.96758	0.6
119.01908	2.3
131.81137	0.8
143.01932	1.9
149.23409	0.6
161.02977	5.0
161.64502	0.6
184.45811	0.6
220.61697	0.6
287.11017	100.0
288.11356	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	287.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45945	0.4
52.40225	0.4
56.96569	0.7
61.02940	0.5
65.98831	0.5
66.68470	0.5
69.03436	0.9
69.83459	2.4
70.91503	0.5
73.02884	0.6
85.02895	1.9
98.97584	1.1
119.01894	0.7
143.01913	1.2
146.02284	0.5
161.02942	1.7
173.03017	0.6
190.45035	0.5
206.05701	0.5
250.07060	0.4
287.05588	5.9
287.11011	100.0
288.10852	3.9
293.15891	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	287.112
Annotation	Isohomoarbutin
Peak:m/z	Relative Intensity
50.27007	2.1
55.05510	2.5
56.96547	9.2
57.03428	7.1
61.02904	6.5
63.00046	14.0
64.99732	9.7
65.03938	6.5
67.05483	2.6
69.03415	4.9
69.07052	3.1
70.06584	10.2
70.80756	1.8
71.48951	2.4
71.49401	2.7
72.08134	8.2
75.04469	8.1
79.05481	12.4
81.03391	3.1
81.07039	2.2
84.08125	4.7
85.02873	5.9
86.09691	5.5
89.03870	2.6
91.05453	4.6
93.03388	4.2
95.04961	6.7
95.08599	2.0
95.77293	2.1
97.02884	3.3
98.97543	5.2
98.98466	21.6
107.04951	18.8
108.02097	2.2
110.03645	18.7
110.05971	3.4
111.04449	18.1
116.07094	3.4
116.98597	3.5
121.06497	13.8
122.03651	2.7
123.04420	4.2
124.99994	8.6
125.05987	71.0
129.10193	2.7
133.02826	9.4
135.04411	15.5
137.05995	5.2
141.05453	3.9
146.99649	2.4
149.05960	13.7
150.03113	6.6
151.03905	71.7
151.05043	5.9
153.05460	8.2
160.97635	3.8
162.97307	4.5
163.03900	10.1
163.07520	4.0
165.05481	26.0
167.07034	18.4
177.05437	23.4
177.62784	2.5
180.04167	6.6
181.08583	3.0
183.06512	3.5
194.10730	2.2
195.06570	13.8
199.09654	6.9
213.07564	8.3
222.96864	3.4
224.96529	4.2
225.07587	5.6
237.02791	3.2
256.05157	2.2
286.95819	2.7
287.11029	100.0
287.15927	3.8
287.23334	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	287.2368
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
55.01870	1.9
55.05511	11.5
56.96550	4.4
57.03421	2.2
57.07063	4.3
57.46708	1.3
63.00035	2.9
64.99756	2.3
65.03924	1.2
65.92896	1.2
67.05502	17.7
69.03405	1.7
69.07063	15.5
69.44400	1.2
70.06593	1.2
70.75209	2.8
70.75597	2.6
71.04995	1.7
71.08593	1.7
77.53316	1.1
79.05486	13.0
79.59945	1.1
81.03422	2.4
81.07055	35.0
81.14081	1.2
83.04980	1.4
83.08620	6.2
88.07600	1.5
91.05467	12.8
91.10272	1.2
93.07051	19.6
95.04980	1.5
95.08599	31.4
97.06523	7.7
97.10146	3.0
98.98444	4.2
99.08092	1.6
103.05444	1.7
105.07027	30.9
107.08595	26.7
109.06483	2.6
109.10145	24.8
117.07015	7.3
119.08578	30.8
121.10138	19.2
123.08060	2.1
123.11697	7.6
125.00029	1.4
125.09599	2.8
127.11269	1.3
128.06206	2.6
129.07001	7.1
130.07867	1.2
131.08566	19.8
133.10129	18.9
135.08047	2.7
135.11658	8.7
137.13252	2.8
142.07780	3.8
143.08577	18.7
144.09273	2.1
145.10129	25.5
147.11687	18.7
149.09624	2.3
149.13272	9.0
155.08496	1.5
156.09346	3.7
157.10120	21.6
158.10901	2.7
159.11690	23.9
161.13243	18.5
163.14832	3.4
169.10098	1.5
170.10867	1.7
171.11664	17.7
172.12392	1.5
173.13266	19.1
175.14810	8.5
176.04617	1.3
177.12775	2.5
177.16386	2.0
179.14305	5.0
183.11659	3.0
184.12407	1.4
185.13234	19.0
187.14827	11.5
189.16353	4.8
191.07019	9.1
191.10542	1.8
191.14148	2.2
198.14107	1.9
199.14810	25.0
201.16379	10.2
203.14278	3.0
203.17877	3.4
205.15874	2.2
208.96391	1.6
213.16354	26.8
214.17038	3.7
215.17868	3.5
217.15883	3.9
225.16478	3.0
227.17937	14.1
229.19495	13.0
231.17416	5.8
241.19487	5.8
243.21051	2.7
245.18983	2.4
257.22614	1.8
259.24197	2.6
269.15698	1.1
269.19504	1.9
269.22629	63.6
287.05576	10.5
287.12698	5.2
287.16528	6.1
287.20181	8.7
287.23651	100.0
288.24890	2.6
288.28912	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	287.2368
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
55.05509	14.5
57.07056	4.3
67.05509	25.7
69.07076	14.9
69.42339	17.0
79.05494	23.6
81.07056	42.3
83.08609	9.3
86.55231	2.1
91.05482	23.0
93.07045	48.0
95.04988	4.1
95.08604	37.8
97.10171	7.2
101.04903	1.9
105.07030	40.7
107.08594	39.3
109.06571	2.3
109.10139	28.4
116.96783	2.2
117.07014	14.0
119.08577	32.9
121.10142	26.5
123.07999	2.2
123.11692	28.6
125.09604	2.7
128.06203	4.0
129.07004	10.3
131.08563	30.3
133.10118	50.0
134.10463	2.5
135.10725	3.5
135.11688	44.4
137.09605	1.9
137.13229	7.4
139.11183	2.4
142.07756	3.1
143.08546	21.4
144.09366	3.4
145.10132	25.9
147.11662	27.5
149.13225	12.0
151.11180	2.8
157.10120	25.3
158.10938	2.6
159.11708	24.6
161.13255	17.9
163.14827	5.8
165.12767	3.0
169.10080	2.3
170.10831	4.0
171.11694	16.5
173.13251	29.2
175.14812	11.6
185.13229	21.7
187.14818	22.5
189.16376	5.2
199.14819	54.7
201.16354	9.0
203.14285	2.4
211.14830	4.3
213.16400	24.9
214.17177	8.3
215.17986	8.1
227.17920	9.3
229.19609	2.3
240.18680	2.6
241.19528	3.2
243.20941	2.1
260.90732	2.3
269.22623	100.0
270.22952	5.3
287.23672	65.7
307.03287	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	287.2369
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
51.29753	2.4
51.50844	2.3
55.05518	15.7
57.03436	2.3
57.07064	8.4
63.00021	3.0
67.05508	24.1
68.99775	2.8
69.07049	13.7
70.56837	4.6
70.57202	6.0
72.45273	2.1
79.05499	19.1
81.06608	3.0
81.07053	37.4
82.72414	2.3
83.04987	2.3
83.08638	12.0
85.41313	2.4
90.60593	2.6
91.05485	23.5
93.07045	41.2
95.04956	5.7
95.08614	39.4
95.70252	2.4
97.10165	10.4
98.98508	4.5
105.07030	32.1
107.08592	37.1
109.06507	4.0
109.10149	31.2
111.00765	2.9
111.08102	3.0
117.07006	10.8
119.08581	30.4
121.02884	5.7
121.10144	24.5
123.11697	17.7
125.09627	3.6
129.06992	11.4
131.08546	23.5
133.10132	43.4
135.11688	25.7
137.09721	2.4
137.13217	3.8
139.11134	3.6
142.07758	3.7
143.08549	20.1
145.10088	19.2
147.11703	19.0
149.13272	12.2
153.01817	9.4
155.08661	2.6
157.10129	19.7
158.10800	2.8
159.11710	20.2
161.13284	25.9
163.11131	2.9
171.11662	13.6
172.12473	2.9
173.13243	16.2
175.14784	7.6
177.12827	2.7
185.13216	20.3
187.14809	11.2
199.14812	39.3
201.16412	13.0
203.12592	3.2
203.17963	10.2
211.14795	3.9
213.05510	3.6
213.16383	26.6
214.17070	3.3
215.17891	10.5
217.15877	2.7
225.16341	3.9
227.17966	9.6
229.19518	6.8
241.19492	4.0
243.21040	3.6
253.75920	2.3
259.24323	2.7
269.22638	100.0
270.22949	4.3
287.05499	82.5
287.08560	5.2
287.20309	6.2
287.23660	71.8
288.05917	9.1
288.24017	5.5
301.57523	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	288.1708
Annotation	(-)-N-(2-Oxopyrrolidinomethyl)cytisine
Peak:m/z	Relative Intensity
55.05518	2.1
56.05038	2.4
56.96569	0.8
57.03432	0.4
60.04528	0.7
65.03947	0.3
67.05504	1.1
68.05032	0.9
69.03434	0.8
69.07070	0.7
70.06593	4.0
71.23738	0.6
71.24068	0.3
72.08157	7.0
74.06092	0.3
79.05500	7.2
80.05026	1.5
81.03425	0.4
81.07074	2.1
82.06583	1.6
83.04981	0.5
83.07366	0.4
84.08147	42.8
85.02906	0.9
85.06589	0.3
85.08483	0.5
86.06081	1.8
86.09715	3.3
87.04458	0.7
91.05502	0.8
93.07047	0.9
94.06567	0.3
95.08601	0.8
96.08124	1.9
97.02889	0.8
98.06043	3.0
98.09684	1.5
98.97595	0.7
105.07056	1.0
107.04945	0.5
107.08604	1.4
116.98637	0.7
120.04494	2.0
120.08105	0.9
121.10118	0.5
122.09675	32.5
123.10059	0.5
124.11234	50.8
125.11574	0.6
126.05463	0.3
127.03870	0.4
129.04446	0.5
129.10245	4.8
130.06575	0.3
132.04436	1.5
132.10204	1.2
133.10158	0.3
136.07584	1.3
140.10721	0.4
142.12280	100.0
143.12645	1.2
147.05521	3.5
149.07121	1.2
149.09645	0.6
150.05498	0.4
155.84181	0.3
157.09734	1.3
161.07178	0.3
165.05498	1.2
177.00755	0.4
187.08704	0.6
189.00655	0.4
189.06586	0.9
189.12244	0.7
198.14879	0.4
204.06201	0.4
243.14970	1.0
244.15572	0.5
244.88101	0.3
252.16150	1.7
270.04553	0.4
270.16006	8.8
271.14337	0.9
273.80249	0.3
288.05881	1.2
288.17078	53.4
289.17453	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	288.2032
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
51.55727	0.7
55.01876	1.1
55.05525	1.0
56.05036	1.1
56.96563	9.9
57.03440	1.7
58.06601	0.8
58.90764	0.8
60.05341	1.0
60.05649	19.6
61.02924	3.0
68.05014	1.1
69.03433	5.5
69.07069	2.4
69.66567	0.8
70.06590	100.0
71.04997	2.6
71.06931	1.1
71.37029	1.0
72.08152	12.9
72.35384	0.7
73.02911	3.0
74.06073	0.7
77.28463	0.7
80.05013	1.0
81.03416	2.5
82.06564	1.1
84.04497	1.2
84.08147	6.6
84.96020	0.8
85.02901	8.5
86.06062	0.6
86.09705	71.3
87.04449	1.6
87.10072	0.7
88.07635	1.4
89.10796	2.1
95.06101	1.0
96.04464	1.4
97.02879	6.8
97.07677	1.9
98.06052	6.0
98.09708	0.9
98.97579	6.4
99.04465	1.4
100.60368	0.6
101.00884	1.2
104.01289	0.8
106.81963	0.6
108.04490	2.6
108.08115	0.7
109.02871	1.2
110.06055	1.5
110.07139	1.2
110.09695	1.1
112.08730	12.7
112.99126	1.7
114.09150	0.8
115.02323	0.7
115.08705	2.9
116.07085	8.6
116.98643	3.3
119.01911	6.4
120.61322	0.6
121.01608	0.7
124.07621	2.6
126.05527	7.3
126.06626	2.6
126.09156	7.5
127.03839	6.2
127.32334	0.7
128.98615	1.5
129.10242	1.3
130.09747	3.0
131.00166	2.2
131.01909	1.4
131.34366	0.8
133.01726	0.7
133.03453	1.4
134.48506	0.6
134.99641	2.1
136.06181	2.5
137.02934	1.6
138.09160	1.5
140.08206	1.7
140.10661	0.9
143.01843	0.9
146.62910	0.7
146.99695	2.0
147.03171	0.9
148.02826	0.7
148.03885	1.0
149.01157	3.8
149.02866	0.9
150.00818	0.6
154.12236	4.1
155.11829	1.2
156.11345	3.4
157.10861	2.7
157.13385	2.2
158.09219	5.3
158.99615	1.3
161.01215	0.8
161.02969	2.2
161.04483	0.7
163.04391	0.7
165.00635	1.1
166.12364	1.4
169.04436	4.1
169.13425	0.9
170.05176	2.6
170.55363	2.7
172.13329	11.4
173.01337	0.7
174.99120	1.0
175.04462	0.8
175.11905	29.9
177.00751	2.4
177.04268	1.8
178.04913	12.1
178.55098	1.7
183.14952	1.7
185.04269	1.9
185.16521	1.1
186.07602	0.9
186.14906	2.2
187.04594	1.4
189.00739	0.9
189.02345	1.0
189.55690	1.0
190.95363	0.7
193.00252	1.9
193.03900	1.2
203.17516	6.7
207.05231	1.1
207.06989	1.0
208.14511	1.0
211.52223	0.8
212.12802	2.2
215.00392	1.0
217.19249	0.7
219.01764	1.6
221.05150	1.6
225.17151	2.2
226.19116	4.3
228.17059	2.9
229.15460	4.6
237.02803	3.0
253.16666	1.0
254.14969	0.9
255.03870	0.8
257.22244	1.7
263.06088	1.0
271.17703	12.1
271.20663	1.1
272.06433	1.2
279.07251	1.1
288.10513	3.9
288.20291	87.0
288.26291	9.9
289.09088	5.3
289.17596	0.8
289.20685	1.4
295.06964	0.8
307.08655	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	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03945	0.5
53.08554	0.4
55.01870	0.5
55.05511	0.6
56.96557	1.5
57.03439	0.6
60.04511	0.5
61.02918	0.8
63.00019	0.5
64.14137	0.4
64.99756	0.8
69.03425	2.4
69.07074	0.6
69.90611	0.7
69.91021	1.5
70.06587	0.9
70.20022	0.3
72.08147	1.3
79.05479	0.6
80.59600	0.3
81.03432	1.0
81.07086	0.4
84.08158	0.5
85.02913	6.5
86.09715	0.9
87.04462	0.6
91.03972	0.4
91.05492	0.5
92.07921	0.3
97.02883	2.0
98.97569	0.8
98.98446	0.8
99.04459	0.7
107.04894	0.4
109.02859	1.3
116.98636	0.6
117.06959	0.3
118.35195	0.3
124.07613	0.4
127.03917	100.0
128.04236	1.2
130.06531	0.6
131.01910	0.6
134.99626	0.5
137.06001	0.5
140.93300	0.3
145.04892	1.2
146.44360	0.4
154.12308	0.4
158.44037	0.5
172.13356	0.6
173.12941	0.4
237.02913	0.8
289.12567	31.9
289.17767	0.9
290.13559	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
53.03953	0.5
55.00509	0.4
55.01854	0.8
55.79491	0.4
56.96555	2.2
57.03410	0.5
58.06559	0.4
60.04504	0.5
60.05644	0.9
63.00034	0.6
64.99723	1.3
67.05477	0.8
68.05009	0.5
69.03414	1.5
69.07066	0.8
70.06600	3.7
70.80051	1.4
71.06889	0.5
72.08132	1.8
81.03399	1.3
81.07035	0.9
84.04487	0.7
84.08128	2.4
84.96047	0.5
85.02907	3.0
86.09714	2.7
87.10109	0.6
93.07058	0.6
95.04947	0.5
97.02897	1.9
97.81426	0.5
98.97591	1.7
98.98452	1.6
100.07585	0.6
109.02876	0.7
116.98643	0.9
119.01930	0.9
120.08105	0.6
121.06540	0.5
127.03927	20.6
130.06525	0.5
131.01866	0.8
134.99690	0.9
145.03500	0.7
145.04936	0.7
146.99600	0.9
173.02864	0.5
175.11917	0.5
177.00848	0.6
186.02158	0.6
187.08090	0.6
199.05452	0.5
199.08231	1.1
205.09052	0.6
217.09222	1.1
221.05069	0.7
237.02937	0.5
243.04314	0.7
243.08006	0.6
289.09042	7.0
289.12561	100.0
290.13037	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	289.1434
Annotation	Chloranthalactone C
Peak:m/z	Relative Intensity
53.03945	3.5
55.01863	9.6
55.05514	24.5
57.03444	16.5
57.07063	3.2
63.83127	2.3
65.03934	4.2
66.49203	2.3
67.05513	26.5
69.03420	10.5
69.07086	13.9
69.07391	2.7
69.95119	8.3
71.04993	4.7
79.05487	23.8
81.03413	7.0
81.07063	28.1
83.01344	3.6
83.04980	7.7
83.08613	5.5
87.04452	4.6
91.05483	71.5
91.06364	2.8
93.07053	25.2
95.04967	15.3
95.08605	21.1
97.02901	4.1
97.06527	7.3
97.10210	3.3
103.05476	11.7
105.03442	2.7
105.07028	52.3
107.04954	11.0
107.08618	13.3
108.57661	2.5
109.06527	11.8
109.10151	7.1
111.04382	3.0
112.02168	5.7
112.03939	2.7
115.03953	3.3
115.05450	12.9
115.62852	2.8
116.06239	5.4
117.07021	34.1
117.81145	2.5
119.04955	5.5
119.08593	23.6
121.06497	10.0
121.10141	6.0
123.04452	3.8
123.08044	4.6
128.06209	25.2
128.06929	2.6
129.07018	33.5
130.07785	7.6
130.28656	2.7
131.04922	9.8
131.08566	53.4
133.06473	24.6
133.10141	13.3
135.04468	5.3
135.08006	12.7
135.11653	4.8
136.03302	2.5
137.06032	3.0
137.09634	36.1
139.03888	5.4
140.01631	3.4
141.06985	49.5
142.07768	12.4
143.04922	2.8
143.08580	52.3
143.09702	3.0
144.05652	3.9
145.06519	20.4
145.10126	25.7
146.05522	3.0
146.07033	2.2
147.04396	2.6
147.08043	16.2
147.11714	3.9
149.05971	7.1
149.09586	3.6
149.17387	2.3
151.07581	3.4
153.05539	2.8
153.06989	11.6
154.07779	9.2
155.08571	37.5
156.09312	3.2
157.06519	10.5
157.10187	17.9
158.07289	3.3
159.04466	5.7
159.08051	54.0
159.11703	10.8
161.06036	14.9
161.07254	2.7
161.09628	13.5
161.13116	2.9
163.03748	2.8
163.07576	3.6
165.05475	12.0
165.06956	6.4
167.08601	8.0
168.09331	18.1
169.06462	11.4
169.10143	14.8
171.08072	7.9
171.11708	11.1
173.06073	5.9
173.09622	12.7
173.13310	16.7
175.07536	8.2
175.11237	4.7
177.09105	4.4
178.07767	6.1
181.06517	4.2
182.07271	5.9
183.08061	4.1
183.11694	48.4
185.09636	10.3
185.13220	5.2
186.02211	7.9
187.07558	10.2
187.11186	23.0
189.05487	10.1
189.12787	4.5
191.07014	6.9
191.10738	4.0
193.08537	8.4
193.10168	8.6
196.08862	4.5
197.05980	2.9
197.09692	3.8
199.11177	6.6
201.09096	6.9
201.12733	37.5
203.10789	2.7
211.11185	36.6
213.08984	2.7
213.12801	6.2
215.10681	3.9
215.14383	2.9
217.08623	5.1
229.12233	56.2
239.10760	17.2
243.04349	6.2
243.13805	8.9
253.15854	7.6
257.11743	63.3
261.14801	5.6
261.18567	5.8
271.13724	17.6
271.16489	16.0
275.12686	15.0
289.10947	5.8
289.14325	100.0
289.17950	69.5
289.21371	6.5
291.81799	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	289.1798
Annotation	Estriol
Peak:m/z	Relative Intensity
53.03940	2.4
55.01875	7.1
55.05511	39.3
57.03167	2.6
57.03434	31.9
57.07064	2.2
62.36833	1.6
65.03939	2.2
67.05505	22.1
69.03412	6.4
69.07066	9.7
70.44255	6.1
71.05000	2.8
77.47272	1.4
79.05495	35.9
81.03406	9.3
81.07053	21.6
83.04977	5.0
83.08617	13.7
91.04919	2.2
91.05480	33.0
93.07040	19.7
95.04963	12.4
95.08620	8.2
97.06516	3.2
97.10171	22.4
105.07028	22.6
107.04954	36.7
107.08600	17.6
109.06534	11.4
109.10153	5.3
111.08099	3.3
113.06007	3.7
115.05482	8.2
117.07014	37.4
117.81505	1.5
118.07375	1.6
119.04919	2.4
119.08588	39.1
121.06503	16.4
121.10120	4.7
121.66021	1.4
123.08047	3.8
125.09624	16.1
128.06233	4.2
129.03038	1.6
129.06978	8.8
131.04961	2.8
131.08566	12.8
133.06525	9.6
133.10124	6.1
135.08047	24.2
135.11734	1.6
137.09578	4.2
141.06996	2.0
143.08539	10.6
143.10605	1.6
145.06496	51.9
145.10107	8.3
147.08034	22.9
149.05981	8.3
149.09612	3.5
151.07538	2.4
153.09097	2.7
155.08568	4.4
157.10130	6.7
159.06726	2.2
159.08043	42.3
159.11711	2.9
161.09660	9.5
163.07574	8.8
163.11214	2.5
165.09134	2.5
169.10118	3.8
171.10150	1.7
171.11681	5.2
173.09615	8.4
175.07573	1.5
175.11139	3.3
177.09109	6.0
177.12804	1.7
181.10065	1.8
183.11702	2.0
185.09586	2.0
185.13229	1.6
187.11182	3.3
189.09604	1.4
189.11179	9.9
189.12790	4.8
191.10649	5.0
193.12198	2.6
199.11157	3.2
211.14815	1.6
215.14267	3.8
217.12242	6.5
225.16367	4.6
233.15381	10.9
243.17442	10.2
253.15843	10.5
261.18481	5.9
271.16934	66.9
284.13974	4.3
289.17972	100.0
290.18399	2.9
293.00211	1.4
310.43793	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	289.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01872	9.9
55.05510	49.9
56.96547	1.6
57.03419	3.4
57.07061	1.7
59.04986	1.3
59.06118	1.2
67.05503	23.3
69.03437	6.2
69.07067	11.0
69.53156	6.7
71.04981	1.6
77.03899	0.9
77.57893	0.9
78.35145	0.9
79.05495	32.6
81.03397	3.8
81.06618	1.7
81.07056	21.8
83.04983	5.3
83.08615	18.2
85.06536	1.3
88.07606	2.1
89.07124	1.8
91.05479	32.2
93.07040	15.6
95.04977	5.3
95.08621	8.1
97.06504	3.8
97.10165	27.1
101.09637	1.3
103.05445	1.3
105.07027	18.3
106.08612	1.0
107.04953	10.4
107.08593	18.5
107.38651	1.0
109.06472	3.8
109.10168	6.1
111.08066	2.2
115.05447	10.7
117.07018	44.9
119.04929	1.8
119.08582	30.0
120.08910	1.3
121.02869	0.9
121.06514	5.4
121.09733	4.3
123.04351	1.4
123.08042	2.4
125.08808	1.7
125.09635	22.5
126.09962	1.0
127.03922	1.0
128.06197	4.1
129.06979	8.3
130.07739	1.4
131.04901	2.0
131.07802	1.1
131.08572	13.8
132.05707	1.1
133.06503	9.0
133.10124	9.7
135.08046	14.9
135.11803	1.3
137.09569	2.2
141.06946	3.3
142.07755	3.0
143.08557	12.9
144.05620	1.4
144.09006	1.0
145.06485	70.4
145.10103	9.5
146.07152	1.8
147.08043	23.9
147.11652	1.8
149.05942	2.0
149.09586	2.4
151.07533	2.2
153.06990	1.1
153.09116	5.3
154.07753	2.6
155.08543	6.4
157.10091	9.2
159.08041	23.1
159.11652	3.5
160.08856	5.8
161.09605	14.3
163.07541	9.1
163.11124	1.2
169.10123	6.1
171.08023	1.7
171.10207	1.6
171.11653	2.4
173.09634	9.0
173.13135	1.8
174.10243	0.9
175.11122	3.7
177.09143	1.2
181.10011	1.1
183.11624	4.0
185.09570	1.2
187.11087	2.8
187.14856	0.9
189.09679	1.1
189.11223	15.5
193.10184	1.4
197.09642	1.0
197.13245	1.9
201.12650	1.6
211.11153	1.7
211.14688	1.3
213.23210	1.1
218.11040	1.3
225.16301	3.6
235.14784	2.2
243.17407	9.6
245.13405	1.1
247.14754	1.1
253.15877	7.6
259.14682	1.9
261.18576	2.0
271.16922	70.0
272.17261	2.0
274.17194	2.5
289.17880	100.0
289.28708	18.4
290.18179	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	289.1796
Annotation	Estriol
Peak:m/z	Relative Intensity
53.03928	2.4
55.01872	9.9
55.05510	49.9
56.96547	1.6
57.03419	3.4
57.07061	1.7
59.04986	1.3
59.06118	1.2
67.05503	23.3
69.03437	6.2
69.07067	11.0
69.53156	6.7
71.04981	1.6
77.03899	0.9
77.57893	0.9
78.35145	0.9
79.05495	32.6
81.03397	3.8
81.06618	1.7
81.07056	21.8
83.04983	5.3
83.08615	18.2
85.06536	1.3
88.07606	2.1
89.07124	1.8
91.05479	32.2
93.07040	15.6
95.04977	5.3
95.08621	8.1
97.06504	3.8
97.10165	27.1
101.09637	1.3
103.05445	1.3
105.07027	18.3
106.08612	1.0
107.04953	10.4
107.08593	18.5
107.38651	1.0
109.06472	3.8
109.10168	6.1
111.08066	2.2
115.05447	10.7
117.07018	44.9
119.04929	1.8
119.08582	30.0
120.08910	1.3
121.02869	0.9
121.06514	5.4
121.09733	4.3
123.04351	1.4
123.08042	2.4
125.08808	1.7
125.09635	22.5
126.09962	1.0
127.03922	1.0
128.06197	4.1
129.06979	8.3
130.07739	1.4
131.04901	2.0
131.07802	1.1
131.08572	13.8
132.05707	1.1
133.06503	9.0
133.10124	9.7
135.08046	14.9
135.11803	1.3
137.09569	2.2
141.06946	3.3
142.07755	3.0
143.08557	12.9
144.05620	1.4
144.09006	1.0
145.06485	70.4
145.10103	9.5
146.07152	1.8
147.08043	23.9
147.11652	1.8
149.05942	2.0
149.09586	2.4
151.07533	2.2
153.06990	1.1
153.09116	5.3
154.07753	2.6
155.08543	6.4
157.10091	9.2
159.08041	23.1
159.11652	3.5
160.08856	5.8
161.09605	14.3
163.07541	9.1
163.11124	1.2
169.10123	6.1
171.08023	1.7
171.10207	1.6
171.11653	2.4
173.09634	9.0
173.13135	1.8
174.10243	0.9
175.11122	3.7
177.09143	1.2
181.10011	1.1
183.11624	4.0
185.09570	1.2
187.11087	2.8
187.14856	0.9
189.09679	1.1
189.11223	15.5
193.10184	1.4
197.09642	1.0
197.13245	1.9
201.12650	1.6
211.11153	1.7
211.14688	1.3
213.23210	1.1
218.11040	1.3
225.16301	3.6
235.14784	2.2
243.17407	9.6
245.13405	1.1
247.14754	1.1
253.15877	7.6
259.14682	1.9
261.18576	2.0
271.16922	70.0
272.17261	2.0
274.17194	2.5
289.17880	100.0
289.28708	18.4
290.18179	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	289.1796
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
53.03934	6.0
55.01870	10.3
55.05511	30.3
57.03214	1.5
57.03438	16.1
57.07070	1.6
65.03924	3.3
67.05505	51.6
69.03439	6.8
69.07071	13.9
70.00596	2.6
70.00991	3.0
71.04995	3.2
72.69965	1.1
73.81557	1.3
74.01184	1.4
79.05493	37.9
80.15036	1.3
81.03413	9.9
81.07058	35.2
83.04507	2.0
83.04978	31.5
83.08607	13.0
85.06517	3.1
87.04462	1.8
91.05478	54.4
93.07041	62.5
95.04971	26.2
95.08617	19.6
95.80750	1.4
97.06516	4.5
97.10156	3.8
98.20870	1.6
103.05474	7.9
105.03374	2.3
105.04552	1.5
105.07026	35.6
107.04952	14.6
107.08597	18.4
109.06526	11.9
109.10154	24.0
111.08076	4.7
115.05437	5.5
116.06276	1.6
117.07037	17.3
119.04904	3.6
119.08582	22.6
119.98048	1.4
121.02855	4.0
121.06503	54.1
121.10133	11.7
123.04449	1.5
123.08048	5.0
125.09683	3.1
128.06227	4.4
129.06990	10.8
130.07806	1.4
131.04929	3.0
131.07610	2.3
131.08560	28.7
132.05737	2.5
133.06494	14.4
133.10138	13.1
135.04425	1.6
135.07002	2.2
135.08054	40.0
135.11612	3.1
137.05920	1.3
137.09648	9.9
141.06950	6.3
142.07794	2.5
143.08569	9.9
144.05685	3.7
145.06485	11.7
145.10107	12.9
147.08055	16.3
147.11674	3.5
149.06003	8.1
149.09625	12.9
151.07495	4.1
153.09032	1.9
155.08568	6.4
157.06544	1.6
157.10114	6.3
159.08043	21.5
159.11676	4.8
160.08853	2.0
161.09625	19.4
161.13254	2.5
163.07538	29.1
163.11180	2.7
165.09119	2.5
167.10637	3.2
169.10143	6.4
171.11710	5.2
173.09607	13.6
173.11819	6.6
173.13156	2.1
174.10222	1.5
175.09711	1.8
175.11198	5.7
177.09088	11.0
177.12735	1.5
179.10713	1.5
183.11696	5.0
185.09560	3.1
186.02177	2.2
187.11189	6.9
187.14819	1.6
189.12708	3.3
191.10654	4.4
195.10179	1.3
197.09647	2.6
197.13240	3.8
199.11215	3.3
206.65559	1.4
211.11295	1.7
211.14709	2.2
215.14349	5.8
217.12218	6.0
217.53539	1.4
225.16335	3.0
229.15874	2.5
231.13794	2.4
233.15344	2.8
243.17438	13.4
253.16006	6.5
261.18439	6.2
271.16943	26.9
289.17972	100.0
290.18317	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	289.1798
Annotation	7alpha-hydroxyestradiol
Peak:m/z	Relative Intensity
54.29918	1.5
55.01875	12.5
55.05511	60.3
56.96544	2.1
57.03435	3.8
57.07048	2.0
57.70274	1.5
59.04981	3.0
67.05508	29.8
68.99776	2.6
69.03409	3.7
69.07079	13.5
79.05492	37.7
80.12751	1.5
81.07059	24.4
83.04965	5.0
83.08623	15.9
85.06530	2.5
88.07612	7.5
91.05494	20.2
93.07037	18.9
95.04939	3.6
95.08618	7.8
97.06534	2.4
97.10169	28.0
98.21478	4.3
105.07043	9.1
106.08646	5.6
107.05006	3.3
107.08569	23.5
109.06517	1.8
109.10149	9.2
111.08067	3.6
115.05460	19.0
117.07018	84.1
119.08585	17.3
121.06468	1.9
123.04420	5.1
123.08044	2.1
125.09628	21.7
128.06181	2.7
129.06992	7.5
131.08554	12.7
133.10139	4.6
135.08104	8.5
137.09668	2.3
141.06981	3.3
142.07794	4.1
143.08557	20.5
145.06487	81.8
145.10155	8.9
147.08014	7.0
153.09097	5.0
155.08565	6.3
157.10118	13.1
159.08032	5.5
159.11707	3.6
163.07562	5.1
165.09116	3.8
169.10130	5.5
170.66438	1.6
171.11688	2.5
173.09549	2.5
175.11137	1.8
177.09175	4.0
183.11713	5.6
187.11153	3.2
189.11255	8.7
191.10629	2.2
193.12349	2.2
209.13324	2.3
211.14709	2.2
219.10204	10.7
225.16376	10.2
235.14792	5.6
243.17538	11.1
253.15887	5.6
261.18365	2.0
267.33664	2.0
271.16919	100.0
272.17154	3.5
289.17993	26.3
289.21075	3.3
289.29285	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	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.06514	1.8
52.61079	1.8
52.92807	2.0
53.03919	2.0
55.01866	3.0
55.05519	11.3
57.03446	2.2
57.07061	6.0
59.04989	2.9
63.56377	2.4
63.64648	2.0
67.05506	16.6
67.40932	2.2
69.03407	4.5
69.07066	33.2
71.49889	3.4
79.05486	12.3
81.06612	2.6
81.07059	44.0
83.04984	2.4
83.08601	8.9
85.06541	6.6
91.05479	13.9
93.07050	18.7
95.05015	2.7
95.05783	1.8
95.08603	39.0
97.10134	3.5
99.08083	2.6
105.07027	22.2
107.04942	4.4
107.08588	24.7
109.06499	6.2
109.10156	32.0
111.08070	2.6
111.11733	5.2
117.06973	3.4
119.07809	2.8
119.08588	25.2
121.06498	7.0
121.09513	1.7
121.10158	20.6
123.08070	8.3
123.11698	23.0
125.09595	5.0
125.13282	2.7
129.07024	2.9
131.08586	9.5
133.10130	13.2
135.08044	7.3
135.11690	17.9
137.09610	16.7
137.13223	9.1
139.11188	3.1
145.06458	2.3
145.10109	8.6
147.08029	6.0
147.11684	14.6
149.09642	2.8
149.13275	13.9
149.86911	2.2
151.11166	22.8
151.14796	3.5
157.10133	2.8
159.11674	8.6
161.13249	13.6
163.07500	2.7
163.11197	5.3
163.14822	12.5
169.75415	1.9
173.09583	1.9
173.13229	7.9
175.14850	9.9
177.12794	11.2
177.16379	7.4
179.14305	4.6
187.14754	6.6
189.16368	7.7
191.14233	4.7
201.16397	7.7
205.15889	5.7
215.17911	7.7
229.19437	2.4
233.18939	3.6
271.16940	3.2
271.24200	37.0
289.17960	19.7
289.21884	4.7
289.25226	100.0
290.25644	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	291.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40040	0.6
55.09072	0.5
56.96566	100.0
61.02932	0.9
71.48193	0.6
71.48533	0.7
71.95251	1.8
73.02933	0.8
74.97614	1.6
81.30538	0.6
84.96026	5.3
85.02972	0.6
88.46001	0.6
98.97582	46.5
101.00912	0.9
101.39367	0.6
106.98115	0.7
110.97580	0.8
112.99110	2.0
115.00684	0.7
116.98619	35.6
119.01906	4.8
123.01195	1.5
124.99117	19.5
127.00677	4.1
128.98593	1.2
131.00185	4.5
131.01886	1.3
133.01743	0.7
133.03464	3.9
133.54048	0.6
134.99658	15.7
137.02921	1.2
139.00659	2.2
140.98552	1.0
141.02240	3.5
143.00162	59.9
145.01721	3.5
145.03491	0.8
149.01224	2.7
151.00645	2.0
151.04561	0.7
152.98613	5.6
153.00682	2.7
156.98108	1.0
157.01695	3.0
158.99718	1.2
159.03291	6.6
161.01221	55.3
162.99294	0.8
167.00180	3.1
167.02072	0.7
167.52995	0.7
168.98128	0.8
169.01736	6.2
170.99652	26.4
173.02907	0.7
174.99200	0.8
175.02699	0.8
175.53610	0.7
177.00777	1.2
177.04376	1.3
179.02289	7.6
179.03815	1.1
184.02777	1.0
185.01221	26.8
186.99188	2.8
187.02757	9.6
189.00713	48.3
191.03928	0.8
193.50612	0.6
194.99690	2.2
196.04056	0.7
201.00728	1.8
201.02411	1.4
203.02269	26.7
205.00203	7.8
205.03809	2.2
207.01778	11.0
211.02684	1.2
212.02322	1.2
213.00702	21.4
218.54704	3.5
219.01654	1.4
219.03300	5.5
219.54475	0.8
221.03345	7.2
221.05258	1.1
223.01201	1.9
226.03789	0.6
227.55217	0.8
229.03822	1.1
231.01772	34.7
245.03302	2.6
247.01256	4.6
249.02820	42.6
254.03279	1.3
255.01711	0.9
255.03944	0.8
263.04211	5.0
265.02274	1.1
267.03857	25.0
273.02841	9.6
285.04935	17.7
291.03827	44.0
303.05997	1.4
309.04913	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	291.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01867	1.3
55.05502	0.4
56.05027	0.2
56.96567	8.8
57.03436	3.1
58.06590	0.3
59.04996	0.3
59.81873	0.1
60.04519	0.6
61.02927	1.8
67.05500	0.4
68.05013	0.2
69.03429	3.8
69.07074	0.2
70.02952	0.1
70.03766	0.2
70.06586	1.5
70.61928	0.4
70.98119	0.2
71.01365	0.7
71.04988	1.0
71.06929	0.2
71.95238	0.2
72.04512	0.3
72.08153	0.9
73.02922	2.2
73.08468	0.1
74.06071	0.3
74.97596	0.4
75.04492	0.2
77.00879	0.2
79.05506	0.2
80.05017	0.2
81.03422	1.4
82.06593	0.7
83.01334	0.2
83.04970	0.5
83.06911	0.2
84.04495	0.5
84.08150	2.3
84.96043	1.4
85.02910	6.0
85.06548	0.2
85.08475	0.2
86.03233	0.4
86.06065	0.4
86.09710	0.7
87.04472	1.0
87.10017	0.2
88.99135	0.2
91.03946	0.3
94.06551	0.2
95.00769	0.1
95.02509	0.2
95.04977	0.2
96.01553	0.2
96.04510	0.4
96.08133	0.3
97.02392	0.2
97.02895	4.3
97.06543	0.3
98.03206	0.2
98.06052	0.3
98.09701	0.2
98.97584	5.3
99.04456	0.7
100.07629	0.4
100.99152	0.3
101.00872	0.5
101.02374	0.2
102.05515	0.2
102.97037	0.5
103.00642	0.2
103.02456	1.0
103.03956	0.3
104.01273	0.3
106.02863	0.9
108.08085	0.1
109.02882	0.7
109.03991	0.3
110.01270	0.5
110.06022	0.2
110.07153	0.3
110.09688	0.1
110.97567	0.8
111.02039	0.2
112.05099	2.9
112.07613	0.2
112.11285	0.2
112.99126	1.7
113.03485	1.4
114.03865	0.2
114.05499	0.3
114.09164	0.3
115.02435	0.3
115.04012	0.8
116.07085	0.6
116.10753	0.2
116.52866	0.4
116.98624	5.1
117.02065	0.2
117.04024	0.2
118.02828	0.2
118.11803	0.1
119.00170	0.6
119.01916	3.7
119.03647	0.1
119.08545	0.1
120.01997	0.2
120.08104	0.5
120.98040	0.2
121.01666	1.4
121.02417	0.2
121.03491	0.8
122.01341	0.2
122.06059	0.2
124.02821	0.2
124.99118	0.6
125.03613	0.2
126.09116	0.2
127.00706	0.2
127.02464	0.2
127.03955	1.1
128.02310	0.5
128.04352	0.1
128.07079	0.5
128.98615	1.3
129.03973	0.3
129.05278	0.4
129.06570	0.3
129.07410	0.3
129.10231	0.7
130.05011	0.2
130.08643	1.0
130.09604	0.2
130.12274	0.3
131.00180	4.2
131.01869	1.8
131.03516	0.2
133.01724	0.5
133.03448	1.7
133.04958	1.0
134.99661	3.9
135.03191	0.4
135.05057	0.4
136.07593	0.3
137.00133	0.2
137.01192	0.2
137.02928	1.0
137.53244	0.1
138.09192	0.1
138.11546	0.2
139.02698	0.6
139.12352	0.2
140.02298	0.9
140.05031	0.1
140.07080	0.3
140.52448	0.2
141.06544	0.2
142.08568	0.1
143.00177	2.0
143.01955	0.4
144.98074	0.2
145.01732	1.0
145.03473	1.4
145.04955	0.5
146.08099	0.2
146.99654	1.9
147.01418	0.2
147.03185	0.3
147.05029	2.5
147.07611	0.1
148.03853	0.1
149.01227	3.9
149.02908	1.3
149.04695	0.2
151.02628	0.3
151.04539	0.5
152.05711	0.2
152.07074	0.2
153.00691	0.6
153.05821	0.1
153.95558	0.1
154.03807	0.3
155.01878	0.7
155.05638	0.1
157.01605	0.3
157.03500	0.5
158.08160	0.2
158.99680	1.2
159.03265	0.3
159.05035	0.6
159.06416	0.2
159.07690	0.2
160.07162	0.5
161.01233	4.5
161.02948	1.5
162.03078	0.2
162.99165	0.9
163.02769	1.8
163.04468	0.6
163.06360	0.1
165.00778	1.0
165.06108	1.6
167.02306	0.6
168.03667	0.3
168.53772	0.3
169.04414	4.2
169.54620	0.3
170.99715	0.9
171.01094	0.1
171.05034	1.2
171.55583	0.5
172.02827	0.3
173.01239	1.4
173.02969	1.3
173.06607	0.4
175.03027	0.9
175.04338	1.0
177.00726	2.7
177.04173	1.4
177.05714	0.2
177.54335	1.5
178.04938	16.6
178.55086	1.3
179.02312	1.0
179.54393	0.4
180.04659	0.3
180.54753	0.3
180.56154	0.2
181.00136	0.1
181.03780	0.6
183.05051	0.4
184.02983	0.2
184.04758	0.3
185.01212	0.4
185.02863	0.3
185.06676	0.3
186.99190	0.4
187.02789	0.7
187.04388	0.3
188.54955	1.3
189.00737	1.8
189.02441	0.4
189.04440	0.2
189.06114	2.6
189.55724	1.0
190.03798	0.2
190.06090	0.2
190.85118	0.1
190.98660	0.2
191.02261	2.2
191.03918	0.2
192.06221	0.2
193.00273	0.3
193.03815	1.0
195.01788	0.5
196.02718	0.2
197.04008	0.2
198.06221	0.5
199.04477	0.3
199.06311	0.1
201.00691	0.4
201.04335	0.2
201.06071	2.7
203.02263	0.5
203.04060	0.4
203.07649	0.6
205.00095	0.9
205.02055	0.2
205.03865	0.4
207.01736	0.7
207.05263	0.2
208.99672	0.2
209.03287	0.2
210.07236	0.2
210.56374	0.1
211.03090	0.2
211.04996	0.7
213.00693	0.3
214.03844	0.6
215.07695	0.2
216.07274	0.3
217.00197	0.3
217.02043	0.2
219.01743	1.7
219.07210	0.2
221.03229	0.2
221.05080	1.5
223.01263	1.2
223.04938	0.2
224.04941	0.1
224.56654	0.5
225.05887	2.4
225.55920	0.3
228.89146	0.2
231.01735	0.8
231.07184	0.5
232.04901	0.2
233.03375	0.5
235.04822	0.2
237.02803	3.1
238.03148	0.3
241.02220	0.2
243.07140	0.3
245.05203	0.2
247.02940	0.2
247.06601	0.4
248.99226	0.5
249.02783	1.2
255.04120	0.2
255.10696	0.2
259.06802	0.2
263.04337	0.3
267.00275	0.7
267.03937	0.5
273.02982	0.3
273.08575	0.2
273.11667	0.6
277.04153	0.2
279.03943	0.4
281.05389	0.5
285.04877	0.2
290.58987	0.1
291.10498	100.0
291.58826	0.2
292.10870	2.0
295.07004	0.2
309.05011	0.7
309.10263	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	291.105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	3.2
59.26035	0.5
70.05045	2.2
70.05463	1.1
78.15862	0.5
90.76651	0.6
98.97582	1.7
106.31452	0.5
116.98631	1.7
117.67336	0.7
119.01883	0.6
124.99123	0.6
143.00156	1.5
143.84563	0.6
148.65860	0.5
161.01201	0.6
177.00690	0.7
185.01355	0.6
189.00792	1.5
218.07581	0.5
231.01610	0.7
249.02740	1.1
267.04004	0.7
291.10522	100.0
299.00925	0.5
309.05063	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	291.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01871	3.3
55.05510	3.9
57.03437	6.1
59.05001	1.8
61.02932	4.5
67.05508	4.3
69.03424	1.7
69.07068	37.5
70.02100	0.5
70.75263	1.4
71.04983	1.0
79.05036	0.9
79.05495	18.2
81.03398	1.5
81.07065	5.1
83.04967	0.9
83.08578	0.7
85.02912	0.6
85.06548	2.3
87.08109	1.6
89.03913	7.4
91.05499	2.5
93.07039	1.6
95.04955	2.6
95.08601	1.4
97.06532	90.5
98.06918	0.9
98.97570	0.8
103.05483	1.5
105.03399	1.3
105.07039	1.8
107.04959	6.5
107.08568	0.6
109.06494	0.7
109.10155	1.3
110.02532	0.5
111.08077	2.1
115.05438	1.1
117.03386	8.3
117.06981	0.7
119.04948	0.8
119.08570	1.3
121.06491	0.7
121.10133	0.8
123.08039	1.1
128.06195	0.6
129.07004	1.0
129.09114	3.8
131.04938	1.0
131.08546	1.5
133.02844	7.5
133.10155	1.2
135.04404	12.9
135.08051	1.4
137.09598	0.8
141.06996	1.2
143.08554	0.8
145.02843	8.2
145.06497	0.7
145.10121	1.4
147.04433	1.4
147.11627	0.7
149.09636	1.9
151.03815	0.6
153.05504	0.7
157.06535	0.8
159.04425	10.0
159.08015	0.9
159.11639	0.6
161.02348	35.5
163.03900	57.2
163.11093	0.6
168.09824	0.6
169.06427	0.9
173.02347	73.3
174.02692	1.5
177.05452	1.0
185.06021	4.9
186.03104	1.9
187.03908	1.8
187.07561	1.3
189.05472	0.8
191.03404	2.5
197.06061	1.2
213.09109	1.1
215.07025	100.0
216.07475	1.5
223.07291	0.7
233.08054	2.5
241.08611	7.3
249.11362	0.8
259.09631	8.7
273.11258	1.9
273.18509	1.1
280.86230	0.7
291.12280	5.5
291.19388	4.0
313.82483	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	291.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01872	3.1
55.05515	3.4
56.96566	0.9
57.03437	6.0
57.07066	0.6
59.04996	1.2
61.02930	3.3
61.91678	0.4
67.05514	4.0
69.03431	1.2
69.07069	27.5
69.22414	3.3
69.22835	1.7
71.04994	2.0
78.10876	0.5
78.24231	0.5
79.05494	16.0
81.03425	2.2
81.07057	5.6
83.04986	0.7
85.06525	1.4
86.32530	0.4
87.04450	0.6
87.08109	1.1
89.03912	6.5
89.06841	0.4
91.05479	3.8
93.07054	2.3
95.04964	3.8
95.08624	2.7
97.06531	68.5
98.97587	0.9
103.05475	1.0
105.03393	1.4
105.04523	0.6
105.07030	3.6
107.04965	8.4
107.08574	2.8
109.06531	1.0
109.10162	1.1
111.08067	3.9
112.08820	1.0
115.05430	1.1
116.98609	0.9
117.03380	6.6
117.07008	1.0
119.08570	2.3
121.06497	0.8
121.10126	1.4
123.08065	0.9
128.06166	0.6
128.98628	0.7
129.07030	1.7
129.09113	3.3
131.04880	0.7
131.08546	2.1
133.02863	5.7
133.06477	0.5
133.10098	1.5
134.99687	0.6
135.04414	9.5
135.08055	1.5
135.11703	1.0
137.09628	1.2
141.06966	0.6
143.08571	1.4
144.05666	0.6
145.02863	5.7
145.10133	2.1
146.99615	0.6
147.04404	2.2
149.09642	3.2
153.05472	0.8
157.06502	1.1
157.10143	0.9
159.04424	7.8
159.08032	1.0
159.11674	1.0
161.01015	1.3
161.02348	31.0
163.03905	40.8
169.06459	0.8
173.02341	69.9
174.02667	0.8
177.05502	0.7
177.12587	0.6
185.05963	3.6
185.09607	0.7
186.03064	2.7
187.03960	1.1
187.07501	1.8
189.00668	0.8
189.05499	1.0
191.03354	2.6
197.05956	1.6
199.03922	1.3
203.08592	0.8
213.09035	1.0
215.07025	100.0
216.07378	1.5
217.04930	0.7
231.08054	0.7
233.08093	2.2
241.08640	4.7
248.08232	0.9
249.11217	1.7
259.09619	7.9
260.08255	0.8
273.11136	1.8
273.18478	2.0
291.09988	2.3
291.12354	3.0
291.19525	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	291.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21790	0.7
53.03957	1.2
53.56178	0.6
55.01871	4.7
55.05508	9.9
56.96558	1.6
57.03444	8.2
59.05002	2.1
61.02928	2.5
67.05506	10.8
67.05858	1.1
69.03426	2.2
69.07071	34.7
71.04990	3.0
71.33894	0.7
77.03951	1.1
79.05495	20.9
80.13958	0.6
81.03419	3.1
81.07059	12.7
83.04988	1.6
83.08613	2.4
85.02897	0.9
85.06551	2.1
86.06054	0.7
87.04448	0.8
87.08105	1.3
88.15952	0.6
89.03913	6.2
91.05487	8.6
93.07042	8.0
93.91779	0.7
95.04966	5.1
95.08608	7.4
97.06535	90.3
98.06855	0.8
98.97577	0.9
100.11282	1.6
105.03395	1.1
105.04539	0.7
105.07040	9.0
107.04963	12.9
107.08590	6.7
109.06512	4.3
109.10162	3.3
111.04433	1.1
111.08089	4.3
111.08765	0.7
112.08907	1.2
113.09699	0.8
115.05436	1.1
116.98624	1.0
117.03390	6.6
117.07021	3.0
119.04932	1.0
119.08610	5.4
119.11409	0.6
121.06509	2.6
121.10151	4.5
123.08071	2.9
123.11725	1.4
125.09608	0.9
129.07027	3.3
129.09116	4.9
131.04936	0.9
131.08566	5.9
133.02852	6.3
133.06511	1.5
133.10158	3.6
135.04410	8.7
135.08075	5.7
135.11697	1.6
137.09657	1.9
139.11218	0.9
141.06989	1.3
143.08582	2.5
145.02878	6.6
145.06477	1.0
145.10141	3.1
147.04395	2.0
147.08081	2.1
147.11713	1.6
147.98891	0.6
149.09637	6.7
149.13232	1.2
153.05458	2.1
154.12350	0.9
155.08615	0.7
157.06476	0.9
157.10136	2.1
159.04411	9.4
159.08083	1.9
159.11688	2.9
161.02344	34.8
161.05963	0.8
161.09618	2.8
161.13306	1.0
163.03908	41.8
163.11218	1.2
169.06430	1.0
169.10158	1.3
171.08118	0.8
171.11659	1.6
173.02351	69.7
175.11234	1.4
175.14835	0.7
185.05952	2.0
185.09581	0.9
185.13242	1.0
186.03105	2.2
187.03940	1.1
187.07538	1.8
187.14931	0.9
189.09140	0.9
189.12740	0.8
189.16359	1.0
191.03391	3.6
197.05989	1.3
199.03923	0.8
213.09137	1.3
213.16438	0.7
215.07034	100.0
216.07420	0.9
217.15875	1.8
227.17961	1.6
231.17401	0.7
233.08104	2.5
241.08623	4.7
245.18921	0.8
248.08452	0.9
249.11278	4.5
249.18707	0.7
251.11378	1.4
255.17422	2.0
259.09689	12.3
259.14322	0.9
268.09351	0.8
269.12354	7.5
273.18481	8.9
286.10440	1.8
291.09488	1.1
291.12674	5.3
291.16226	1.4
291.19540	19.2
291.22873	1.5
291.26718	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	291.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.05503	0.5
56.96570	1.0
58.06595	0.4
59.84896	0.3
60.07174	0.3
61.01151	16.3
65.03942	0.5
66.18353	0.3
68.05022	0.4
69.03429	0.5
69.25533	2.9
69.25941	0.4
70.06591	0.7
71.04992	0.6
72.04527	0.6
77.45838	0.3
79.05495	1.1
81.03443	0.7
81.07063	0.4
82.06567	0.4
84.04502	0.9
84.08144	87.5
84.36896	0.4
85.02880	0.7
85.08500	0.4
86.09716	0.8
87.04472	1.8
91.05489	0.8
93.07050	0.7
95.04987	0.4
98.97585	0.5
103.05502	0.4
105.07064	0.6
107.05000	0.5
116.98623	0.4
118.06556	1.0
119.04945	0.4
119.08601	0.4
122.06028	0.4
122.44174	0.4
124.02251	0.3
124.07602	0.4
130.06596	1.2
132.08430	100.0
133.08768	0.8
138.05547	0.8
146.06012	0.5
147.04572	0.3
157.07640	0.3
161.00899	0.3
163.03850	0.4
166.04951	0.5
187.02872	0.5
198.11293	0.8
199.12291	0.6
206.08168	1.6
211.15321	0.9
212.09482	0.5
215.13867	1.6
217.13327	0.4
227.11821	0.6
228.10272	0.5
229.16283	1.3
233.15375	0.4
243.11302	0.7
244.12004	1.4
245.12833	1.2
246.11508	0.8
247.17371	2.4
249.18344	0.3
255.11304	0.8
255.17566	0.3
273.12372	4.9
273.18912	0.6
291.10370	0.6
291.13409	3.1
291.17337	17.9
292.11798	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03943	3.5
55.01875	24.2
55.05514	11.7
57.03429	3.5
62.13259	1.0
64.29252	1.1
64.59280	1.2
65.03921	1.1
67.05507	25.7
69.03423	3.0
69.07072	25.5
71.04979	5.4
72.74197	1.0
79.05492	25.0
81.03423	17.4
81.07066	15.9
83.04978	17.2
83.08617	3.7
83.40830	1.4
85.02914	1.6
91.05486	23.3
93.07045	25.7
95.04975	14.6
95.08605	26.9
97.02911	1.7
97.06529	23.8
97.10137	1.2
98.20786	1.9
99.04451	8.8
105.07032	15.5
107.04961	100.0
107.08590	11.6
109.06522	6.3
109.10145	9.5
111.04447	47.5
111.05080	0.9
111.05230	1.8
111.08095	2.6
115.05457	2.1
117.07022	6.3
119.08581	15.1
120.92933	1.2
121.06503	15.0
121.10136	7.7
123.04384	1.2
123.08064	9.9
123.11676	1.7
125.09615	4.3
128.06213	1.8
129.07014	6.0
131.08565	9.8
133.06471	5.1
133.10133	9.0
135.08075	12.2
135.11696	3.0
137.05954	1.3
137.09615	7.8
139.07558	2.9
139.11160	1.6
142.07753	1.2
143.08566	6.7
145.10107	6.2
147.08034	5.2
147.11674	4.4
149.09624	47.4
151.07462	1.4
151.11214	1.8
153.09094	12.4
157.10139	6.0
159.11656	3.1
161.09599	10.5
163.11179	6.3
165.09116	2.1
165.12749	1.4
167.10603	1.2
171.11697	4.3
175.11215	8.2
177.12802	3.7
179.10641	3.4
180.01169	1.3
185.09601	1.5
185.13326	1.6
187.11250	1.7
189.12766	3.8
193.12233	7.6
195.11676	1.3
203.10779	1.7
205.12405	1.4
213.16170	1.2
217.12210	1.5
221.11752	5.3
223.13297	1.7
227.17926	3.1
235.13271	6.3
237.16399	1.3
245.19077	3.2
249.14850	1.7
255.17419	4.2
263.20126	3.8
269.04797	1.2
273.18475	21.1
291.19556	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01867	1.2
55.05504	4.2
57.07061	3.0
59.05005	2.4
66.74417	1.0
67.05499	5.0
67.28215	1.0
69.03422	2.2
69.07052	3.8
70.83961	2.5
71.04990	2.5
72.60620	1.0
74.96549	1.0
79.05478	6.4
81.03416	1.2
81.07064	9.0
83.04990	2.1
83.08620	3.3
83.09077	1.1
84.18520	1.1
85.06553	2.2
91.05471	5.7
93.07048	7.6
95.04962	4.6
95.08614	15.8
97.06518	3.4
105.07033	12.6
107.04951	8.5
107.08605	4.8
108.05743	1.2
109.06535	9.6
109.10141	3.8
111.04447	2.8
111.08088	24.2
117.07026	2.6
119.08566	7.6
121.06512	2.7
121.10172	5.9
122.07294	1.6
123.08067	31.3
129.06966	2.1
130.07736	1.5
131.08582	6.0
133.06485	4.2
133.10144	6.7
135.07089	1.1
135.08061	4.8
135.11697	3.4
137.09628	4.1
142.73010	1.0
143.08597	1.9
145.10117	10.8
147.08069	2.4
147.11705	5.3
149.09593	6.1
151.07545	100.0
155.10753	1.2
156.09438	2.0
157.10109	4.5
159.08018	1.7
159.11684	3.1
161.09645	3.7
161.13293	1.8
163.11197	2.6
165.09113	1.5
169.10126	1.4
171.11699	3.5
173.09616	2.6
173.13249	4.6
174.10448	2.0
175.11185	4.3
177.09143	2.8
179.10640	5.6
181.12279	1.5
187.11168	2.2
189.12758	27.6
189.49307	1.1
191.14346	5.0
192.11464	3.9
197.11713	15.3
197.13353	1.4
203.14388	2.0
207.13803	69.5
213.16365	2.8
215.14394	3.6
217.12210	2.7
227.17918	1.3
229.15741	1.1
231.17509	2.4
233.15334	11.8
235.13271	2.3
240.15244	1.1
245.88928	1.1
249.18423	1.3
255.17374	3.4
273.18430	9.7
291.19556	53.0
292.19724	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.30574	0.8
53.03932	2.7
55.01854	3.2
55.05291	0.9
55.05514	11.4
56.96559	2.3
57.03429	2.2
57.07062	2.3
57.72599	0.8
59.04983	2.5
65.10347	0.8
67.05505	11.1
68.17159	0.8
69.03413	2.7
69.07069	6.5
69.16379	1.2
69.16782	8.3
71.04988	4.7
75.73438	0.8
78.25722	0.8
79.05488	13.3
81.03397	3.8
81.07057	12.1
83.04954	3.3
83.08636	8.4
85.02882	2.4
85.06535	3.6
91.05482	11.9
93.06503	1.1
93.07042	16.5
95.04958	8.5
95.08605	22.1
97.06534	6.9
97.10162	1.2
98.97575	1.2
105.07032	13.7
107.04221	1.6
107.04954	32.5
107.08591	11.0
108.05718	1.3
109.02866	1.0
109.06507	7.1
109.10165	4.9
111.04420	1.2
111.08080	42.8
113.06008	0.9
113.09627	1.8
117.07051	4.0
118.17603	0.9
119.08575	13.4
121.06499	4.5
121.10126	8.4
122.07295	1.9
123.08067	36.1
123.11671	1.3
125.09607	2.3
129.06984	2.8
131.08577	8.8
133.06535	5.5
133.10129	9.9
135.08058	8.3
135.11670	2.3
137.09595	3.9
142.07785	1.5
143.08556	3.0
145.06436	1.2
145.10126	7.3
147.08067	4.4
147.11685	7.4
149.09615	16.9
149.13222	2.3
151.07539	100.0
152.07867	1.0
154.54962	0.9
155.08578	1.2
155.10641	2.7
156.09276	1.3
157.10147	4.5
159.08055	1.7
159.11684	2.2
161.09627	5.4
161.13258	2.1
163.11156	5.0
165.09117	2.3
167.10681	1.1
169.12221	1.0
171.11639	4.5
172.12202	0.8
173.09669	1.8
173.13268	6.6
174.10399	1.4
175.11145	6.1
177.09079	3.3
179.10660	5.3
181.12219	2.2
185.09511	1.1
189.12733	32.1
191.10611	1.4
191.14311	13.7
192.11409	3.6
193.12251	1.3
195.11688	0.8
197.11720	16.4
197.13318	2.4
205.12228	1.9
207.13792	69.1
211.13237	1.5
213.07895	0.9
213.16365	2.3
215.14348	4.4
217.12228	3.3
225.22185	0.9
227.17995	0.9
231.08968	1.5
231.17516	1.9
233.15353	38.3
235.13268	2.3
238.28593	0.8
245.18935	1.1
249.18387	2.0
255.17377	3.0
258.10071	0.9
269.10583	5.3
273.18472	10.5
284.57397	0.9
287.11627	5.2
291.19525	68.9
300.78226	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.07052	1.6
53.03931	4.3
55.01868	11.4
55.05513	21.3
57.03421	5.7
57.07047	1.9
65.03942	2.6
67.05502	31.7
69.03421	5.2
69.07071	21.2
70.75268	4.0
71.04983	4.1
71.08629	2.7
71.21361	2.1
79.05040	3.3
79.05489	39.0
81.03419	14.7
81.06602	3.1
81.07052	40.8
83.04996	11.5
83.08613	10.6
85.06550	4.1
91.05480	33.7
93.07043	31.1
95.04963	16.6
95.08604	22.9
97.06519	8.4
97.10160	6.1
99.08055	2.7
103.05459	2.6
105.07023	23.4
107.04949	65.0
107.08588	22.5
109.02872	2.3
109.06508	18.1
109.10144	12.7
111.04452	2.7
111.08066	8.0
115.05443	3.1
117.07027	14.4
119.08571	30.2
121.06502	10.3
121.10151	9.5
123.04408	3.0
123.08073	11.3
125.09615	8.0
125.89297	1.8
128.06198	2.1
129.06984	7.6
131.08562	17.5
133.06491	8.6
133.10144	11.4
135.08073	19.9
135.11633	3.9
137.09630	8.3
143.08578	9.4
145.10129	15.3
147.08069	17.1
147.11644	4.6
149.09615	31.1
151.07553	19.9
151.11176	4.2
153.08977	2.2
157.10109	9.5
159.08057	4.3
159.11661	8.2
161.09573	10.0
161.13214	2.6
163.11177	7.1
165.09151	11.4
171.10269	3.3
171.11731	5.3
173.13203	2.9
175.11230	8.4
177.09100	4.1
177.12718	2.3
185.09784	2.1
185.13228	2.4
187.11118	2.2
189.12778	4.6
193.12306	2.4
199.14780	2.0
205.12199	2.4
207.13782	8.5
217.16003	2.3
227.17975	4.8
237.16292	2.2
245.18982	7.0
249.14963	4.6
252.07092	2.0
255.17351	6.6
263.20148	2.7
273.18506	38.2
291.19534	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	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	3.0
55.01871	15.4
55.05512	15.7
57.03447	2.4
64.75339	1.5
67.05505	28.6
69.03423	3.8
69.07067	31.1
71.02247	3.5
71.04974	7.4
78.93292	1.2
79.05496	26.3
81.03423	26.4
81.07064	17.4
83.04981	16.9
83.08608	4.2
85.02890	2.4
91.05478	27.6
93.06503	2.6
93.07044	43.2
95.04974	11.3
95.08608	44.6
97.02895	5.9
97.06525	10.4
99.04457	17.8
99.08070	2.1
103.05482	1.5
105.07027	16.6
106.45954	1.5
107.04955	100.0
107.08587	18.2
109.06514	6.6
109.10178	10.6
111.04445	31.3
111.08069	3.9
117.07063	9.3
117.07754	1.7
119.08591	15.1
121.06541	7.4
121.10124	6.0
123.04449	2.1
123.08061	9.5
125.09637	7.6
129.07013	5.4
130.07814	1.8
131.08546	11.3
133.06483	3.9
133.10138	16.3
135.06212	1.3
135.08061	17.6
135.11676	2.9
137.09618	11.2
143.08525	2.9
145.10147	7.7
147.08058	4.3
147.11668	10.8
149.09624	45.7
150.78177	1.7
151.07532	1.5
151.11069	2.7
153.09102	15.1
157.10109	7.4
159.11731	2.9
161.09662	7.4
163.11162	5.6
165.12737	9.6
169.10222	1.7
171.11690	4.3
175.11195	11.4
177.09087	4.2
177.12740	3.3
179.10641	4.9
185.13243	2.4
187.11145	1.9
189.12820	2.5
193.12250	39.5
211.13226	2.5
221.11708	27.7
227.17929	2.0
235.13295	4.7
245.18980	4.8
249.18520	3.4
255.17355	4.2
257.47122	1.4
273.18494	14.5
291.19534	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	4.0
55.01873	8.2
55.05512	15.6
57.03423	1.9
64.44728	1.1
65.03914	1.6
67.05507	23.6
69.03424	5.6
69.07070	13.5
69.97778	3.6
71.04978	4.4
79.05023	2.4
79.05492	45.5
81.03419	9.9
81.06611	1.7
81.07057	24.3
83.04993	5.2
83.08592	3.6
85.06506	2.6
91.05486	29.9
93.07043	30.4
95.04966	11.3
95.08611	30.8
97.06512	4.5
97.10153	3.3
99.04455	1.6
105.07028	22.1
107.04956	100.0
107.08595	14.2
109.06487	2.7
109.10141	14.8
111.08077	1.8
115.05423	3.0
116.06253	1.1
117.07014	13.1
119.08584	34.2
121.06501	6.1
121.10133	6.5
123.08041	4.3
125.09607	3.3
128.06133	1.3
129.07019	6.1
130.07770	1.7
131.08578	13.7
133.06487	8.9
133.10123	5.6
135.08054	45.5
135.11656	1.8
137.09616	21.0
142.07787	1.5
143.08585	6.4
145.06487	1.8
145.10123	10.6
147.08046	15.6
147.11642	2.3
149.09630	22.6
155.10626	4.9
157.10184	5.4
159.08017	1.8
159.11703	2.9
161.09593	10.6
163.11188	2.5
165.09117	8.7
171.11661	2.7
173.09625	1.4
173.11778	6.4
173.13139	1.6
175.11142	5.5
177.09061	2.4
179.10809	1.6
183.10199	2.3
185.13231	1.3
189.11201	1.9
189.12729	1.9
199.11093	1.3
201.11050	1.1
213.16380	1.4
217.12372	1.1
227.18022	2.7
235.13373	1.7
237.16431	1.4
245.18954	4.3
249.14769	2.4
255.17384	4.4
273.18484	33.2
291.19528	97.0
292.19901	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02369	0.8
53.03940	2.6
54.65671	0.6
55.01867	5.8
55.05517	5.8
61.51358	0.7
67.05502	7.4
69.03433	0.9
69.07070	17.3
70.12253	3.5
71.04987	2.0
79.05498	10.1
80.05821	0.7
80.70316	0.7
81.03416	17.6
81.07056	7.2
83.04989	3.7
83.08616	2.4
91.05480	11.0
93.07040	10.0
95.04973	7.1
95.08606	9.5
97.06538	6.6
97.10167	0.9
97.32066	0.8
99.08112	1.1
103.05466	1.3
105.07026	7.7
107.04954	100.0
107.08588	4.4
109.06499	2.2
109.10175	3.5
111.08114	1.1
117.07011	4.3
119.08573	7.5
121.06509	6.1
121.10134	1.9
123.08083	1.5
123.11724	0.8
125.09657	1.2
129.07008	2.9
131.08563	5.6
133.06482	3.2
133.10126	4.6
135.08073	5.7
135.11627	1.5
137.09613	3.7
139.07579	1.4
143.08533	3.2
145.10106	4.9
147.08070	3.8
147.11728	1.4
149.09619	42.3
151.11258	0.9
157.10141	3.2
159.07996	0.9
159.11678	2.1
161.09608	3.2
163.11151	1.9
165.09126	3.0
171.11749	2.5
171.62398	0.7
175.11183	3.9
177.09041	1.1
177.12723	2.3
185.09608	1.2
187.11127	0.9
189.12860	1.2
199.11205	1.0
203.10661	1.3
215.03329	0.7
221.11560	1.1
223.13396	0.8
235.13324	3.7
245.18997	1.5
255.17418	0.9
273.18527	6.6
291.19531	49.9
292.19830	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	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.07887	0.3
53.03941	0.6
55.01872	2.3
55.05511	8.3
57.03415	0.5
59.04990	0.4
67.05502	4.7
69.03414	1.3
69.07064	2.9
69.75551	1.3
71.04981	0.8
79.05495	6.8
81.03402	0.8
81.07056	6.7
83.04966	1.3
83.08620	3.5
91.05480	6.7
93.07039	5.4
94.04205	0.4
95.04942	2.9
95.08619	2.3
96.18259	0.4
97.06535	0.4
97.10165	3.7
98.20860	0.6
105.07029	6.4
107.04954	3.1
107.08582	3.2
108.05690	0.7
109.00698	0.3
109.06506	0.8
109.10142	1.0
111.08044	0.3
115.05451	0.8
117.07024	2.8
119.04953	2.1
119.08575	4.6
120.05739	0.4
121.06535	1.7
121.10147	1.6
123.08043	1.3
125.09618	1.8
128.06195	0.4
129.07010	1.6
130.07768	0.8
131.08549	3.0
133.06479	3.8
133.10126	1.4
133.64743	0.3
134.07265	0.9
135.08044	0.9
135.11620	0.5
137.09648	0.5
140.37138	0.3
142.07721	0.4
143.08519	1.5
145.06439	0.4
145.10120	2.3
146.07352	0.3
147.08054	3.7
149.09601	1.2
157.10101	1.1
159.08064	0.4
159.11705	0.7
161.09610	1.2
162.10374	1.3
163.11168	1.2
165.09065	0.5
171.11681	0.5
175.11179	0.5
176.89082	0.3
189.11232	0.6
189.12753	0.4
195.11652	0.3
223.13274	1.1
235.13213	0.3
245.18880	0.3
249.14865	1.8
255.17470	0.4
261.14841	0.5
273.18491	3.9
291.19528	100.0
292.19873	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03941	2.4
54.66171	0.8
55.01640	1.0
55.01874	10.7
55.05516	11.7
56.69931	0.8
57.03431	1.9
59.15009	0.7
65.03930	1.0
67.05147	1.1
67.05505	19.7
69.03424	2.3
69.07070	27.2
71.04990	3.4
71.08622	2.0
71.20133	1.4
79.05497	20.0
79.99685	1.0
81.03420	20.7
81.07058	21.0
83.04987	7.3
83.08623	4.5
85.06556	1.4
91.05482	17.6
93.07043	21.4
95.04977	11.6
95.08607	25.4
97.06528	9.5
97.10159	1.1
99.04450	1.4
99.08093	2.1
105.03386	1.0
105.04578	0.8
105.07030	14.5
107.04958	100.0
107.08598	11.0
109.06536	4.2
109.10170	7.1
111.04411	2.1
111.08079	2.9
113.05929	1.0
115.05453	1.9
117.07027	5.9
119.04953	1.8
119.08591	10.7
120.85863	0.8
121.06519	9.7
121.10159	6.8
123.08057	7.7
125.05959	1.1
125.09620	2.3
129.07014	5.7
131.08577	11.1
133.06499	6.0
133.10158	7.9
135.08054	10.3
135.11694	3.7
137.05988	1.2
137.09607	6.0
139.07515	1.6
139.11197	2.5
143.08575	4.0
145.06476	1.0
145.10138	7.5
147.08076	4.6
147.11696	3.7
149.09621	56.6
151.07527	2.1
151.11188	3.0
155.08484	1.0
157.10132	4.4
159.08022	1.0
159.11685	4.0
161.09637	6.7
161.13251	1.4
163.11226	5.1
165.09157	2.3
167.10693	1.6
169.10136	1.5
171.11678	3.3
173.09689	1.4
173.13203	1.3
175.11217	8.3
177.09196	2.1
177.12724	2.0
179.10677	2.3
185.09616	2.0
185.13339	1.9
187.11145	2.1
189.12729	2.9
193.12216	1.3
195.11670	1.0
199.11165	1.7
203.10686	1.8
203.14403	1.0
205.12097	1.3
213.16333	1.5
217.12262	1.5
217.15816	1.1
221.11702	2.1
223.13240	1.9
227.17969	3.1
235.13220	3.7
237.16397	1.0
240.06093	0.8
245.19003	5.3
255.17407	3.2
263.20142	2.7
273.18518	23.0
280.57938	1.0
291.19543	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	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03939	1.6
55.01871	4.0
55.05511	14.6
57.03426	1.3
57.07062	1.0
60.41890	0.5
65.03912	0.6
67.05505	22.0
69.03429	1.0
69.07055	4.0
69.78590	3.7
71.04993	1.4
71.08628	11.3
78.80189	0.6
79.05495	15.6
81.03413	4.9
81.07054	9.6
83.04971	2.2
83.08622	2.9
85.06481	0.7
91.05480	7.2
93.07034	12.0
95.01317	1.6
95.04966	4.7
95.08618	5.2
97.06526	1.3
97.10166	3.2
99.08091	8.1
104.39761	0.6
105.07008	4.6
107.04955	10.1
107.08587	15.5
108.02088	2.3
109.02885	9.8
109.06510	1.7
109.10165	9.3
111.04422	0.8
111.08072	2.4
115.05399	0.5
117.07010	3.4
119.08584	3.2
121.06509	1.8
121.10121	0.8
123.04436	1.8
123.08090	0.8
125.09606	5.6
127.11241	0.7
129.07014	1.9
131.08563	2.6
133.06514	0.9
133.10110	0.8
135.08064	6.8
135.11617	0.6
143.08562	1.1
145.06549	0.6
145.10124	2.3
147.08009	0.8
147.11598	2.6
149.09616	5.3
151.11177	9.9
153.09091	3.7
157.10098	1.7
159.11681	0.7
165.09113	100.0
166.09412	0.9
167.10754	1.3
171.10185	9.1
171.11647	1.5
175.11130	3.7
177.12758	4.0
179.14349	1.2
181.12199	1.4
185.09724	0.6
191.14320	0.8
193.12228	10.0
205.15916	2.0
221.11563	0.6
227.18016	1.0
235.13255	0.7
245.19012	11.5
255.17374	0.9
263.20029	6.5
273.18573	4.4
291.19534	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	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03942	4.2
55.01874	4.1
55.05510	21.7
57.03434	1.9
57.07074	2.1
63.93606	1.1
65.03940	2.7
67.05507	44.4
69.03431	1.2
69.07072	24.6
69.62425	3.8
69.62848	3.7
71.05003	1.5
71.08624	1.2
73.06588	2.0
77.03934	1.4
79.05495	68.7
81.03426	7.7
81.07059	48.0
81.07545	2.0
83.04986	7.1
83.08617	10.4
85.06545	3.8
91.05485	30.6
91.06042	2.3
93.07046	100.0
95.04972	10.4
95.08609	40.0
95.09078	0.8
97.06535	5.4
97.10170	5.1
98.98435	1.1
99.08089	2.2
105.07020	21.4
107.04230	2.4
107.04960	48.6
107.08598	59.4
109.06528	5.0
109.10160	16.0
111.08073	2.4
115.07602	1.2
117.07032	6.0
119.08589	20.2
121.06524	5.0
121.10148	49.5
123.08070	3.7
123.11694	3.3
125.09592	1.9
129.07013	3.4
129.09140	1.5
131.08549	9.6
133.06483	1.8
133.10120	17.8
135.08073	4.7
135.11691	58.4
137.00328	1.0
137.09631	3.8
141.06911	1.1
143.08597	3.8
145.10136	6.6
147.08058	3.1
147.11708	12.4
149.09625	27.5
149.13254	33.8
151.11150	2.5
157.10094	3.2
159.11720	5.7
161.09645	3.6
161.13274	10.2
162.73976	1.0
163.11194	5.4
163.14803	12.3
171.11713	6.1
173.13245	4.2
175.11189	5.6
175.14804	7.2
177.12791	3.0
177.16461	1.7
179.14276	1.6
181.12099	1.3
185.13269	4.2
189.12758	3.2
199.14848	2.5
203.10869	1.3
203.14357	1.6
207.13782	2.2
209.15338	1.9
213.16391	3.5
217.19566	2.5
221.15358	2.6
231.17500	1.8
231.21063	1.5
233.15248	1.4
235.13237	2.0
241.19594	5.0
245.19003	2.1
249.18588	3.7
259.20560	10.7
273.18567	5.1
291.19589	30.2
291.23196	63.6
292.20026	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	291.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01864	5.5
55.05278	2.0
55.05513	22.6
57.03417	1.9
57.07059	2.6
59.73414	1.2
65.03941	2.9
67.05506	43.1
68.59846	1.5
69.03416	2.1
69.07072	23.2
70.10640	6.0
71.04999	2.5
71.08630	1.6
73.06559	1.8
77.03906	1.8
77.42008	1.2
79.05496	83.6
81.03404	8.8
81.07056	50.5
83.04968	4.1
83.08620	11.7
85.06544	3.7
91.05476	32.1
92.37148	1.5
93.07046	100.0
95.04974	10.7
95.08611	38.4
97.06522	6.3
97.10163	5.0
98.20786	2.6
105.07040	21.6
106.73337	1.7
107.04231	2.2
107.04955	51.1
107.08595	54.6
107.87420	1.3
109.06499	5.1
109.10152	17.2
111.08099	2.4
117.07001	5.8
119.08582	19.6
121.06483	5.8
121.10142	44.3
123.08075	4.8
123.11699	4.2
125.09664	2.1
129.06999	4.0
131.08589	10.0
133.06468	3.4
133.10143	14.9
135.08040	5.3
135.11693	51.3
137.09593	2.3
143.08542	3.0
145.10112	8.0
147.08043	3.0
147.11656	11.6
149.09622	26.5
149.13245	33.4
151.11153	2.0
157.10167	3.3
159.11713	6.6
161.09612	4.0
161.13258	6.3
163.11171	5.6
163.14836	9.6
171.11650	4.1
173.13289	2.3
175.11211	4.3
175.14828	5.8
175.35973	1.3
177.12758	4.0
177.16389	1.8
185.13341	3.3
189.12712	3.8
207.13721	1.8
213.16376	1.7
235.13251	2.2
235.16832	1.6
241.19501	3.8
249.18436	4.1
259.20572	8.2
273.18430	6.3
291.16589	2.5
291.19550	27.9
291.23169	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	292.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23723	0.3
58.62090	0.3
66.10303	0.3
69.03405	0.7
69.44926	2.6
87.04469	37.0
91.05481	0.8
117.05763	0.4
118.06541	27.2
130.06522	1.5
130.29550	0.3
134.26541	0.4
146.06007	11.9
148.07564	2.2
172.03940	0.7
174.05518	7.7
176.07068	2.4
178.08533	1.0
204.10164	3.6
206.08124	30.4
232.09624	2.2
260.09256	2.2
292.11780	100.0
293.12143	1.4
310.04898	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	292.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45657	0.1
53.03941	0.3
54.98145	0.1
55.01876	0.2
57.03445	0.4
61.02929	0.8
64.01244	0.1
69.03431	1.9
69.17585	0.1
71.04986	0.2
72.08165	0.2
73.02911	0.4
80.24514	0.1
81.03426	1.1
84.08161	0.2
85.02909	4.7
87.04486	0.3
91.03932	0.5
94.94642	0.1
95.04987	0.2
96.08106	0.1
97.02895	1.3
98.21534	0.3
98.51173	0.1
99.04463	0.3
103.05467	0.6
109.02866	0.5
112.11254	0.4
127.03930	0.8
128.05072	0.2
129.13805	0.1
130.06529	100.0
131.06876	0.9
145.02968	0.2
145.04974	0.7
286.14331	0.1
292.11743	1.4
292.14908	0.3
295.65417	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	292.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74823	0.1
52.82317	0.2
53.03936	0.4
55.05503	0.2
56.96555	0.6
57.03432	0.6
61.02935	0.9
69.03432	2.2
69.07047	0.3
70.06579	0.3
71.05016	0.3
71.49538	0.3
72.08140	0.5
73.02918	0.4
77.03937	0.2
79.05482	0.2
81.03404	1.2
81.07043	0.2
84.04558	0.2
84.08119	0.5
84.85056	0.2
84.96069	0.2
85.02908	5.0
86.09712	0.3
87.04465	0.6
91.03944	0.2
91.05492	0.4
95.04897	0.2
97.02898	1.6
98.97577	0.6
99.04438	0.3
103.05480	0.8
106.06580	0.2
109.02866	0.5
112.11258	0.4
116.98627	0.6
118.06547	0.3
127.03925	0.9
128.98587	0.6
130.06531	100.0
131.06868	1.1
134.99652	0.3
136.07503	0.3
145.02846	0.5
145.04959	0.8
146.05943	0.3
146.99664	0.6
147.05542	0.6
147.99928	0.2
149.01202	0.2
151.03911	0.2
162.05469	0.2
162.99162	0.2
163.03912	0.6
170.99654	0.2
177.00708	0.2
177.05515	0.3
189.00691	0.6
190.01067	0.8
206.08168	0.4
274.10892	0.3
275.10391	0.2
292.11789	1.9
292.15289	0.8
292.19211	0.2
293.11505	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	292.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05495	0.3
56.96570	0.5
57.03427	0.9
61.02919	0.9
65.52674	0.2
67.05498	0.4
69.03161	0.2
69.03437	2.1
69.07062	0.4
70.06590	0.3
70.53462	0.3
73.02907	0.7
74.06031	0.3
79.05499	0.3
81.03419	1.0
84.04510	0.3
84.08143	0.5
85.01144	0.3
85.02908	5.4
86.09700	0.3
87.04443	0.6
97.02901	1.6
98.97612	0.3
98.98446	0.3
99.04446	0.3
99.05554	0.3
103.05463	0.8
109.02830	0.3
111.04428	0.3
112.02195	7.9
112.07594	0.7
116.98658	0.4
118.06534	0.3
120.04388	0.2
127.03896	0.8
129.10245	0.3
130.03287	2.6
130.06528	100.0
131.06854	1.3
132.08090	0.6
134.99658	0.3
144.08073	0.4
145.04965	0.7
146.06061	0.3
146.09348	0.2
146.99678	0.3
147.04453	0.4
159.09233	0.6
160.79619	0.2
162.09212	0.2
170.05992	0.3
178.90932	0.2
252.39645	0.3
254.00934	0.3
272.01965	0.3
275.10150	0.4
292.08514	0.9
292.11823	2.7
292.14636	0.3
313.11835	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61402	0.4
54.87038	0.5
56.96554	0.8
57.48107	0.5
58.36814	0.4
59.15962	0.4
71.19615	1.1
94.92996	0.5
96.92213	1.6
96.92805	0.4
101.00869	0.9
111.27757	0.5
111.30272	0.4
112.89609	5.7
112.91576	0.4
114.89320	3.0
119.01928	2.3
131.01868	1.0
137.01883	0.8
139.66161	0.5
143.01866	1.8
149.01231	0.5
150.91942	1.6
157.03580	0.5
161.02911	4.8
173.02957	1.6
187.43265	0.5
191.04114	0.5
203.02359	0.5
203.04048	1.9
208.99710	0.5
216.94873	0.8
232.92233	1.6
234.92117	0.6
250.92206	1.5
256.70166	0.5
293.06274	100.0
294.06665	1.8
307.90955	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	293.138
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03938	0.9
54.94169	0.2
55.05510	23.1
56.05841	0.4
57.62085	0.2
65.03938	1.2
69.07057	0.2
71.40946	0.3
71.41288	0.4
73.06555	9.9
81.50237	0.2
87.04420	0.3
91.05473	2.2
93.03394	0.7
106.40825	0.2
111.04427	0.4
115.05452	0.3
116.06200	0.4
117.07001	0.2
117.37141	0.2
119.08527	0.4
121.02862	6.2
121.03972	0.6
128.06163	0.3
129.06995	2.5
131.08575	2.4
138.05403	0.2
143.04903	1.3
147.08014	0.7
149.02333	100.0
150.02701	1.8
157.06519	1.0
161.05969	5.7
167.03400	1.6
175.07539	18.8
176.07977	0.4
185.05995	1.1
203.07022	26.7
204.07396	0.5
221.08104	0.8
224.09274	0.4
275.00018	0.2
275.12778	3.2
276.05823	0.2
293.13861	2.8
301.58017	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.11641	2.1
53.03949	7.8
55.01873	17.0
55.05514	42.0
56.96568	25.4
57.03435	12.1
57.07069	5.3
59.04993	2.6
65.03937	4.8
67.05505	54.2
69.03429	6.5
69.07076	37.9
69.36258	17.6
71.04987	5.7
71.08629	4.7
79.05497	65.2
80.05779	1.9
81.03416	20.3
81.07059	68.0
83.04982	14.7
83.08619	22.8
85.06550	8.0
91.05483	47.4
93.07048	54.8
95.04970	46.4
95.08609	48.3
97.02881	4.1
97.06541	18.9
97.10170	18.5
98.20787	4.5
98.97609	3.6
98.98489	4.0
99.08090	5.6
105.07034	55.6
107.04953	12.1
107.08597	95.3
108.08901	3.0
109.02921	2.3
109.06521	21.6
109.10162	17.6
110.06919	2.0
111.08094	6.2
115.05464	2.3
116.98659	5.0
117.07017	14.2
119.08578	40.9
121.06496	8.5
121.10137	23.1
123.04508	2.8
123.08072	21.1
123.11697	5.2
125.09641	13.3
129.07010	5.6
131.00142	2.4
131.08595	20.7
133.10126	33.8
134.99658	3.1
135.08076	13.5
135.11707	8.4
137.09593	11.2
139.11198	4.0
141.07028	5.8
143.08591	6.0
145.06483	3.1
145.10115	20.9
147.11678	16.4
149.01216	6.7
149.02344	3.7
149.09641	21.2
149.13287	4.1
151.07535	4.0
151.11197	33.8
153.06950	2.6
153.12714	2.3
155.08528	2.9
157.10115	8.0
157.11250	2.4
159.08035	3.4
159.11693	20.7
161.01285	2.9
161.09604	4.5
161.13246	7.9
163.11212	10.9
163.14822	2.6
165.09109	3.6
165.12775	3.9
167.02304	5.5
168.56070	2.6
171.11711	3.9
173.13290	7.2
175.11186	4.0
177.12753	10.2
179.10652	2.2
179.14340	2.4
181.59166	2.0
183.11688	3.7
185.13268	6.9
187.14830	3.5
189.11235	10.4
191.14268	4.2
193.12271	2.5
201.12706	2.2
201.16409	3.9
203.14404	5.2
205.15712	2.1
215.06607	2.0
217.15881	5.6
219.13756	2.7
219.17424	9.3
221.15373	5.8
223.13237	3.2
229.07520	2.1
229.19485	4.4
237.14861	2.8
239.17931	7.2
244.09705	6.5
247.20563	7.1
251.16418	2.2
252.09277	4.4
257.19006	12.4
270.13174	2.6
271.08557	2.6
275.20074	100.0
276.20496	3.2
285.10065	3.1
287.11810	3.1
293.11847	4.2
293.17825	2.6
293.21115	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03940	3.1
53.73158	1.0
55.01871	7.9
55.05285	1.3
55.05511	17.5
57.03427	2.9
57.07073	10.3
59.04982	1.3
65.30255	1.0
67.05136	2.1
67.05504	40.6
69.03423	3.9
69.07071	10.4
69.39683	8.8
71.04994	6.5
71.08634	24.6
79.05495	17.3
81.03412	21.7
81.06599	1.7
81.07050	19.8
83.04984	5.3
83.08620	5.1
85.02919	5.1
85.06534	4.3
91.05476	21.3
93.06506	1.6
93.07049	24.0
95.04966	32.5
95.08607	53.1
97.06527	5.3
97.10150	2.5
99.04406	2.3
99.08094	25.1
101.05991	1.2
105.07037	9.6
107.04932	4.8
107.08602	7.0
107.72042	1.0
109.06502	3.9
109.10154	17.9
111.08076	1.8
113.06007	4.0
117.07027	5.5
119.08582	15.0
121.06487	4.4
121.10139	6.0
123.08073	6.1
125.09602	3.0
127.11167	2.5
131.08559	6.2
133.10129	11.1
135.08020	3.9
135.11678	2.3
137.09612	19.4
138.02473	1.1
139.11150	5.1
141.06967	1.2
141.09103	7.2
143.08604	1.8
145.10129	3.6
147.11644	2.4
149.09587	3.6
149.13229	2.1
151.11180	100.0
152.11540	2.6
155.10672	24.7
155.11913	1.8
157.10138	2.9
159.11696	8.0
161.09586	9.1
161.13275	1.3
163.11142	2.1
165.12737	11.2
167.10652	1.5
169.10123	2.0
173.11885	1.3
173.13203	2.6
177.12752	20.6
179.10674	3.2
181.12140	1.2
187.11147	2.7
187.14854	1.1
189.11253	1.6
191.14322	5.4
195.13797	3.2
209.13177	1.1
217.55722	1.0
229.19554	3.4
237.14824	2.2
247.20560	4.4
251.20020	1.8
257.18948	6.7
275.20050	21.7
293.21085	79.8
294.21402	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03944	7.0
55.01856	6.3
55.05514	24.6
57.03434	3.0
67.05508	49.3
69.03430	2.9
69.07068	25.4
70.42567	8.5
71.04996	6.1
79.05492	44.9
81.03419	5.3
81.07056	100.0
83.04992	6.4
83.08619	14.4
85.21799	2.2
91.05482	31.9
93.07044	36.0
95.04982	24.3
95.08607	35.2
97.06526	7.7
97.10174	3.6
99.08032	2.7
105.07030	34.6
107.04961	7.2
107.08600	20.9
109.06532	29.9
109.10159	14.7
111.08095	5.8
117.07034	9.7
119.08587	34.0
121.06479	5.7
121.10146	13.1
123.08068	16.8
123.11713	6.6
125.09625	3.7
131.08604	15.3
133.10127	23.2
135.08017	5.8
135.11696	8.7
137.09630	8.5
139.11205	3.1
143.08630	3.1
145.10104	12.9
147.11674	19.4
149.09654	10.9
149.13278	5.0
151.11194	11.6
157.10089	3.2
159.11708	9.4
163.11208	8.6
165.12721	4.5
169.10162	3.9
171.11681	3.1
173.13283	8.7
177.12796	4.4
197.13120	2.6
203.12723	2.4
223.13528	2.9
239.17886	2.8
247.20528	4.9
257.19043	8.6
275.20050	73.8
293.21091	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03933	3.1
53.84504	1.6
55.01875	9.8
55.05511	87.2
57.03438	10.5
59.05002	2.7
67.05500	32.7
69.03433	11.1
69.06171	1.8
69.07072	15.3
69.94451	6.7
69.94872	3.6
71.04996	1.6
75.01177	1.7
79.05084	2.9
79.05498	37.4
81.03425	2.2
81.07053	28.0
83.04991	10.1
83.08617	50.1
85.06516	4.2
91.05473	19.5
93.07045	22.3
94.41949	1.4
95.04948	4.1
95.08608	11.5
97.10168	100.0
98.20802	1.8
98.97573	1.9
101.05982	2.1
103.77011	1.7
105.07046	12.4
107.04959	2.1
107.07899	2.5
107.08591	36.3
108.47308	1.8
109.06474	2.1
109.10160	5.4
111.08056	4.9
112.46213	1.6
115.05399	2.0
117.07035	9.5
119.08604	8.2
121.10134	11.5
125.09629	95.7
131.08546	13.5
133.10135	9.0
135.08037	13.0
135.11674	4.8
137.09613	2.9
143.10703	3.9
145.10127	6.6
147.11606	4.6
149.09618	5.5
151.11157	1.9
153.09093	9.1
153.12740	3.3
159.11716	2.8
171.10127	5.4
173.11766	3.3
173.13177	2.2
181.12170	4.9
183.11739	2.1
189.11226	88.8
197.13354	2.1
221.15359	2.3
241.37061	2.2
257.19003	3.7
262.32678	1.7
275.20056	38.0
293.21057	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01869	3.4
55.05512	14.5
57.07066	2.3
67.05195	2.0
67.05506	26.3
69.03419	1.8
69.06737	2.1
69.07069	24.2
70.63146	4.3
70.63498	1.8
71.04985	2.4
79.05491	13.8
81.07054	27.8
83.04959	5.6
83.08620	4.0
85.06528	1.5
91.05461	17.1
92.99004	1.3
93.07042	21.9
95.04962	6.5
95.08601	17.4
97.06520	3.0
97.10160	2.4
105.07031	21.7
107.04939	8.0
107.08598	15.1
109.06516	10.2
109.10151	7.6
111.08080	1.7
117.06254	1.5
117.06986	6.9
119.08597	12.9
121.06488	8.6
121.10150	7.3
123.08071	5.6
123.11675	2.9
129.07031	2.2
131.08566	11.9
133.06432	2.4
133.10115	17.7
135.08061	4.6
135.11655	4.1
137.09644	2.9
143.08447	2.0
145.06430	1.6
145.10103	11.6
147.08051	3.7
147.11682	10.9
149.09607	4.6
149.13268	3.6
151.11180	6.4
159.11679	5.2
161.09645	2.5
161.13243	2.3
163.11087	3.1
169.10092	1.7
171.11783	1.4
173.09683	2.1
173.13258	4.2
175.11169	3.5
177.12708	2.0
187.11169	2.7
191.14294	2.3
197.13278	1.5
207.13719	3.7
216.22798	1.8
219.13780	6.1
229.19547	2.9
237.14856	1.8
239.17891	3.6
244.91162	1.6
247.20709	3.6
257.19025	14.6
272.54422	1.8
275.20056	100.0
276.20438	4.4
293.21164	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03941	1.4
55.01879	3.1
55.05505	5.2
57.03418	0.7
57.07074	6.7
63.78328	0.6
67.05505	12.6
69.03426	1.3
69.07079	3.8
70.20919	2.3
71.04986	1.9
71.08631	9.0
78.63627	0.6
79.05491	7.2
81.03421	22.8
81.07053	9.1
83.04990	1.4
83.08611	1.6
85.06551	4.2
87.00377	0.5
91.05470	7.4
91.59820	0.6
93.07050	7.8
95.04967	24.8
95.08008	0.7
95.08608	11.9
97.06504	1.0
97.10159	0.7
99.08092	9.1
105.07036	4.1
107.04947	2.5
107.08577	3.2
108.05755	0.9
109.06502	2.7
109.10147	5.1
111.08088	1.3
117.07018	2.6
119.08582	4.3
121.06482	2.1
121.10152	2.4
123.08061	1.6
131.08557	2.9
133.10135	4.1
135.08054	1.2
135.11653	1.5
137.09602	5.8
139.11183	0.9
141.09155	3.2
143.08501	1.3
145.10127	1.6
147.07979	0.5
147.11647	1.3
149.09579	1.6
149.13277	1.1
150.58669	0.6
151.11177	100.0
152.11499	1.2
152.91069	0.5
157.10106	0.6
158.95308	0.5
159.11699	2.7
161.09576	2.8
163.11201	1.8
165.12709	2.8
171.11551	0.6
173.13219	1.4
177.12741	8.6
179.10701	0.8
187.11279	1.0
191.14325	2.2
201.12706	0.7
209.11722	0.6
229.19545	1.6
237.14877	0.9
247.20503	1.7
257.18948	2.0
275.20074	11.2
293.21103	56.3
294.21411	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.16402	1.4
53.03941	3.7
53.26720	1.3
55.01860	5.5
55.05508	20.9
57.03421	5.5
59.05019	1.7
63.34402	1.4
65.03934	2.0
67.05508	26.5
69.03432	2.2
69.07069	35.1
69.65295	9.8
71.04992	3.5
78.85656	1.3
79.05494	61.5
81.03399	5.0
81.07057	29.1
83.04975	8.0
83.08610	6.2
85.06528	3.5
91.05479	30.0
93.07040	47.9
95.04958	12.5
95.08604	22.9
97.06527	9.6
97.10158	3.7
99.08105	2.0
105.07033	29.4
107.04959	66.2
107.08592	27.4
109.06519	4.2
109.10149	6.4
115.05414	2.1
117.06987	8.8
119.08591	23.2
121.06505	2.3
121.10139	21.1
123.07996	3.2
123.11729	2.3
125.09649	2.3
131.08566	9.8
133.10138	21.4
135.08057	45.6
135.11723	2.9
139.11223	8.8
143.08528	1.8
145.10106	11.4
147.11687	10.5
149.09647	10.3
149.13191	1.8
151.11172	4.8
157.10141	1.8
159.11696	8.8
161.13261	2.3
163.11145	2.8
169.10207	1.8
171.11665	2.6
173.13281	4.0
177.12744	3.3
183.11758	2.5
183.13834	3.6
187.13293	1.9
191.14301	2.4
197.13310	2.5
199.83780	1.5
203.12816	6.6
207.13905	1.8
219.13803	3.8
219.17299	2.0
229.19571	2.5
237.14717	1.9
239.18042	3.3
247.20598	4.7
257.19012	6.7
275.20071	100.0
276.20383	2.5
293.21060	13.4
310.97565	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03928	4.1
55.01885	11.4
55.05284	3.2
55.05510	35.9
56.66198	2.4
57.03426	5.5
57.07062	6.4
57.87032	2.3
60.38115	1.9
62.52267	2.0
63.48789	2.1
65.03915	2.2
67.05502	41.5
69.03428	3.4
69.07066	95.1
71.04979	5.4
71.08617	6.7
79.05492	69.5
81.03426	13.8
81.03803	2.5
81.07054	48.5
82.24838	1.9
83.04972	11.2
83.08612	7.8
83.91603	2.2
85.02885	3.6
85.06525	4.4
91.05473	38.0
93.07041	69.3
95.04963	97.1
95.08602	42.3
97.06535	16.6
97.10155	13.3
98.21549	6.3
99.08085	5.8
104.31653	2.0
105.07031	40.0
107.04945	42.3
107.08586	29.5
109.06510	10.4
109.10163	13.5
111.08074	2.6
111.11714	2.9
115.05441	2.3
117.07001	11.7
119.08575	26.5
121.06455	9.3
121.10136	35.3
123.08067	8.3
123.11664	3.1
131.08574	16.5
133.10124	29.7
135.08058	51.4
135.11685	6.7
137.09627	5.2
139.11185	19.7
143.08466	3.6
145.10146	10.7
147.08026	2.4
147.11676	11.0
149.09627	14.2
149.13205	6.1
151.11180	39.3
157.10226	3.1
159.11725	10.5
161.09604	5.2
163.11128	3.8
165.12860	2.3
167.10704	2.4
168.62975	2.1
173.13252	8.2
175.11179	2.9
177.12733	9.2
181.12242	2.5
183.11725	3.2
183.13692	3.2
187.13185	3.0
191.14293	3.2
197.13237	3.1
201.12828	4.8
201.14680	3.2
203.12782	15.3
207.13745	4.5
218.17839	2.5
219.13748	7.9
225.14876	3.0
237.14810	35.1
247.20564	5.9
257.19019	8.8
263.99783	2.3
275.20059	91.2
276.20520	4.4
277.53506	2.7
293.21075	100.0
294.21640	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.04093	1.7
53.03933	6.9
54.32446	1.6
55.01869	14.1
55.05281	2.1
55.05511	26.7
57.03431	4.3
65.03904	1.9
67.05505	45.5
67.05869	1.5
69.03424	4.6
69.07072	23.8
71.05007	2.5
71.08637	2.0
71.23661	3.8
76.98019	1.8
79.05491	45.8
80.82504	1.7
81.03425	10.0
81.07056	66.3
83.04968	7.8
83.08613	14.1
85.06519	6.4
91.05486	33.1
93.07047	36.2
95.04964	17.4
95.08607	32.8
95.85555	1.7
97.06533	18.4
97.10162	11.5
102.22083	1.8
105.07027	35.5
107.04941	10.7
107.07901	2.8
107.08591	40.4
109.06531	19.8
109.10159	16.5
111.08051	5.8
117.07029	9.9
119.08585	28.3
121.06492	6.4
121.10149	16.9
123.08044	8.5
123.11687	5.8
125.09637	10.2
129.06987	3.3
131.08569	17.4
133.10127	24.7
135.08040	8.2
135.11682	11.5
137.09587	9.1
139.11139	2.2
143.08549	3.5
145.10144	18.8
147.08006	3.3
147.11681	14.0
149.09593	18.3
149.13264	3.4
151.11200	11.2
155.08559	2.8
157.10098	1.9
159.11679	10.7
161.13300	5.4
163.11205	9.8
165.09084	5.0
165.12764	2.5
168.57587	1.6
169.10069	2.3
171.11697	2.9
173.13272	6.5
175.11189	3.6
177.12770	4.6
183.11734	3.5
187.11177	3.5
189.11189	5.1
191.14360	3.5
193.12274	2.9
229.19519	4.0
233.18967	2.3
239.17915	6.9
247.20581	7.2
257.19019	13.9
275.20059	100.0
293.21069	44.3
293.24307	2.8
313.77014	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	3.7
55.01866	12.5
55.05283	3.2
55.05513	38.9
57.03411	3.8
57.07069	6.5
61.78656	2.1
65.03938	2.3
67.05506	52.1
68.22602	1.9
69.03425	6.7
69.07070	27.9
70.13026	2.9
70.13425	5.4
71.05005	10.0
71.08621	12.7
79.05497	40.2
81.03417	18.2
81.07053	37.6
83.04979	8.7
83.08620	12.4
85.02897	9.4
85.06538	5.8
88.85049	1.8
91.05487	31.0
93.07043	39.3
95.04395	4.2
95.04971	69.6
95.08605	72.4
97.06499	7.7
97.10169	8.6
98.20885	3.1
99.04449	2.3
99.08118	10.4
105.06390	3.6
105.07024	25.4
107.04947	10.9
107.08594	38.9
109.06514	8.5
109.10148	28.1
111.08059	6.7
113.06040	2.7
117.07029	9.9
119.08588	21.6
120.51531	1.8
121.06516	5.5
121.10155	13.9
123.08061	12.4
123.11702	3.2
125.09644	7.4
127.11198	3.8
129.07031	2.7
131.08575	11.2
133.10115	26.9
135.08044	7.2
135.11699	7.5
137.09608	17.9
139.11180	4.6
145.10121	12.8
147.08014	2.5
147.11655	9.5
149.09644	15.0
149.13219	3.6
151.11188	61.7
155.10649	33.4
159.11679	12.3
161.09570	4.8
161.13272	3.0
163.11172	11.4
165.12794	4.0
173.13240	6.4
177.12740	12.3
179.10605	7.7
183.11710	3.0
185.13370	2.3
189.11217	6.0
189.19214	2.1
205.12250	3.3
223.13246	13.0
229.19492	3.5
237.14873	5.9
247.20598	8.9
251.20045	3.7
257.18933	6.8
265.21597	2.5
275.20071	56.5
293.21085	100.0
294.21320	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	2.5
55.01868	9.4
55.05273	2.1
55.05510	19.3
57.03432	2.8
57.07058	5.7
67.05505	31.8
69.03419	1.8
69.07067	79.9
69.47421	12.8
71.04974	4.5
71.08620	5.4
73.06557	1.8
79.05486	34.4
81.03416	17.7
81.07056	35.9
83.04971	7.7
83.08617	3.6
85.02901	2.8
85.06544	4.0
91.05479	26.7
93.07040	39.8
95.04966	87.6
95.08605	28.2
95.84471	1.5
97.06519	10.5
97.10149	6.5
99.08076	4.9
105.07034	25.0
107.04950	22.6
107.08596	21.2
108.07013	1.4
109.06535	7.5
109.10167	10.5
111.04482	1.6
111.08105	1.7
117.06991	8.1
119.08574	19.4
121.06516	7.4
121.10135	20.4
122.07316	1.4
123.08067	6.9
123.11715	2.1
125.09630	2.7
129.06970	3.4
131.08553	11.5
133.10117	18.0
135.08054	29.4
135.11690	3.6
137.09581	4.4
139.11159	10.5
143.08548	3.4
145.10118	9.4
147.08087	1.7
147.11693	7.5
149.09586	9.4
149.13269	2.5
151.11174	40.0
157.10167	3.3
159.11697	9.7
161.09610	5.2
161.13222	1.9
163.11185	2.3
171.11661	2.0
173.13295	6.1
177.12735	12.5
179.14389	1.6
183.11650	1.7
187.13269	2.3
191.14362	3.0
197.13274	2.3
201.12733	4.2
203.12799	8.2
207.13733	7.9
209.15323	1.8
219.13762	6.5
225.14873	4.5
229.19359	2.8
237.11183	1.9
237.14838	31.5
239.18024	2.4
247.20560	5.1
251.16315	2.6
257.19009	6.8
259.06155	1.4
275.20053	68.2
276.20496	2.4
291.33170	1.8
293.21091	100.0
294.21445	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03940	5.6
55.01862	7.4
55.05281	2.2
55.05515	23.9
57.03421	4.3
57.07068	6.2
66.81151	1.9
67.05511	27.9
69.03411	2.7
69.07067	35.2
70.75842	5.4
71.04976	3.5
71.08614	2.8
78.07604	2.1
79.05494	55.4
81.03407	11.2
81.06609	2.7
81.07056	31.3
83.04974	8.2
83.08607	7.5
85.06528	4.9
90.25119	2.0
91.05470	30.2
93.06507	3.4
93.07047	48.0
95.04967	24.5
95.08609	24.9
97.06542	6.7
97.10168	7.1
99.08075	5.7
105.07029	26.2
107.04961	50.2
107.08599	28.7
107.31538	2.0
109.06508	7.1
109.10157	12.1
111.08121	3.1
117.07025	9.4
119.08576	28.6
121.06509	3.3
121.10136	26.3
123.08105	3.6
123.11700	2.2
125.09681	2.1
129.06985	3.1
131.08591	16.4
133.10123	22.0
135.08046	36.5
135.11694	3.1
137.09633	3.5
139.11171	6.2
143.08540	2.9
145.10124	7.0
147.11650	11.5
147.28934	2.0
149.09612	10.8
151.11188	37.8
159.11699	10.0
161.09579	2.9
161.13281	3.1
163.11150	5.4
173.13225	4.9
177.12752	3.8
183.13924	4.0
191.14317	3.0
203.12755	7.4
205.12141	1.9
207.13733	2.8
213.41199	2.2
229.19548	3.6
233.15280	3.0
237.14922	3.8
239.17935	4.1
247.20537	6.9
257.19049	9.1
275.20068	100.0
276.20251	4.5
277.85995	2.1
293.21115	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	294.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04325	0.6
54.55065	0.5
55.05512	0.6
56.96550	1.6
65.03937	1.1
67.05502	1.0
67.51402	0.6
69.03438	1.5
69.07058	0.7
70.06573	1.3
71.04982	0.8
71.49327	0.7
72.07170	0.7
79.05471	1.1
81.03415	0.9
84.04507	0.8
84.08129	1.8
85.02879	2.3
86.09709	1.3
87.04442	0.8
91.05479	11.1
93.07059	1.1
95.04969	0.8
95.08607	0.8
97.02882	1.4
97.06530	6.7
98.97567	5.8
105.07034	2.3
107.04913	1.8
107.08591	1.5
109.02906	0.6
116.98604	2.8
119.01749	0.7
119.04935	26.7
119.08569	1.3
120.08051	1.0
121.06506	0.8
123.08062	1.9
128.98604	1.0
134.99605	1.0
135.04431	1.0
135.08107	0.7
137.09583	1.5
147.04398	100.0
147.11653	0.8
148.04741	1.1
148.07520	1.0
158.99670	1.5
161.01259	0.9
162.73596	0.6
164.07143	0.9
165.05484	2.3
169.05260	0.6
170.22133	0.6
175.07222	0.7
177.00710	2.5
177.05513	0.7
183.25574	0.8
189.00658	1.3
189.12743	1.2
191.03827	3.7
191.07001	0.7
200.04436	2.4
200.54572	0.8
219.01767	1.8
222.08293	1.2
231.10141	2.2
234.07912	0.7
235.09596	0.7
237.02800	2.1
248.12801	2.8
261.02917	1.1
271.05640	0.6
277.10757	1.0
279.03830	3.0
283.14560	0.7
294.10278	2.6
294.13583	2.2
294.17371	1.2
294.20807	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	294.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37760	0.8
50.60108	0.7
52.30775	0.7
53.03945	1.9
55.01866	1.5
55.05508	3.6
56.05841	0.8
56.96561	6.6
57.03443	0.8
67.05507	5.1
68.21320	0.8
69.03419	2.9
69.07072	4.1
70.06586	1.0
70.07416	1.0
71.04987	0.9
71.49775	1.3
73.51089	0.9
75.83312	0.8
79.05500	6.0
80.05025	4.1
80.05840	0.9
81.03410	2.0
81.07058	4.4
82.07380	2.7
83.04980	2.3
83.08611	1.8
84.08929	1.0
85.02916	2.0
87.04469	72.0
91.05460	2.6
93.07041	3.4
94.07373	1.1
95.04951	4.1
95.08611	4.9
96.08925	1.2
97.06535	4.2
97.10160	1.5
98.97603	1.3
99.04451	0.9
105.03426	5.1
105.07033	3.0
106.02924	1.3
106.06579	1.0
106.07375	1.4
107.04228	1.7
107.04955	32.7
107.08601	2.5
108.04485	16.5
108.05213	0.6
108.08947	1.1
109.10171	2.1
111.04439	1.3
116.98627	1.4
119.08555	1.9
120.08121	2.0
121.06525	1.8
121.10158	1.6
122.10498	1.4
123.08070	1.0
124.03958	10.7
124.08447	0.8
131.08537	1.5
133.10124	1.5
134.06018	0.8
134.07336	0.8
134.10556	1.0
134.99643	1.4
135.08083	1.6
138.04474	1.6
138.05504	25.0
140.07074	12.5
145.10161	1.0
146.10454	0.9
148.07579	6.6
151.11121	1.0
152.11526	1.2
158.99655	1.0
164.03760	0.9
164.07059	1.9
165.05473	3.5
166.13110	0.8
169.10184	0.8
173.39470	0.8
176.07108	6.2
179.02336	0.8
188.10742	0.9
194.06471	1.6
194.08133	22.2
195.11806	1.0
208.09521	0.9
210.07697	4.5
215.56700	1.1
224.06973	1.7
224.09177	30.2
226.10744	49.2
238.09302	1.0
259.17120	0.9
262.10745	100.0
263.11139	3.5
276.20425	4.3
278.52734	0.7
284.62851	1.1
294.10037	1.2
294.13379	15.4
294.21442	6.0
294.24399	1.4
295.05884	1.0
295.12885	1.7
311.73032	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	294.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.9
55.05508	11.5
56.05856	2.4
56.96558	9.6
57.03435	3.2
58.34227	1.3
65.03935	1.8
67.05511	7.2
68.05830	2.1
69.03432	4.9
69.07072	7.1
70.18002	5.1
71.04989	3.8
73.02908	1.6
73.06538	2.2
74.90622	1.4
79.05480	7.8
80.05019	5.2
80.05812	1.4
81.03416	3.4
81.07058	9.0
82.07381	1.7
83.04965	3.7
83.08630	1.7
84.04507	1.6
84.05310	1.9
84.08148	1.6
84.95992	1.5
85.02901	5.0
87.04469	100.0
88.70784	1.5
91.05482	4.9
91.07529	1.4
93.07050	6.5
95.04962	4.2
95.08611	7.1
96.04508	2.3
96.08931	2.6
97.02879	1.8
97.06529	9.0
98.97573	3.9
103.05497	2.1
105.07021	3.6
106.02916	2.6
106.06569	1.9
106.07368	1.8
107.08582	3.2
108.04499	7.2
109.06520	2.7
109.10142	3.3
110.10535	2.2
116.98606	2.1
119.08589	4.3
120.08092	3.1
120.08896	2.0
121.02851	1.6
121.06490	2.5
121.10138	3.7
122.10498	1.6
123.11709	2.2
124.03963	4.0
129.06976	2.2
130.07390	2.2
131.08586	3.3
134.10440	2.3
134.99657	2.0
135.04443	1.7
135.08041	2.7
136.06163	9.8
136.08434	1.8
138.05502	75.8
140.07072	11.7
143.00162	2.3
144.08913	1.7
146.10446	1.6
147.08000	2.8
148.07538	2.4
149.02332	18.0
150.02698	19.1
151.03925	3.7
151.11232	2.3
153.40141	1.5
158.99641	1.8
161.01222	5.4
161.06001	1.5
163.03943	3.2
163.07579	2.7
163.11166	2.3
164.07080	2.3
166.08656	3.6
175.07562	3.1
176.08072	2.6
177.00743	2.0
178.13086	1.6
179.02321	1.8
185.01347	1.3
188.31415	1.5
192.10187	1.5
194.08133	7.2
203.07202	2.4
204.07428	6.2
224.09177	98.8
225.09525	3.5
226.10744	40.6
231.01892	1.8
232.06830	2.0
249.02916	7.0
252.12338	8.4
259.09616	2.6
262.10709	16.1
264.88504	1.6
267.03915	4.3
272.70050	1.4
276.16721	4.0
276.20358	6.6
281.03616	1.5
285.09921	1.9
294.13675	13.0
294.18976	2.6
294.21777	2.8
295.13089	2.7
312.12793	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	294.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54966	0.3
55.05494	0.6
56.27623	0.3
56.96560	1.0
59.04993	0.5
67.05493	0.7
69.03437	1.3
69.07053	0.5
70.81831	0.7
70.82195	0.5
71.04995	1.0
79.05501	3.0
80.05013	0.5
81.07066	0.6
83.04963	0.3
85.02911	0.6
87.04469	39.8
88.04811	0.5
91.05473	1.7
92.05793	0.3
93.07049	0.6
95.04959	0.8
95.08602	0.8
97.06544	1.0
98.97607	0.3
101.06076	0.4
103.05515	0.5
105.07021	0.6
106.06554	16.3
107.04964	0.5
107.07357	1.8
107.08543	0.3
108.08112	0.4
109.10159	0.4
109.76262	0.4
109.89563	0.3
118.06569	0.4
118.39064	0.3
119.04939	0.6
119.08617	0.3
120.08113	1.1
121.06508	0.7
122.05971	0.6
131.07265	0.3
131.33223	0.3
132.08054	0.3
133.76514	0.3
134.06003	8.6
134.51207	0.3
135.06421	0.3
136.06233	0.7
136.07542	0.4
138.05499	0.8
138.99474	0.4
139.03880	0.4
139.99789	0.4
140.99184	0.5
146.06029	0.4
146.09660	1.3
148.07581	0.9
149.06027	0.7
150.05510	4.8
150.09032	0.3
151.06241	0.4
152.07045	0.7
164.07074	10.9
165.07791	1.2
166.08636	14.8
174.09138	4.9
175.09842	0.4
176.07083	1.1
176.10681	1.1
180.10185	0.4
190.08653	0.5
192.10188	11.3
193.10980	1.8
202.08656	3.9
206.11786	0.6
208.09526	0.6
210.07652	0.3
220.09685	15.9
224.09094	0.4
234.11250	4.1
236.09140	1.4
237.09882	0.6
239.06691	0.3
249.02808	0.3
250.10728	5.8
251.11606	0.3
252.12308	100.0
253.12660	3.3
262.10709	2.0
266.13855	0.4
276.20468	0.4
291.12891	0.3
294.13342	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	294.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03648	0.5
55.05495	1.5
56.96557	2.0
57.03419	1.2
58.54786	0.5
63.68652	0.6
67.05492	2.1
69.03420	2.2
69.07065	1.1
70.06592	0.7
70.07401	0.7
71.05008	1.4
71.49371	1.0
73.02908	1.7
73.43341	0.5
79.05510	3.6
81.03404	0.9
81.07057	2.5
83.05042	0.6
85.02910	1.4
86.09702	0.5
87.04472	37.6
91.05491	3.0
93.05811	0.6
93.07059	1.4
95.04939	1.5
95.08607	1.2
97.02907	1.4
97.06530	2.1
98.97579	2.0
105.07029	2.0
106.06559	13.2
106.07281	0.9
107.07375	0.7
107.08574	1.4
108.04462	0.6
108.08885	1.0
109.10146	0.9
110.97565	1.0
116.98611	1.9
118.67226	0.6
119.04890	0.7
119.08570	1.3
120.08095	1.7
121.06468	1.0
121.10129	1.2
124.07563	1.1
125.09583	0.8
128.98607	0.8
133.10130	1.3
134.06030	6.3
135.11681	0.7
137.06001	0.7
137.09602	0.6
137.86597	0.6
138.05484	1.0
139.03932	0.6
145.10106	0.6
146.09637	1.0
146.99689	0.8
148.07617	1.2
149.02335	2.6
149.06006	0.7
150.02666	1.8
150.05484	3.6
152.07045	0.7
155.02869	0.9
159.11714	1.0
161.01190	0.8
164.07062	10.3
165.07896	0.9
166.07251	0.9
166.08646	12.6
168.31221	0.5
170.99684	0.9
174.09100	4.1
175.07629	0.6
176.03339	1.0
176.10699	1.5
177.00667	1.3
178.08624	0.7
180.10135	0.7
185.03925	1.7
189.00743	1.4
190.08591	0.8
192.10214	10.1
193.10899	1.5
202.08675	3.8
204.07341	0.7
208.09749	0.7
209.11765	0.5
214.08690	0.6
220.04012	0.5
220.09680	14.8
228.10127	0.8
231.01828	0.7
234.11392	3.1
236.09200	1.2
239.02344	0.6
249.02832	2.0
250.10771	5.8
252.12321	100.0
253.12691	2.6
262.10745	2.2
267.03928	0.6
276.12350	1.0
291.03937	1.3
294.09140	1.0
294.13315	6.8
294.17230	1.0
294.20959	1.3
295.09436	0.8
295.13348	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	294.1449
Annotation	Gln Phe
Peak:m/z	Relative Intensity
53.03921	1.1
55.93516	1.1
56.05035	8.1
56.96553	2.7
64.56841	0.9
67.05495	0.8
67.46032	0.8
70.06590	2.0
70.23017	3.2
72.08160	1.2
77.60616	0.9
81.03430	1.0
83.06105	58.7
84.04505	64.9
84.08150	4.7
85.02902	4.5
86.09705	2.6
87.61263	0.8
91.05464	2.4
93.07027	0.9
97.02830	1.5
98.97575	2.2
98.98375	0.9
101.07144	9.3
103.05438	4.4
107.04932	1.5
116.98635	1.2
119.04893	1.5
120.08102	100.0
121.08436	0.9
129.06685	1.5
131.04895	2.0
135.04420	2.6
135.28146	0.8
137.09706	0.8
147.04417	6.4
148.07513	1.3
149.05966	1.9
150.07715	1.1
163.03897	11.1
166.08635	34.4
177.00771	1.2
186.09099	5.2
193.04942	3.4
204.06561	2.9
204.10226	2.0
207.06358	1.0
230.12839	3.3
231.11295	23.5
232.09528	1.3
234.04039	2.2
237.02827	1.0
250.10684	2.4
259.10837	1.5
276.13431	56.9
277.11786	20.7
294.06250	1.6
294.13626	2.9
295.07922	1.7
300.10007	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	294.1813
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
55.01860	0.4
55.05513	1.1
55.93536	0.2
56.05033	2.9
56.96567	1.2
57.03432	0.7
58.06593	0.4
60.04528	0.4
61.02914	0.6
67.05507	1.3
67.93731	0.2
68.04996	0.2
69.03425	1.7
69.76974	0.6
69.77399	0.7
70.06592	0.9
70.58443	0.2
71.04967	0.3
72.04508	0.6
72.08142	1.1
73.02925	0.6
73.06551	0.6
74.06075	0.4
79.05473	0.3
81.03416	0.7
81.07037	0.3
82.06536	0.4
83.04983	0.2
83.06123	0.5
84.04514	1.4
84.08141	100.0
85.02898	3.0
85.06545	0.5
85.08467	0.2
86.06054	0.4
86.09700	1.1
87.04459	0.3
88.03992	0.3
88.07628	0.9
91.03947	0.4
91.05474	0.6
95.04955	0.4
96.04471	0.2
97.02870	1.7
97.06533	0.3
98.06052	0.2
98.97566	1.5
99.04488	0.2
101.06030	0.4
101.10777	3.5
102.09149	0.3
103.05483	0.3
109.02874	0.4
110.06034	0.3
111.09208	0.3
112.07599	0.7
114.09167	2.1
116.98624	1.2
119.01845	0.3
120.08099	5.0
121.00464	0.2
126.05589	0.3
126.09116	0.2
127.03918	0.8
128.43668	0.2
128.98610	0.2
129.10236	15.3
130.08614	2.0
131.99689	0.2
132.08098	0.6
132.10193	4.9
134.09743	0.2
134.98100	0.3
134.99651	0.6
135.02676	0.2
136.07579	0.3
139.09775	0.3
144.95819	0.2
145.04967	0.5
146.99586	0.5
147.04382	0.3
147.11284	4.5
150.00771	0.3
150.05464	0.2
152.02336	0.2
154.08655	0.6
155.04625	0.6
158.99657	0.4
160.07614	0.2
161.02898	0.3
163.03976	0.4
164.05159	0.4
164.07095	0.3
166.08644	1.0
168.05475	0.6
168.55702	0.3
170.55399	0.2
174.00902	0.2
175.02832	0.3
177.00766	0.8
177.04266	0.5
177.05911	1.2
178.04965	0.3
186.07613	0.3
203.92088	0.3
204.04778	0.2
204.06648	0.4
204.08641	1.1
206.06386	0.2
213.07045	0.3
213.08881	0.3
214.12381	0.2
222.05807	0.7
227.06665	0.4
230.13902	0.4
231.11334	0.2
231.14949	0.3
236.07404	0.3
237.02872	0.5
249.08150	0.3
250.05295	1.2
258.13440	0.4
259.14398	0.5
260.12732	0.5
276.14359	0.4
276.17062	0.6
277.12234	0.3
277.15463	6.0
294.00696	0.2
294.06662	0.3
294.18155	12.1
295.13156	0.3
309.08392	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	295.0812
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
55.01866	1.6
55.56179	0.5
56.96543	1.4
57.03445	2.6
58.97820	0.5
61.02911	1.5
61.12326	0.5
67.05502	0.8
69.03419	1.5
69.07047	1.9
70.06609	0.7
70.39803	1.0
70.40199	1.1
70.46420	0.4
71.01332	0.6
73.02918	3.7
75.04461	0.8
79.05465	1.7
81.03399	1.0
81.07029	0.8
84.04504	8.1
84.08119	1.2
85.02901	5.3
86.09700	10.7
89.03909	2.4
91.01875	0.5
91.05472	1.9
93.07003	0.8
93.40991	0.5
95.04964	0.8
97.02881	1.9
98.97559	0.9
101.02378	1.4
102.05539	1.3
103.03944	9.8
103.05474	2.2
105.03348	0.5
105.06984	0.8
107.04959	1.4
115.05447	2.4
116.98583	1.1
117.03378	2.7
117.06991	0.9
119.04922	1.0
120.08104	13.7
121.02802	0.6
121.10231	0.5
123.04410	1.1
127.03898	0.6
129.07018	1.2
131.04955	2.6
132.95854	0.5
133.71625	0.5
135.04414	22.5
135.05457	1.1
137.02304	0.9
137.05891	0.8
139.03925	0.8
143.04913	3.0
145.02829	2.4
145.04930	0.7
146.05991	0.8
147.04420	8.5
149.05952	1.2
150.07713	1.6
155.37451	0.5
157.06461	1.2
159.04391	0.6
161.05972	6.2
163.03899	100.0
164.04324	0.8
165.05470	2.1
166.08644	5.6
169.06520	0.9
171.04424	1.1
173.05954	1.1
175.03894	5.4
175.07458	0.9
175.52020	0.5
177.05455	5.4
177.86559	0.5
179.03333	2.4
181.04990	0.5
185.05952	1.4
187.04062	1.6
187.07498	0.7
189.05453	8.6
191.03394	1.8
193.04962	44.4
196.54907	0.5
201.05463	0.8
203.07022	1.4
205.04955	2.9
205.06688	0.6
207.06569	1.0
213.05444	2.9
215.07024	1.1
217.05060	4.9
219.06494	0.7
229.04846	0.5
231.06496	3.5
231.11281	3.9
233.04384	0.8
235.06024	2.3
237.02957	0.7
241.04892	0.8
247.06047	0.9
249.07518	1.1
249.54120	0.5
259.06100	2.4
273.06549	1.0
277.07062	2.0
277.11722	4.0
277.21771	0.7
295.08139	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	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03945	0.7
55.01869	1.7
57.03439	52.3
58.82994	0.5
59.04998	1.8
61.02931	13.3
65.29951	0.5
69.03432	49.7
71.01355	8.8
71.04994	1.9
71.49300	0.9
73.02920	100.0
75.04472	0.6
81.03424	3.3
81.07072	0.8
84.08147	0.6
85.02908	60.9
86.09724	1.0
87.04454	4.6
91.03961	2.2
91.05482	3.0
95.04939	1.0
97.02895	57.2
99.04479	2.3
101.02376	0.7
102.96867	0.9
103.03971	1.1
107.04958	0.7
108.59478	0.6
109.02895	3.0
115.03932	67.7
116.27148	0.5
121.06508	0.7
124.07635	0.7
127.03921	14.1
132.97939	0.7
133.04967	17.7
133.10098	0.7
136.06667	0.6
136.07590	3.1
137.05991	0.7
145.04962	13.5
150.98988	0.7
151.03940	1.5
154.08659	1.0
155.05045	0.5
157.05058	0.5
163.04051	0.7
163.05989	3.6
167.07037	1.0
192.99976	1.1
193.05022	1.4
196.19698	0.6
209.72322	0.6
222.66348	0.6
223.06024	2.0
232.10381	0.7
241.05110	0.7
241.07071	3.0
259.08075	1.4
293.55002	0.6
295.12012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1289
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
53.03944	1.6
55.05495	2.0
56.05038	4.8
56.96580	3.9
59.83368	1.2
61.02940	1.8
69.03435	4.2
69.07074	3.8
69.27057	5.0
69.27489	7.1
79.05508	1.8
81.07087	3.5
81.77739	1.2
84.04505	64.1
84.08139	3.1
85.02905	15.5
86.09705	25.1
86.10195	1.7
87.08150	1.5
91.05482	3.2
93.07053	2.2
95.04977	1.8
95.08611	2.3
97.02896	2.2
98.97576	1.3
102.05531	7.3
103.05478	3.6
103.34227	1.1
104.55539	1.1
105.07052	2.4
107.08577	1.6
109.02898	1.3
116.98615	2.5
120.08105	100.0
121.10181	1.4
123.04456	1.3
127.03943	2.4
131.05019	3.0
134.99721	1.7
135.04436	5.3
136.07631	4.4
145.04962	3.1
147.04433	5.0
148.04810	2.2
150.05508	1.4
150.07692	7.1
161.05952	1.6
163.03883	12.0
166.08638	48.8
166.09969	2.7
175.04089	1.2
177.00899	1.3
182.08170	3.6
186.09193	3.8
193.05066	4.6
213.38846	1.2
223.09111	1.5
231.11282	33.6
232.11687	1.5
259.10886	3.1
271.04977	1.8
277.11798	26.7
295.08536	2.0
295.13062	1.3
295.16626	2.8
295.23013	1.6
310.20718	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	295.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01864	2.7
55.05509	1.2
56.05039	1.2
56.96558	2.7
57.03445	4.2
57.03669	0.9
57.04539	1.1
61.02929	7.1
67.05482	1.3
69.03428	14.1
69.07072	9.0
70.06586	3.8
71.01364	1.1
71.04988	1.5
71.08628	0.7
71.48865	1.2
72.08155	2.6
73.02924	3.7
73.06545	0.8
74.06091	1.4
79.05494	1.6
81.03426	5.8
81.07050	1.7
82.65019	0.5
83.01341	0.7
83.04963	1.0
84.04495	3.1
84.08151	6.3
85.02906	67.4
85.08484	1.0
86.09711	4.4
87.04470	4.5
87.08118	8.3
88.04810	1.0
91.03956	3.3
91.05458	2.0
93.07034	1.3
94.04037	2.9
95.04963	1.3
95.08606	1.9
96.05565	0.8
97.02891	16.1
98.97552	1.6
99.04439	2.9
100.07620	1.8
101.02380	0.7
101.07125	0.6
101.07943	0.7
102.05498	0.9
103.05463	1.6
105.07041	1.2
106.06556	1.3
107.04951	1.3
109.02885	4.4
109.06532	1.0
109.57092	0.6
110.07133	0.7
115.03893	0.7
116.98634	1.4
119.04967	0.8
119.08524	0.9
120.08102	11.0
121.02843	0.8
121.06490	1.0
123.06654	2.9
124.07577	1.2
127.03912	12.0
129.10228	1.8
133.05193	1.3
133.06302	0.7
134.99655	1.0
135.07915	0.8
136.07588	2.6
137.06007	0.9
138.09140	0.9
139.03874	0.9
145.04962	15.4
145.06314	0.8
145.06516	0.7
147.04445	1.5
148.03928	2.1
148.07605	1.2
149.06052	1.2
149.07932	1.4
150.07750	100.0
151.03891	1.3
151.07693	0.7
156.45671	0.7
160.08037	1.6
161.01244	1.0
161.05965	0.7
163.03873	1.4
163.06017	1.5
166.08673	3.2
177.00693	0.9
177.07486	1.4
177.09048	1.1
181.04869	1.3
181.08484	0.7
192.10176	1.2
193.10588	1.8
219.01709	1.2
221.06084	1.2
249.16006	1.1
263.11160	2.1
277.11682	1.1
295.06000	1.6
295.10843	1.4
295.13562	5.0
295.16711	2.6
296.11374	0.9
298.08893	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	295.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01872	2.6
55.05510	0.9
56.96567	0.8
57.03432	6.3
57.07074	0.8
61.02922	9.8
69.03429	19.0
69.07067	10.9
70.06591	1.7
71.01348	1.0
71.04998	2.0
71.33521	0.9
72.08157	2.0
73.02920	4.8
73.06551	0.9
73.12394	0.6
79.05478	1.5
81.03423	7.1
81.07055	0.8
83.01343	1.1
84.04487	1.4
84.08154	3.8
85.02905	100.0
86.09711	6.2
87.04472	2.6
87.08107	14.7
91.03958	5.4
91.05484	20.0
93.34132	0.6
95.04987	0.6
95.08601	0.7
97.02893	20.6
97.06529	0.7
99.04456	2.9
101.02380	0.6
103.66096	0.6
105.09124	0.7
107.04970	1.1
109.02883	7.4
115.03921	0.8
116.07054	0.6
119.04945	11.9
120.08148	0.9
121.06526	2.6
124.07620	1.1
127.03912	18.6
129.10281	1.8
131.05003	0.6
132.10199	1.5
133.08661	0.9
133.10069	0.7
135.04483	0.7
136.07576	81.0
145.04965	20.7
147.04428	2.4
148.04793	1.1
149.06042	0.8
150.07729	5.2
151.03940	1.0
163.06065	2.1
182.08145	0.9
249.15942	1.0
278.13889	0.7
295.13620	1.0
295.16605	5.0
307.11932	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	295.1653
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
53.03928	0.2
55.01878	0.3
55.05511	0.5
56.96555	0.3
57.03430	0.9
61.02929	1.2
65.03943	0.4
67.05499	0.5
69.03431	2.1
69.07072	2.3
70.06583	0.7
71.04989	0.3
71.48595	0.2
72.08158	1.0
73.02904	0.8
74.02445	0.6
79.05498	0.4
81.03414	0.9
81.07031	0.7
83.04991	0.4
84.04489	0.5
84.08165	1.1
84.56514	0.2
85.02911	10.3
85.06519	0.3
86.09709	5.6
87.04468	0.6
87.08097	0.5
90.94792	0.2
91.03964	0.5
91.05485	21.2
92.05791	0.4
93.07059	0.4
95.04994	0.5
95.08628	0.5
97.02896	2.6
97.06494	0.2
98.97587	0.6
99.04470	0.3
100.07583	0.4
102.05537	0.3
105.07023	0.4
106.06543	0.2
107.04969	0.9
107.08585	0.3
108.08157	0.2
109.02895	0.9
109.06525	0.8
115.08566	0.2
116.65388	0.2
116.98602	0.3
117.07007	0.3
118.06548	1.1
119.04948	15.1
119.08601	0.3
120.05286	0.4
120.08123	0.4
121.06504	2.3
123.08082	0.3
127.03916	1.9
129.10263	0.8
130.05006	0.3
130.08678	0.5
132.10214	2.2
133.06441	0.3
134.06042	0.3
135.04453	0.3
136.07582	100.0
137.05945	0.2
137.07918	0.7
145.04958	2.3
145.06128	0.4
147.04391	1.5
148.04778	0.8
150.07756	1.2
151.03838	0.5
154.08678	0.3
161.10776	0.7
163.03943	0.4
163.05978	0.5
177.00706	0.3
177.09151	0.3
204.13799	0.2
209.95084	0.2
221.06076	0.4
229.09470	0.2
232.13394	0.4
237.02768	0.3
249.09608	0.3
249.16087	1.2
250.14445	0.8
262.77567	0.2
263.11063	0.3
271.50998	0.2
277.11975	0.4
277.15506	0.5
278.13873	1.2
295.06097	0.4
295.09842	0.8
295.13541	0.8
295.16501	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	295.2266
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03941	7.8
55.01878	46.4
55.05513	48.3
57.03418	8.5
57.07070	12.1
62.74605	3.3
67.05502	71.1
69.07075	44.9
69.32176	3.2
70.05724	4.0
71.04970	7.0
71.08621	27.8
71.20323	8.6
72.05656	3.9
79.05495	43.8
81.03413	17.1
81.07059	66.2
83.04979	21.7
83.08611	28.6
85.10166	9.1
88.73618	3.2
91.05473	43.9
93.07045	43.9
95.04973	28.9
95.08603	49.6
97.06554	20.3
97.10149	10.5
99.08102	24.4
105.07036	39.2
107.04938	8.3
107.08612	23.2
109.06503	12.2
109.10166	26.4
109.97294	3.3
111.08082	39.5
113.09631	11.7
117.07038	7.8
119.08568	19.2
121.10157	27.7
123.08051	7.9
123.11688	7.1
125.09624	11.3
127.56640	4.0
129.07024	6.2
131.08534	4.9
133.10161	20.6
135.08067	6.6
135.11679	14.5
137.09564	8.7
139.11137	8.8
145.10120	5.8
147.11688	23.7
149.02319	10.1
149.09592	7.3
149.13223	7.7
151.11140	19.7
153.12784	7.1
157.10127	6.9
161.13278	13.7
163.11163	8.7
165.12764	22.7
171.11682	4.2
179.14270	10.5
189.12805	3.9
207.13829	4.2
230.84749	3.5
231.21111	7.5
241.19392	6.6
249.22069	8.6
259.20581	11.1
277.21646	100.0
279.05798	3.6
295.13394	5.4
295.17209	3.5
295.22644	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	295.2267
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	5.8
55.01858	6.6
55.05513	23.1
56.96552	3.9
57.03429	5.3
57.07066	7.1
67.05505	49.3
69.03405	4.6
69.07073	25.3
69.79367	8.7
71.05006	4.1
71.08629	23.0
73.06541	2.1
79.05485	30.9
81.03421	16.7
81.07048	31.2
83.04987	11.3
83.08614	9.6
85.02863	1.9
85.06550	4.5
91.05480	18.9
93.07049	31.8
95.04388	2.3
95.04965	22.7
95.08601	27.8
97.06511	8.2
97.10164	5.8
98.20871	3.0
99.08092	17.8
105.07027	12.5
107.04942	2.1
107.08589	15.7
109.06507	7.3
109.10142	15.6
111.08083	3.8
117.07034	4.6
119.08602	11.7
121.10159	10.2
123.08060	3.8
123.11681	2.5
127.11214	2.1
129.06998	3.8
131.08556	5.4
133.06458	2.2
133.10092	8.2
135.08023	3.4
135.11685	12.3
137.09624	11.5
139.11151	7.0
140.66324	1.8
143.08549	3.7
145.10114	5.9
147.11665	5.2
149.13257	4.1
151.11189	21.2
153.12727	2.1
155.82529	1.7
157.10129	3.3
159.11729	4.0
161.13249	5.5
163.11183	6.1
165.07013	2.3
165.12720	2.7
173.13235	3.1
175.14862	3.1
179.14311	5.2
183.08066	2.0
185.13338	2.4
193.15799	1.7
211.11063	1.7
217.08601	2.5
221.15417	4.8
241.19498	2.3
249.22067	3.5
259.20599	3.9
277.21625	72.6
295.10071	1.6
295.13150	7.8
295.22690	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.52118	1.6
53.03948	3.5
55.01870	5.1
55.05509	24.4
57.03436	4.5
57.07063	3.2
67.05506	66.2
68.30902	1.7
69.07068	31.2
69.57557	14.7
71.04988	10.2
71.08626	8.8
73.06525	2.7
79.05491	29.1
81.03418	4.2
81.06609	2.8
81.07058	43.8
83.04974	8.3
83.08594	8.2
85.06518	3.2
85.85441	1.9
91.05475	14.4
93.07040	60.8
95.04964	6.4
95.08604	100.0
97.06507	8.4
97.10164	11.9
99.08092	13.4
105.07028	13.8
107.08591	21.5
109.06516	3.0
109.10158	14.4
111.08111	2.5
111.11709	5.1
113.09644	2.1
117.06989	2.7
119.08573	13.4
121.00496	2.3
121.10150	35.7
123.08064	2.7
123.11690	6.0
131.08568	6.4
133.10133	11.8
135.07982	2.3
135.11694	18.2
137.09595	4.7
139.11169	12.7
145.10149	5.7
147.11673	7.4
149.09665	2.1
149.13255	6.9
151.11186	10.0
159.11700	3.8
161.13237	7.6
163.11183	6.0
163.14778	2.4
171.11658	3.0
173.13205	4.0
175.14885	3.8
179.14326	2.8
185.13307	3.5
187.13316	3.3
189.16306	3.4
199.14848	1.9
203.12793	11.7
221.15302	2.2
225.84155	2.2
231.21022	2.3
235.16861	2.8
241.19487	4.3
249.22061	2.2
259.20563	19.9
261.05148	2.1
277.21631	80.2
278.22107	3.1
279.88577	1.9
295.22653	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	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.11152	0.9
53.03947	5.4
55.01857	4.9
55.05515	20.2
57.03424	4.1
57.07066	3.1
65.03926	1.6
67.05504	41.8
67.32975	1.1
69.03425	3.7
69.07071	19.7
69.94707	5.3
71.04974	3.3
71.08630	21.6
79.05031	1.4
79.05492	25.7
81.03419	17.8
81.06618	1.6
81.07059	25.7
83.04998	8.9
83.08611	4.7
85.06532	3.2
91.05486	13.3
91.95708	1.0
93.07042	28.6
95.04971	19.9
95.08609	25.0
97.06537	9.1
97.10152	4.3
99.08090	14.2
105.07027	7.5
107.08595	12.0
109.06499	4.3
109.10164	15.8
117.07034	1.6
119.08601	8.8
121.10149	10.4
123.08075	1.1
123.11694	1.8
131.08534	2.1
133.10127	4.8
135.07970	1.8
135.11656	6.4
137.09616	9.9
139.11253	5.0
143.08556	1.6
145.10130	1.7
147.11716	3.0
149.09644	1.6
149.13271	3.4
151.11188	23.1
153.12714	2.1
159.11685	1.6
161.13264	4.5
163.11220	2.4
165.12743	3.4
171.11717	1.6
179.14284	3.4
185.13300	1.4
190.41045	1.1
207.13776	1.2
221.15355	5.7
222.73563	1.1
241.19487	1.7
249.22173	2.8
259.20609	3.3
277.18509	2.7
277.21613	67.4
295.22672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	6.7
55.01860	5.4
55.05248	1.8
55.05512	28.2
57.03429	3.4
57.07080	11.2
63.19180	1.6
67.05508	50.5
69.03426	3.0
69.07067	20.1
69.54897	11.7
71.04993	3.9
71.08640	14.1
79.05493	27.3
81.03422	22.8
81.07059	37.1
82.73859	1.4
83.04984	10.8
83.08614	12.8
85.02498	1.5
85.06527	2.8
85.10188	15.5
91.05488	14.6
92.28310	1.5
93.07049	30.6
95.04975	23.7
95.08607	20.6
97.06539	4.0
97.10180	11.6
98.21481	2.7
99.08102	14.2
105.00239	1.7
105.07045	14.5
107.04950	3.1
107.08603	16.6
109.06533	4.5
109.10177	12.2
111.08029	2.9
111.48320	1.7
113.09628	10.8
117.07007	3.6
119.08599	9.0
121.10131	9.0
123.08033	3.2
123.11708	3.8
125.09626	6.6
131.08565	4.9
133.10155	7.9
135.08040	1.6
135.11665	5.1
137.09669	2.9
141.55814	1.6
143.08524	3.2
145.10098	4.1
147.11702	6.6
149.09669	3.9
149.13283	5.5
151.11200	20.6
153.12727	2.8
155.10606	2.2
159.11789	2.5
161.13260	7.2
163.11150	4.7
163.14789	1.6
165.12766	31.1
171.11699	2.4
173.13316	2.3
179.14299	5.4
189.11211	4.2
189.12814	2.3
199.14810	2.2
207.13766	4.6
221.15479	2.0
231.21129	1.9
237.93114	1.6
241.19499	4.5
249.22304	2.2
259.20560	5.7
277.21631	72.9
295.22693	100.0
296.23035	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	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03940	5.9
55.01868	16.2
55.05512	50.7
56.96541	3.1
57.03426	6.7
57.07068	7.2
59.04979	2.8
62.57777	2.5
67.05505	100.0
69.03420	5.0
69.07070	36.6
69.90404	7.5
69.90819	5.9
71.04985	6.3
71.08633	12.3
71.08975	2.8
79.05495	46.8
79.43273	2.3
81.03398	10.5
81.06608	4.3
81.07059	71.5
83.04983	21.4
83.08604	21.2
85.06529	7.9
91.05471	32.8
93.06513	3.5
93.07050	53.3
95.04974	25.2
95.08610	52.9
97.06513	12.4
97.10176	19.8
99.08085	12.4
105.07026	26.5
107.08591	31.3
109.06516	6.1
109.10159	31.6
111.08074	13.2
111.11681	2.7
113.09660	2.9
117.07022	6.8
119.08573	21.6
121.10147	28.6
123.08060	6.4
123.11703	8.2
125.09605	10.5
129.06989	4.6
131.08585	7.1
133.10110	17.4
135.08043	3.5
135.11697	20.0
137.09595	7.6
138.89886	2.6
139.11163	11.3
143.08578	5.3
145.10034	2.5
147.11690	14.9
149.09557	5.1
149.13248	9.6
151.11188	10.0
153.12720	3.9
153.25290	2.7
155.10733	2.7
157.10135	3.1
158.29552	2.5
161.13248	10.2
163.11302	5.0
165.12752	9.5
167.14307	2.7
171.11664	5.1
173.13318	4.1
175.11266	3.6
175.14870	6.1
177.12805	2.5
177.16299	2.8
179.14249	6.9
181.12260	2.8
189.11230	6.6
193.16017	2.5
195.13696	3.6
207.13770	5.6
221.15361	5.2
241.19545	3.4
243.15926	2.4
249.22081	5.8
259.20593	10.4
277.21625	89.2
295.22662	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03945	9.0
55.01873	31.9
55.05514	47.1
57.03429	5.4
57.07058	6.2
65.03938	3.2
67.05507	73.7
69.03416	5.6
69.06743	3.4
69.07072	43.4
70.63581	3.7
71.04983	7.5
71.08643	18.4
73.06535	2.5
78.65003	2.5
79.05499	44.0
81.03422	24.0
81.06602	4.0
81.07060	63.4
82.35884	1.9
83.04994	18.2
83.08625	16.0
85.06542	5.4
91.05476	28.4
93.07049	54.5
95.04970	24.6
95.07996	3.8
95.08607	70.2
97.06538	13.2
97.10159	15.8
99.08082	9.2
105.07036	16.1
107.08604	28.6
109.06520	8.3
109.10161	35.2
111.08112	3.5
111.11671	3.6
113.09661	2.8
119.08587	22.0
121.10146	22.7
123.08073	35.6
123.11701	6.5
125.09622	12.1
129.06993	3.6
131.08591	5.0
133.10146	14.1
135.11667	17.1
137.09621	31.7
139.11165	30.3
143.08485	2.6
145.10133	3.1
147.11668	8.4
149.13254	10.1
151.11192	14.0
153.12729	4.8
161.13268	8.8
163.11192	4.2
163.14801	2.3
165.12764	7.3
167.14328	3.8
173.13344	3.3
179.10649	2.8
179.14359	6.0
181.12251	5.1
185.13275	2.6
189.11235	5.5
190.44278	2.1
191.14270	3.3
193.16032	3.3
221.15359	5.9
231.21088	7.8
241.19542	6.1
249.22141	21.3
259.20645	8.9
277.18555	3.0
277.21619	87.2
295.22699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03947	4.7
55.01853	3.8
55.05509	30.7
57.03415	6.2
65.03954	2.9
67.05145	3.5
67.05500	68.6
69.03429	3.1
69.07063	19.8
69.57097	8.3
69.57515	10.2
71.04991	4.7
71.08632	52.6
79.05493	48.8
81.03403	9.2
81.07055	53.4
83.04984	13.3
83.08602	13.9
85.06519	6.6
91.05470	37.4
93.07043	61.5
95.04955	14.9
95.08607	39.8
97.06539	13.3
97.10155	11.3
99.08091	33.5
105.07027	24.6
107.04936	7.3
107.08590	41.1
107.77047	2.5
109.10147	27.9
117.14267	2.8
119.08566	14.1
121.10160	30.6
123.11698	3.4
125.09596	4.3
131.08575	4.7
133.10136	13.9
135.08054	3.9
135.11687	43.1
139.11122	3.4
141.09085	3.8
145.10094	4.7
147.11697	4.9
149.13284	13.0
151.11183	14.8
153.09038	2.6
159.11650	3.9
161.13275	15.6
161.14560	3.1
163.11189	6.0
163.14896	4.1
171.11673	4.4
173.13316	3.0
175.14812	3.7
177.12675	3.5
179.14308	100.0
185.13229	3.9
189.11180	4.4
195.13713	3.0
221.15327	3.4
235.16913	4.8
259.20581	7.4
277.21625	53.8
295.22501	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03948	30.5
55.01860	8.8
55.05515	37.2
57.03428	4.2
57.07075	11.0
58.22195	3.3
60.05190	2.9
65.03926	3.5
67.05507	86.5
69.03425	3.2
69.07072	51.6
69.82284	16.3
70.71608	3.0
71.05009	4.0
71.08623	4.5
79.05487	49.6
81.03420	100.0
81.07056	71.6
83.04975	24.3
83.08617	17.5
84.68781	4.1
84.72646	3.4
91.05479	31.9
93.07046	55.2
95.04970	57.8
95.08598	26.7
96.75253	3.5
97.06555	4.7
97.10188	8.2
97.24346	3.2
98.20843	4.2
99.08109	7.0
105.07040	30.6
107.08596	34.5
109.06535	15.3
109.10160	22.3
111.08067	4.3
119.08585	12.3
121.10164	12.2
123.08070	4.2
123.11690	9.3
125.09635	12.3
129.06979	4.2
131.08582	3.5
133.10106	20.5
135.08073	8.0
135.11705	8.0
137.09633	5.7
145.10168	5.0
147.11642	19.2
149.13278	8.9
151.11176	57.3
153.09134	4.6
161.13197	17.5
163.14844	7.5
165.12759	15.4
171.11641	6.6
175.11345	4.0
175.14885	5.8
177.12697	4.1
179.14272	6.9
189.12784	3.5
193.12177	3.7
207.13823	9.3
231.21107	13.2
241.19550	4.4
249.22133	4.3
259.20605	13.0
277.21628	94.8
295.22702	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03957	14.4
55.01863	9.5
55.05513	32.2
57.03434	4.1
57.07069	12.9
65.03942	3.1
67.05507	93.1
68.93709	2.4
69.03414	8.0
69.07069	35.5
69.97485	4.7
69.97890	9.3
71.04985	7.7
71.08623	10.3
79.05495	41.8
81.03426	49.4
81.07056	67.2
83.04981	15.4
83.08604	8.3
85.06530	3.4
91.05475	22.0
93.07048	52.3
95.04972	30.7
95.08617	52.7
97.06536	10.7
97.10175	8.0
99.08064	3.9
105.07030	17.1
107.08601	24.3
109.06517	6.3
109.10172	33.4
113.64865	2.7
117.07008	7.8
119.08612	20.9
121.10139	28.7
123.08065	6.1
123.11705	17.9
125.09649	6.8
131.08557	9.5
133.10143	17.8
135.11703	20.8
137.09627	25.8
137.13284	3.3
139.11171	8.1
141.08607	2.9
147.11638	17.0
149.09610	6.4
149.13229	15.3
151.11168	11.2
157.10127	3.6
158.36691	2.9
161.13339	6.7
163.11179	6.1
163.14769	7.2
165.12741	5.5
173.13231	6.2
175.14838	6.9
178.66858	2.7
185.13211	4.3
199.14919	2.8
200.68095	2.6
202.55009	2.7
203.12741	5.9
221.15332	6.1
231.21068	3.4
235.16724	4.1
241.19415	6.6
249.22223	9.6
259.20471	8.0
277.21631	100.0
278.21783	3.4
295.22632	26.9
296.22577	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	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03938	5.1
55.01871	6.4
55.05513	18.2
57.07066	6.0
67.05505	100.0
68.39650	2.3
69.03429	5.5
69.07072	21.8
69.77881	1.8
70.18198	9.3
70.62829	1.7
71.08627	13.1
75.83465	1.9
75.94051	2.1
79.05495	27.5
81.03418	16.2
81.07057	82.6
83.04985	7.9
83.08621	7.2
85.02919	3.2
85.06526	2.4
87.04460	3.2
91.05494	12.7
93.07047	27.3
93.98932	2.0
95.04963	17.8
95.08607	66.1
95.09200	4.4
97.06527	7.9
97.10156	4.8
98.20852	2.7
99.08102	6.5
105.07019	13.2
107.04939	2.5
107.08601	11.1
109.06530	3.2
109.10157	43.7
109.28061	1.8
111.08035	2.4
119.08569	11.7
121.10145	9.4
123.08113	2.8
123.11699	21.2
131.08578	2.4
133.10121	6.6
135.11668	10.3
137.09644	10.7
137.13254	7.3
139.11157	3.5
145.10214	3.4
147.11693	9.0
149.13257	7.8
151.11226	9.6
157.10052	2.4
159.53233	2.2
161.13274	6.1
165.12781	3.2
168.70929	2.2
172.57640	2.3
173.13298	2.3
175.14828	4.4
179.14326	3.8
199.14760	2.6
221.15405	2.4
231.20912	2.5
241.19562	3.0
249.22185	5.0
276.54721	2.2
277.21646	38.2
295.22693	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	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.00276	1.0
53.03935	3.3
55.01861	2.5
55.05276	1.4
55.05509	15.3
55.56738	1.1
56.82846	1.2
57.03428	2.0
57.07057	5.0
67.05499	33.1
69.03408	3.5
69.06738	1.5
69.07069	16.7
69.53155	6.3
69.53561	2.4
71.04986	5.1
71.08627	19.2
73.06550	1.2
78.73369	1.0
79.05492	20.0
81.03415	15.7
81.06596	2.0
81.07055	22.5
83.04987	9.7
83.08598	5.2
85.06516	2.4
91.05479	11.2
93.06501	1.9
93.07040	26.9
95.04972	19.7
95.08603	20.5
97.06513	5.4
97.10166	4.3
99.08086	12.0
105.07017	8.4
107.08581	13.3
109.06514	4.2
109.10159	12.2
117.07010	2.2
119.08583	7.2
121.10136	9.1
123.08057	2.4
123.11700	3.1
123.80418	1.2
125.09627	1.5
129.07019	1.1
131.08580	2.2
133.10139	7.3
135.07994	1.8
135.11699	5.0
137.09628	11.3
139.11172	5.3
145.10121	1.7
147.11650	2.6
147.97316	1.1
149.13251	3.9
151.11172	15.4
153.12793	1.5
157.10153	2.1
159.11665	1.4
161.13272	3.7
163.11179	3.1
165.12753	1.6
171.11612	1.2
179.14304	3.9
189.16324	1.2
193.15819	2.0
203.12744	2.0
221.15355	5.1
232.34003	1.3
249.22041	2.7
259.20630	2.4
262.38715	1.1
273.11957	1.3
277.21606	76.6
294.14764	1.2
295.22675	100.0
296.22891	1.1
310.78458	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	295.2267
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03952	4.3
55.05507	33.7
55.10897	3.8
57.03423	6.6
57.07074	33.9
63.52082	2.9
67.05502	56.7
69.03423	3.8
69.07064	27.3
69.41730	21.5
69.42137	6.5
71.04974	8.9
71.08613	6.6
74.72797	3.7
79.05492	29.3
81.03420	26.4
81.07058	45.9
83.04978	19.0
83.08591	11.9
84.84245	3.5
85.06510	6.3
85.09686	3.9
85.10182	72.3
91.05486	34.8
93.07020	35.0
95.04962	28.2
95.08605	40.8
97.06532	7.5
97.10160	14.6
99.08109	5.4
105.07026	20.2
107.04970	17.1
107.08566	18.5
109.06525	7.3
109.10149	15.3
113.09643	86.3
117.06953	3.4
119.08563	14.8
121.10099	9.1
123.08035	7.5
125.09591	4.9
131.08563	8.7
133.10126	11.9
133.27457	3.7
135.11691	6.5
137.09651	5.9
147.11656	9.9
147.51958	4.3
149.09583	15.9
149.13216	5.6
151.11172	14.5
161.13243	5.9
163.11182	14.0
165.12740	63.5
169.78610	3.4
175.11172	9.2
179.14293	5.8
199.52173	3.6
259.20578	4.8
259.39542	3.9
277.21655	91.3
295.22644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03948	8.4
55.01879	4.3
55.05512	27.7
57.03437	2.8
57.07066	7.4
61.25731	1.5
67.05141	3.2
67.05504	54.1
69.03418	4.0
69.07076	24.9
70.67953	2.1
70.68287	4.0
71.04981	4.0
71.08633	19.7
79.05495	25.7
81.03423	26.2
81.07053	39.1
83.04988	10.1
83.08620	9.2
85.06535	4.8
91.05474	14.9
91.87082	1.5
92.43884	1.5
93.07049	34.1
95.04964	23.9
95.08606	37.2
97.06519	8.7
97.10165	10.1
99.08107	12.7
105.07052	8.7
107.04994	2.5
107.08597	14.8
109.06544	5.1
109.10158	19.7
111.11783	1.8
119.08568	11.1
121.06509	1.8
121.10133	18.7
123.08104	3.1
123.11707	5.1
129.06995	3.2
131.08624	4.3
133.10152	10.2
135.11723	10.7
137.09601	18.3
139.11189	4.8
141.95377	1.5
143.08556	2.2
145.10077	3.3
147.11693	6.6
149.09709	2.4
149.13264	6.7
151.11194	19.3
153.12732	2.6
157.10149	2.1
159.11688	3.4
161.13283	3.5
163.11185	2.6
163.14842	2.1
165.12764	2.6
171.11751	2.5
173.13361	2.0
175.14787	1.8
177.16426	1.7
179.14307	5.0
185.13321	3.0
193.15901	2.0
203.12737	2.7
221.15421	6.8
231.20958	2.6
249.22133	5.6
259.20605	5.6
266.25818	2.8
277.21628	96.7
295.22714	100.0
295.28113	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	295.2268
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	9.0
54.77040	3.1
55.01871	23.2
55.05510	59.1
57.03438	8.5
57.07082	9.6
57.95076	3.4
59.04970	4.3
65.03912	3.5
67.05506	93.0
68.03223	3.3
69.07070	38.0
71.04990	10.3
71.08624	26.2
71.34393	6.5
79.05496	52.7
81.03418	14.9
81.07056	71.2
83.05000	20.1
83.08625	28.0
85.06538	8.4
85.10159	4.6
90.60897	2.9
91.05469	34.4
92.11375	3.1
93.07043	69.7
95.04980	28.9
95.08607	55.2
97.05995	3.3
97.06508	15.4
97.10193	19.1
99.08089	17.5
103.63065	3.1
104.18581	4.2
105.07030	29.2
107.08580	31.7
107.09118	3.0
109.06536	9.7
109.10146	31.2
111.08069	29.3
113.09683	4.3
117.07002	7.0
117.15946	3.1
119.08588	20.3
121.10141	27.1
123.08102	5.9
123.11717	7.9
125.09649	18.1
129.06972	6.5
131.08600	9.9
133.10117	22.9
135.11673	25.7
137.09619	8.8
139.11165	6.8
143.08604	4.2
145.10147	4.0
147.11705	20.0
149.09674	4.1
149.13249	18.7
151.11185	23.1
153.12743	4.7
157.10167	5.5
159.11700	7.0
160.62279	3.4
161.09628	3.4
161.13246	16.6
163.11217	4.5
165.12770	15.3
171.11784	5.2
175.14862	9.3
179.14349	10.5
185.13240	5.4
189.11240	6.9
193.12172	5.0
221.15454	5.5
231.21017	4.9
241.19505	7.2
249.22208	5.7
259.20581	12.0
277.21625	100.0
295.22690	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	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.01874	27.5
55.05513	42.6
57.03429	7.0
57.07077	53.7
59.63881	4.1
67.05509	50.6
69.07066	41.5
69.35201	24.2
69.35635	18.5
71.04980	9.1
71.08629	13.7
73.02911	16.1
79.05498	42.4
81.03409	13.2
81.07059	54.4
81.68047	4.1
83.04967	19.6
83.08611	27.0
85.02907	74.1
85.06541	4.3
91.05477	24.4
93.07041	49.9
95.04987	27.8
95.08610	56.3
97.06521	14.6
97.10145	12.6
99.08076	7.4
101.02385	36.6
101.22947	4.2
102.62663	4.1
105.07017	18.5
107.04935	10.5
107.08596	32.6
109.06477	7.3
109.10166	24.6
111.04437	6.1
111.08083	6.7
119.08583	26.0
121.10139	29.3
123.08039	12.9
123.11700	9.5
125.09618	8.7
131.08582	10.9
133.10138	29.3
134.10480	4.8
135.08070	8.0
135.11678	13.0
136.08379	6.2
137.05988	11.4
137.09630	16.3
137.12018	4.1
139.11186	24.9
145.10059	4.8
147.11711	15.0
149.09602	6.0
149.13229	7.1
151.11176	18.1
152.11522	10.4
155.08653	4.2
157.10136	9.2
161.09612	10.8
161.13268	14.8
165.05515	8.9
165.12753	14.9
171.11732	7.8
175.11139	35.1
179.10722	9.8
179.14294	10.1
181.12234	8.6
187.14682	5.4
189.16492	4.4
193.12228	18.7
193.15898	5.2
203.10660	6.6
221.11711	74.7
231.20950	7.6
239.12785	17.8
241.19521	9.3
249.22119	18.2
259.20465	15.1
277.21600	100.0
295.19016	9.5
295.22522	42.4
311.05142	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	296.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
55.05494	1.2
56.96554	1.3
57.03423	0.8
61.15197	0.8
62.04446	0.9
66.11132	0.8
67.05484	3.2
69.03410	1.9
69.07073	1.6
70.06591	1.2
70.55892	1.2
70.56213	1.6
71.04977	1.5
79.05500	7.1
80.04993	1.3
81.03410	1.6
81.07059	7.2
82.06579	0.8
83.04980	0.8
85.02880	0.8
87.04471	84.4
91.05470	4.9
93.07033	2.5
95.04952	2.4
95.08569	1.3
97.06516	1.2
98.06052	1.8
98.97613	0.8
103.05463	2.2
105.07011	2.9
106.05873	0.9
106.06548	10.3
107.04956	1.4
107.07335	1.8
107.08584	1.3
107.38400	0.8
108.08100	2.3
109.06516	22.1
109.10160	0.8
114.15688	0.8
115.05442	2.3
117.05750	1.2
117.06969	1.8
119.08580	0.9
120.08144	3.6
121.06440	1.8
122.05991	0.9
130.06476	0.8
130.08574	1.7
131.04910	1.3
131.25783	0.8
132.08078	5.3
133.03123	1.5
133.06458	1.9
134.06021	6.8
134.98354	0.8
136.07536	1.1
138.05472	2.6
141.05457	1.2
146.09692	1.2
148.07608	3.8
148.08577	0.7
149.05998	1.0
150.05501	17.5
150.06688	1.0
150.09090	1.6
151.06290	1.9
152.07104	1.5
160.07629	4.3
162.05453	1.0
164.07080	11.8
165.05478	0.9
165.07764	1.0
166.08643	45.8
168.10201	2.2
174.09174	2.2
176.07047	0.8
176.10796	1.5
178.08629	4.2
192.10187	12.9
193.08630	1.2
193.10963	1.4
194.11800	2.5
200.10823	1.0
202.08626	1.7
206.11781	2.1
210.11249	2.8
212.09213	1.0
218.11769	2.3
220.09686	8.6
222.11263	2.6
234.11200	3.8
236.09181	31.2
236.12894	1.9
237.09979	0.9
238.10765	2.6
246.11165	2.0
250.10788	5.5
251.11549	1.2
252.12317	100.0
253.12434	1.1
254.13860	2.8
255.06769	1.1
264.12311	28.7
266.13916	3.2
278.13873	10.5
296.14938	46.4
297.11224	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	296.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01872	28.3
55.05508	52.0
56.05837	5.1
56.57814	4.2
56.96547	5.8
57.07076	82.3
64.50914	4.3
67.05508	95.9
68.05837	11.8
69.07069	69.2
70.07394	7.4
71.08635	43.0
71.49612	5.3
71.50000	7.1
72.08949	10.3
79.05495	66.4
80.05825	5.7
81.03404	14.6
81.07063	100.0
82.03741	5.5
82.07386	16.0
83.04967	14.9
83.08629	62.8
84.08981	5.4
85.06547	8.2
88.34694	5.0
91.05467	31.7
92.05839	9.8
93.07049	87.5
94.07375	11.0
95.04980	11.5
95.08612	82.5
96.08916	8.8
97.06517	16.1
97.10164	20.2
99.08090	18.2
100.08437	6.3
105.07050	22.7
106.07395	8.1
107.08609	44.9
108.08948	9.5
109.06516	6.9
109.10175	44.1
110.10494	6.3
111.08066	11.7
117.06960	6.5
119.08575	20.1
120.08907	10.0
121.10136	63.0
122.10464	7.2
123.11706	11.2
126.09960	5.3
127.11215	34.8
128.11499	5.5
131.08563	6.7
133.10126	16.2
134.10475	7.2
135.08078	6.8
135.11694	52.7
136.12054	11.7
137.09639	10.2
137.13263	9.4
139.11172	5.8
141.09091	5.5
141.12720	15.2
145.10097	7.9
148.11972	5.9
149.13234	18.9
150.13567	7.2
151.11197	10.1
151.14761	9.5
152.11537	7.4
153.12743	14.6
161.13300	7.2
162.13492	9.6
163.11218	6.2
163.14833	8.6
166.24672	4.6
167.14301	11.2
169.12209	13.3
177.16364	4.9
179.14296	14.2
180.14690	20.3
198.62184	4.7
199.44421	5.0
233.22665	42.7
233.87126	5.3
243.21048	16.1
250.22319	6.4
261.22159	27.9
278.21967	49.4
278.24628	7.6
279.23193	52.5
296.22885	27.5
296.25821	20.2
296.29556	14.3
302.62576	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01875	1.6
55.05515	11.1
56.96557	2.1
57.03428	5.1
57.07073	97.6
67.05503	35.9
68.05830	1.8
69.07069	15.5
71.01347	3.6
71.04989	3.7
71.08631	94.0
71.49615	1.6
71.50032	1.3
74.74796	1.2
79.05489	16.2
81.03404	1.3
81.07055	56.9
82.31578	1.1
83.04984	3.0
83.08620	5.7
85.06549	1.5
89.06052	1.8
91.05465	3.4
93.07043	19.6
95.04951	3.7
95.08606	26.3
97.06567	3.2
97.10149	3.7
99.04462	1.5
99.08084	2.4
101.02327	1.2
102.32846	1.1
105.07046	5.7
106.63037	1.2
107.08603	5.2
109.10147	12.3
111.08131	2.5
113.06053	1.9
119.08571	4.7
121.10143	30.6
123.08065	15.1
123.11712	17.2
127.11225	3.6
131.08603	2.0
132.10933	1.2
133.10129	2.0
135.07999	2.0
135.11717	7.6
137.09607	1.2
138.09915	1.5
139.11177	12.3
141.12737	100.0
145.10127	2.8
149.09602	2.1
149.13290	1.3
156.13834	6.0
159.11649	1.8
159.13811	2.3
163.11174	1.7
169.15915	7.3
181.15843	3.7
183.13800	35.0
195.17427	3.7
233.22693	4.3
238.75456	1.2
243.21103	4.8
251.23674	8.9
261.22205	11.1
278.21906	4.3
278.24680	1.6
278.77029	1.2
279.23190	42.7
279.25745	1.5
296.22998	3.6
296.25839	12.7
296.29218	2.2
297.25732	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	297.1849
Annotation	Diethylstilbestrol dimethyl ether
Peak:m/z	Relative Intensity
50.82239	0.2
55.05496	1.5
56.96561	0.3
57.03456	0.3
57.07064	0.3
61.44304	0.3
61.45366	0.2
65.03952	0.4
67.05499	0.9
69.03434	1.6
69.07072	2.7
71.04982	0.3
71.23516	0.5
73.23435	0.2
79.05483	1.1
79.16155	0.2
81.07053	2.8
83.04951	1.1
83.08602	0.8
85.06525	0.4
91.05469	1.7
93.07040	1.1
95.08614	1.5
97.06517	0.8
97.10208	0.3
98.97558	0.6
99.08073	0.5
105.06995	1.0
107.08608	0.7
109.10126	0.4
111.08051	0.7
113.09616	0.5
115.05451	2.6
116.98615	0.8
117.07031	1.3
121.10143	4.7
123.08092	0.3
123.11695	0.6
128.06268	0.5
129.06981	1.0
131.08553	0.6
134.99573	0.3
139.11160	3.3
141.07011	0.4
142.07764	0.8
143.08537	1.2
145.06477	100.0
146.06805	1.5
147.11639	0.5
151.11151	0.4
153.07028	0.4
154.07819	0.3
155.08514	0.6
156.09401	0.3
157.06488	0.5
157.10158	1.2
159.08041	5.0
165.06935	0.4
165.12740	0.5
167.08568	0.3
169.06461	0.4
169.10060	0.6
170.07181	0.4
171.08040	4.3
171.11688	1.1
173.09647	0.6
179.75014	0.3
183.08015	1.3
184.08766	1.1
185.05899	0.3
185.09610	7.0
185.13211	0.6
195.11768	0.6
197.09630	2.2
198.10367	1.0
199.11174	11.0
200.11497	0.4
209.09598	0.6
210.10353	0.4
211.11147	0.6
212.11945	0.3
213.09355	0.7
213.12733	13.4
223.11150	1.2
224.12050	0.5
227.10651	0.7
237.12697	0.6
239.14282	3.0
241.12227	0.9
274.97476	0.6
279.17493	2.2
292.98694	0.6
297.07333	0.5
297.18475	22.9
298.18829	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	297.2212
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
53.44529	0.7
53.48271	0.7
55.05506	9.7
56.96564	2.0
57.03425	1.7
57.07080	5.7
57.07306	0.9
65.03911	0.8
67.05502	6.0
69.07063	8.3
71.08635	1.5
71.50064	1.7
79.05463	4.6
81.07051	7.8
83.04961	1.9
83.08629	6.1
85.06532	3.8
87.04527	0.9
91.05464	4.0
93.07047	6.5
95.04970	3.2
95.08601	10.2
97.06550	2.1
97.10177	1.1
98.97597	4.1
99.08090	1.4
105.07041	5.0
107.08606	2.8
109.05243	0.8
109.06553	1.5
109.10139	4.2
111.08062	0.9
113.09642	1.1
115.05418	1.2
116.98595	4.9
117.07018	1.8
119.08584	3.3
121.06487	1.8
121.10149	3.9
123.08041	1.2
123.11695	1.4
128.06223	1.5
129.06976	4.3
131.08534	5.4
133.06532	1.2
133.10121	1.6
134.92082	1.0
134.99667	3.5
135.08009	1.2
135.11635	1.3
141.06993	1.4
142.07773	5.7
143.08551	11.5
144.09283	1.3
145.06485	2.7
145.10109	11.7
149.02316	2.9
153.06966	1.4
154.07788	2.9
155.08543	11.7
156.09314	1.9
157.10121	27.3
158.01309	1.1
159.11696	11.1
165.07004	1.9
167.08583	4.1
168.09358	3.3
169.10107	15.6
170.10892	1.2
171.11685	16.8
173.13268	2.9
179.08585	3.6
180.09372	2.1
181.10097	11.0
182.10941	8.2
183.11688	16.6
185.09641	1.4
185.13251	26.2
187.14819	1.8
191.10643	1.3
193.04988	4.4
193.10181	2.1
194.10889	2.8
195.11682	23.2
196.12460	7.0
196.62567	1.7
197.13258	9.8
199.11159	1.5
199.14865	5.3
208.12469	2.5
209.13245	37.9
210.13901	1.5
210.64050	1.2
211.14801	100.0
212.15215	1.2
213.12787	1.3
213.16391	3.0
221.13318	1.4
222.14203	0.8
223.14821	22.0
223.17014	1.2
225.16382	4.4
227.18004	1.3
236.15613	1.3
237.12817	1.1
237.16425	4.3
241.15909	1.1
274.97552	5.4
279.21075	41.7
280.38544	1.0
292.98529	5.8
297.11432	1.6
297.15103	1.7
297.18527	2.9
297.22208	47.1
297.25763	8.3
297.73029	1.3
297.99338	1.1
298.22586	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	297.2423
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
55.01867	9.7
55.05511	37.4
56.96553	2.5
57.03429	7.2
57.07065	6.7
67.05139	3.4
67.05505	60.5
69.03400	3.2
69.07070	78.8
70.83965	6.1
71.05002	11.7
71.08640	3.9
73.06559	4.2
79.05492	41.7
81.07055	99.7
83.04986	15.2
83.08617	9.3
85.06545	7.4
91.05466	11.0
93.07043	58.0
95.04974	4.5
95.08610	86.6
97.06527	25.2
97.10162	17.9
98.97598	7.5
99.08051	2.5
105.07023	5.6
107.08588	21.2
109.10149	36.2
111.11705	7.5
116.98600	7.0
119.08594	5.1
121.10141	54.9
123.08041	2.4
123.11695	20.3
127.15918	2.3
131.08568	7.3
131.35532	1.9
133.10103	11.3
135.11708	16.8
137.13260	8.2
139.11188	28.2
145.06490	5.1
145.10117	4.0
145.59280	2.3
147.11676	3.7
149.09621	5.0
149.13287	6.2
151.11176	3.2
159.11717	3.8
161.13293	7.4
163.14781	3.1
167.14323	3.1
173.13263	5.3
179.14302	3.8
183.13727	2.8
187.13290	5.5
187.14700	4.0
203.12784	8.8
211.14873	4.0
216.80867	2.3
223.16867	2.6
243.21068	9.7
254.62042	2.4
261.22174	38.6
274.97507	8.1
279.23193	100.0
280.23535	3.3
292.98611	5.1
297.24225	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	297.2423
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
51.44102	1.7
55.05508	11.3
57.07065	6.7
63.07597	1.5
67.05505	33.4
69.06808	1.3
69.07077	14.4
69.82051	8.0
71.05003	2.3
71.08630	100.0
71.47049	1.8
79.05484	14.3
81.07057	46.4
81.07533	2.5
83.05005	1.6
83.08623	11.5
85.06527	1.7
91.05463	13.8
93.07047	16.0
95.04964	2.4
95.08601	27.9
97.06548	3.1
97.10165	4.7
98.97578	3.5
99.08090	82.1
105.07037	15.8
107.08602	12.1
109.06540	2.8
109.10172	14.8
111.08071	3.4
111.28721	1.5
116.98602	2.9
117.07037	1.7
119.08590	8.9
121.10139	11.9
123.11694	7.5
125.09636	2.2
127.11203	6.9
131.08548	5.9
133.10161	3.5
134.99658	1.5
135.11676	9.8
137.13254	3.9
137.14197	1.7
145.10106	6.2
147.11690	42.5
149.09578	3.4
149.13277	4.4
151.11223	1.9
153.12738	8.3
159.11678	4.2
161.13235	3.7
163.11142	8.6
163.14798	13.9
165.12743	19.6
167.14357	4.3
169.12257	5.4
169.75842	1.6
173.13232	5.4
177.16411	1.8
181.15862	8.2
187.14806	3.0
233.22580	2.1
243.21094	12.8
261.22122	15.2
274.97653	3.4
279.23184	54.9
280.23450	1.9
292.98602	4.3
293.91718	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	297.2424
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.01875	11.6
55.05510	76.0
57.03444	6.5
57.07077	8.2
63.04514	3.4
67.05505	100.0
68.05808	3.4
69.03432	8.9
69.07068	69.9
70.63534	9.6
71.04993	7.8
71.08623	11.6
79.05488	46.1
81.07059	97.1
81.07545	5.2
82.20865	3.3
83.04988	10.2
83.08618	51.6
85.06550	9.8
91.05484	11.8
93.07047	40.6
95.04951	6.4
95.08607	78.4
97.06517	11.3
97.10168	52.2
98.97610	4.4
99.08072	3.6
105.07046	10.3
107.08595	42.7
109.10155	53.1
111.08093	5.1
111.11733	4.6
116.98653	4.0
117.07024	5.4
119.08602	7.7
121.00400	3.5
121.10138	15.2
123.08039	4.2
123.11709	18.9
125.09643	34.4
127.96046	3.6
131.08557	10.6
133.10138	7.3
135.08041	6.8
135.11696	33.7
137.09668	4.7
137.13269	10.3
141.12714	3.3
145.10104	11.2
147.11641	9.4
149.09593	3.7
149.13271	11.8
151.11163	4.5
151.14804	5.2
153.09105	4.4
153.12737	12.9
159.11708	7.0
161.13239	6.9
163.14795	5.6
165.12814	4.0
169.15886	3.9
171.10057	3.2
173.11807	7.1
173.13272	14.4
181.12202	3.4
183.13777	27.6
187.14749	6.6
189.11256	23.6
195.13924	4.9
201.16397	5.5
209.15291	6.1
223.16737	3.6
233.22603	5.0
243.21082	12.3
261.22076	35.5
274.97485	4.0
279.23172	89.3
297.24442	10.7
319.50433	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	297.9911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90294	0.7
56.96310	1.1
56.96566	16.2
67.48713	1.1
69.87377	4.7
71.95248	2.6
73.48464	0.8
74.83379	0.9
75.42722	0.8
79.15517	0.9
84.74685	0.8
85.08978	0.7
89.44099	0.7
98.97583	98.1
116.98621	82.0
127.68111	0.9
130.93303	1.2
134.99661	42.2
140.00107	1.1
150.22098	0.9
153.00699	6.8
155.99725	0.9
172.94330	3.1
177.00853	1.4
190.95381	7.2
192.98650	0.9
208.96394	4.9
214.95341	1.6
219.02010	3.5
221.01854	1.1
232.96457	8.4
234.99750	3.3
250.97504	6.9
256.96393	10.7
256.98508	1.0
261.03049	3.6
274.97491	100.0
275.04175	2.6
275.97641	1.4
276.97781	0.9
292.98532	99.3
310.99570	1.2
315.99997	1.2
316.98944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01852	0.4
58.99587	8.7
61.09670	0.3
67.05502	1.3
68.05035	0.9
68.35282	0.3
69.03416	1.3
69.05827	0.3
70.06586	0.8
70.64737	0.8
70.65100	0.5
71.01337	0.5
71.04974	0.4
71.07684	0.3
75.02725	0.6
76.02212	0.5
78.03459	0.4
79.05488	2.4
80.05016	1.2
81.03416	0.6
81.07034	0.5
82.49024	0.3
85.01128	7.1
85.01612	0.6
86.00655	50.0
86.99056	4.1
88.02213	1.3
91.05489	1.0
93.07065	0.6
95.04967	12.0
95.08606	0.4
96.04494	8.2
97.02892	7.0
97.06527	0.5
100.02206	2.7
102.03771	5.4
103.05468	0.7
105.00078	2.1
105.06997	0.5
106.06552	4.0
107.04965	2.9
108.04471	1.0
109.02885	0.8
109.06483	0.4
111.02687	0.3
112.02221	0.6
120.04491	0.8
121.06535	1.6
122.02411	0.6
122.06009	0.6
123.04455	3.3
124.03955	100.0
125.06002	0.9
126.03773	0.4
126.05513	1.5
130.06538	0.5
131.01639	0.7
131.04938	0.5
132.01155	13.2
134.05978	0.4
135.02675	0.5
135.04417	5.6
136.06206	0.6
137.04208	0.6
138.03741	0.5
140.03426	5.4
147.04388	0.6
147.17253	0.3
147.19341	0.3
148.07596	1.4
149.05977	0.9
150.05502	1.6
151.03911	11.4
152.01619	0.3
153.03680	0.4
153.05452	1.7
154.03204	2.9
154.06895	0.5
164.01683	2.0
164.05267	1.9
165.86340	0.3
166.03271	1.0
176.07080	1.0
178.06860	0.4
181.03117	2.2
182.02710	41.8
182.06152	0.9
183.03281	0.3
184.04283	4.8
192.06538	0.4
197.63449	0.4
198.02190	0.5
200.03780	0.6
206.06364	1.2
208.04311	1.9
208.08133	0.3
210.02202	1.1
210.05858	3.4
212.03787	0.4
216.04793	0.6
217.94833	0.3
224.07411	6.2
228.03250	47.9
230.04825	1.4
234.05838	4.0
252.06895	79.4
253.07239	1.1
254.17603	1.7
280.06384	3.2
280.10873	0.5
298.07443	48.8
298.20111	1.3
299.07748	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	298.0968
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.01878	0.2
56.96547	0.2
57.03417	0.3
61.00859	0.3
61.01149	4.2
69.03407	0.5
69.84691	0.9
70.06580	0.4
70.66417	0.1
71.55868	0.1
72.08163	0.1
75.02701	2.3
84.08125	0.2
85.02901	0.6
86.09683	0.4
91.05480	0.2
92.37812	0.1
94.04078	0.3
94.06546	0.4
95.04970	0.3
97.02896	1.6
98.20795	0.2
98.97599	0.1
100.07611	0.2
103.02166	0.2
104.04980	0.2
106.06557	0.3
109.02884	0.2
113.75080	0.1
118.06547	0.4
119.03539	0.7
120.04473	1.2
121.06490	0.2
123.04456	0.2
132.08110	0.4
136.06181	100.0
137.04559	0.6
137.06627	1.0
139.03909	0.6
145.03192	1.4
146.05974	1.4
147.05531	0.6
151.03822	0.2
152.10672	0.9
160.07561	1.0
163.04277	1.1
172.07576	0.3
189.32994	0.2
202.08687	0.2
214.08740	0.3
221.90581	0.2
226.08723	0.2
267.11606	0.2
280.11832	0.4
298.09705	3.1
298.12814	1.0
298.15317	0.9
317.21173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.1
55.05502	9.0
55.96268	2.7
56.64354	2.3
56.96561	8.7
57.03425	5.0
57.45746	2.2
57.69615	2.3
59.05001	85.6
61.01146	4.2
61.02926	4.5
61.51039	3.0
62.35759	2.5
66.42414	2.6
67.05492	4.4
68.66771	2.9
69.03432	12.9
69.07054	5.2
69.42959	21.1
70.06576	8.5
71.04993	2.9
72.08144	4.3
73.02908	7.5
73.06570	3.7
79.05505	3.9
81.03400	7.3
83.05003	4.3
84.08152	4.6
85.02902	33.7
85.06540	6.0
85.90016	2.3
86.03265	2.9
86.09715	4.0
87.04460	9.9
91.03901	2.6
91.05469	6.2
94.30136	2.5
94.78078	2.2
95.04948	4.9
97.02884	17.6
98.06091	2.9
98.20811	5.2
98.97569	12.8
99.04454	3.3
101.06017	100.0
103.15700	2.9
106.06561	3.6
108.08120	4.2
109.02892	5.8
110.07167	3.7
113.35330	2.6
113.71154	2.6
116.98624	7.1
118.06472	3.2
119.01889	2.9
119.03510	3.3
119.07044	41.2
120.04461	47.5
120.08096	6.9
127.03894	7.2
128.98566	3.8
134.06004	7.8
134.99641	5.0
136.06192	89.2
136.07536	11.1
136.09709	8.2
137.07115	15.3
142.75266	2.4
145.04968	7.4
146.99683	3.8
148.03941	3.8
148.05034	2.7
148.08710	3.5
152.05684	17.7
152.06888	3.6
153.04060	3.1
161.04784	3.7
166.07249	45.1
175.04390	3.4
177.00685	4.3
180.08769	3.3
193.10788	6.3
198.05472	4.9
206.08153	3.5
217.05482	3.3
219.01738	3.5
234.07710	4.7
237.02740	5.0
238.10698	10.2
239.11298	13.5
250.48001	3.2
266.10275	4.9
279.73007	2.9
280.11795	3.1
298.09802	4.8
298.12808	11.7
298.17957	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	298.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.5
56.05040	5.4
56.96567	10.1
57.07055	4.3
57.27715	1.1
57.32928	1.2
58.02952	2.2
60.04512	2.2
64.11613	1.1
64.72148	1.0
67.05505	23.4
68.05020	2.6
69.07069	15.6
69.63367	7.1
71.08617	3.8
71.95242	1.4
74.06053	1.9
76.25017	1.0
79.05489	14.0
80.04995	1.9
81.03422	2.5
81.07054	19.4
82.06586	9.4
83.04951	1.3
83.08620	8.2
85.10170	1.9
86.06056	2.0
91.05480	12.4
93.07040	9.5
94.06562	2.2
95.04975	3.3
95.08604	20.9
96.08125	1.4
97.06522	2.1
97.10163	3.6
98.06077	2.1
98.96958	1.8
98.97576	27.3
100.07619	2.5
105.07010	7.3
107.08588	4.7
108.08066	1.4
109.10170	7.5
112.07553	1.5
116.98615	32.1
119.08559	6.0
121.10116	5.2
122.09674	1.2
123.07950	1.2
123.11719	2.2
129.83948	1.1
133.06488	1.5
133.10129	3.8
134.99654	36.4
135.08060	2.3
135.11713	2.5
135.45204	1.2
136.06213	2.4
137.13277	1.1
143.08546	2.4
145.10107	1.3
147.08044	3.8
147.11708	1.9
153.00713	8.0
158.01245	3.5
161.09622	4.8
163.25885	1.1
176.02408	1.3
185.09644	1.2
190.95345	2.9
199.11015	1.6
201.12752	2.2
204.04431	1.2
208.96510	2.1
214.95467	1.3
232.78055	1.3
232.96436	3.7
250.25352	9.0
250.97527	2.7
256.96497	5.0
262.25299	3.5
271.16794	1.5
274.94452	2.3
274.97485	36.3
275.98004	1.4
280.26331	100.0
281.26642	2.5
292.98553	38.7
293.98798	1.6
297.99185	6.1
298.30881	1.8
299.20047	20.9
316.00031	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	299.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35248	0.5
50.52682	0.5
54.19825	0.5
55.01866	0.5
55.05499	1.7
55.21346	0.5
56.96565	20.9
57.07064	0.6
67.05504	2.0
69.07056	1.7
69.38883	2.6
69.39309	2.0
71.01352	0.5
71.04969	1.0
71.08643	0.7
71.95241	1.2
72.96014	0.6
74.97585	0.5
77.86192	0.5
79.05489	1.2
81.07056	3.1
83.04986	0.7
83.08620	1.0
84.96027	1.0
91.05478	1.8
93.07037	1.4
95.04972	0.9
95.08588	1.8
97.06527	1.6
98.97594	0.9
105.07037	2.7
107.08578	1.5
109.06505	0.7
109.10139	1.6
111.08007	0.6
116.98612	1.0
117.07047	0.6
119.08549	1.8
121.10168	0.7
123.11669	0.7
129.07002	0.9
131.08551	1.1
133.01723	0.5
133.10118	1.4
137.02750	1.2
139.00580	1.3
141.02238	1.0
143.00179	0.5
143.08572	0.6
145.06483	1.2
145.10104	1.1
147.08076	0.9
151.00557	0.6
153.02203	0.8
153.17685	0.6
155.03822	1.5
157.01756	3.8
157.10158	1.0
159.03281	1.2
159.11731	0.6
161.09694	0.7
167.03862	0.7
169.01701	1.4
169.10204	0.8
171.03308	2.5
173.09637	0.6
175.02771	1.2
185.04855	5.6
187.02800	1.6
189.04333	1.9
193.05341	1.0
195.06982	0.7
197.04828	0.9
197.13234	0.7
199.06281	1.4
201.04320	0.9
203.05878	11.5
211.06415	2.0
213.05692	0.5
213.07878	0.9
214.08470	0.7
215.05858	0.8
215.14383	1.6
217.07423	1.3
219.07053	0.8
221.05057	0.7
221.06697	2.7
223.06450	1.9
226.07635	0.6
229.07478	2.4
231.06970	2.3
231.09001	0.6
235.06436	0.7
237.07993	1.6
239.09583	1.0
241.07471	1.6
249.07974	6.0
255.08952	2.5
257.08066	0.9
257.10593	0.7
267.09036	67.5
268.09451	1.2
281.18906	0.9
282.16824	0.6
285.10089	100.0
286.10529	1.8
290.10629	4.0
299.08673	0.7
299.11847	9.2
299.15268	0.7
299.16895	0.8
299.19934	4.1
303.11176	3.2
308.11710	4.6
317.08902	0.7
317.12695	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	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01871	16.3
55.05513	64.8
56.96522	2.6
57.03174	3.0
57.03439	53.3
57.07054	7.8
57.19489	2.1
59.04993	4.5
60.44497	2.4
64.12524	2.1
65.03909	3.1
65.38177	2.2
67.05146	5.0
67.05505	100.0
69.03423	7.1
69.07069	19.3
69.48404	18.5
71.00981	4.0
71.01353	48.3
71.04977	8.4
71.08636	3.6
73.02905	4.8
79.05492	64.4
81.03413	6.7
81.06613	5.0
81.07060	69.1
83.04994	15.7
83.08624	27.6
85.02906	3.0
85.06510	4.3
91.05482	47.2
93.07048	43.6
95.04968	17.3
95.08606	28.8
97.06504	9.2
97.09646	3.0
97.10178	25.9
98.21554	3.2
99.00840	5.0
99.04449	2.8
105.07043	30.5
107.04925	4.8
107.08589	36.5
109.02877	2.9
109.06491	9.2
109.10157	50.4
111.08054	5.3
117.07050	11.7
119.08568	20.8
121.10128	7.6
123.08096	5.6
123.11688	5.3
125.09632	15.5
127.11211	4.9
127.36727	2.4
128.06255	4.2
131.08572	5.6
133.10118	21.4
133.20088	3.1
135.08041	12.6
135.11697	3.9
137.05989	3.3
137.09592	4.5
139.11177	4.7
143.08574	3.6
147.11699	4.9
149.09613	4.7
149.13194	2.5
151.11154	9.2
153.09128	10.1
159.11667	2.5
161.09581	6.7
161.13205	3.7
171.10234	5.5
179.10678	5.1
197.11739	7.1
201.12489	2.4
225.11209	47.8
243.12274	11.6
299.14886	92.5
299.20172	8.6
299.23520	3.1
299.27228	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	12.2
53.03950	4.7
53.11195	3.2
55.01870	11.6
55.05511	63.1
57.03438	43.6
57.07099	4.2
59.04989	7.3
60.22983	3.6
66.24911	4.0
67.05505	39.1
69.03434	8.7
69.07060	9.7
69.18658	38.9
71.01362	8.5
74.80560	3.3
76.11707	3.6
79.05502	26.6
81.03404	11.0
81.07058	54.0
83.05002	5.6
83.08624	35.4
89.30056	3.7
91.05491	57.9
93.07040	32.5
95.04967	13.3
95.08620	18.0
97.02903	12.5
97.06516	8.9
97.10162	6.3
99.00822	64.0
103.05472	6.5
105.07034	50.4
107.04955	15.6
107.08608	20.3
109.02880	22.1
109.06496	8.6
109.10147	17.0
111.04440	5.8
111.08061	16.3
115.03959	7.1
117.07030	8.9
119.08582	26.4
121.06494	17.7
123.04406	4.9
123.11738	10.2
127.03936	9.4
128.06291	4.0
131.08580	8.2
133.10130	100.0
135.11618	4.0
139.07523	10.1
143.08534	11.6
145.06439	4.4
151.11171	35.4
152.59177	3.8
161.09633	54.5
171.08107	9.3
179.10667	40.0
189.09061	39.2
197.11739	13.7
207.10133	18.5
225.11154	53.9
238.55821	3.4
243.12369	11.3
259.38599	3.5
299.11777	7.1
299.14899	86.6
299.27173	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	299.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	10.7
53.03950	5.7
53.95766	4.5
54.00156	4.7
55.01859	14.2
55.05507	66.2
57.03194	6.0
57.03439	56.8
57.07069	15.3
67.05498	77.2
69.03426	10.2
69.07072	28.6
69.57826	37.7
71.01341	15.1
71.08634	5.9
72.92647	4.6
79.05490	44.2
81.03403	11.1
81.07055	79.3
83.04979	15.1
83.08630	50.7
91.05479	70.4
93.07042	42.3
95.04961	12.4
95.08598	35.2
97.02877	8.9
97.06528	12.9
97.10162	18.7
99.00815	44.3
99.08067	5.1
103.19749	6.4
105.07026	68.6
107.04950	13.4
107.08593	39.3
109.02867	18.7
109.06512	9.0
109.10164	49.2
111.04471	5.2
111.08094	6.9
115.03977	5.6
117.06995	17.8
119.08575	38.1
121.06492	15.5
121.10158	9.8
123.11698	13.5
125.09615	7.2
131.08549	9.3
133.10132	85.9
135.08047	19.7
135.11705	7.4
137.09578	7.6
139.07509	7.4
143.08496	9.3
145.10147	8.7
147.08145	5.9
147.11717	9.6
149.13284	5.2
151.11174	44.5
159.11639	6.8
161.09645	44.9
161.13258	11.0
169.12262	5.5
171.08051	11.5
179.10715	31.3
189.09145	25.9
197.11703	13.2
207.10080	12.8
225.11165	47.7
231.78734	6.0
231.81073	5.5
243.12125	8.9
299.14844	100.0
299.20215	12.7
299.23538	10.8
299.27258	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	12.2
53.03938	6.9
55.01867	13.3
55.05514	58.4
56.96554	4.1
57.03433	41.9
57.07073	7.0
59.05006	10.1
62.57433	1.6
63.18088	1.6
65.03942	2.7
67.05145	2.5
67.05505	40.5
69.03431	10.9
69.07069	13.5
70.06600	2.4
71.01359	7.0
71.04990	8.8
71.49525	2.4
73.02914	5.0
77.35670	2.1
79.05046	1.3
79.05492	32.3
81.03419	20.4
81.07056	64.2
81.79865	2.3
83.04980	13.3
83.08617	39.9
83.09078	3.3
85.02901	4.2
85.06543	7.6
85.10274	1.7
86.09708	2.5
91.05482	67.7
92.05804	2.3
93.07050	52.1
94.07301	1.9
95.04980	23.3
95.08617	23.4
97.02895	16.6
97.06535	15.6
97.10174	6.5
99.00816	64.5
99.04428	3.3
99.08111	2.9
103.05479	3.6
105.03378	2.3
105.07033	54.7
105.07706	3.4
107.04958	15.6
107.08591	23.3
109.02877	33.4
109.06506	11.1
109.10165	18.7
109.17046	1.7
111.04498	6.6
111.08070	15.6
111.11675	2.0
113.05995	3.5
115.03925	7.6
115.05477	7.0
116.98644	3.3
117.07011	11.8
119.04948	4.5
119.08577	32.8
119.09373	2.4
121.06512	22.8
121.10175	6.7
123.04428	32.8
123.08068	6.5
123.11728	9.7
127.03928	13.5
128.06268	6.7
129.07050	4.4
131.08582	8.2
133.06528	6.3
133.10132	100.0
134.10519	2.3
135.04500	2.2
135.08057	4.6
135.11748	5.5
137.05960	17.8
137.09647	6.9
139.03932	2.4
139.07542	10.6
143.04936	5.6
143.08553	15.1
145.06494	15.0
145.10112	5.3
147.04362	4.0
147.08049	6.4
147.11723	4.3
149.09653	4.7
151.07567	2.8
151.11194	30.6
153.06996	2.6
157.10167	4.7
159.08098	4.1
159.11649	2.6
161.01297	2.0
161.06033	6.0
161.09618	65.2
163.11212	3.4
165.09114	4.7
169.10136	3.4
169.12317	2.3
171.08060	15.1
171.11824	3.3
173.09676	3.0
175.07521	2.1
175.11136	2.3
176.03299	3.3
176.04692	24.4
179.10686	38.5
182.15495	3.5
183.08162	2.4
183.11673	2.5
185.09604	3.7
189.05527	2.6
189.09116	40.4
190.09341	2.1
193.12328	2.9
197.10054	3.2
197.11769	15.7
197.13333	2.9
199.11278	2.0
199.14908	2.5
207.10187	16.1
211.07449	2.0
215.14386	1.9
225.09132	1.6
225.11194	47.4
229.08699	2.4
243.12372	4.3
267.09946	2.2
267.15994	4.1
271.10223	2.0
281.13864	4.1
299.05850	2.6
299.09344	32.4
299.14984	91.1
299.19965	12.5
299.23441	3.4
300.09906	3.0
300.15427	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	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01867	6.5
55.05511	14.4
57.03444	19.9
57.07074	4.7
59.04993	9.4
67.05506	44.7
69.03423	8.2
69.07072	21.4
71.04991	28.6
71.49209	3.3
76.10596	2.4
79.05499	39.9
81.03418	26.8
81.06602	3.9
81.07057	54.2
83.04982	13.5
83.08626	11.6
85.02919	3.4
85.06557	13.6
91.05489	39.8
93.07044	36.3
94.65457	1.9
95.04972	17.6
95.08615	31.8
97.06542	17.0
97.10186	2.6
98.97606	2.2
99.08128	3.7
103.03931	4.4
105.07037	35.6
107.04955	3.6
107.08591	19.3
109.02883	2.5
109.06532	7.1
109.10152	7.3
111.04486	2.7
111.08105	6.2
116.98572	2.4
117.07038	4.3
119.08582	21.7
121.06498	3.3
121.10132	27.2
123.08080	4.4
123.11713	6.1
128.06244	2.0
129.05461	2.5
129.07022	8.8
131.08589	13.0
133.10121	19.6
135.08029	2.6
135.11710	3.0
137.09618	3.6
137.13243	5.1
139.03912	2.1
142.07774	2.3
143.08495	3.9
145.06487	3.3
145.10114	6.8
147.08139	3.7
147.11668	22.3
149.09596	15.0
151.11156	2.8
157.10155	17.1
159.08066	2.2
159.11671	3.6
161.09657	7.6
163.11200	4.1
165.12782	2.2
169.10130	4.1
171.08147	2.7
171.11662	3.1
173.09554	2.8
174.86298	1.9
175.07538	4.3
175.11215	12.8
177.05362	2.2
179.08498	2.6
181.06384	3.0
181.12279	2.6
183.11638	2.4
193.12227	15.2
195.11734	2.9
197.09621	2.6
197.15430	5.3
199.14742	3.6
203.03488	2.9
206.14746	2.0
211.07523	2.5
211.11357	2.4
213.12766	2.9
225.14948	6.1
241.14215	14.2
253.12332	2.2
255.10350	2.9
255.15968	4.0
257.08200	3.5
267.15924	100.0
268.16202	3.2
281.53214	2.5
285.07495	4.3
299.05746	3.7
299.09189	8.1
299.12747	12.0
299.18729	24.0
300.09796	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	299.2005
Annotation	CHEBI:68869
Peak:m/z	Relative Intensity
55.01856	0.6
55.05515	2.5
56.52232	0.6
56.96574	0.8
57.03423	0.6
67.05514	3.9
68.80838	0.5
69.03413	0.6
69.07070	2.0
69.16822	6.1
79.05489	2.8
81.03434	1.1
81.07059	3.9
83.08615	1.2
85.06541	0.8
91.05486	2.5
93.07050	5.0
95.04974	1.5
95.08611	6.3
97.06564	1.0
97.10136	0.9
98.97573	1.3
105.07034	6.5
107.08578	2.5
109.06531	0.9
109.10164	3.2
115.05450	2.4
116.98612	1.4
117.07034	3.1
117.99050	0.5
119.08594	6.6
119.33118	0.6
121.10139	4.8
123.08061	0.8
123.11765	0.8
125.09635	0.7
128.06204	1.1
129.06987	2.5
130.07787	4.8
131.08568	7.4
133.10153	3.5
134.99657	1.6
135.08125	0.6
135.99991	0.8
139.11179	0.6
141.06975	1.1
142.07768	1.1
143.08554	3.2
144.09309	0.8
145.10127	91.5
146.10478	0.7
147.08081	0.7
147.11674	4.4
149.09584	0.6
151.11153	0.7
155.08577	1.7
157.10156	2.8
159.08098	0.8
159.11720	2.6
161.09613	1.1
167.08638	0.7
169.10132	5.5
171.11697	3.9
183.11633	2.5
185.13242	1.6
187.11212	0.6
193.12286	1.2
195.11755	0.8
197.13292	7.8
203.08788	0.6
205.12425	0.5
211.11238	0.6
211.14844	2.3
223.14824	1.0
238.17152	0.6
239.14365	0.5
241.15759	0.6
253.19365	2.5
281.19025	0.7
284.17712	3.4
293.98935	0.9
299.20062	100.0
300.20496	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	299.2008
Annotation	2,6-Dimethylhexestrol
Peak:m/z	Relative Intensity
51.30654	0.4
55.05522	2.0
56.96560	0.8
57.03422	0.6
57.07064	1.1
59.77254	0.4
67.05497	2.7
69.03409	0.5
69.07067	2.2
69.52201	2.7
71.05004	0.7
71.08632	0.6
79.05474	2.3
81.06660	0.5
81.07056	5.0
83.04956	0.6
83.08609	1.1
85.04740	0.4
91.05473	2.1
93.07037	1.8
95.04974	0.8
95.08613	2.2
97.10174	0.8
98.97575	1.5
99.08113	0.8
105.07015	3.2
107.08581	1.6
109.06536	0.5
109.10165	2.2
116.98627	1.4
117.07050	0.7
119.04971	1.1
119.08591	2.6
121.06503	0.8
121.10133	1.5
123.11692	0.8
128.06223	1.5
129.07018	4.1
131.08563	1.0
133.06500	1.5
133.10121	2.1
134.99658	1.5
135.08060	9.6
135.99950	0.7
142.07834	0.6
143.08563	3.3
145.06494	1.3
145.10135	1.3
147.08051	24.0
151.11250	0.5
157.10129	0.8
159.08051	1.9
161.09621	35.6
171.08060	0.5
172.08813	1.5
173.09634	2.2
175.11192	0.5
182.10905	0.7
183.11613	0.6
185.09645	2.9
187.11206	1.3
199.11237	1.7
200.11961	6.5
201.12756	12.0
211.11063	0.5
215.14323	0.8
241.15912	1.4
252.96230	0.7
271.16962	1.2
275.97870	1.5
281.18930	0.7
281.26599	3.3
284.17709	1.1
293.98825	1.1
298.78134	0.5
299.20059	100.0
300.20468	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	299.2006
Annotation	3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol
Peak:m/z	Relative Intensity
55.05511	9.3
55.55187	1.4
55.64627	1.5
56.96555	5.9
57.03426	2.6
57.07066	6.3
59.04980	1.7
67.05505	11.1
69.07068	12.5
69.79381	2.8
69.79794	6.9
71.07835	1.3
71.08623	3.2
72.91001	1.4
79.05499	9.3
81.03421	1.8
81.07047	14.6
83.08605	5.9
89.47810	1.3
91.05471	8.2
91.23946	1.4
93.07045	11.4
95.04949	3.8
95.08609	20.9
97.06525	4.1
97.10159	4.0
98.97573	2.5
99.08152	1.6
105.07040	8.4
107.04935	4.0
107.08586	7.9
109.10177	13.6
111.08081	5.2
115.05452	2.0
116.98570	3.5
117.07027	2.8
119.08583	8.0
120.82091	1.5
121.06488	2.1
121.10130	5.4
123.11666	1.9
125.09628	2.5
127.60766	1.6
128.54129	1.5
129.06979	2.4
131.08562	4.0
133.06496	21.3
133.10118	5.4
134.99638	4.5
135.08049	3.0
135.11737	3.6
137.09579	3.2
141.06995	3.2
143.06018	1.9
143.08543	3.4
144.05678	1.8
145.06496	8.7
145.10107	6.2
147.08078	10.6
147.11736	2.7
149.05978	1.5
149.09633	36.5
149.13167	2.0
151.11148	2.5
153.06996	3.4
155.07443	1.5
155.08542	10.4
157.06470	5.3
158.07269	2.8
159.08018	11.5
159.11691	5.5
161.09625	4.2
161.13252	1.8
163.11179	4.8
165.06992	6.3
167.08566	6.1
169.06468	3.8
169.10117	5.2
170.07216	3.0
171.08038	9.1
171.11504	2.0
172.08861	2.1
173.09637	19.7
175.11208	22.7
175.14854	1.4
177.12791	9.3
178.07695	1.8
179.08562	5.4
181.06512	2.3
181.10123	2.6
182.07294	2.3
182.10876	2.4
183.08060	29.6
183.11697	4.3
184.08778	3.7
185.09622	5.7
187.07587	2.7
187.11157	14.3
189.12680	9.1
193.10118	4.2
195.08063	5.2
196.08824	4.1
197.09624	27.3
197.13219	5.8
199.11195	9.8
201.09073	3.0
201.12752	5.6
203.14301	1.7
203.17989	1.9
207.11694	2.0
208.08963	1.4
209.09715	3.5
210.10367	5.1
211.11201	18.0
211.14803	5.0
213.12779	7.3
215.14377	3.7
221.13235	2.9
223.11143	6.1
223.14844	3.4
224.11952	4.5
225.12761	15.4
226.13492	3.1
229.12285	1.8
229.15852	3.8
237.12929	1.8
238.13478	3.9
239.14310	60.1
241.15837	5.7
252.15076	1.8
252.96330	1.5
253.15868	4.9
253.19550	14.2
257.15292	5.9
267.09085	4.4
275.97949	2.4
281.18997	100.0
282.19415	2.1
282.28043	7.7
285.10153	7.9
293.98904	2.7
299.20071	40.6
299.25775	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	299.2004
Annotation	 (-)-Sonderianol
Peak:m/z	Relative Intensity
53.03941	0.6
55.01861	0.7
55.05515	2.5
57.03429	0.7
57.07064	2.0
57.48793	0.5
64.55183	0.5
67.05506	1.9
69.03413	1.3
69.07057	3.6
71.08625	1.2
71.20230	0.6
71.20544	0.6
71.95663	0.6
79.05499	3.4
81.07056	13.3
81.32902	0.5
83.04983	2.1
83.08614	0.7
85.65907	0.5
91.05476	6.1
93.07031	1.9
95.08607	2.8
97.06542	0.5
99.08098	5.0
99.97871	0.5
105.07030	3.7
107.04939	0.9
107.08620	1.1
109.10209	1.1
116.98604	0.6
117.07017	1.2
119.04942	4.9
119.08570	2.3
121.06490	0.8
121.10135	5.4
123.08095	0.6
123.11703	0.7
128.06219	1.9
129.07005	3.8
131.05013	0.6
131.08549	1.6
133.06490	2.2
133.10138	1.4
135.08055	6.6
137.05928	2.5
139.11179	3.6
143.08562	4.0
145.06540	3.4
145.10107	1.5
146.07289	0.9
147.08046	91.4
148.08420	0.6
151.11154	0.6
155.08569	1.0
158.07314	2.1
159.08055	7.9
161.09619	35.2
163.33461	0.6
167.08563	0.6
168.09094	0.6
169.07703	0.6
171.08054	2.3
171.11679	1.2
172.08853	2.8
173.09641	6.7
175.11229	1.0
182.10907	0.8
183.11737	0.8
184.08847	1.7
185.09615	5.1
186.10432	0.9
187.11189	8.2
187.14874	0.6
188.11807	0.7
189.12758	0.6
197.09679	1.1
199.11198	9.5
200.11949	7.7
201.12749	44.6
202.13075	0.8
211.11249	1.2
213.12741	1.4
215.14310	4.1
225.12775	2.1
229.12238	1.0
239.14305	0.8
241.15886	5.7
243.13785	1.3
271.16946	0.6
281.18973	3.5
284.17639	1.3
299.20056	100.0
300.20380	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	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03934	1.9
55.01873	2.3
55.05513	8.8
56.96563	2.8
57.03426	1.5
57.07069	4.5
58.88751	1.1
60.68119	1.2
65.03929	1.6
67.05508	12.4
69.03442	6.7
69.07056	5.4
71.04978	3.5
71.08611	1.2
71.49461	1.7
71.49849	1.4
79.05499	8.4
81.03384	1.7
81.07061	12.4
83.04980	4.6
83.08621	7.7
85.06534	1.4
91.05482	16.5
93.07048	12.9
95.04396	2.1
95.04970	35.5
95.08610	13.2
97.06556	3.0
97.10179	1.8
99.00843	1.3
105.07035	22.2
107.04914	1.4
107.08595	18.6
109.06527	14.7
109.10162	11.8
111.04454	1.3
111.08068	2.9
113.09655	2.9
115.05498	2.8
116.98607	2.8
117.06999	8.2
119.08588	41.8
121.06508	6.1
121.10136	12.6
123.08046	3.0
123.11713	2.7
125.09637	2.4
128.06221	3.8
129.06990	5.9
130.07787	4.7
131.08556	11.1
133.10114	13.9
134.99622	3.5
135.08064	12.3
135.11662	5.6
137.09628	6.6
141.06940	1.4
142.07773	6.1
143.08559	12.9
145.06464	2.6
145.10124	45.5
147.08015	3.6
147.11644	6.0
149.09627	4.2
151.07634	1.4
151.11180	2.4
155.08507	6.6
156.09351	6.2
157.10135	14.4
158.07281	5.3
159.08046	5.1
159.11707	11.9
161.09628	7.6
161.13272	3.8
163.11165	3.1
165.09077	1.7
167.08580	2.9
169.10143	6.7
170.10939	3.1
171.11708	11.6
173.09634	13.4
173.13165	5.9
175.11125	1.6
175.14827	1.7
177.09129	1.9
180.09254	1.3
181.10129	4.5
182.10963	2.9
183.11684	9.3
184.08713	1.6
184.12401	1.3
185.09689	1.7
185.13245	5.8
187.11179	2.2
187.14824	4.1
189.09052	2.2
189.12753	4.9
191.10774	1.5
192.09311	2.0
193.10097	2.9
195.11617	6.0
197.13228	12.7
199.11235	4.7
199.14816	8.0
200.11967	1.7
200.15758	1.5
201.12762	3.9
203.10558	1.3
205.12202	1.7
206.10785	1.6
207.11693	3.6
208.12469	2.8
209.13390	1.9
211.11217	4.6
211.14777	4.3
213.12708	3.5
213.16441	2.9
214.13475	1.6
215.10808	2.3
215.14346	6.7
217.12267	1.6
221.13339	2.2
223.14793	8.3
225.12744	8.1
225.16393	1.8
229.12219	2.5
236.97348	1.2
239.14362	2.6
239.17931	3.3
240.14949	1.2
241.15869	5.1
243.13811	9.2
253.16022	1.8
253.19518	6.6
257.18997	9.3
263.17953	2.7
269.15372	2.1
275.97913	2.4
281.19012	21.2
284.17728	1.7
285.09933	1.4
299.20065	100.0
300.20465	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	299.2004
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
53.03932	0.9
53.42641	0.4
55.01855	0.5
55.05506	3.5
56.48006	0.5
56.96558	1.7
57.03431	1.2
57.07072	3.0
59.04974	1.0
67.05502	4.7
69.03423	0.9
69.07063	5.6
69.71291	2.7
71.04987	0.5
77.03960	0.4
79.05502	2.7
81.03416	1.2
81.07054	8.5
81.94147	0.4
82.95963	0.4
83.04990	1.0
83.08605	1.6
85.06554	1.0
91.05466	4.3
93.07042	3.2
95.04947	1.4
95.08609	4.3
97.06543	2.6
97.10155	1.8
98.06833	0.4
98.97608	0.4
99.00804	0.9
103.05420	0.6
105.07024	2.8
107.04945	0.8
107.08585	2.3
109.10150	3.4
111.04459	0.7
111.08028	0.7
111.11658	0.6
115.05428	3.0
115.66972	0.3
116.98602	0.6
117.07002	3.4
119.08589	2.3
121.06463	1.4
121.10125	1.3
123.04472	0.5
123.11692	12.0
125.09660	0.4
128.06235	1.4
129.07002	1.4
131.08562	1.3
133.06459	0.7
133.10153	2.1
134.99664	0.8
135.08023	0.8
135.11646	0.8
137.05988	0.5
141.06984	0.7
142.07788	0.9
143.08557	2.1
145.06471	100.0
145.10112	1.6
146.06821	0.6
147.08122	1.0
147.11714	0.8
147.21007	0.4
151.11172	0.7
154.07733	0.5
155.08554	1.4
155.36195	0.4
156.09386	1.0
157.06473	1.1
157.10135	2.3
158.07225	0.7
159.08041	8.2
159.11627	1.0
161.01201	0.8
161.09641	1.3
163.03922	1.0
163.07547	3.5
169.10132	1.1
170.07240	0.7
171.08057	4.2
171.11713	1.9
173.09666	3.3
177.09109	0.5
179.08649	0.5
179.10649	0.5
182.07353	0.4
183.08057	1.5
183.11751	0.7
184.08862	0.6
185.09604	9.8
185.13165	0.6
186.06967	0.4
187.03900	0.5
187.11154	2.9
189.09105	3.3
196.08852	0.5
196.67715	0.4
197.09596	5.0
197.13287	0.5
199.09293	0.7
199.11160	11.9
201.09116	0.9
201.12749	0.7
203.07013	0.8
203.10666	4.7
211.11122	3.7
211.14740	0.9
212.11972	0.5
213.05518	0.6
213.12759	1.4
213.16284	0.6
215.10681	3.9
215.14407	0.6
225.10992	0.4
225.12804	3.1
229.12204	2.1
239.14233	0.9
243.13826	0.9
245.22313	0.5
250.67139	0.4
271.01239	0.7
281.18948	3.0
285.10117	1.0
299.12280	2.1
299.20026	60.0
300.20209	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	299.2003
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
55.01877	1.4
55.05515	4.7
56.96558	2.4
57.03429	2.7
57.07068	2.1
67.05508	7.4
69.03416	2.3
69.07074	7.3
69.44006	3.6
69.44427	2.6
74.89218	0.8
79.05503	7.5
81.03432	2.4
81.07058	7.8
83.04978	2.2
83.08621	5.3
85.06551	1.6
91.04915	1.5
91.05482	28.2
91.06044	1.8
93.07047	9.2
95.04964	2.8
95.08615	9.3
97.06529	4.1
97.10165	1.0
98.21523	1.1
103.05475	1.8
105.06332	0.9
105.07037	18.5
107.05000	1.1
107.08601	8.8
107.66966	0.8
109.06517	2.4
109.10167	5.0
111.04481	0.8
111.08088	1.0
115.05467	2.1
116.06224	6.9
116.98605	0.8
117.07026	2.9
119.04953	7.2
119.08582	13.0
119.30645	0.7
121.06517	1.3
121.10156	7.1
123.08070	2.7
123.11709	1.7
125.09618	2.8
128.06227	1.5
129.06996	8.8
131.08568	43.9
132.31686	0.8
133.06506	1.7
133.10129	5.7
135.08043	2.9
137.09615	1.3
141.07024	1.0
142.07796	1.8
143.08577	4.9
145.06448	1.4
145.10117	4.0
147.08069	1.6
147.11655	2.2
149.09633	4.0
151.11235	0.8
154.07755	0.9
155.08560	3.3
156.09331	2.9
157.06522	1.3
157.10118	6.8
159.08057	100.0
159.11678	3.5
160.08344	1.3
161.09608	4.1
161.13249	1.4
163.03906	1.1
163.11235	1.5
165.07063	1.1
167.08597	1.4
169.10135	3.3
171.08005	1.0
171.11676	5.9
173.09680	1.9
173.11717	1.2
173.13257	1.1
175.11212	1.9
176.11884	1.0
179.08441	1.0
180.09370	0.9
181.10066	2.6
182.10899	1.5
183.08061	1.0
183.11711	4.1
185.09612	2.4
185.13266	1.6
186.10277	0.9
187.03955	1.6
187.11198	1.9
189.12778	3.4
192.09285	1.2
193.10126	2.5
194.10976	1.2
195.11690	2.3
197.13240	4.3
199.11194	7.0
199.14874	1.3
201.12714	1.9
203.07086	1.6
207.11708	3.1
209.09790	0.8
211.11195	1.4
211.14818	1.9
213.12700	2.6
213.16367	1.1
215.14381	1.2
221.13298	2.3
223.14842	3.1
225.12790	5.3
225.16365	1.7
234.14076	1.1
235.14787	1.1
237.16458	1.3
239.14326	2.3
239.17938	2.0
243.13824	2.0
248.15660	1.3
253.15894	0.9
253.19470	1.9
254.25017	0.8
257.18988	1.8
263.18015	5.2
267.08945	1.1
281.19009	23.0
281.22119	1.2
299.09698	1.1
299.12903	3.5
299.20062	53.2
300.20432	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	299.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05278	1.1
55.05512	12.0
57.03447	1.0
57.07082	4.7
67.05141	1.4
67.05505	24.3
69.07065	15.9
71.08622	1.5
71.34497	1.6
79.05492	7.0
81.07053	33.0
83.08627	7.6
85.86164	1.1
87.69816	0.9
91.05466	9.7
93.06497	1.7
93.07045	18.3
95.04919	0.9
95.08605	55.8
97.10161	7.9
98.97570	1.2
105.07027	17.5
107.08595	23.1
109.09392	1.8
109.10152	37.1
111.11739	1.0
117.07008	1.5
119.08580	18.8
121.10141	20.3
123.11713	17.5
127.60413	0.9
131.08580	3.9
133.10138	15.3
135.11685	14.2
137.13255	7.7
145.07912	0.8
145.10118	7.1
147.11681	21.7
149.13255	12.7
151.14825	2.5
159.11719	5.1
161.13254	24.5
163.14810	7.2
173.13264	3.8
175.14832	9.2
177.16394	8.7
179.17975	0.8
186.14037	1.1
187.14830	3.9
189.16371	18.5
191.17932	11.3
201.12778	1.4
201.16389	8.9
203.17938	19.2
205.19501	1.3
215.14456	1.8
215.17966	13.3
217.19484	11.4
229.19565	5.9
243.21155	3.9
257.22665	3.7
299.27332	100.0
300.20786	1.0
300.27588	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	300.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13921	0.4
52.27229	0.3
53.03931	0.5
54.88423	0.4
55.01862	0.6
56.96312	0.5
56.96570	5.3
57.03433	1.3
57.60479	0.4
61.02919	1.7
64.15553	0.4
67.05487	0.8
69.03432	2.9
69.95978	1.5
69.96396	0.6
70.06589	1.9
71.05007	0.8
71.84038	0.4
72.08148	1.1
73.02908	1.4
81.03413	1.3
82.06570	0.5
84.04471	0.8
84.08137	1.8
85.02907	5.9
85.06542	0.5
86.09698	4.3
87.04462	0.8
95.04950	0.5
97.02879	3.7
97.06552	0.5
98.06067	0.8
98.21494	0.5
98.97582	2.9
99.04446	0.6
100.07591	0.7
104.52850	0.7
107.08604	0.4
110.07217	0.6
113.04586	0.4
116.07101	3.2
116.98612	2.3
119.01807	0.4
120.08117	1.7
121.03986	0.5
125.04568	1.0
125.10780	0.5
127.03907	1.5
128.98586	1.0
131.00220	0.8
132.04382	0.9
133.01775	0.6
134.99666	1.0
136.06157	1.2
137.02966	0.5
137.55170	0.8
138.05278	5.5
138.09146	11.8
139.05029	1.1
140.03418	0.7
140.05701	1.2
146.55725	1.7
146.99596	0.8
148.18712	0.4
149.01198	0.5
150.05499	0.6
151.04918	0.6
152.05682	1.2
152.06989	0.5
154.01846	0.6
158.99701	0.7
159.03180	0.6
161.01328	0.5
161.04610	1.6
166.08569	0.4
167.54457	1.4
168.05153	5.1
170.05228	4.3
170.55420	0.5
172.02838	1.1
176.07051	0.5
176.54936	0.7
177.00761	1.0
177.04347	1.8
190.03847	1.7
194.08131	0.8
195.05432	1.2
197.05766	0.7
198.06189	0.5
215.17673	0.5
218.57846	6.7
219.01729	1.2
219.06882	2.1
228.07367	0.5
237.02832	2.2
240.08690	1.7
242.07297	1.9
299.60416	1.7
300.10550	100.0
301.09030	1.9
304.21585	0.5
321.08499	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	301.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03943	1.0
55.01867	1.0
55.05513	2.2
56.96559	1.2
57.03444	1.1
57.07079	0.3
59.05001	0.2
64.10642	0.2
65.03947	0.6
65.68362	0.2
66.04720	0.9
67.05505	3.0
68.99789	0.4
69.03426	0.9
69.07066	2.1
69.35938	1.3
69.36344	0.4
71.04987	0.5
73.71398	0.2
75.02366	0.3
77.03947	0.6
79.01864	0.4
79.05494	6.7
81.03407	0.6
81.07053	3.5
82.04162	0.2
83.04996	1.0
83.08607	0.7
84.04572	0.2
85.02913	0.7
85.06561	0.3
86.09730	0.3
87.00027	1.1
87.04472	0.4
89.03915	0.9
91.05482	2.2
92.02621	0.5
93.07040	2.6
94.04193	2.5
95.04965	3.4
95.08613	2.3
97.02909	0.5
97.06529	5.1
97.10155	0.8
98.03691	0.5
98.97610	0.3
103.05474	0.3
105.03404	0.7
105.04533	0.7
105.07027	2.2
106.94521	0.2
107.01328	0.3
107.04963	0.9
107.08613	2.3
109.02876	1.2
109.06522	3.2
109.10169	2.3
111.00785	0.3
111.04440	0.5
111.08056	0.3
111.11742	0.3
115.05467	0.4
116.98619	0.3
117.07043	0.8
119.04921	0.3
119.08588	1.9
121.02875	1.4
121.06482	0.6
121.10164	1.2
122.03641	4.6
122.04500	0.3
123.08058	0.3
123.11712	0.4
125.01546	12.6
125.09597	0.6
126.03143	0.8
128.06227	0.7
129.01048	2.7
129.05519	0.3
129.06993	1.0
130.07869	0.2
131.04939	0.6
131.08549	1.4
133.06511	0.8
133.10136	1.4
135.04414	0.4
135.08041	1.4
135.11705	0.7
137.01465	0.3
137.02402	0.5
137.05971	0.6
137.09608	0.3
137.13196	0.3
138.99463	33.0
139.00510	2.1
141.05530	0.2
141.06979	0.4
141.14465	0.2
142.07745	0.2
143.08577	0.7
144.05663	0.2
145.06508	0.4
145.10121	1.5
147.04364	0.3
147.08069	1.4
147.11714	0.6
149.01329	0.4
149.05968	0.4
149.09589	0.4
149.13190	0.4
150.03127	0.4
152.06194	3.3
153.06973	0.7
154.02628	0.3
155.07018	5.6
157.06543	0.3
157.10144	0.5
159.08026	1.1
159.11710	1.1
161.05928	0.3
161.09622	8.0
161.13263	0.5
162.99492	0.7
163.03917	0.4
163.11218	1.2
165.05476	96.2
166.05815	0.8
166.07773	1.4
167.08545	4.4
168.04305	0.4
168.05672	0.3
169.10155	0.3
170.07216	0.3
171.08075	0.4
171.11688	0.5
173.09619	0.8
173.13306	0.4
175.07567	0.6
175.11229	0.4
175.14777	0.3
176.04662	0.4
176.06146	0.4
177.05560	0.4
177.07008	1.7
177.09137	0.4
178.07767	2.1
179.08527	1.0
180.05731	0.5
181.06447	1.0
181.10164	0.3
181.12198	0.4
183.08087	0.3
183.11601	0.2
185.05995	0.3
185.09621	0.4
185.13315	0.4
187.03017	1.5
187.07582	1.1
187.11163	0.3
187.14822	0.6
189.05502	0.3
191.10683	0.2
193.06432	0.5
194.07272	1.6
195.08057	5.0
197.13177	0.3
199.03053	3.3
199.11128	0.4
199.14882	0.5
201.04637	1.0
201.09077	1.3
201.12701	0.4
201.16400	0.8
203.07011	1.0
205.06529	0.8
205.08632	2.0
207.08133	0.6
208.05309	0.4
208.08800	0.5
209.09758	0.3
209.11685	0.4
210.10349	0.3
211.03387	0.2
212.03894	1.6
213.04674	0.4
213.12782	0.6
213.16380	0.3
215.02577	7.8
215.06984	0.3
215.14262	0.3
221.05992	0.3
222.06757	0.4
223.07533	6.0
223.14844	0.3
226.01804	0.8
226.06285	0.5
227.02570	8.5
227.12630	0.5
228.03363	1.6
229.04123	2.6
230.04932	0.9
231.10283	0.3
235.07558	2.1
237.09175	0.4
238.09866	6.0
239.02420	0.5
240.03409	0.4
241.04118	1.5
241.08688	0.4
241.15834	0.2
242.04938	17.3
243.02078	8.9
243.05727	0.6
251.07072	0.8
253.16013	0.3
255.11267	0.3
255.17551	0.2
255.20966	0.3
256.02734	0.3
257.03644	3.7
257.11728	0.6
258.04428	14.0
259.09769	0.5
260.08362	0.2
266.09399	1.4
270.04413	2.3
272.02310	0.4
273.06757	13.5
283.13232	0.4
283.17068	0.2
283.20551	0.8
283.23615	0.2
285.03226	0.5
286.03897	1.8
301.06250	100.0
301.21579	15.6
301.24902	0.6
302.06610	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	301.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.7
53.03944	1.1
55.01864	1.0
55.05509	2.0
56.96565	0.9
57.03425	1.1
57.07066	0.3
58.77774	0.3
60.06835	0.2
65.03934	0.8
66.04711	1.1
67.05515	2.8
69.03419	0.9
69.07078	2.1
71.04986	0.4
71.42580	0.3
71.48972	0.3
75.02336	0.2
75.04465	0.3
77.03925	0.5
79.01848	0.3
79.05495	7.1
80.10888	0.2
80.87947	0.3
81.03422	0.9
81.07064	4.3
83.04983	1.5
83.08613	0.7
85.02901	0.9
85.06553	0.5
87.00019	0.9
89.03880	0.4
91.05486	2.6
92.02626	0.3
93.07050	2.7
94.04188	3.3
95.04972	3.4
95.08609	2.4
95.92400	0.3
97.02890	0.7
97.06538	5.9
97.10169	0.7
98.97601	0.6
99.08074	0.3
103.05483	0.3
103.07090	0.2
105.03394	0.7
105.04518	0.7
105.07014	2.1
107.04951	1.3
107.08616	1.8
109.02899	0.9
109.06521	3.1
109.10166	1.8
111.04429	1.0
111.11691	0.3
113.06048	0.4
115.05429	0.4
116.98627	0.5
117.07027	0.9
119.04987	0.3
119.08563	2.2
121.02847	1.3
121.06507	0.5
121.10126	1.6
122.03651	4.5
123.02631	0.3
123.04478	0.3
123.08161	0.3
123.11729	0.4
125.01553	13.0
125.09653	0.8
126.03155	0.5
129.01039	2.7
129.05446	0.3
129.07033	0.6
131.04897	0.7
131.08545	1.3
133.02838	0.5
133.06522	0.9
133.10162	1.3
135.04463	0.5
135.08073	1.0
135.11674	1.3
137.01451	0.4
137.02388	0.4
137.05986	1.0
137.09644	0.4
138.99469	34.4
139.99773	0.3
140.32921	0.3
141.07010	0.4
142.07762	0.3
143.08566	0.5
145.06364	0.3
145.10126	2.1
147.08051	0.7
147.11673	0.5
148.05057	0.3
149.01370	0.4
150.03101	0.3
150.09122	0.4
151.07541	0.3
152.06224	3.6
153.06934	0.6
154.02611	0.3
155.07056	6.3
155.08369	0.4
157.10149	0.6
159.08035	0.9
159.11713	1.1
161.05980	0.6
161.09598	0.9
161.13297	0.3
162.99475	0.9
163.03886	0.6
163.11137	1.5
165.05482	100.0
166.05846	0.6
166.07762	1.4
167.07141	0.5
167.08569	4.6
168.04210	0.6
169.06485	0.5
171.11792	0.5
173.09650	0.6
173.13300	0.8
175.07561	1.0
175.14824	0.3
176.04747	0.5
176.06122	0.7
177.00594	0.4
177.05634	0.5
177.07001	1.8
177.09143	0.7
178.07805	2.1
179.01646	0.4
179.08488	0.8
180.05710	0.8
180.09421	0.3
181.06499	0.9
181.12187	0.5
183.08054	0.4
185.13289	0.7
187.03145	1.8
187.07567	0.8
187.14790	0.3
189.09085	0.3
191.03931	0.3
191.10667	0.5
193.06471	0.9
194.07222	1.4
195.08051	4.6
197.08101	0.5
197.13245	0.4
198.06819	0.4
199.03096	3.2
199.11191	0.3
199.14784	0.4
200.04161	0.5
201.04675	1.1
201.09113	1.7
201.12758	0.3
203.07048	0.7
205.06514	0.9
205.08612	1.8
205.12245	0.5
207.07971	0.4
208.08736	0.5
209.11670	0.6
210.10466	0.3
211.07803	0.3
212.03755	1.3
212.08322	0.3
213.04622	0.6
213.09015	0.4
213.16394	0.4
214.12259	0.4
215.02586	7.8
215.14217	0.4
220.10362	0.3
221.05986	0.4
223.07547	5.6
225.12833	0.3
226.01768	0.5
227.02586	7.7
227.12689	0.4
228.03339	2.0
229.04161	2.2
230.04996	0.5
235.07555	2.0
237.02840	0.8
238.09889	5.9
240.03409	0.4
241.04164	1.1
241.08527	0.5
241.15912	0.3
242.04933	16.6
243.02100	8.8
243.05750	0.8
251.07146	0.8
255.01936	0.3
255.11209	0.9
257.03683	3.5
257.11758	1.1
258.04440	13.5
259.10242	0.5
266.09357	1.8
269.03491	0.3
270.04468	2.6
272.02594	0.4
272.07816	0.4
273.06750	12.9
279.03976	0.8
283.20505	0.8
285.03000	0.4
286.03925	2.0
301.06265	96.8
301.14166	3.1
301.21631	4.2
302.06519	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	301.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
53.50344	0.5
55.01854	1.2
56.96556	3.5
57.03437	3.2
61.02926	5.6
65.67337	0.5
67.05499	0.6
69.03426	13.0
69.88990	2.5
70.06590	2.0
70.70327	0.5
71.04984	1.5
72.08164	0.7
72.35323	0.6
73.02911	2.8
78.03461	0.8
78.70326	0.5
81.03415	4.6
81.04533	5.2
84.04477	0.8
84.08115	1.6
84.96018	1.0
85.02904	25.6
85.06549	1.1
86.03224	0.7
86.06054	0.8
87.04459	2.2
89.64747	0.5
91.00025	0.6
91.03960	1.2
94.02916	1.2
97.02889	10.8
98.03183	0.8
98.97571	4.1
99.04436	1.8
100.07603	1.5
101.00836	1.0
109.02866	2.6
110.97557	0.8
112.05096	0.6
112.99136	1.1
114.05570	1.3
115.03922	0.6
116.84671	0.5
116.98655	2.6
119.01912	1.6
120.08107	1.0
121.04023	1.1
121.08428	0.8
122.02394	9.6
122.06036	2.8
122.07133	1.8
127.03932	4.3
128.98628	1.7
131.00179	1.7
131.01884	1.1
133.03400	0.7
135.25906	0.5
135.34412	0.5
139.05023	100.0
140.03419	70.1
140.05217	1.3
140.07043	3.4
140.08188	10.1
143.00232	0.7
145.01674	0.8
145.03432	0.6
145.04951	2.1
146.99658	0.6
148.03922	0.8
153.05772	2.0
155.01923	0.8
157.03429	1.1
158.99686	0.9
161.02946	1.1
161.06612	0.8
161.54626	0.6
163.02788	1.9
163.04359	2.6
165.00703	0.8
166.02379	0.6
169.04350	1.4
169.07231	0.7
170.05128	3.0
173.02927	1.3
174.08769	1.2
175.04445	0.7
177.00688	1.2
177.04202	1.8
179.35529	0.6
185.06653	0.8
191.02237	0.6
191.03981	1.0
192.04626	1.1
201.89151	0.5
203.07773	1.2
209.02829	0.5
219.01801	2.0
221.05048	2.5
221.06827	0.6
224.08049	0.9
237.02771	3.4
301.10178	4.9
301.14496	1.2
302.13431	7.5
305.10919	2.8
319.15311	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01880	8.4
55.05512	50.1
56.96547	1.7
57.03438	26.5
57.07066	3.7
59.04995	4.2
65.36549	1.6
67.05504	100.0
69.03413	2.1
69.07065	11.8
69.44183	12.0
71.04990	5.0
73.02934	2.2
79.05489	29.9
81.03430	4.0
81.06606	2.7
81.07060	38.1
83.04980	12.4
83.08611	13.8
85.02905	9.2
85.06542	4.4
87.04477	2.9
87.33800	1.6
91.05461	15.7
93.07047	20.5
95.04955	8.0
95.08594	13.9
97.02852	1.7
97.06536	7.1
97.10168	22.3
98.21507	3.2
99.08122	1.9
103.03936	3.6
103.89722	1.6
105.07049	8.5
107.04955	7.2
107.08601	19.9
109.06531	3.8
109.10159	62.1
111.04441	4.5
111.08075	5.9
117.07035	5.0
119.08572	10.0
120.33395	1.5
121.06498	3.4
121.10144	13.2
123.08048	2.5
125.09642	19.4
131.08577	5.3
133.10081	2.3
135.11671	7.3
137.09587	2.0
139.11130	2.5
143.10680	3.6
145.06499	1.9
145.10115	10.1
147.11641	1.7
149.09657	5.0
153.12767	2.9
155.10684	2.0
163.11218	9.6
173.09583	2.8
173.11707	12.0
181.12187	3.2
191.10756	3.2
199.13293	6.2
209.11761	3.8
227.12772	6.5
229.14354	2.0
245.13934	4.4
257.13821	28.1
271.08719	2.1
297.06442	2.1
301.16571	45.3
301.21564	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01865	5.0
55.05512	49.5
56.96560	3.1
57.03438	24.4
57.07069	2.2
59.04995	5.3
65.03926	3.9
67.05506	100.0
69.03438	4.0
69.07077	11.7
71.04985	4.3
79.05495	25.0
81.03407	4.5
81.07058	34.0
83.04987	7.3
83.08622	13.4
84.08903	1.5
85.02903	12.6
85.06585	3.0
87.04474	4.4
89.91381	1.3
91.05486	16.3
93.07044	15.8
95.04977	5.0
95.08610	12.3
97.02908	3.3
97.06532	4.2
97.10169	25.8
99.08072	2.8
103.03970	3.1
105.07032	6.4
107.04957	4.0
107.08595	17.9
109.06491	2.1
109.10161	63.7
110.10538	2.0
111.04456	2.2
111.08088	4.2
111.11691	1.7
117.06995	2.0
117.19187	1.4
119.08604	10.3
121.10140	12.0
123.08099	2.2
125.09635	17.4
127.08543	1.3
129.07036	1.8
129.97096	1.6
131.08577	5.6
133.10112	3.1
135.11688	8.3
135.58493	1.5
137.09573	3.1
139.11157	4.2
142.55396	1.3
143.10680	3.2
145.10172	7.8
147.08022	2.1
149.09685	2.9
149.86018	1.3
153.12756	2.4
155.10677	1.8
161.09595	1.9
163.11165	8.2
173.09637	1.6
173.11748	12.8
181.12262	3.4
191.10733	2.5
199.13353	5.7
203.12611	1.9
209.11708	4.7
227.12764	5.9
229.44640	1.5
245.13896	4.9
257.13831	28.2
286.85123	1.3
301.13571	3.5
301.16544	47.7
301.21649	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.2
55.01869	25.9
55.05513	37.4
56.96556	15.2
57.03439	55.9
57.07058	7.3
61.02927	5.1
65.03941	5.8
67.05505	89.7
69.03421	21.1
69.07062	41.5
69.27853	21.6
69.28282	18.0
70.06578	7.5
71.01385	4.6
71.04980	16.7
71.29767	3.7
72.08162	4.9
73.02905	5.4
74.02427	10.2
77.03915	4.8
79.05495	93.3
81.03416	20.2
81.07053	79.3
82.02126	4.1
83.04988	39.9
83.08625	21.0
85.02899	23.3
85.06541	13.7
86.09699	21.8
87.04460	4.4
91.05484	74.1
93.07040	100.0
95.04964	41.8
95.08591	40.9
97.02892	17.7
97.06549	35.4
97.10168	6.4
98.20757	8.8
98.97577	19.4
99.04433	9.4
100.07597	8.3
103.05436	7.1
105.07027	38.9
107.04948	46.5
107.08592	55.8
109.06500	14.3
109.10147	26.9
109.94759	5.4
111.04426	49.4
111.08054	12.0
115.05459	11.2
116.98602	10.8
117.07027	38.6
119.04949	11.4
119.08604	34.0
120.08127	7.9
121.06496	19.8
121.10141	70.5
123.08096	10.3
123.11707	5.6
124.07545	4.5
125.06014	10.4
128.06221	6.9
128.98543	5.7
129.05519	5.0
129.06990	14.8
130.06525	25.9
130.07448	4.2
131.04924	9.8
131.08551	28.9
133.06451	8.4
133.10107	15.1
134.99715	6.2
135.08072	14.3
135.11694	65.0
137.05968	47.7
137.09578	9.3
138.09106	16.1
139.11153	12.8
143.07339	6.0
143.08563	12.5
144.08072	60.5
145.06467	16.0
145.10117	67.0
146.99625	9.9
147.05574	6.2
147.08095	9.5
147.11659	7.8
149.05998	16.7
149.09569	22.3
151.07524	42.5
152.06084	5.1
153.07010	13.2
153.12709	17.8
155.08540	18.2
157.06488	5.4
158.09711	4.4
161.01221	5.5
161.05965	10.3
161.09509	6.4
163.11206	77.8
165.06966	8.1
165.09041	5.0
167.08461	5.8
169.06400	7.1
170.06026	13.0
171.11647	6.5
173.09590	42.4
173.13205	10.2
177.00677	5.2
177.09076	16.7
179.07077	5.0
181.06487	11.9
181.10121	6.8
181.12201	28.1
185.09616	6.0
185.13208	6.9
186.09135	9.7
188.09438	6.9
189.00708	5.9
191.09004	5.2
191.10637	38.2
195.08035	7.7
195.11778	5.1
197.05983	6.5
198.06717	9.8
199.11134	4.7
203.11639	5.8
209.06018	6.4
209.09779	8.2
209.11697	57.9
213.09076	7.3
214.08633	12.3
215.14432	4.9
219.01738	11.9
226.06264	12.2
227.12747	33.2
231.11284	5.0
237.02797	17.1
241.08574	12.7
241.12166	8.0
241.16014	10.5
245.13902	10.5
251.06973	5.2
255.11272	28.7
258.06378	5.6
259.10794	70.3
266.08069	21.7
269.08133	8.8
272.08047	6.8
273.11243	5.5
281.08716	5.4
283.06479	5.0
283.10550	10.3
283.15442	18.7
283.20230	5.7
290.09247	5.2
290.59573	5.0
301.03464	6.3
301.11462	70.5
301.16547	76.4
301.21625	15.6
302.11832	5.7
311.12610	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.2
55.01869	25.9
55.05513	37.4
56.96556	15.2
57.03439	55.9
57.07058	7.3
61.02927	5.1
65.03941	5.8
67.05505	89.7
69.03421	21.1
69.07062	41.5
69.27853	21.6
69.28282	18.0
70.06578	7.5
71.01385	4.6
71.04980	16.7
71.29767	3.7
72.08162	4.9
73.02905	5.4
74.02427	10.2
77.03915	4.8
79.05495	93.3
81.03416	20.2
81.07053	79.3
82.02126	4.1
83.04988	39.9
83.08625	21.0
85.02899	23.3
85.06541	13.7
86.09699	21.8
87.04460	4.4
91.05484	74.1
93.07040	100.0
95.04964	41.8
95.08591	40.9
97.02892	17.7
97.06549	35.4
97.10168	6.4
98.20757	8.8
98.97577	19.4
99.04433	9.4
100.07597	8.3
103.05436	7.1
105.07027	38.9
107.04948	46.5
107.08592	55.8
109.06500	14.3
109.10147	26.9
109.94759	5.4
111.04426	49.4
111.08054	12.0
115.05459	11.2
116.98602	10.8
117.07027	38.6
119.04949	11.4
119.08604	34.0
120.08127	7.9
121.06496	19.8
121.10141	70.5
123.08096	10.3
123.11707	5.6
124.07545	4.5
125.06014	10.4
128.06221	6.9
128.98543	5.7
129.05519	5.0
129.06990	14.8
130.06525	25.9
130.07448	4.2
131.04924	9.8
131.08551	28.9
133.06451	8.4
133.10107	15.1
134.99715	6.2
135.08072	14.3
135.11694	65.0
137.05968	47.7
137.09578	9.3
138.09106	16.1
139.11153	12.8
143.07339	6.0
143.08563	12.5
144.08072	60.5
145.06467	16.0
145.10117	67.0
146.99625	9.9
147.05574	6.2
147.08095	9.5
147.11659	7.8
149.05998	16.7
149.09569	22.3
151.07524	42.5
152.06084	5.1
153.07010	13.2
153.12709	17.8
155.08540	18.2
157.06488	5.4
158.09711	4.4
161.01221	5.5
161.05965	10.3
161.09509	6.4
163.11206	77.8
165.06966	8.1
165.09041	5.0
167.08461	5.8
169.06400	7.1
170.06026	13.0
171.11647	6.5
173.09590	42.4
173.13205	10.2
177.00677	5.2
177.09076	16.7
179.07077	5.0
181.06487	11.9
181.10121	6.8
181.12201	28.1
185.09616	6.0
185.13208	6.9
186.09135	9.7
188.09438	6.9
189.00708	5.9
191.09004	5.2
191.10637	38.2
195.08035	7.7
195.11778	5.1
197.05983	6.5
198.06717	9.8
199.11134	4.7
203.11639	5.8
209.06018	6.4
209.09779	8.2
209.11697	57.9
213.09076	7.3
214.08633	12.3
215.14432	4.9
219.01738	11.9
226.06264	12.2
227.12747	33.2
231.11284	5.0
237.02797	17.1
241.08574	12.7
241.12166	8.0
241.16014	10.5
245.13902	10.5
251.06973	5.2
255.11272	28.7
258.06378	5.6
259.10794	70.3
266.08069	21.7
269.08133	8.8
272.08047	6.8
273.11243	5.5
281.08716	5.4
283.06479	5.0
283.10550	10.3
283.15442	18.7
283.20230	5.7
290.09247	5.2
290.59573	5.0
301.03464	6.3
301.11462	70.5
301.16547	76.4
301.21625	15.6
302.11832	5.7
311.12610	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	301.1646
Annotation	Strobilol C
Peak:m/z	Relative Intensity
53.03946	9.6
55.01859	22.2
55.05511	48.2
56.96549	20.8
57.03441	38.1
57.07066	6.1
59.04987	5.0
67.05505	74.6
69.03408	18.9
69.07072	37.1
69.39470	4.3
69.39771	43.9
71.01350	5.1
71.04984	16.0
71.50827	4.5
71.52984	4.5
75.59401	4.4
79.05491	66.9
81.03418	11.6
81.07056	73.9
83.04996	30.9
83.08621	23.0
85.02899	18.7
85.06552	9.2
86.09659	6.7
91.05484	46.7
93.07041	85.3
95.04978	25.2
95.08614	62.6
97.02901	11.0
97.06526	100.0
97.10165	17.5
98.97581	27.9
99.28094	5.1
105.07021	54.4
107.04981	24.1
107.05653	4.7
107.08592	69.0
109.06501	16.7
109.10155	39.8
111.04471	28.9
111.08086	11.1
115.05383	6.6
116.98608	14.7
117.07005	17.6
119.04966	8.2
119.08566	38.6
121.06522	15.4
121.10126	36.9
123.08059	8.7
123.11705	7.2
125.09632	16.0
129.05467	5.6
129.06973	16.6
130.07806	6.3
131.08592	28.0
132.36732	5.2
133.02817	4.9
133.06470	19.2
133.10127	27.5
134.99648	12.0
135.08015	14.2
135.11691	54.6
137.06009	7.1
138.09172	6.9
142.07809	7.3
143.08551	11.8
145.06482	11.7
145.10155	40.0
146.99501	5.1
147.08032	16.9
147.11705	14.6
149.05966	10.6
149.09547	5.9
149.13232	10.4
151.11147	7.3
153.07021	12.9
153.12671	13.9
155.08543	14.3
157.06572	5.9
157.10098	13.8
158.99672	5.6
159.08038	18.0
159.11650	7.5
161.09601	14.0
161.13268	8.4
163.11169	68.6
165.05510	5.8
165.07063	8.6
165.09088	15.3
167.07169	7.0
167.08583	8.9
169.06387	6.0
170.07336	5.5
171.08066	6.5
171.11725	8.4
173.09636	20.2
173.13283	14.3
175.07608	12.5
175.11221	34.8
177.00676	13.6
181.06453	10.7
181.12260	31.3
185.09628	11.1
185.13251	5.8
187.07637	12.5
189.12711	7.3
191.10664	18.2
195.08043	6.6
198.06729	10.9
199.11200	14.0
199.14864	14.0
201.09122	17.0
201.16441	6.5
203.07066	10.7
205.08588	24.5
205.12204	16.1
209.11682	11.8
211.09787	11.2
213.09099	12.0
213.12756	6.6
215.06989	9.3
215.14288	19.1
219.01793	10.8
224.07043	6.3
225.05943	5.5
226.06128	7.3
227.12729	84.4
229.12282	8.8
229.14255	12.2
237.02802	5.4
241.08640	15.7
241.15797	7.1
245.19003	8.8
255.10555	63.6
257.11642	27.2
269.08481	7.3
269.12308	7.1
272.07843	5.9
279.03842	8.0
283.15417	22.0
283.20523	20.7
285.09985	10.4
287.10257	17.2
301.03424	6.6
301.06830	10.3
301.10931	53.8
301.14392	38.7
301.16129	10.7
301.17825	12.4
301.21606	62.6
301.24994	7.0
302.14536	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.2
55.01874	16.5
55.05515	15.4
56.96557	4.3
57.03440	20.6
59.05000	1.6
65.03943	4.6
67.05505	42.1
67.36829	1.7
69.03431	4.2
69.07060	12.7
71.03959	3.4
71.04993	5.2
73.02918	3.0
79.05497	29.1
81.03413	3.8
81.07053	36.6
83.04985	47.0
83.08616	8.0
85.02896	6.7
85.06532	6.0
91.05485	22.6
93.07043	38.3
95.04961	10.7
95.08610	18.7
97.01089	2.2
97.02897	3.0
97.06527	19.3
97.10128	2.6
98.72866	1.7
98.97569	2.5
99.04465	6.0
99.08091	3.7
100.07619	2.1
104.90189	1.5
105.07028	17.3
107.04964	18.0
107.08585	28.2
109.06468	3.7
109.10162	18.4
111.02783	2.0
111.04446	68.6
111.08073	22.6
116.98553	1.6
117.07018	11.2
119.05008	2.4
119.08568	18.9
120.08134	2.1
121.06496	7.4
121.10146	24.5
123.04401	2.7
123.11734	1.9
125.05995	5.2
125.09676	2.0
129.05472	3.7
129.07022	4.1
130.07771	2.0
131.08568	13.5
133.10150	15.5
134.06018	6.5
135.08060	5.5
135.10722	2.7
135.11696	30.2
137.05980	4.7
137.09618	3.1
138.09119	2.5
139.07576	2.7
139.11156	2.9
141.00069	3.1
141.06979	2.3
143.08504	3.8
145.06477	4.5
145.10114	22.6
147.08084	2.7
147.11665	10.0
149.06003	2.0
149.09604	5.4
150.09142	11.3
151.11218	2.7
152.06064	2.0
152.07088	6.8
153.03668	2.2
153.06992	2.6
153.12740	34.1
155.01617	7.1
155.08548	6.4
157.06512	2.2
157.10129	3.2
159.08084	2.5
159.11682	3.6
161.09631	7.6
163.03806	2.0
163.11172	51.8
165.07285	8.5
165.08786	1.4
166.08009	2.7
167.08603	2.4
169.06477	2.0
169.10138	1.9
170.07239	2.6
171.11691	2.9
173.09613	11.9
175.07529	1.6
175.11157	2.6
177.05255	1.9
179.09003	2.0
179.10658	7.0
181.06508	4.4
181.10616	3.4
181.12247	57.9
183.08144	2.2
183.11752	3.5
185.13252	2.6
187.07616	4.1
189.09116	2.7
191.09042	2.0
191.10661	54.1
193.06839	3.3
195.08244	2.8
197.05994	2.4
197.13281	2.4
198.06772	3.5
205.08543	3.1
209.06062	1.7
209.09904	5.0
209.11673	22.8
213.09277	2.9
215.07166	2.1
226.06180	2.5
227.12801	57.8
237.09506	3.3
241.08664	4.9
241.12135	2.4
241.19524	2.3
255.10507	100.0
256.11017	1.9
257.11508	3.1
269.08072	3.3
283.10233	2.3
283.15298	10.6
283.20386	2.8
301.11069	31.0
301.16519	34.6
301.21509	21.2
302.11404	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.8
55.01870	23.9
55.05516	38.7
56.96568	4.8
57.03172	3.5
57.03441	52.5
61.79228	2.6
65.03941	6.6
67.05510	96.7
69.03427	12.2
69.07060	26.4
69.36277	5.9
69.36681	22.5
71.04996	14.1
73.02907	7.7
79.05499	84.2
81.03426	15.0
81.06602	5.7
81.07057	70.5
83.04987	50.3
83.08627	14.6
85.02905	9.3
85.06564	13.2
85.07034	2.8
91.05479	53.8
93.07048	100.0
95.01333	6.0
95.04971	25.8
95.08607	34.1
97.02893	11.8
97.06539	24.1
97.10182	6.7
98.21510	5.5
98.97619	4.4
99.04452	8.3
99.08057	2.5
100.07579	3.0
103.03931	3.4
105.07027	26.6
105.80004	2.5
107.04964	47.1
107.08607	42.3
109.02898	6.3
109.06524	12.1
109.10169	18.9
111.04445	68.9
111.08070	13.4
113.40302	2.6
115.05445	3.8
117.07028	21.1
119.04980	4.7
119.08595	26.3
120.08128	2.8
121.06500	11.1
121.10147	81.6
123.04458	4.7
123.08058	8.0
123.11745	3.0
125.06019	8.1
125.09630	6.4
128.06224	3.9
129.05525	6.4
129.06979	9.2
130.07756	3.6
131.04930	9.3
131.07542	3.9
131.08571	28.5
133.06514	3.8
133.10115	8.3
135.08020	5.6
135.11697	51.7
137.05978	24.6
137.09622	3.4
139.11220	7.8
141.06963	2.9
143.08574	5.5
145.06500	13.1
145.10124	68.4
147.08049	7.1
147.11708	5.3
149.05927	3.1
149.09602	17.4
153.06998	5.2
153.12746	23.8
155.08611	13.8
157.10074	4.4
163.11189	77.1
166.04935	2.8
167.07098	5.0
167.08502	3.5
167.10657	5.8
171.11711	3.4
173.09651	40.2
181.12221	39.9
189.05417	5.7
191.10689	58.6
196.63345	2.9
203.12737	6.5
209.11769	61.4
214.12367	6.8
227.12854	39.5
228.10280	3.9
229.08784	4.0
237.10051	3.4
240.10300	5.4
241.12242	3.5
255.11453	16.9
258.11362	9.9
259.10883	4.2
265.14560	3.7
269.08209	3.4
270.09995	7.4
272.07904	33.8
273.12234	4.8
273.14984	4.4
283.10703	7.8
283.15463	34.2
301.11740	67.4
301.16458	86.7
301.21658	6.5
302.11865	4.1
302.16870	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29947	2.2
53.03947	5.5
55.01878	21.1
55.05515	100.0
56.96558	10.1
57.03167	3.2
57.03439	55.3
57.07071	6.7
59.04987	9.4
65.03930	4.8
67.05505	74.3
69.03431	8.8
69.07066	29.1
69.86076	13.4
71.01345	9.0
71.04990	10.4
71.85234	2.5
73.02927	5.1
75.04465	3.9
76.21485	2.2
79.05025	3.4
79.05496	64.3
81.03406	18.7
81.06609	4.3
81.07062	66.2
83.01325	4.1
83.04984	35.4
83.08622	26.5
85.02903	38.2
85.06529	4.4
87.04458	12.1
91.05476	35.7
93.07044	45.5
95.04968	14.8
95.08604	40.3
97.02888	7.9
97.06525	23.2
97.10172	48.3
99.04462	4.2
99.08082	3.4
103.03944	12.4
105.07028	27.4
107.04952	14.0
107.08590	49.0
109.02895	3.0
109.06509	8.5
109.10141	26.4
111.04449	15.5
111.08066	11.3
111.11707	2.3
113.06001	3.5
115.02463	2.7
115.05495	2.5
116.98607	2.9
117.07027	13.1
119.08591	30.8
121.06511	6.0
121.10158	31.1
123.08096	13.8
125.05894	3.4
125.09628	62.0
129.05475	4.4
129.07013	9.0
130.07802	4.1
131.04948	5.3
131.08560	14.3
133.06502	3.1
133.10135	14.9
134.99707	2.8
135.04408	2.6
135.08032	4.7
135.11685	26.1
137.09624	4.5
139.11140	5.8
142.07785	3.4
143.08578	5.6
143.10699	5.2
145.06497	4.3
145.10088	31.2
147.08072	12.8
147.11662	5.1
149.01161	3.9
149.05966	3.0
149.09605	5.3
151.11163	5.3
153.12755	15.4
155.08531	7.4
156.09370	3.2
157.10139	7.9
159.11725	13.8
161.09680	4.0
161.13277	3.0
163.03906	4.8
163.11185	52.1
165.05482	5.2
167.08563	4.2
169.10077	4.0
171.11713	7.5
173.09622	11.2
173.13293	3.8
175.11179	4.3
179.10609	3.0
180.09373	3.6
181.10184	4.2
181.12206	18.2
182.10919	7.2
183.11681	7.0
185.13304	6.0
189.11208	3.8
191.10666	15.1
195.11696	7.8
197.13245	14.0
199.13312	5.2
201.16205	2.7
209.11719	23.3
209.13228	4.8
211.14812	4.8
221.13211	3.1
223.14861	5.3
227.12688	18.4
236.83141	2.3
257.13861	4.6
265.19525	24.5
283.15244	4.5
283.20551	10.9
301.06299	3.4
301.16476	73.7
301.21637	40.3
301.25031	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24070	2.9
53.03939	5.8
53.31653	2.5
55.01873	15.1
55.05513	100.0
56.96558	7.0
57.03438	45.2
57.07064	6.3
59.04994	3.2
67.05505	53.9
69.03423	8.0
69.07063	28.6
69.57639	19.3
70.06590	3.2
70.19913	2.3
71.01336	5.2
71.04985	7.6
75.04478	6.9
78.92452	2.8
79.05086	2.2
79.05495	49.8
81.03414	9.1
81.07059	46.6
83.04982	20.0
83.08629	22.5
85.02908	29.0
85.06519	4.1
87.04459	8.0
91.05469	18.4
93.07042	27.3
95.04967	13.3
95.08608	29.3
97.02897	3.8
97.06528	16.9
97.09571	3.9
97.10170	57.9
98.97555	6.4
103.03936	25.5
104.48415	3.1
105.07039	11.5
107.04955	4.8
107.08598	40.7
109.06509	3.5
109.10155	21.1
111.04433	10.6
111.08067	4.2
116.98653	3.6
117.06988	8.0
119.08581	11.6
121.06463	3.9
121.10149	17.9
123.08076	5.0
125.06025	3.5
125.09629	71.1
128.06203	3.4
129.06996	4.2
131.08568	10.4
133.06482	2.5
133.10126	10.3
134.99648	5.3
135.11665	12.9
137.09644	3.6
139.11192	9.7
143.08562	4.1
143.10687	8.2
145.10133	13.3
147.08009	6.4
149.09625	3.7
151.11148	2.8
153.12737	8.7
155.08548	3.6
157.10187	3.2
159.11676	5.2
161.09662	4.3
163.03934	6.8
163.11203	18.7
171.11835	2.9
173.09624	4.8
173.13179	3.1
177.09280	2.8
178.32391	3.0
181.12183	12.4
183.11855	2.8
189.05453	2.8
191.10703	7.9
195.11636	3.4
199.13284	10.2
209.11746	12.9
227.12762	11.9
229.07642	3.6
236.93683	3.1
240.23190	3.2
245.13850	4.7
257.11551	3.6
257.13922	6.7
278.16360	2.9
278.96805	3.5
283.15414	11.6
283.20609	3.8
301.11176	4.3
301.16486	56.7
301.21329	20.1
301.24930	3.9
301.29175	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	301.1797
Annotation	4-Methoxyestrone
Peak:m/z	Relative Intensity
53.03936	1.2
55.01861	1.7
55.05508	8.9
56.96566	1.4
57.03205	0.5
57.03439	4.5
57.07066	1.0
65.03917	0.5
67.05503	7.3
69.03427	1.4
69.07070	5.9
69.90824	3.0
71.01346	1.0
71.04978	1.0
73.02930	0.8
73.19397	0.4
79.05498	6.2
81.03427	2.1
81.07063	8.7
83.04981	3.7
83.08620	3.9
84.38174	0.6
85.02916	2.7
85.06548	1.3
87.04504	0.6
91.05467	3.8
92.36743	0.5
93.07047	5.1
95.04977	2.3
95.08617	5.0
97.02918	0.9
97.06532	3.5
97.10165	4.4
98.97582	1.0
103.03974	1.0
103.05502	0.4
103.85611	0.5
105.07031	3.1
107.04963	2.4
107.08587	5.1
109.06544	1.1
109.10161	4.8
111.04469	1.1
111.08104	1.1
113.09647	0.5
115.05453	1.0
117.07059	1.6
119.08578	2.9
121.06518	1.6
121.10152	4.6
123.08060	0.7
125.09635	4.2
129.05457	0.5
129.06996	1.3
131.04922	10.0
131.05850	0.7
131.08604	2.4
131.77290	0.5
133.05531	0.6
133.06514	2.2
133.10136	1.8
134.99625	0.8
135.11707	2.2
137.09586	1.0
139.11168	2.5
143.08563	1.3
143.10718	0.7
145.06467	7.6
145.10109	2.5
147.08054	4.8
147.11729	0.9
149.05983	33.2
149.09558	0.9
153.07014	0.6
153.12778	1.0
155.08557	0.6
157.06447	0.8
157.10124	0.9
159.08046	5.2
159.11728	1.3
161.09583	1.5
163.03932	1.8
163.07562	6.2
163.11197	3.6
165.05544	0.7
171.08047	3.8
171.11771	0.7
173.09631	2.1
173.13332	0.8
175.07547	2.4
175.11240	1.2
177.05460	0.6
177.09129	0.8
181.12311	2.1
183.08136	0.5
184.08931	0.6
185.09663	2.2
187.07513	1.4
187.11134	1.0
189.09100	10.7
191.10648	1.3
197.09686	0.7
199.07623	0.6
199.11223	2.0
199.13094	0.6
201.09209	3.8
201.12862	0.6
201.16458	0.7
202.09731	1.0
203.10709	2.0
209.11745	1.5
211.11101	0.6
213.09131	3.0
213.12779	1.5
215.10698	1.9
215.14307	5.9
217.12280	1.2
217.14915	0.7
227.10732	1.4
227.12718	1.2
229.12277	1.1
237.16446	0.6
239.14424	0.7
241.12398	1.4
241.15912	1.8
243.13860	0.9
245.15509	0.7
247.08597	0.7
255.13908	0.7
257.15649	2.6
259.17108	0.6
283.17014	4.5
301.07452	1.7
301.18027	100.0
301.21066	3.6
302.18329	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	301.2163
Annotation	Dictyterpenoid B
Peak:m/z	Relative Intensity
53.00940	1.8
53.03930	3.2
55.01857	9.1
55.05512	46.7
56.96566	11.8
57.03438	23.8
57.07055	5.8
59.04984	3.8
61.98018	1.8
64.85792	1.9
65.03902	2.0
65.88844	1.8
66.27274	2.2
66.80668	1.8
67.05196	2.7
67.05507	35.9
69.03411	6.4
69.06744	2.3
69.07067	31.0
69.44395	12.5
69.44812	4.4
71.04602	1.8
71.04980	6.7
73.02892	2.5
75.04427	2.2
75.12814	1.8
79.05495	32.5
81.03413	6.1
81.06607	2.8
81.07056	34.4
83.04999	12.5
83.08619	10.5
85.02906	12.5
85.06506	3.9
87.04469	2.6
91.05487	21.2
93.07045	33.0
95.04980	9.8
95.08610	32.7
97.02858	4.2
97.06526	20.0
97.10177	20.6
98.97569	2.5
103.03922	7.1
105.07034	24.2
107.04949	4.7
107.08583	26.5
109.02872	2.6
109.06486	5.8
109.10151	21.3
110.10461	2.1
111.04440	4.6
111.08051	4.7
111.20616	2.1
115.05466	3.8
116.98558	3.6
117.07012	12.5
119.08592	22.9
121.06480	6.6
121.10133	19.3
123.08054	7.8
123.11678	3.3
125.09631	22.0
128.06200	5.4
129.05490	2.4
129.06982	9.9
131.04881	4.4
131.08572	28.0
133.06494	3.3
133.10138	22.0
134.99640	2.9
135.08037	4.0
135.11684	12.5
137.09601	6.3
138.09152	2.3
139.11176	5.1
141.06934	7.3
141.09044	2.7
142.07768	8.6
143.07442	2.6
143.08559	23.8
143.10562	2.9
144.09311	3.3
145.06482	4.8
145.10138	31.7
147.08000	6.1
147.11716	10.6
149.05963	8.5
149.09586	6.3
151.07539	2.5
151.11191	2.9
153.12752	2.9
154.07703	5.5
155.08556	18.3
156.09294	7.8
157.08723	3.5
157.10118	25.1
158.10985	2.5
159.08060	7.1
159.11707	16.7
161.05994	3.9
161.09581	6.1
161.10840	2.0
161.13213	4.7
163.03870	3.5
163.11177	10.7
165.05487	3.9
165.06950	5.3
166.07726	2.9
167.08582	12.8
168.09302	9.1
169.10135	22.8
170.10860	2.8
171.11690	18.3
173.09557	6.9
173.11884	3.3
173.13234	13.6
175.11226	5.5
175.14737	2.4
179.08505	6.1
180.09311	4.7
181.10080	19.9
181.12309	2.6
182.10893	5.0
183.11708	21.6
185.09618	2.6
185.13283	17.5
187.03831	2.7
187.14778	5.6
189.05455	4.6
189.11217	3.2
189.12772	6.0
191.10759	3.8
193.10101	4.0
194.10907	5.6
195.11726	26.8
196.12427	3.5
197.13274	52.6
198.13806	2.9
199.11150	4.2
199.13171	3.7
199.14813	8.1
201.12688	4.0
201.16307	2.5
203.10599	4.1
205.12218	2.7
207.11644	6.0
208.12447	3.4
209.11563	2.9
209.13338	19.5
210.13937	2.6
211.14815	27.4
212.15189	2.9
213.12700	6.4
213.16394	4.9
215.14209	6.7
217.12234	4.4
217.15862	2.8
221.13188	7.7
222.14021	4.7
223.14828	27.7
225.16374	8.5
226.17137	8.0
227.12602	4.4
227.14517	4.8
227.17932	11.6
229.07448	3.4
229.14043	2.5
235.14799	3.8
236.15550	4.7
237.16412	4.1
239.17928	8.4
241.15845	6.0
241.19542	4.2
247.08456	4.4
250.16988	5.0
255.21007	7.7
257.11551	2.5
257.14038	2.9
259.16788	2.3
265.19531	65.4
283.20572	81.6
284.20880	2.9
301.06271	2.7
301.10925	2.8
301.13785	5.3
301.16660	15.3
301.21552	100.0
302.21881	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	301.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
55.05514	5.2
56.96561	1.2
57.03419	1.0
57.07077	10.3
58.06569	1.0
59.04964	1.3
60.27115	0.9
63.14329	0.9
67.05502	8.6
69.03410	2.3
69.07068	4.6
69.90266	5.4
70.06593	12.1
71.04985	2.4
71.08622	3.6
72.96001	0.8
79.05499	5.2
79.05867	0.8
79.78084	0.8
81.07054	10.6
83.04944	1.1
83.08616	1.8
85.02905	1.2
85.06550	1.2
88.07626	17.5
91.05477	8.4
93.07052	10.1
95.04964	4.6
95.08607	10.1
97.06528	2.7
102.09155	4.8
103.05415	0.9
105.07029	15.5
106.08680	8.5
107.04990	1.4
107.08592	11.9
109.06520	9.8
109.10156	7.9
111.08065	1.9
116.98604	1.5
117.07021	4.6
119.08572	17.0
121.05701	0.9
121.06503	4.7
121.10146	9.1
123.08072	1.3
123.11729	1.3
125.09612	1.7
128.06279	1.1
129.06958	2.1
130.07799	1.2
131.08562	16.2
133.10126	12.7
135.08049	6.5
135.11659	3.6
137.09624	1.3
142.07800	1.5
143.08556	8.0
144.09358	2.5
145.09003	0.6
145.10097	16.9
146.07233	2.8
147.08047	1.9
147.11670	4.6
149.09676	1.2
149.13278	2.8
153.06908	1.0
156.09331	1.3
157.10092	5.8
158.10889	4.1
159.08073	3.3
159.11711	4.9
161.09621	20.1
161.13268	1.3
163.11168	1.7
165.07007	0.9
169.10152	1.8
171.08144	1.4
171.11630	4.7
173.09657	2.0
173.13252	29.2
174.13454	1.0
175.14827	3.6
179.08504	1.5
180.09302	1.1
181.10143	1.5
183.11703	2.0
185.13249	3.1
187.14864	2.6
189.12720	2.3
191.14294	8.7
195.11623	1.5
197.13162	1.9
199.14838	3.4
201.12759	2.4
201.16306	2.1
209.13290	4.2
217.15968	1.0
218.67490	0.9
223.14824	2.1
225.16417	1.8
227.14252	2.9
229.07506	1.5
240.09029	1.1
247.08493	1.1
265.19556	2.8
269.12924	1.5
270.52780	0.9
283.20602	5.8
284.29349	6.3
301.16501	1.2
301.21597	12.8
302.30524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.01865	2.3
55.05511	12.2
56.96560	2.1
57.03428	3.1
57.07081	9.1
58.06599	1.0
59.05007	1.3
61.02916	1.0
61.62534	0.9
62.17680	1.0
67.05505	12.2
69.03420	2.4
69.07069	8.2
69.96000	2.5
69.96418	3.2
70.06595	11.2
71.04987	2.6
71.08624	3.8
73.01157	0.9
79.05489	8.9
80.75806	0.8
81.03374	1.4
81.07056	12.1
83.04979	2.7
83.08610	4.0
85.02902	3.3
85.06545	2.2
85.10186	1.3
86.06082	1.5
88.07636	13.6
91.05487	11.8
93.07040	11.3
95.04992	5.8
95.08606	10.4
97.02914	1.0
97.06538	7.5
97.10169	5.7
98.97587	1.3
100.07600	1.7
102.09168	4.1
105.03359	1.4
105.07026	14.6
106.08662	6.8
107.04959	2.0
107.08585	14.8
109.06518	10.8
109.10166	12.3
111.08070	2.0
116.30346	0.9
116.98602	2.2
117.07006	5.1
119.08576	16.9
121.06512	3.5
121.10152	8.9
123.08075	2.1
123.11694	1.7
125.09632	4.3
128.06210	1.6
129.06984	2.7
130.07837	1.5
131.04926	4.2
131.08554	17.3
133.10121	13.1
134.99664	2.4
135.08064	8.8
135.11690	4.6
137.09596	1.9
142.07773	1.8
143.08534	7.0
144.09300	1.4
145.06517	3.3
145.10124	16.4
146.07213	1.3
147.08066	4.6
147.11710	5.7
149.05978	23.7
149.09633	2.5
149.13228	2.8
155.08601	2.0
156.09329	1.9
157.10117	6.1
158.10880	3.4
159.08064	4.9
159.11682	4.3
161.09621	19.1
163.11150	3.1
169.10054	1.5
171.07994	1.1
171.11688	3.4
173.09651	2.7
173.11877	1.4
173.13249	29.9
175.11125	1.8
175.14790	5.2
177.09128	1.5
181.10062	1.5
181.12267	1.3
183.11647	1.4
185.09741	1.6
185.13242	3.1
187.11180	2.1
187.14841	2.0
189.12715	1.9
191.14288	8.8
195.11694	2.7
197.13284	1.7
199.11180	1.6
199.13156	1.5
199.14882	3.3
201.12793	2.4
202.75719	1.0
203.10669	6.4
209.13307	5.2
209.15182	0.9
213.12587	1.1
213.16371	1.2
223.14764	3.0
225.16324	1.4
227.14380	2.1
229.07446	2.9
241.16089	1.7
247.08463	3.0
252.09212	1.1
265.19733	2.1
283.17105	1.7
283.20563	5.2
283.28281	4.6
284.29523	6.8
295.96021	1.2
301.17929	48.3
301.21609	17.4
301.25186	2.1
301.29221	3.7
301.32758	1.8
302.18332	3.8
302.30524	100.0
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	PISIFERAL
Peak:m/z	Relative Intensity
53.03929	0.3
53.63818	0.2
54.15898	0.2
55.05503	1.6
56.96555	0.7
57.03428	0.3
57.07059	0.7
67.05510	2.2
69.03428	0.6
69.07083	1.3
69.85341	0.2
71.49638	0.4
71.50024	0.4
74.99638	0.3
79.05490	2.0
81.03421	0.5
81.07041	1.6
83.08622	0.9
87.04502	0.3
88.07600	0.3
91.05484	2.5
93.07038	2.4
95.04980	0.6
95.08608	1.9
97.06531	0.8
97.10196	0.5
98.97602	0.3
103.05480	0.5
105.07040	4.8
105.08854	0.3
107.04946	0.6
107.08592	1.9
109.10159	3.0
115.05418	0.4
116.98616	0.4
117.07011	0.6
119.04942	0.8
119.08575	1.5
121.06509	0.8
121.10149	1.0
123.11695	0.8
128.06215	1.0
129.07001	0.8
131.04915	0.3
131.08600	1.0
132.88443	0.3
133.06512	3.3
133.10117	2.5
134.99602	0.4
135.08047	3.6
135.11716	0.7
143.08585	2.6
145.06496	1.1
145.09047	0.3
145.10106	1.0
146.07323	0.5
147.08046	7.8
147.11719	0.5
148.08374	0.3
149.09538	0.3
151.07555	0.9
155.08528	0.3
157.10136	0.8
157.42819	0.3
158.07268	0.5
159.08076	1.4
159.11717	0.7
161.09616	72.7
162.09958	1.5
163.11195	1.8
171.07999	0.6
171.11923	0.3
172.93221	0.2
173.09573	1.8
173.13223	0.6
174.10338	0.6
175.11182	1.8
183.07878	0.2
185.09608	1.1
187.11205	2.8
195.11829	0.3
198.10420	0.3
199.11255	1.5
201.12759	2.4
213.12776	1.2
213.16495	0.3
215.07063	0.3
223.14645	0.3
225.12782	2.1
227.14301	0.5
229.07431	0.4
241.15697	0.6
241.19620	0.3
245.13483	0.3
247.08499	0.3
253.15849	2.8
257.65634	0.3
265.19690	0.3
268.18094	2.3
283.20526	0.6
286.19135	0.6
290.37177	0.3
296.97659	0.4
299.37155	0.3
301.21603	100.0
302.21915	3.8
302.30267	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	301.2163
Annotation	CHEBI:68875
Peak:m/z	Relative Intensity
55.01868	0.4
55.05516	3.4
56.96558	0.5
57.03423	0.5
57.07068	0.7
57.22209	0.3
58.15350	0.4
62.19766	0.4
67.05511	1.9
69.07066	4.2
69.88767	0.3
71.01379	0.3
71.11161	0.6
72.08160	0.3
73.43866	0.4
79.05483	1.2
81.03413	0.4
81.07071	2.2
83.04979	0.4
83.08623	3.2
85.06525	0.4
91.05492	0.6
93.07027	1.1
95.08611	1.7
97.06508	0.6
97.10177	0.4
105.07034	1.1
107.04928	0.7
107.08594	0.7
109.10146	1.3
116.98609	0.5
117.07046	0.8
119.08591	1.0
121.06525	0.6
121.10149	0.6
123.11704	5.0
131.08586	0.9
133.06474	0.8
133.10100	0.8
134.99675	0.4
135.11696	0.7
138.25696	0.3
145.06462	1.1
145.10094	0.5
147.08051	2.8
147.11697	0.7
149.05981	0.7
149.09607	0.5
157.06496	1.5
157.10147	0.7
159.08049	1.6
159.11748	0.6
161.06018	0.6
161.09616	1.3
163.07539	8.4
163.08842	0.7
163.11124	0.7
167.08574	0.6
171.08076	6.1
171.11627	0.4
173.09627	2.1
175.07533	0.7
175.11172	0.8
185.09625	3.2
187.11185	1.0
189.09081	1.1
189.12737	1.2
191.10655	0.8
197.09636	0.4
199.11131	2.0
201.12791	0.6
202.68082	0.4
203.10670	1.1
203.14217	0.5
205.12238	4.3
213.12764	7.6
215.14294	0.8
217.12202	0.5
223.14735	0.4
227.14345	0.9
229.07512	0.6
240.15216	0.4
241.15820	1.5
247.08336	0.7
259.14191	0.5
259.16934	10.0
259.19550	0.8
283.16977	0.4
283.20486	0.7
289.19638	0.4
296.98373	0.4
301.21606	100.0
302.21918	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	301.2162
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
53.08599	0.5
55.05509	2.6
57.03424	1.0
57.07049	0.7
62.23873	0.5
64.96418	0.6
67.05497	2.0
69.03427	2.3
69.07063	2.7
70.63489	1.8
71.08627	0.7
72.33603	0.5
72.41493	0.5
79.05483	2.5
81.07061	5.7
82.07353	0.6
83.04971	1.3
83.08656	0.6
91.05474	1.3
93.07053	1.6
95.08572	2.9
97.06555	1.0
97.10197	0.6
99.08085	2.3
105.07013	2.0
107.04958	4.2
107.08571	1.1
109.10171	0.7
111.08083	1.0
117.07004	0.7
119.08579	1.1
121.06507	2.5
121.10152	7.3
123.11726	0.6
125.09653	0.8
131.08582	1.6
133.06490	10.2
133.10112	0.8
134.07259	0.9
135.11667	0.9
139.11209	5.7
145.10092	0.8
147.08009	5.7
149.09621	100.0
150.09944	1.5
153.12720	0.8
159.08058	8.3
161.09615	13.2
163.11182	6.9
165.12726	1.0
171.07968	0.9
173.09579	1.5
175.11215	2.4
185.09625	2.2
189.09128	0.6
189.12721	5.3
199.11147	0.8
201.12723	4.1
202.13091	1.1
203.10840	0.7
203.14328	9.1
213.12796	1.0
215.14293	0.8
217.15880	1.8
227.14355	1.7
229.07512	1.5
241.15804	3.4
243.17459	4.4
247.08482	1.0
259.17001	5.2
283.20499	3.4
289.67343	0.6
301.16409	0.7
301.18378	1.1
301.21625	15.3
301.28149	0.9
319.62347	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	301.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55673	1.2
52.90080	0.9
53.03949	1.0
55.01875	1.3
55.05509	8.0
55.44165	0.9
56.96552	3.3
57.03420	2.6
57.07076	8.0
67.05505	10.4
69.03399	2.6
69.07068	5.2
69.07378	0.9
70.06601	9.0
71.04980	1.4
71.08633	2.5
71.45560	1.1
73.95821	0.9
76.65282	0.9
79.05498	7.4
81.03413	1.0
81.07053	10.0
83.04991	1.3
83.08600	2.4
85.02905	2.0
85.06502	1.1
85.10166	1.1
86.06090	1.8
88.07621	9.3
91.05479	8.1
93.07040	8.8
95.04966	6.0
95.08606	8.7
97.06532	3.4
97.10134	2.7
100.07575	1.2
102.09184	3.7
103.03929	1.1
105.07021	13.9
106.08686	7.2
107.04925	1.5
107.08564	11.1
109.06525	7.7
109.10159	10.9
111.08073	2.1
115.05436	1.3
116.98605	1.2
117.06999	4.4
119.08582	12.6
121.06484	2.0
121.10142	9.3
123.08052	3.7
123.11727	2.4
125.09618	2.5
128.06227	1.9
129.06976	3.4
131.04897	1.0
131.08568	13.0
133.10146	10.2
134.99670	2.4
135.08075	6.2
135.11656	2.9
137.09622	1.6
141.06998	1.3
142.07770	2.4
143.08557	5.0
145.06410	1.7
145.10126	12.8
146.07245	1.7
147.08032	2.8
147.11668	4.5
149.05986	4.7
149.09575	1.9
149.13306	2.0
155.08549	1.4
155.88670	1.0
156.09351	1.8
157.10123	5.1
158.10887	2.8
159.08057	2.6
159.11691	4.2
161.09612	15.8
161.13216	1.8
163.07561	1.3
163.11197	2.0
169.10161	1.4
171.11678	3.4
173.09550	1.7
173.13268	22.6
175.11214	2.2
175.14821	4.1
179.08539	1.9
181.12245	1.6
182.10936	1.2
183.11690	2.3
184.12381	1.0
185.09648	1.4
185.13197	2.9
187.14835	1.2
188.07214	0.9
189.12715	1.2
191.14339	6.9
194.11014	1.2
195.11696	1.2
197.13263	1.6
199.14803	2.6
201.12683	2.3
201.16420	1.4
203.10649	2.0
203.14223	1.2
209.13258	2.3
209.15102	1.1
213.12770	1.3
217.07576	1.2
223.14761	1.5
227.14439	1.3
229.07535	2.9
247.08498	1.6
265.19510	2.7
283.20480	6.3
283.28287	6.4
284.29532	4.9
301.17841	12.6
301.21606	15.2
301.29291	3.5
301.32629	1.6
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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01859	1.6
55.05507	0.9
55.32183	0.9
56.05038	1.6
56.96563	1.4
57.03422	2.6
60.04512	2.4
61.02916	2.8
65.03906	1.9
67.05508	34.7
68.05023	1.3
68.78098	0.9
69.03438	14.6
69.07072	8.1
70.06592	6.8
71.04976	1.7
71.22501	1.1
71.22836	1.6
72.08144	3.0
73.02913	2.0
74.06046	1.3
79.05488	1.5
81.03426	5.2
81.07055	1.3
82.06566	1.2
84.04477	1.8
84.08134	3.7
85.02910	42.2
86.06090	1.3
86.09707	5.1
91.05485	1.2
93.07045	1.2
94.06577	2.2
95.04971	53.0
95.08591	0.8
96.08131	2.9
97.02898	38.0
97.03530	1.9
97.06523	1.1
98.06043	2.2
98.97557	1.1
99.04459	2.0
100.07613	11.1
101.07114	0.8
103.03946	3.4
103.05447	1.1
105.13349	0.8
109.02892	8.2
109.06499	3.0
110.06075	1.7
110.09679	5.7
112.07605	31.1
113.05994	3.5
116.98701	1.0
120.08110	14.4
121.06501	4.3
122.06013	1.8
122.09544	0.9
123.04475	2.2
124.07564	2.5
126.05519	0.9
127.03920	7.6
129.10272	1.9
136.07597	5.2
137.06064	1.0
138.09145	38.8
140.07069	100.0
145.04926	2.9
147.05531	16.8
154.08594	6.6
156.10223	2.0
163.03938	0.9
170.08095	1.3
178.08627	2.1
182.08133	66.1
203.08083	1.6
206.08128	13.4
218.08173	2.1
233.65707	1.1
236.09230	2.5
248.09166	9.4
267.11563	1.2
284.14120	5.7
302.12289	2.8
302.15207	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	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02563	1.2
53.03952	2.3
55.01859	3.0
55.05503	5.3
55.28571	1.2
56.05019	1.5
57.03432	1.8
61.02912	2.2
63.28968	1.1
65.03938	1.7
67.05515	6.1
69.03423	5.4
69.86290	2.6
69.86700	4.1
70.06581	2.4
72.08158	57.0
79.05519	7.0
80.05010	1.5
81.03434	3.0
81.07047	4.5
82.06583	5.1
84.08122	1.7
85.02911	20.1
86.09718	13.0
91.05501	9.2
93.07056	7.7
95.04971	9.3
95.06097	1.6
95.08582	2.5
96.08139	2.8
97.02902	13.8
98.20760	1.5
98.97581	2.1
100.07623	24.1
103.05468	3.0
108.08102	3.3
109.02887	2.7
109.06489	2.4
110.06068	3.2
110.09702	17.7
112.07724	1.4
118.06532	8.1
120.08112	48.6
121.06509	34.4
122.06023	2.5
125.06004	2.1
126.05528	2.4
126.09152	1.8
127.03926	4.0
128.07062	2.0
129.04498	4.3
130.02905	2.5
130.06516	2.6
132.10193	3.7
136.07532	3.6
138.09145	100.0
139.07510	6.9
140.07059	12.8
143.11803	29.3
145.04930	2.5
147.05531	17.6
152.07076	3.2
154.08621	2.4
156.10208	1.5
157.13329	3.1
159.05513	5.9
164.07092	5.2
165.05576	1.4
171.11282	11.9
177.06602	3.8
178.08644	5.3
182.08144	18.8
183.72897	1.3
187.05009	5.6
203.08076	3.6
203.13907	3.6
206.08131	8.7
248.09216	2.7
256.09525	1.7
266.12936	26.1
284.13977	16.2
302.14999	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	302.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
54.03469	1.4
55.01869	1.4
56.13521	0.7
56.22464	0.7
56.96568	5.1
57.03434	3.9
58.77488	0.7
61.02934	5.7
69.03428	14.3
70.06590	1.4
70.86076	1.8
70.86417	0.8
71.04612	0.7
71.05000	3.0
73.02582	0.7
73.02909	4.8
81.03424	3.4
81.04541	46.9
84.08154	2.0
85.02905	21.7
85.06562	1.1
86.03242	1.3
86.09706	7.6
87.04478	4.0
91.02377	0.8
91.03960	2.1
94.06589	1.9
95.06081	1.1
97.02891	10.7
98.03234	1.4
98.97581	6.8
99.04469	2.7
100.07621	2.0
100.99159	1.2
106.51024	0.7
109.02878	3.5
110.06059	0.9
110.07153	3.7
110.90273	0.7
110.97569	1.1
111.74638	0.8
112.99116	1.8
114.30305	0.8
115.03883	0.8
116.98612	4.4
119.01787	0.9
122.06051	15.9
122.07166	25.9
124.07571	1.5
127.03876	3.5
128.98573	1.4
130.06552	0.9
131.00157	1.8
131.01895	1.4
134.99757	1.2
135.89397	0.8
136.87247	0.7
139.05019	8.3
140.02435	1.5
140.03403	4.7
140.05441	7.4
140.07091	30.6
140.08208	100.0
141.03775	3.9
141.08536	1.5
143.00299	0.9
145.01726	1.2
145.04999	3.1
149.02945	0.9
154.03920	1.3
158.99757	1.2
161.01224	0.9
161.05643	1.2
163.02843	3.7
163.04427	7.5
163.54630	1.1
165.00768	0.8
169.04509	1.2
170.05066	4.2
173.01279	1.4
177.00800	1.7
177.04294	2.9
178.04915	4.3
179.11775	1.5
181.03922	1.9
183.04155	1.5
184.04947	1.8
189.04361	1.0
192.04683	3.2
193.05481	2.3
203.08156	5.6
205.03758	1.4
212.04469	1.0
217.19252	1.0
219.01845	2.4
220.57866	1.1
221.06786	5.3
221.08849	2.3
222.07697	1.8
237.02864	4.5
243.37309	0.8
248.09221	0.9
265.07660	1.2
270.14554	1.3
284.11438	1.1
294.30783	0.8
295.07132	2.5
301.60904	0.9
302.13489	97.8
302.28189	1.6
303.10501	5.2
303.13617	1.4
305.10843	2.0
306.10913	0.9
307.06973	3.8
321.10443	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	302.1499
Annotation	Isofebrifugine
Peak:m/z	Relative Intensity
55.05477	0.4
60.77010	0.4
67.04231	1.0
69.86327	2.1
69.86696	0.8
71.04981	0.7
72.04510	0.4
74.57909	0.4
80.05034	0.7
82.06585	5.5
88.36572	0.4
91.05469	0.7
93.07058	0.5
95.04974	4.2
95.08636	0.6
97.02882	0.4
98.20848	0.5
100.07619	100.0
101.07961	0.5
110.06058	0.6
110.09691	6.4
120.08108	37.5
121.06512	24.4
130.02762	0.4
138.09143	53.3
139.07607	1.9
139.09503	0.7
147.05536	17.7
156.10199	1.2
159.05548	0.9
170.58786	0.4
187.05072	0.9
203.08153	17.3
228.64467	0.4
232.09183	0.5
266.12888	0.7
284.13928	5.8
302.14996	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	302.1498
Annotation	Febrifugine
Peak:m/z	Relative Intensity
55.01867	1.4
65.17670	0.5
65.67801	0.5
67.05509	0.8
70.07362	1.7
70.07769	1.1
77.03918	0.5
80.05038	0.7
82.06572	4.4
85.62446	0.5
86.09715	0.7
91.05472	1.5
93.07050	1.3
94.14850	0.5
95.04973	12.4
95.08581	0.6
96.08133	0.9
97.02834	0.6
100.07619	47.6
109.06540	0.6
110.06036	1.6
110.09684	15.2
120.08121	6.3
121.06508	72.0
122.06851	1.7
126.41401	0.5
129.04512	3.7
130.02908	0.9
131.40222	0.5
132.20288	0.5
138.09142	100.0
139.07491	1.2
139.09505	1.7
147.05537	19.9
157.58141	0.5
159.05547	6.9
177.06618	3.6
187.05020	6.0
203.08125	3.1
252.37433	0.5
266.12881	0.7
284.13922	12.8
302.14990	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	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.0
57.96165	0.7
69.58588	3.3
73.71367	0.6
76.68008	0.5
94.24486	0.5
98.97578	3.2
101.00916	0.9
116.98637	3.3
117.98911	0.9
119.01913	7.1
120.01995	0.6
134.99669	2.3
137.02963	3.3
153.00761	1.0
158.99863	0.8
177.00943	15.4
178.01039	2.9
179.00706	1.9
195.01869	0.6
201.00887	0.8
217.03995	3.1
218.03735	2.3
219.02014	26.3
220.02069	5.9
221.01761	6.3
222.01778	1.2
223.01654	0.5
225.00876	1.8
226.01056	0.7
236.99573	0.8
243.01942	5.4
244.02126	1.9
260.04547	0.6
261.03055	100.0
262.03177	30.6
263.02814	4.1
265.61276	0.5
277.01221	0.6
278.01129	0.7
279.00232	2.9
280.00916	0.6
282.99921	0.9
284.04672	1.9
284.99634	0.7
285.04587	1.6
301.00934	1.7
302.97797	0.7
303.00870	3.3
303.05475	8.8
320.98178	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96923	0.2
55.01865	0.3
65.03924	0.7
65.99297	0.2
67.05511	0.6
68.99797	2.2
69.03404	0.3
71.48870	0.4
81.03404	0.8
91.05466	0.3
93.03390	0.6
93.07066	0.3
95.04954	0.9
98.97575	0.9
105.03455	0.3
105.06988	0.3
107.04935	0.4
107.08545	0.2
109.02861	0.9
111.00791	2.1
115.05455	0.3
116.98613	0.6
117.06982	0.5
121.02864	2.3
121.06437	0.3
122.06030	0.3
123.04406	0.7
123.08064	0.3
127.03914	0.7
131.04936	0.4
135.04466	0.4
135.08058	0.3
137.01266	0.4
137.02338	8.5
137.03378	0.3
137.09560	0.3
145.06485	0.6
147.04417	0.3
147.05550	0.5
149.02325	0.9
153.01828	11.3
155.04884	1.2
159.04385	0.2
161.05948	0.7
161.36447	0.2
163.03897	1.5
165.01834	3.8
166.02591	0.7
173.05963	1.5
177.01880	0.3
179.03413	0.3
183.02882	1.7
183.04422	1.2
187.03880	0.8
191.03439	0.4
195.02971	0.5
201.05486	4.4
205.04984	0.5
211.03894	0.3
213.05612	0.3
219.06519	0.6
228.04271	0.5
229.04970	9.6
233.04552	0.3
239.03510	0.4
247.06104	1.3
257.04425	5.0
267.95294	0.3
274.04877	1.5
275.05478	0.5
285.03882	2.2
303.04980	100.0
303.14093	8.3
304.05280	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	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.76034	0.3
65.03941	0.7
66.60072	0.3
66.78468	0.2
68.99789	1.7
71.04336	0.5
81.03425	0.6
90.09660	0.2
93.03433	0.5
95.04977	0.6
109.02866	0.8
111.00809	1.7
117.06947	0.3
121.02873	2.1
123.04434	0.6
127.03918	0.4
131.04900	0.4
133.02783	0.3
135.04408	0.6
137.02344	7.3
137.03374	0.3
145.02898	0.4
145.06497	0.5
149.02353	0.7
152.21596	0.3
153.01831	8.5
155.04945	1.0
160.51083	0.2
161.05936	0.7
163.03903	1.4
165.01852	3.7
173.06024	1.2
179.03349	0.4
183.02896	1.8
183.04449	0.8
187.03923	1.0
195.02933	0.4
201.05475	4.2
205.04930	0.4
206.02023	0.3
211.03912	0.5
213.05467	0.3
219.06552	0.7
228.04155	0.5
229.04971	8.3
229.75667	0.3
232.03906	0.3
245.04547	0.3
247.06068	1.1
257.04480	5.0
274.04730	1.5
275.05386	0.4
285.03989	2.4
303.04996	100.0
304.05359	1.0
320.65692	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	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57042	4.2
56.96569	7.7
58.68445	3.5
70.12230	16.6
72.76807	4.3
85.02908	4.8
86.09676	5.8
93.04535	4.5
98.97588	64.5
110.07192	25.3
111.34955	3.9
116.98624	33.9
134.99680	9.5
147.76839	3.9
158.99663	31.1
177.00720	39.2
219.01730	11.0
299.43063	4.8
303.10706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01550	4.5
55.87411	5.4
56.96555	6.3
61.02924	6.4
69.03390	9.2
70.10691	17.8
70.11098	9.4
77.38670	4.5
79.24867	5.1
85.02892	18.0
98.97579	14.6
122.88758	5.4
126.28784	5.6
127.03943	5.8
127.15346	5.0
140.88092	6.3
141.05214	7.8
152.32629	5.2
200.04347	8.1
233.45120	5.1
303.07581	10.4
303.10843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01860	2.6
56.96307	1.2
56.96565	12.3
57.03445	7.0
61.02926	18.0
69.03431	13.2
70.06593	1.3
70.33088	4.0
71.04987	1.6
73.02921	9.6
81.03416	3.6
81.04543	1.3
83.00778	1.2
84.96018	1.8
85.02906	23.2
86.03239	1.1
86.09694	2.0
86.39988	0.8
86.94451	0.8
87.04465	1.3
90.26241	1.0
91.03948	3.2
97.02899	12.2
98.20860	1.2
98.97588	22.3
99.04455	3.0
101.00825	1.2
101.02350	1.2
103.02468	1.7
105.03661	1.2
107.04850	0.9
109.02872	3.1
110.01270	3.4
110.97567	4.5
111.07587	0.8
112.99133	0.9
113.01725	0.9
115.03969	1.0
116.01265	1.2
116.98618	10.6
119.01833	9.3
125.01813	1.3
127.03927	9.3
128.02321	10.5
128.98619	6.2
131.01895	2.1
133.01559	0.8
133.03403	1.1
134.99655	3.3
137.01813	1.8
137.02855	4.9
140.02298	2.2
140.08174	1.7
141.01207	0.8
141.03087	1.3
141.05203	14.0
141.08405	1.0
142.96544	1.6
143.00175	2.4
144.05536	1.0
145.03394	1.1
145.04984	3.2
146.02319	1.7
146.99667	6.1
148.01987	1.6
149.01295	1.4
149.02890	1.5
152.02299	1.2
153.01219	1.5
155.02818	2.5
158.99643	5.7
160.97554	1.6
161.01160	2.1
161.02905	2.3
162.01791	2.7
163.04448	1.3
165.00723	1.5
168.01828	1.5
169.02560	1.5
169.23593	0.9
170.03351	1.4
170.99675	2.9
171.04506	4.8
173.02907	1.1
174.01846	1.2
174.99181	3.9
175.02669	0.9
176.01732	1.1
177.00742	6.4
177.02338	2.7
177.06024	1.5
178.03149	2.6
182.03404	3.2
183.02321	4.1
184.04988	1.0
184.97644	1.8
185.04260	8.2
186.99220	1.5
188.97101	3.6
189.00694	5.2
189.04370	1.7
190.98654	1.1
191.02467	1.0
191.03947	6.7
192.02879	5.2
193.00218	4.8
199.04028	2.7
200.04425	8.6
201.00845	2.2
201.06067	2.7
202.98724	2.5
203.05319	8.9
204.02846	8.3
204.04532	1.4
205.00233	1.9
205.03946	1.0
206.98109	1.5
207.01851	2.5
207.05290	3.5
209.04976	5.6
213.03372	20.0
213.05318	1.0
213.53618	2.3
217.00166	1.0
219.01692	5.2
221.04988	1.7
222.03874	9.7
222.05682	0.9
222.54082	1.7
230.98192	3.7
231.01694	1.2
232.99573	1.1
235.01169	1.2
237.02806	6.0
244.99687	1.4
247.01195	1.5
248.99240	2.0
249.02820	2.3
255.03934	5.1
261.02737	0.9
263.00745	4.0
264.04883	4.2
273.05405	1.3
275.00842	2.9
279.03824	1.5
281.01773	2.0
281.05045	1.0
294.06168	4.2
303.10516	100.0
303.13501	4.3
304.10861	1.2
305.01764	1.8
321.10287	2.0
323.02826	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	303.105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01860	2.6
56.96307	1.2
56.96565	12.3
57.03445	7.0
61.02926	18.0
69.03431	13.2
70.06593	1.3
70.33088	4.0
71.04987	1.6
73.02921	9.6
81.03416	3.6
81.04543	1.3
83.00778	1.2
84.96018	1.8
85.02906	23.2
86.03239	1.1
86.09694	2.0
86.39988	0.8
86.94451	0.8
87.04465	1.3
90.26241	1.0
91.03948	3.2
97.02899	12.2
98.20860	1.2
98.97588	22.3
99.04455	3.0
101.00825	1.2
101.02350	1.2
103.02468	1.7
105.03661	1.2
107.04850	0.9
109.02872	3.1
110.01270	3.4
110.97567	4.5
111.07587	0.8
112.99133	0.9
113.01725	0.9
115.03969	1.0
116.01265	1.2
116.98618	10.6
119.01833	9.3
125.01813	1.3
127.03927	9.3
128.02321	10.5
128.98619	6.2
131.01895	2.1
133.01559	0.8
133.03403	1.1
134.99655	3.3
137.01813	1.8
137.02855	4.9
140.02298	2.2
140.08174	1.7
141.01207	0.8
141.03087	1.3
141.05203	14.0
141.08405	1.0
142.96544	1.6
143.00175	2.4
144.05536	1.0
145.03394	1.1
145.04984	3.2
146.02319	1.7
146.99667	6.1
148.01987	1.6
149.01295	1.4
149.02890	1.5
152.02299	1.2
153.01219	1.5
155.02818	2.5
158.99643	5.7
160.97554	1.6
161.01160	2.1
161.02905	2.3
162.01791	2.7
163.04448	1.3
165.00723	1.5
168.01828	1.5
169.02560	1.5
169.23593	0.9
170.03351	1.4
170.99675	2.9
171.04506	4.8
173.02907	1.1
174.01846	1.2
174.99181	3.9
175.02669	0.9
176.01732	1.1
177.00742	6.4
177.02338	2.7
177.06024	1.5
178.03149	2.6
182.03404	3.2
183.02321	4.1
184.04988	1.0
184.97644	1.8
185.04260	8.2
186.99220	1.5
188.97101	3.6
189.00694	5.2
189.04370	1.7
190.98654	1.1
191.02467	1.0
191.03947	6.7
192.02879	5.2
193.00218	4.8
199.04028	2.7
200.04425	8.6
201.00845	2.2
201.06067	2.7
202.98724	2.5
203.05319	8.9
204.02846	8.3
204.04532	1.4
205.00233	1.9
205.03946	1.0
206.98109	1.5
207.01851	2.5
207.05290	3.5
209.04976	5.6
213.03372	20.0
213.05318	1.0
213.53618	2.3
217.00166	1.0
219.01692	5.2
221.04988	1.7
222.03874	9.7
222.05682	0.9
222.54082	1.7
230.98192	3.7
231.01694	1.2
232.99573	1.1
235.01169	1.2
237.02806	6.0
244.99687	1.4
247.01195	1.5
248.99240	2.0
249.02820	2.3
255.03934	5.1
261.02737	0.9
263.00745	4.0
264.04883	4.2
273.05405	1.3
275.00842	2.9
279.03824	1.5
281.01773	2.0
281.05045	1.0
294.06168	4.2
303.10516	100.0
303.13501	4.3
304.10861	1.2
305.01764	1.8
321.10287	2.0
323.02826	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	303.1954
Annotation	Caribenol A
Peak:m/z	Relative Intensity
51.50678	0.3
55.01872	0.3
55.05512	5.1
56.96552	0.9
57.03412	0.5
57.07086	1.5
66.23222	0.3
67.05501	2.3
69.07066	4.2
69.53709	2.1
71.08630	0.3
73.45949	0.3
74.06045	0.3
79.05505	1.8
81.07056	3.9
83.04946	0.4
83.08624	3.0
84.02833	0.3
84.08139	0.3
85.06544	0.6
88.07635	0.4
91.05471	2.1
93.07049	2.3
95.04977	0.8
95.08601	3.1
97.06517	0.7
97.10169	0.9
98.06052	0.9
98.21507	0.7
105.07034	2.7
107.04935	1.7
107.08588	2.4
109.10156	1.9
117.07009	0.7
119.08565	2.9
121.06514	0.6
121.10135	1.6
123.08038	0.6
123.11701	3.4
125.09715	0.3
128.06210	0.5
129.07024	0.4
131.04926	7.6
131.08542	1.6
131.44855	0.3
132.81519	0.3
133.06487	1.2
133.10173	1.5
135.08063	0.6
135.11700	0.6
137.02390	0.3
140.49153	0.3
141.06961	0.3
143.08531	0.7
145.06490	6.0
145.10155	1.6
146.07104	0.4
147.08051	4.4
147.11697	2.1
149.05980	38.2
149.13213	0.6
150.06306	0.8
153.01797	0.5
155.08580	0.6
156.09392	0.4
157.06355	0.3
157.10129	0.7
159.08080	2.3
159.11684	0.9
161.09627	2.4
161.13277	0.6
163.07547	5.8
169.10023	0.7
171.08109	0.4
171.11635	0.5
173.09595	1.6
173.13269	1.0
175.07532	0.9
175.11171	0.5
175.14807	0.6
177.09105	0.6
181.10089	0.4
183.08208	0.4
183.11755	0.6
185.09630	0.7
185.13287	0.6
187.07539	0.8
187.11177	1.3
187.14801	0.6
189.09097	5.0
191.14178	0.3
197.13269	1.5
199.14844	0.6
201.09157	1.5
203.10622	3.1
211.14813	0.7
215.10661	1.8
217.12218	1.2
225.70044	0.3
229.12312	0.5
255.13786	0.3
267.21097	2.4
285.15433	0.3
285.18488	1.7
285.22086	1.5
303.05173	2.0
303.19537	100.0
304.19870	4.9
304.22888	0.6
304.26212	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	303.1954
Annotation	Nocarasin C
Peak:m/z	Relative Intensity
51.52095	2.2
52.99597	2.6
55.05494	4.5
56.96555	6.5
57.07058	4.4
59.04985	4.8
65.14427	2.3
66.59796	2.8
67.05489	7.2
69.03411	3.5
69.07071	12.4
71.49591	3.1
79.05483	7.5
79.97263	2.2
81.07066	12.4
83.04930	2.7
83.08617	3.0
85.42300	2.5
86.09686	2.9
91.05470	11.2
93.07027	9.3
95.04969	8.1
95.08606	17.5
97.06525	9.3
105.07027	14.6
107.08596	8.8
109.06530	3.4
109.10135	6.8
117.07030	5.1
119.08559	11.2
121.10101	7.6
123.08067	3.9
131.04907	6.5
131.08566	11.7
133.06487	5.8
133.10107	8.4
135.08107	3.5
135.11697	4.9
137.02428	2.4
140.99144	3.6
141.06979	4.8
143.08569	4.9
145.06494	32.6
145.10121	5.8
146.99536	2.5
147.08041	11.5
147.11658	6.9
149.05951	5.3
149.09627	3.5
151.07549	4.0
153.01796	2.8
155.08571	5.0
158.07222	3.1
159.08055	100.0
159.11679	4.9
160.38596	2.8
161.09622	15.3
161.13242	5.7
162.55873	2.7
165.05440	9.3
165.12662	2.5
171.11787	3.1
173.09622	11.4
175.11163	9.4
177.12776	3.6
183.11703	4.1
185.09422	3.4
187.11153	9.5
187.14755	6.0
189.09082	3.7
189.12787	15.2
191.07008	18.3
195.52029	2.6
201.09235	11.8
201.12758	41.2
203.14302	8.8
205.08504	3.3
207.10243	3.8
213.12651	3.7
215.14236	6.5
216.11510	3.7
219.10139	13.9
229.04900	2.5
233.11742	30.7
243.13777	5.5
243.17407	17.1
247.13301	8.4
259.13284	2.5
261.14917	18.6
267.21042	4.0
275.06760	2.8
285.14868	3.3
285.18555	5.5
285.22049	7.8
299.11829	4.8
303.05167	28.5
303.16211	4.4
303.19528	17.3
303.23181	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	303.2315
Annotation	4-Hydroxyretinol
Peak:m/z	Relative Intensity
53.03944	5.1
55.05522	25.2
56.96560	9.8
57.07062	7.9
61.93334	3.0
65.03928	7.4
67.05497	31.4
69.03412	4.9
69.07066	32.1
71.49696	5.1
79.05491	30.1
81.07057	53.3
83.04967	7.1
83.08611	12.3
85.02908	3.8
85.06544	6.7
91.05482	56.0
93.07040	65.4
95.04967	7.0
95.08609	50.4
97.06525	18.9
97.10165	7.3
105.07033	69.7
107.08595	65.3
109.06512	7.3
109.10146	37.5
111.08058	6.6
117.07037	23.1
119.08586	71.7
119.09406	7.0
121.06461	6.4
121.10149	41.3
123.08062	12.7
123.11691	18.5
125.09608	7.8
128.06236	3.4
129.06999	14.0
131.08563	34.7
133.06548	4.8
133.10135	41.7
135.08061	6.8
135.11690	17.6
137.09601	3.4
137.13245	3.2
141.07005	9.7
142.07750	8.4
143.08554	23.2
145.10143	40.8
146.99680	3.2
147.07988	3.5
147.11678	84.6
149.05937	4.0
149.09647	6.8
149.13206	22.9
151.07584	4.4
151.11142	7.1
153.01874	5.2
154.07748	5.6
155.08582	26.4
155.45180	3.7
156.09317	5.9
157.10118	30.1
159.11697	51.5
161.05951	6.1
161.09608	5.5
161.13260	24.3
163.11230	5.7
163.14894	4.9
165.12808	3.4
166.90723	3.3
167.08588	6.0
169.10110	28.3
170.10910	7.0
171.11703	26.9
173.09520	5.2
173.13287	29.6
175.11203	4.6
175.14796	12.2
177.12637	6.4
179.14288	3.5
181.10091	3.5
182.10902	5.3
183.11635	19.7
185.13278	24.3
187.11177	7.1
187.14824	33.2
189.09082	6.3
189.12796	3.5
191.14291	6.0
195.11749	5.1
197.13268	45.0
199.14790	19.3
201.12804	4.8
201.16367	7.4
205.12383	4.0
205.15823	4.2
209.13271	4.0
211.14812	25.2
212.15607	3.8
213.16394	18.3
215.14284	7.2
215.17984	4.2
225.16313	18.3
227.17918	6.6
229.15831	10.1
229.19556	5.3
239.17905	7.2
241.19481	8.2
243.17340	8.2
243.21164	5.2
247.16675	4.5
255.20993	5.1
257.19156	3.7
257.22623	7.4
259.20840	3.7
262.97778	3.5
267.21054	97.9
268.21359	4.1
281.10660	10.6
285.22147	80.5
299.11636	6.3
303.04977	43.1
303.15958	11.0
303.19492	13.0
303.23117	100.0
303.26480	4.0
304.05304	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	303.2319
Annotation	Triptobenzene L
Peak:m/z	Relative Intensity
53.03940	4.1
55.05510	18.0
57.03421	3.3
57.07072	4.2
67.05508	16.0
69.03437	3.0
69.07064	23.1
70.07330	9.6
79.05489	18.4
81.07059	28.2
83.04964	2.9
83.08606	5.5
91.05477	23.8
93.06503	3.3
93.07045	46.6
94.38302	1.8
95.04980	5.5
95.08606	34.5
97.06526	8.9
97.10122	4.1
99.08085	2.9
105.07027	59.4
107.08594	48.2
109.10159	20.1
111.08083	4.6
115.05444	2.7
117.07015	13.0
117.23698	1.8
119.08584	51.3
121.06521	3.6
121.10129	29.0
123.08035	5.1
123.11700	8.6
125.09641	6.4
128.06253	4.8
129.06989	12.0
131.08556	32.8
133.10127	30.6
135.08087	3.4
135.11676	14.3
137.09610	2.4
139.11163	2.6
141.07005	7.5
142.07774	8.0
143.08549	19.9
144.09357	2.8
145.10126	37.8
147.11687	80.1
149.09610	4.6
149.13257	26.9
151.11206	2.2
155.08582	18.2
156.09351	6.0
157.10136	23.4
158.10898	2.8
159.11679	34.6
161.13254	11.8
163.11151	4.4
163.14853	4.0
168.09378	4.9
169.10139	21.4
170.10786	2.3
171.11685	16.8
173.13280	15.6
175.14827	7.4
177.12796	4.2
177.16309	2.2
181.10147	4.6
182.10883	6.8
183.11674	18.0
185.13242	14.2
187.11279	3.5
187.14812	27.4
189.16388	4.6
191.14330	7.4
195.11653	4.5
197.13240	44.5
199.14763	16.5
201.16428	7.2
211.14825	17.7
212.15623	3.9
212.62701	2.2
213.16347	13.7
215.14264	4.9
215.17865	3.2
224.15550	2.9
225.16335	12.9
227.18004	9.5
229.15904	7.9
231.20953	2.1
237.16306	4.2
238.17174	3.1
239.18091	5.1
241.19563	5.9
243.17526	4.1
243.21039	5.1
252.18750	3.6
257.22668	4.1
261.22168	4.3
267.21066	100.0
285.22119	60.6
285.25308	2.7
303.04980	5.7
303.16138	2.3
303.19507	6.9
303.23157	59.0
304.26337	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
52.54963	2.0
52.83215	2.1
53.03949	4.3
55.01860	7.9
55.05515	20.8
56.86282	1.8
56.96558	6.9
57.03431	6.4
57.07068	5.2
65.03925	2.6
67.05504	34.2
68.88366	1.9
69.03429	8.0
69.07068	100.0
71.04991	4.5
71.08623	2.0
71.49847	2.5
79.05496	28.8
81.03444	3.6
81.07050	46.8
83.04984	7.7
83.08609	9.5
85.06532	4.0
86.09724	3.3
91.05475	24.8
93.07040	48.4
95.04967	14.5
95.08608	37.3
97.06534	62.2
97.10192	5.6
98.03243	2.1
102.97435	2.2
103.05496	2.5
105.07029	46.4
107.04962	3.1
107.08595	53.1
109.02898	2.1
109.06528	8.6
109.10148	42.3
111.08077	4.0
111.11728	8.7
113.06010	2.2
115.05462	5.2
117.07009	9.7
119.08573	38.0
120.29257	2.2
121.06522	4.6
121.09357	1.8
121.10133	42.4
122.17178	2.2
123.04444	20.1
123.08052	7.6
123.11693	15.6
125.06017	2.2
125.09554	5.9
128.06227	4.4
129.06987	6.6
131.04922	8.2
131.08569	18.6
133.06503	6.5
133.10123	30.1
134.99673	2.7
135.08066	7.3
135.11693	32.5
137.02335	2.7
137.06010	5.2
137.09618	5.1
137.13228	4.0
139.11189	8.1
141.06929	2.9
143.08569	14.3
145.06471	5.7
145.10126	22.8
147.04340	5.0
147.08015	4.6
147.11681	32.3
149.05972	8.7
149.09630	8.0
149.13237	14.3
151.07558	8.0
151.11209	3.6
153.07022	2.2
155.08527	5.1
157.10130	8.5
159.08043	6.2
159.11716	20.0
160.05214	18.7
161.05980	48.9
161.09641	8.8
161.13278	13.1
163.07486	3.8
163.11168	5.3
163.14838	7.9
165.05519	8.3
165.09155	3.4
165.12737	4.6
167.10754	2.3
169.10126	5.7
171.08043	6.6
171.11729	7.2
173.09679	3.4
173.13222	11.4
175.11206	4.5
175.14874	11.5
177.09114	4.9
177.16434	3.3
179.10693	7.3
181.12186	2.5
182.11026	2.3
183.11697	4.2
185.13306	5.0
187.07553	7.7
187.11176	4.4
187.14821	11.9
189.09103	82.7
189.16397	4.7
190.09392	4.9
191.14340	3.6
197.13231	4.5
199.14833	3.6
201.12947	2.2
201.16376	10.7
203.14262	4.1
203.18018	10.5
203.65225	2.2
207.10161	49.6
211.14832	7.2
215.14462	3.3
215.17915	3.2
225.16426	5.1
227.17972	7.7
229.12318	3.6
239.17915	9.1
241.19565	7.5
243.17436	5.2
243.21088	4.9
245.15271	5.2
247.16965	3.1
254.20326	2.7
257.22638	10.2
267.21030	11.5
275.16437	3.0
281.12463	2.6
285.12137	2.9
285.14932	7.5
285.18903	3.5
285.22086	39.1
285.25323	3.7
303.05002	30.6
303.12558	2.1
303.15924	62.4
303.19531	24.1
303.23187	88.9
303.26474	3.8
304.16367	4.0
304.23553	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	303.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53380	2.0
54.19557	2.0
55.01845	6.8
55.05513	26.5
56.96543	5.1
57.03388	2.6
57.07048	6.6
59.04988	5.0
65.03922	5.5
67.05508	43.3
68.05869	2.3
69.03404	6.5
69.07071	100.0
69.32500	10.9
69.32933	11.7
71.04969	7.0
79.05496	31.4
81.07059	74.0
82.07346	2.6
83.04945	6.8
83.08618	11.8
85.02892	2.5
85.06526	3.2
91.04998	2.8
91.05481	30.4
93.06522	3.7
93.07044	58.6
95.04962	15.8
95.08605	66.0
95.70092	2.3
97.06529	27.6
97.10126	6.7
99.08035	3.9
103.05461	3.9
105.07037	65.1
107.04961	5.1
107.07914	4.9
107.08599	74.1
109.06510	13.2
109.10150	58.5
110.46964	2.7
111.04405	3.1
111.08064	7.9
111.11707	24.0
113.05990	3.2
116.98536	2.2
117.06976	10.6
119.08585	61.1
121.02853	2.2
121.06461	8.2
121.09364	3.8
121.10148	57.3
123.04362	2.9
123.08022	9.0
123.11704	25.3
125.05981	3.2
125.09572	6.2
128.06204	3.4
129.06972	7.2
131.08572	19.1
133.06528	3.3
133.10135	35.1
135.08006	9.3
135.10739	3.7
135.11688	46.0
137.02303	5.0
137.09602	7.1
137.13197	6.6
139.07510	3.1
139.11168	21.8
142.07764	3.1
143.08517	9.4
145.10120	34.9
147.08031	5.5
147.11693	69.9
149.05975	3.5
149.09584	7.5
149.13234	17.4
151.11163	5.1
153.01773	8.1
155.08533	5.6
156.09354	2.6
157.10138	10.7
159.08034	5.2
159.11710	24.5
161.06001	5.6
161.09605	7.6
161.13280	19.0
163.07509	2.8
163.11220	11.6
163.14841	5.2
165.01779	3.0
165.12732	7.1
167.10612	2.6
169.10085	4.7
171.11615	8.4
173.09625	4.5
173.13292	13.6
175.11145	3.6
175.14812	24.0
177.12697	3.5
177.16327	3.9
179.10661	3.4
183.11655	4.9
185.13211	6.3
187.03934	2.2
187.14870	14.9
189.09093	7.7
189.16327	6.1
191.10687	2.6
191.14308	3.3
191.17952	2.2
193.15828	9.0
197.13213	7.4
199.14822	4.9
201.05492	3.2
201.12767	3.5
201.16341	13.4
203.17966	21.0
205.12128	3.3
207.10104	4.1
211.14781	7.9
215.14265	2.8
215.17879	4.8
221.15311	4.3
225.16429	3.0
227.17873	5.6
229.04930	7.2
229.07130	2.4
229.15779	2.9
233.15462	4.1
241.12364	2.8
243.17322	4.9
243.21021	11.2
247.16917	6.0
257.04404	5.0
257.22659	14.2
258.07620	2.8
259.13364	2.3
267.21091	21.0
285.03937	2.8
285.18835	2.6
285.22067	34.8
286.22513	2.7
303.05002	66.0
303.15897	10.0
303.19357	13.1
303.23090	82.5
304.05234	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	303.2319
Annotation	5Z,8Z,10E,12E,14Z-Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03931	0.8
54.08332	0.8
55.05514	6.9
56.96558	1.2
57.03421	2.2
57.03689	0.7
57.07083	4.8
59.04979	1.0
61.02905	1.2
65.03938	1.5
67.05498	10.8
69.03397	1.3
69.06733	1.2
69.07064	11.5
69.94530	2.8
69.94942	1.6
71.04993	2.0
75.04469	1.3
79.05492	11.6
81.07053	21.7
83.08615	4.4
85.06518	1.3
86.09696	1.0
91.05477	17.3
92.05807	1.1
93.07037	19.9
95.04961	2.7
95.08602	16.8
97.06535	3.0
97.10155	2.8
98.20907	0.9
98.97578	0.9
103.05415	1.0
105.07032	25.0
107.04973	1.2
107.08585	24.4
109.02847	1.0
109.06516	1.8
109.10155	18.3
111.08069	2.2
111.11684	0.9
115.05441	1.9
117.07009	6.3
119.08580	26.0
121.06479	2.7
121.10136	18.2
123.08083	3.9
123.11683	6.1
125.09612	2.5
128.06207	1.7
129.07010	7.7
131.08556	16.7
133.10121	23.9
135.08018	2.2
135.11681	12.3
137.05959	1.6
137.09608	1.7
137.13242	2.2
141.06924	4.6
142.07773	3.1
143.08546	10.5
144.09334	1.9
145.10114	14.8
147.07999	1.6
147.11682	15.4
149.09601	2.6
149.13263	6.3
151.07571	1.4
151.11194	1.4
154.07768	1.5
155.08537	9.3
156.09315	2.4
157.10132	14.2
159.11682	13.5
161.09547	1.1
161.13264	10.0
163.03815	1.1
163.11185	1.8
163.14803	4.3
165.07011	1.4
167.08548	1.5
168.09245	1.5
169.10135	11.0
170.10925	2.5
171.08179	0.8
171.11676	9.8
172.12357	1.3
173.09688	1.1
173.13226	9.4
175.11156	2.3
175.14827	3.4
177.12717	2.4
179.27953	0.8
181.10146	2.7
182.10930	1.7
183.08099	0.9
183.11700	11.0
184.12383	1.7
185.13246	13.3
187.11072	1.3
187.14803	9.2
189.16473	4.7
191.14352	1.0
195.11697	2.2
196.12376	1.6
197.13252	11.7
199.14818	7.5
201.06053	1.0
201.12730	1.4
201.16356	5.4
203.14391	1.6
209.13261	2.8
210.13989	1.5
211.07623	1.4
211.14819	12.0
212.08295	1.1
212.15532	1.9
213.16402	5.6
215.14355	3.6
215.17976	1.3
221.21417	0.8
223.14685	1.1
224.15579	2.9
225.16360	8.7
226.17169	2.8
227.17961	15.2
229.15862	2.4
229.19537	1.3
231.17297	1.1
237.16331	1.7
239.07062	1.8
239.17924	17.5
241.12215	1.9
241.19487	11.1
242.19974	1.2
243.10490	1.0
243.17426	2.5
243.21112	5.1
252.18752	1.1
254.20239	6.6
255.21153	6.1
257.19092	1.8
257.22604	4.9
259.10733	1.1
259.13174	1.1
267.21063	22.7
271.09760	1.8
273.22174	3.2
285.12158	1.3
285.22107	68.7
286.22528	1.9
303.05081	6.6
303.16122	2.5
303.23169	100.0
304.23495	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	303.2319
Annotation	5Z,8Z,10E,12E,14Z-Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03941	1.2
55.01873	1.1
55.05512	6.9
56.96558	1.9
57.03437	1.4
57.07076	3.2
57.50528	0.6
61.02915	1.3
61.70450	0.6
65.03950	1.5
67.05505	10.1
69.03416	1.7
69.07068	8.4
71.04980	1.5
75.04474	1.1
79.05084	0.9
79.05498	10.0
81.07058	16.5
83.04977	1.5
83.08620	3.9
84.88472	0.6
85.06533	1.0
86.09712	0.9
91.05486	14.9
93.07041	14.1
95.04961	2.7
95.08613	16.1
97.02881	0.9
97.06536	17.0
97.10168	2.4
98.97591	0.8
101.06069	0.9
103.05474	1.2
105.07033	21.7
107.04877	0.8
107.08595	23.5
109.06515	2.2
109.10163	16.3
111.04443	1.0
111.08078	1.3
115.05445	1.5
117.07019	6.9
119.04955	0.7
119.08587	21.6
120.08092	1.8
121.06522	2.4
121.10150	14.3
121.11018	0.5
122.09659	0.7
123.04438	1.7
123.08054	1.9
123.11713	7.4
125.09642	2.5
128.06197	1.4
129.07007	6.1
130.07776	0.8
131.04840	1.2
131.08565	15.8
133.06441	0.7
133.10127	20.5
135.08058	3.1
135.10718	1.0
135.11699	11.1
137.05966	1.5
137.09610	1.4
137.13255	1.8
138.05482	3.8
138.09134	2.9
139.09445	0.7
139.11174	0.8
141.06984	3.5
142.07835	3.3
143.08560	11.8
144.09326	1.1
145.06503	1.8
145.10124	13.1
147.08087	1.4
147.11703	11.0
149.06071	0.7
149.09602	4.7
149.13235	4.1
151.07555	2.1
151.11255	0.8
153.06982	1.2
154.07768	1.3
155.08540	8.5
156.09325	2.1
157.06499	0.8
157.10132	12.4
158.10846	1.3
159.08090	2.5
159.11693	13.2
160.05147	0.9
161.01172	0.6
161.06046	1.1
161.09602	1.4
161.13249	9.2
163.07466	1.1
163.11174	2.4
163.14835	3.9
164.07082	1.1
165.05502	1.0
165.06973	1.0
165.09164	0.7
166.05042	4.1
166.08655	1.0
167.08582	1.3
167.10677	2.8
168.09341	0.7
169.10124	8.7
170.10927	1.7
171.11694	9.9
172.12450	0.6
173.05872	0.8
173.09656	1.4
173.13268	7.5
175.07599	0.6
175.11212	2.6
175.14786	2.9
177.12756	2.4
181.10126	1.6
182.10857	1.8
183.08052	1.5
183.11685	9.7
184.12485	2.7
185.13264	12.2
187.11150	1.8
187.14822	8.4
189.09135	2.6
189.12621	1.3
189.16367	4.1
191.06943	0.8
191.14326	1.0
195.11736	1.8
196.12563	1.0
197.13260	8.6
198.13963	1.5
199.07529	2.8
199.14836	6.0
200.15602	0.8
201.12759	2.1
201.16420	4.8
203.14421	1.6
207.10185	1.3
209.13260	2.4
210.14018	0.7
211.07570	1.2
211.14813	11.9
211.16797	0.9
212.10696	1.0
212.15573	2.6
213.16396	4.4
215.14330	2.7
215.17937	1.2
217.08684	1.0
217.15875	0.9
223.14827	1.3
224.15578	1.7
225.16409	8.2
225.21931	0.6
226.17168	2.8
227.17946	13.4
229.04890	0.9
229.15829	1.9
229.19572	0.8
231.17407	0.7
239.17944	18.4
241.12282	2.6
241.19496	12.8
241.21791	1.2
243.10283	0.8
243.17415	1.5
243.21109	6.5
252.18880	0.9
254.20270	6.8
255.17389	0.7
255.18600	1.0
255.21053	7.3
257.12848	1.8
257.19012	1.3
257.22757	3.1
259.13373	1.9
267.21094	18.8
268.21292	1.0
270.19797	0.9
271.09586	1.4
272.11667	1.6
273.22079	1.1
274.09250	1.1
275.13870	0.9
285.12372	2.9
285.15228	1.6
285.22122	60.5
286.22305	1.0
303.05011	8.1
303.13245	10.6
303.16068	5.8
303.23187	100.0
304.13483	0.9
304.23502	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	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
51.53380	2.0
54.19557	2.0
55.01845	6.8
55.05513	26.5
56.96543	5.1
57.03388	2.6
57.07048	6.6
59.04988	5.0
65.03922	5.5
67.05508	43.3
68.05869	2.3
69.03404	6.5
69.07071	100.0
69.32500	10.9
69.32933	11.7
71.04969	7.0
79.05496	31.4
81.07059	74.0
82.07346	2.6
83.04945	6.8
83.08618	11.8
85.02892	2.5
85.06526	3.2
91.04998	2.8
91.05481	30.4
93.06522	3.7
93.07044	58.6
95.04962	15.8
95.08605	66.0
95.70092	2.3
97.06529	27.6
97.10126	6.7
99.08035	3.9
103.05461	3.9
105.07037	65.1
107.04961	5.1
107.07914	4.9
107.08599	74.1
109.06510	13.2
109.10150	58.5
110.46964	2.7
111.04405	3.1
111.08064	7.9
111.11707	24.0
113.05990	3.2
116.98536	2.2
117.06976	10.6
119.08585	61.1
121.02853	2.2
121.06461	8.2
121.09364	3.8
121.10148	57.3
123.04362	2.9
123.08022	9.0
123.11704	25.3
125.05981	3.2
125.09572	6.2
128.06204	3.4
129.06972	7.2
131.08572	19.1
133.06528	3.3
133.10135	35.1
135.08006	9.3
135.10739	3.7
135.11688	46.0
137.02303	5.0
137.09602	7.1
137.13197	6.6
139.07510	3.1
139.11168	21.8
142.07764	3.1
143.08517	9.4
145.10120	34.9
147.08031	5.5
147.11693	69.9
149.05975	3.5
149.09584	7.5
149.13234	17.4
151.11163	5.1
153.01773	8.1
155.08533	5.6
156.09354	2.6
157.10138	10.7
159.08034	5.2
159.11710	24.5
161.06001	5.6
161.09605	7.6
161.13280	19.0
163.07509	2.8
163.11220	11.6
163.14841	5.2
165.01779	3.0
165.12732	7.1
167.10612	2.6
169.10085	4.7
171.11615	8.4
173.09625	4.5
173.13292	13.6
175.11145	3.6
175.14812	24.0
177.12697	3.5
177.16327	3.9
179.10661	3.4
183.11655	4.9
185.13211	6.3
187.03934	2.2
187.14870	14.9
189.09093	7.7
189.16327	6.1
191.10687	2.6
191.14308	3.3
191.17952	2.2
193.15828	9.0
197.13213	7.4
199.14822	4.9
201.05492	3.2
201.12767	3.5
201.16341	13.4
203.17966	21.0
205.12128	3.3
207.10104	4.1
211.14781	7.9
215.14265	2.8
215.17879	4.8
221.15311	4.3
225.16429	3.0
227.17873	5.6
229.04930	7.2
229.07130	2.4
229.15779	2.9
233.15462	4.1
241.12364	2.8
243.17322	4.9
243.21021	11.2
247.16917	6.0
257.04404	5.0
257.22659	14.2
258.07620	2.8
259.13364	2.3
267.21091	21.0
285.03937	2.8
285.18835	2.6
285.22067	34.8
286.22513	2.7
303.05002	66.0
303.15897	10.0
303.19357	13.1
303.23090	82.5
304.05234	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	304.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
56.96563	49.7
57.07060	1.1
66.95928	0.7
67.05495	5.3
69.07040	1.6
69.64859	4.6
70.06578	1.6
71.95265	4.3
74.97620	1.1
79.05489	4.1
81.07061	4.7
86.09692	6.1
88.07623	1.6
90.43858	0.9
91.05489	5.2
93.07044	5.0
95.04948	1.3
95.08604	4.3
97.06508	1.1
97.10165	0.9
97.64336	0.8
98.06033	1.2
100.45274	0.8
105.00180	0.9
105.01110	0.8
105.07021	3.0
109.06541	1.3
109.10156	1.7
110.97617	1.1
119.08585	1.9
123.01208	3.0
123.08072	1.5
127.00813	1.0
128.98607	2.0
129.06984	1.6
130.52495	1.0
131.04884	1.8
134.99648	1.1
137.02722	2.2
139.00696	1.3
141.02214	3.7
146.99658	2.6
147.03192	0.9
147.11626	1.9
150.11232	1.2
153.02206	3.6
155.03809	3.1
157.01717	4.2
159.03262	1.9
161.01198	1.2
167.03801	1.8
169.01701	4.3
171.03273	13.1
171.11598	1.1
173.04858	3.1
175.02733	1.7
181.01683	1.1
181.05377	2.3
183.03293	2.2
184.00452	1.3
185.04852	8.4
187.02757	2.9
188.10776	1.3
189.04356	7.5
191.05898	1.5
194.04878	0.9
197.04836	3.3
199.06363	7.1
201.04320	2.1
203.05891	10.4
205.07539	1.2
207.06996	1.7
207.13725	1.1
209.08440	1.5
211.06363	1.5
213.07864	0.9
215.05865	2.7
217.07469	10.7
219.10579	1.2
221.08559	1.9
223.06396	1.0
224.08064	1.0
225.07947	5.2
227.05835	1.2
227.09482	1.1
229.07460	3.6
233.08533	1.6
237.07919	1.9
239.09531	2.0
241.07457	1.7
242.21141	2.4
243.08965	2.3
245.08592	1.7
247.08409	2.9
251.09511	7.0
253.11157	3.3
255.09106	1.5
259.08459	3.1
263.09503	14.0
267.08905	1.0
269.10599	3.4
277.09503	1.0
281.10590	100.0
299.11642	85.3
300.11948	3.2
304.05362	3.3
304.12198	14.8
304.19666	2.1
304.23218	1.7
304.26230	7.2
322.13174	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	304.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
56.96564	44.7
67.05514	3.9
67.05837	0.6
69.07067	1.8
71.49712	0.8
71.95248	3.0
74.97594	1.5
79.05492	3.8
80.36788	0.6
81.07047	3.6
83.04986	0.9
83.08631	0.8
84.96038	1.0
86.09681	3.2
88.07630	1.0
91.05469	3.0
92.98635	1.4
93.07054	4.5
95.04971	1.4
95.08621	3.5
96.08945	0.8
97.06473	1.1
98.97595	0.7
100.95484	0.8
105.00158	1.1
105.07020	2.6
107.04928	0.7
107.08578	1.1
109.10134	1.0
110.97586	1.0
113.47666	0.7
119.08575	1.3
123.01179	2.7
127.00669	0.7
128.98604	1.7
129.06975	1.3
131.04948	0.9
131.08655	0.9
133.10118	0.7
133.68724	0.6
137.02707	1.4
139.00662	1.5
141.02202	1.9
146.99634	2.7
147.11653	2.0
151.00648	0.7
153.02206	2.6
155.03809	3.2
156.03555	0.9
157.01761	4.1
159.03308	1.4
161.01230	0.9
167.03807	2.0
169.01773	3.8
169.05385	0.6
171.03300	15.9
171.11668	1.5
173.04840	2.8
174.73604	0.7
175.02760	2.0
178.05652	0.7
181.05370	1.9
183.03343	3.3
185.04822	6.9
187.02795	2.5
189.04353	7.3
191.05913	2.1
194.04840	1.8
194.87381	0.8
195.06979	0.8
197.04886	3.2
199.06445	5.6
201.04369	2.4
203.05898	11.0
203.75269	0.7
207.06931	2.4
207.13829	1.4
208.06601	0.7
209.08476	1.1
211.06424	1.6
215.05894	2.5
217.07462	10.6
219.10576	0.9
221.04907	0.9
221.06738	0.9
221.08615	1.5
223.06328	1.3
224.08069	2.5
225.07996	3.2
227.09473	1.8
229.07471	3.9
231.09045	0.9
233.08498	2.2
235.06462	0.8
235.10005	2.3
237.07849	1.3
239.09546	1.8
241.07536	2.1
242.20883	0.7
242.24883	0.8
243.09109	2.8
245.08640	1.5
247.08574	3.6
251.09544	5.8
253.11104	2.5
255.08900	1.5
259.08615	3.2
263.09528	15.8
263.12155	1.3
269.10602	4.1
274.11282	0.9
276.12708	0.7
277.09610	0.8
281.10599	100.0
282.11081	3.6
287.16400	1.2
291.88211	0.7
299.11658	86.3
300.12000	2.1
304.05328	2.3
304.12195	15.8
304.15845	1.2
304.19824	1.7
304.25986	3.6
304.29309	1.0
304.67126	0.8
305.10373	0.9
322.13263	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
56.96566	0.8
57.03439	0.6
61.02927	0.6
61.53144	0.5
64.95374	0.7
67.05495	0.9
67.55695	0.6
69.03423	2.2
70.06520	3.6
71.08292	0.8
71.08633	7.8
72.08154	0.6
76.48516	0.6
79.05497	1.0
81.03458	0.8
81.07055	1.4
84.04503	9.7
84.08148	0.8
85.02909	31.7
86.09715	5.2
87.00830	0.7
88.11273	23.8
91.05492	1.2
93.07048	0.9
95.01325	1.7
95.04970	1.2
97.02877	1.7
98.97579	2.6
99.16212	0.7
100.07608	0.7
102.05550	8.1
103.05438	0.7
105.06991	0.9
105.92791	0.7
107.04953	1.7
110.06075	0.7
112.03957	1.0
116.98618	2.5
120.08109	0.9
124.07592	1.2
128.98643	0.7
130.05006	54.1
131.03394	1.2
131.04913	1.4
131.08644	0.7
133.10092	0.7
136.07559	2.1
137.07895	0.7
139.03886	1.4
142.12270	1.0
146.05984	0.8
146.99699	0.6
147.04411	0.6
147.11671	1.0
147.23009	0.6
149.09581	0.6
150.05499	0.7
153.01898	1.0
158.99611	1.0
159.09198	1.2
164.07111	1.3
165.05424	1.8
167.07089	0.9
172.13330	20.5
175.11150	0.7
177.00706	1.7
188.03397	0.9
188.07057	1.7
188.10721	1.3
200.12823	100.0
201.00882	0.6
201.13147	2.3
214.05058	0.8
218.13881	11.6
219.01837	1.1
219.14987	1.0
222.99121	1.1
223.05423	1.3
232.36121	0.6
234.96223	0.6
245.09540	0.7
249.21718	0.7
258.04770	0.9
286.12659	2.0
287.10254	1.4
289.03757	0.7
304.05359	11.1
304.14047	0.9
317.91223	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	304.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75313	0.4
53.03942	0.8
55.01860	0.4
55.05513	1.3
56.05028	0.6
58.24006	0.4
67.05502	1.5
68.05025	1.0
69.03417	1.0
69.86793	1.3
69.87212	1.1
70.06596	2.7
71.04977	0.8
79.05492	3.4
80.05020	9.5
81.03429	0.6
81.07048	1.9
82.06577	2.2
84.08135	1.9
85.02907	0.8
85.31422	0.5
86.09692	1.3
91.05478	3.7
92.05029	0.7
93.07045	5.6
93.41915	0.4
94.06564	9.5
95.04967	1.9
95.08600	1.5
96.08141	3.6
97.06548	0.6
98.06033	1.2
98.09682	2.0
98.97567	2.5
100.07615	29.8
104.05006	0.9
105.07022	4.2
107.07388	0.7
107.08612	0.7
110.06068	0.5
111.08089	0.6
112.07624	2.8
116.98632	1.3
120.04472	2.9
120.08100	32.8
122.09663	100.0
123.08083	0.9
123.10004	1.2
129.04478	1.9
130.02881	1.8
132.04463	2.2
134.06038	0.4
135.06335	0.7
137.07808	0.5
138.09140	6.9
140.10696	84.0
141.11052	0.7
147.05521	13.1
149.07039	0.5
158.11758	58.1
158.99689	0.6
159.12228	0.6
161.07115	0.5
164.07114	0.9
165.07480	0.6
177.00714	1.1
185.07098	2.8
187.08661	1.8
189.06587	10.7
196.06844	0.5
219.01654	0.8
223.09062	1.1
239.11740	1.3
250.13489	0.6
251.11790	1.1
268.12119	0.4
268.14447	15.8
286.15485	35.0
287.15891	0.7
304.16562	80.9
305.16959	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	304.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60613	0.3
55.05510	0.8
56.05023	0.7
56.96557	0.9
57.07076	0.7
58.06561	0.4
65.03957	0.7
67.05508	1.7
69.07072	3.2
69.67543	1.9
71.08615	0.4
73.75123	0.3
74.02763	0.3
74.06069	0.7
76.55547	0.3
79.05479	1.5
79.11291	0.3
80.05029	0.3
81.07056	1.4
83.08623	0.7
86.09701	2.2
88.07627	2.7
91.05463	1.2
92.04987	0.5
93.03395	1.2
93.07027	2.3
95.08583	1.2
97.06523	1.0
99.17494	0.3
105.07011	0.3
107.04972	0.6
107.08591	1.8
109.05245	0.6
109.06507	0.4
109.10155	0.9
110.03651	5.5
111.04448	4.2
118.08617	0.6
120.04475	0.9
121.10190	0.4
122.08138	0.3
124.07591	1.4
125.05984	9.9
125.09663	0.4
131.04910	0.6
131.08572	0.3
135.11696	1.3
137.04712	4.6
137.05956	3.1
143.07010	0.3
143.08652	0.3
147.11682	0.3
149.09644	0.3
152.07060	100.0
153.01041	0.4
153.05479	0.4
153.07355	1.9
175.07564	0.4
177.09053	0.5
188.10664	0.6
189.92326	0.3
214.74287	0.3
256.26367	1.6
281.14352	0.4
287.16376	0.4
304.05331	0.4
304.19199	2.8
304.23068	0.7
304.28510	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	304.2634
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
53.03942	0.8
54.14799	0.3
55.01872	1.2
55.05511	7.4
56.05039	0.5
57.07073	2.4
58.07404	1.1
61.62397	0.2
65.03936	0.9
67.05505	21.7
68.05846	0.3
69.03452	0.3
69.07069	6.2
70.06591	3.3
71.06923	1.1
71.08617	0.6
71.11523	0.7
72.04513	0.5
72.08954	0.5
79.05495	7.4
81.07056	13.4
82.06596	0.4
82.07380	0.4
83.04977	0.3
83.08606	1.3
84.08150	0.3
85.05278	4.7
85.10196	0.6
86.06077	1.1
86.09715	0.6
86.55316	0.3
88.07628	4.0
89.07942	2.1
90.08083	0.4
91.05488	3.4
93.07046	6.6
94.06558	0.3
95.04959	1.4
95.08607	10.3
97.10211	0.5
98.06052	18.8
98.09683	0.4
101.52465	0.2
102.09177	0.9
103.09531	0.6
105.07016	2.1
106.08634	1.6
107.08511	2.4
108.08103	0.3
108.09070	0.6
109.06501	0.5
109.10151	3.2
110.09702	0.6
112.07603	2.3
117.07008	0.4
119.08568	1.3
121.10188	1.6
122.09708	0.4
122.10516	0.3
123.11724	0.8
124.07568	0.5
124.11183	0.3
126.09167	0.6
131.08563	0.4
133.10139	0.7
135.11684	0.8
138.09161	0.9
140.10707	0.7
145.10112	0.4
147.11711	0.7
149.13293	0.4
152.10678	0.6
154.12244	1.1
166.12291	0.3
168.13889	0.6
173.13197	0.3
180.13846	0.7
182.15425	0.7
194.15367	0.6
196.16994	0.9
208.17033	1.0
222.18518	1.1
234.18513	0.6
236.20203	0.7
248.20074	0.5
286.30118	1.6
287.23822	0.3
292.60281	0.3
304.26364	100.0
304.31158	37.4
305.21185	0.5
305.26718	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	305.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
56.96564	16.3
57.03434	1.1
60.04506	0.3
61.02914	0.8
69.03419	2.3
69.67252	0.5
69.67655	1.6
70.06587	1.1
70.98118	2.6
71.04987	0.4
71.95256	0.6
72.08134	0.8
72.96038	0.3
73.02925	0.5
74.97594	0.5
81.03403	1.2
81.04526	0.9
82.06565	0.3
83.05003	0.4
84.08133	1.5
84.96044	1.1
85.02900	4.5
86.03246	0.3
86.06075	0.5
86.09698	0.7
86.46824	0.3
87.04451	0.8
88.99153	1.3
89.28703	0.3
93.07078	0.3
95.06097	0.5
97.02887	3.0
98.06082	0.4
98.09693	0.4
98.97575	13.6
99.04441	0.5
101.00895	0.6
107.00163	0.4
109.02839	0.5
110.97582	1.2
111.05582	0.4
112.05085	0.6
112.99135	1.0
113.02434	0.4
113.03490	0.8
116.07082	0.6
116.98615	10.5
119.01210	0.3
119.01895	2.1
120.08127	0.5
124.03918	0.4
124.95487	0.9
124.99124	0.7
125.02261	0.4
125.07141	0.9
126.05437	0.3
126.09165	1.1
127.03925	0.9
128.98613	2.9
129.10234	0.7
130.02885	0.3
131.00172	1.8
131.01862	1.4
131.05566	1.2
133.01726	1.1
133.03465	1.1
134.99654	6.7
137.02943	0.5
140.98656	0.4
142.96516	1.5
143.00194	2.0
143.01877	0.8
143.03171	0.4
143.05650	0.3
143.08144	4.1
144.04013	0.5
144.98120	0.6
145.01726	0.7
145.03484	0.9
145.04926	0.7
146.99655	2.7
148.97755	0.3
149.01221	1.3
149.02956	0.4
149.06595	2.3
152.98570	0.3
153.00700	1.1
154.08688	0.8
155.01923	1.0
156.98181	0.4
157.03471	0.7
158.99666	2.3
159.03285	0.4
160.97585	1.7
161.01207	3.8
161.02963	0.9
161.06635	1.3
162.99211	0.7
163.04520	0.3
165.00706	1.5
170.96149	0.5
170.99651	0.5
172.09715	1.1
172.97543	1.5
173.01221	1.1
173.02971	2.0
173.06540	1.9
174.99165	1.1
175.02808	0.3
177.00725	3.0
177.04211	1.0
178.98697	0.4
179.02255	1.2
179.07716	0.4
183.04268	0.5
184.97551	0.8
185.01236	0.3
185.02959	0.3
185.06621	1.3
186.99060	0.8
187.02707	0.3
187.08141	0.4
188.54950	1.0
188.97044	4.3
189.00706	2.0
190.98640	3.7
191.02332	1.3
192.04674	1.1
193.00229	1.8
195.01819	0.5
197.06609	0.7
201.00783	0.7
202.98642	2.6
203.02292	2.6
203.04037	0.8
203.07610	3.1
205.00229	1.5
206.98099	3.3
207.01712	1.8
208.99760	0.8
209.06563	0.3
211.01285	0.5
212.97089	0.4
214.98689	0.8
215.07651	3.4
217.00288	0.5
217.09186	0.4
219.01779	2.0
220.99730	2.9
221.03357	0.7
221.05109	2.3
223.01314	0.7
224.56029	0.3
225.15901	0.4
227.07700	0.5
230.98111	3.6
232.04991	0.3
232.99677	2.8
233.03384	0.3
235.01288	1.2
237.02800	3.5
239.00720	0.5
239.07722	0.6
244.99725	0.7
245.05316	1.5
247.06613	0.4
248.99187	2.6
257.08823	0.5
263.00690	3.2
263.06473	0.5
265.79681	0.3
273.08221	0.3
275.09805	1.1
281.01797	3.2
281.05005	0.5
293.05557	0.4
295.07077	0.9
299.02942	0.8
305.05505	3.0
305.12054	100.0
305.60583	0.6
306.12567	2.3
323.06415	3.3
323.10071	0.4
323.11255	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	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
53.22992	0.3
53.59529	0.3
55.01875	0.5
55.05507	0.5
56.96583	0.3
57.03435	0.8
65.03928	0.6
65.25908	0.4
67.05509	1.1
69.03439	0.6
69.07063	0.7
71.49466	0.8
76.01707	0.4
79.05479	1.7
81.07051	2.2
83.05011	0.5
84.04529	0.5
85.02914	0.9
86.09708	0.5
91.05484	4.2
91.75735	0.3
93.07056	3.5
95.04979	2.2
95.08616	0.8
96.08137	0.9
97.02915	0.4
97.06467	0.5
104.87440	0.4
105.07037	1.0
106.06534	0.4
107.04996	0.4
107.08601	0.4
108.08134	1.5
108.87116	0.4
109.10209	0.4
117.06982	0.4
118.06638	0.5
119.01933	0.7
120.08157	0.4
121.06510	0.5
121.10117	0.6
122.06027	2.9
122.09634	0.3
124.07593	9.4
124.08494	0.5
126.05515	1.9
130.05008	1.3
133.10155	0.6
136.07578	100.0
136.45741	0.3
137.05972	1.1
137.07909	1.2
137.09680	0.4
138.09044	0.8
140.07062	1.7
145.10146	0.5
149.01193	0.4
149.09628	1.1
150.05542	0.6
151.03970	0.4
152.07068	17.8
161.06151	0.3
161.09682	0.4
164.07063	74.0
165.07375	0.5
166.08629	0.6
167.10706	0.6
168.13118	0.4
170.08134	5.4
176.14333	3.3
180.06493	0.3
182.08127	17.1
193.63089	0.4
199.86415	0.4
224.08040	1.1
245.05132	0.9
287.10703	0.7
287.13852	3.6
305.10764	0.5
305.14807	2.3
305.17621	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	305.1496
Annotation	NSC 177499
Peak:m/z	Relative Intensity
53.03944	1.1
65.03955	0.2
67.05494	0.5
70.78909	0.4
70.79264	0.3
77.03931	0.4
79.05494	0.6
81.07050	1.1
91.05483	3.3
93.05798	0.4
93.07043	2.7
93.18706	0.2
93.75761	0.2
94.06563	0.6
95.04983	1.7
96.08133	0.8
97.06527	0.4
98.97569	0.2
105.04520	0.2
105.07002	0.3
108.08118	1.7
122.06027	3.2
124.07585	9.0
126.05502	1.6
136.07574	100.0
137.07039	0.2
137.07913	1.4
138.09094	0.6
140.07047	1.7
150.05527	0.6
152.07062	18.2
161.12917	0.2
164.07059	72.7
165.07423	0.9
166.08641	0.4
170.08142	4.2
173.09380	0.2
182.08128	15.3
184.09653	0.2
265.57501	0.2
287.13879	4.7
305.11765	0.3
305.14941	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	305.1748
Annotation	Miliusol
Peak:m/z	Relative Intensity
52.34514	0.6
53.03942	1.3
55.01878	3.1
55.05518	8.2
55.47086	0.6
56.96577	3.4
57.03430	2.3
57.07059	1.6
59.05027	0.8
65.03963	0.8
67.05180	1.2
67.05505	10.2
68.91403	0.7
69.03421	3.1
69.07076	5.4
70.06589	0.7
70.51920	1.7
70.52254	0.7
71.05003	3.7
73.02917	0.7
79.05501	11.5
81.03404	3.1
81.06608	1.0
81.07059	13.2
83.04993	3.5
83.08640	3.7
85.02910	1.2
85.06545	1.5
86.09703	1.7
88.07624	1.3
91.05482	9.6
92.58015	0.7
93.07054	14.6
93.69132	0.7
95.01337	100.0
95.04960	6.2
95.08612	10.0
96.01687	0.9
97.02901	1.9
97.06556	3.7
97.10172	4.6
98.97623	1.2
99.04481	1.2
103.05489	1.5
105.07043	9.4
107.04960	6.2
107.08595	10.8
109.02865	0.9
109.06499	5.4
109.10173	5.9
111.04449	1.5
111.08073	1.8
111.11640	0.7
113.06026	1.2
115.05452	1.1
116.98646	1.1
117.07039	3.3
119.04984	1.4
119.08586	7.4
120.08132	1.0
121.06508	5.5
121.10151	6.0
123.04504	1.0
123.08073	3.9
123.11729	2.8
125.06061	0.7
125.09628	4.5
126.09154	1.4
128.06218	1.3
129.07013	2.8
131.00084	0.7
131.04926	1.2
131.08575	3.8
132.09099	0.6
133.06522	2.9
133.10135	3.1
135.08072	9.9
135.11708	3.6
136.07611	1.2
137.05977	5.3
137.09618	2.6
139.07495	0.7
139.11157	1.0
142.07785	0.9
143.08549	2.4
143.10690	1.3
145.06445	1.5
145.10156	5.3
146.99625	0.7
147.04433	1.1
147.08063	2.9
147.11650	1.8
149.01245	0.9
149.05992	6.7
149.09605	4.4
149.13269	2.2
151.07542	3.4
153.09132	4.7
156.13829	1.5
157.06555	0.7
157.10188	2.4
157.37196	0.5
159.08073	1.8
159.11703	2.1
161.05962	3.4
161.09657	2.5
161.13289	1.5
163.03905	1.0
163.07562	5.6
163.11177	1.1
163.14830	1.6
165.05489	64.1
165.09157	1.9
166.05875	1.4
167.07118	0.7
167.10735	1.1
171.08054	1.6
171.10336	0.8
171.11711	1.2
173.09673	1.5
173.13290	1.8
175.07565	4.1
175.11176	1.7
177.00694	0.9
177.09103	2.5
179.07088	2.7
179.10756	0.7
181.08627	1.2
181.10104	0.6
185.09595	1.2
185.13338	1.0
186.18607	1.2
187.11272	1.0
187.14964	1.2
189.09103	2.2
189.11237	0.9
189.12798	1.2
191.07007	0.9
191.14357	1.3
193.12285	1.1
195.10234	0.8
197.08073	0.7
200.20081	0.8
201.12769	1.0
201.16422	0.9
203.10757	1.1
209.04500	0.8
213.05559	0.8
217.12061	0.8
219.13817	4.0
224.08107	2.8
224.58156	1.0
231.09981	0.8
231.13884	1.2
231.17542	0.9
235.13373	0.9
237.14909	1.0
241.15919	2.7
243.20638	0.8
245.15421	1.2
249.18456	0.8
259.16959	5.1
267.09229	0.9
269.12903	0.9
269.15463	3.9
269.18140	0.7
277.18167	1.1
279.48346	0.7
282.06735	0.9
283.06192	4.4
285.10245	2.2
287.04602	0.7
287.13702	3.6
287.16531	14.7
287.20059	1.4
287.23401	1.4
305.11438	1.5
305.14706	0.8
305.17548	18.5
305.21097	1.9
305.24509	7.2
306.17578	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	305.1747
Annotation	Miliusol
Peak:m/z	Relative Intensity
52.72097	1.2
53.03938	2.9
55.01867	12.3
55.05511	42.5
56.96566	9.3
57.03439	19.7
59.04983	2.6
61.93571	1.2
65.03956	1.7
67.05145	2.4
67.05506	41.5
69.03418	5.6
69.07071	14.3
69.60885	1.2
70.62668	1.4
71.04979	4.9
73.02920	3.2
79.05496	37.2
81.03417	10.0
81.06612	1.8
81.07059	31.9
83.04982	7.6
83.08627	13.3
85.02894	2.4
85.06533	4.8
86.09660	1.4
91.05483	20.4
92.01369	1.6
93.03403	1.4
93.07042	27.7
94.79295	1.4
95.01329	5.4
95.04970	18.3
95.08614	18.0
96.08897	1.5
97.02879	4.7
97.06533	10.4
97.10175	15.6
98.39147	1.5
99.04435	1.8
99.08092	1.7
101.02476	1.5
103.05449	3.3
105.07035	29.5
107.04946	20.3
107.08580	28.1
108.02084	3.8
109.02868	3.8
109.06516	68.7
109.10144	18.9
111.04442	3.5
111.08036	3.8
113.06017	8.4
115.05445	2.8
116.98631	1.8
117.07008	10.7
119.01823	2.2
119.04993	2.4
119.08568	13.2
121.06487	11.6
121.10109	5.6
123.04443	8.0
123.08067	11.6
123.11698	3.3
125.09625	16.5
128.02199	1.5
128.06200	1.6
128.98657	1.7
129.07002	6.8
131.00169	2.1
131.08585	10.3
133.06491	17.3
133.10146	9.1
134.99643	2.5
135.04424	5.8
135.08052	27.2
135.11678	4.1
137.05942	3.4
137.09578	3.1
137.13202	2.6
141.06911	1.8
143.08575	6.4
145.06499	3.5
145.10091	6.7
147.03128	2.2
147.08041	12.0
147.11696	4.1
149.01215	4.6
149.02318	2.4
149.05948	8.0
149.09636	5.6
149.13258	4.0
151.03871	5.4
151.07565	3.5
151.11183	1.5
153.09113	10.6
156.03615	6.3
156.09367	1.4
157.10155	4.1
158.99701	1.8
159.08072	7.0
159.11694	4.3
161.01242	2.6
161.05972	30.4
161.09621	7.1
161.13277	1.8
162.03145	3.3
163.03926	2.5
163.07558	6.6
163.11252	1.5
165.09074	3.7
167.02296	1.9
169.03493	1.7
169.10135	3.4
171.08040	3.0
171.10159	10.5
171.11681	4.3
173.09645	4.7
175.07536	19.2
175.11116	2.5
176.08368	1.4
177.09128	7.3
177.12729	2.1
179.03409	31.1
179.07027	6.0
181.12366	1.4
185.13222	2.6
187.07646	2.4
187.11162	18.6
187.14793	1.6
189.04359	1.7
189.09332	10.1
189.11186	11.8
189.12781	7.8
190.02608	1.7
191.07025	2.2
191.10713	3.0
193.08572	2.2
194.02075	2.2
197.08080	41.0
197.09827	2.1
199.11134	2.6
201.09114	2.6
203.02324	1.6
203.14406	2.2
205.12285	3.2
207.02910	14.4
209.04514	8.1
215.09061	14.8
224.08031	27.9
224.58211	2.7
227.14340	1.8
229.07530	3.1
231.13788	11.7
233.11713	3.5
241.15904	5.3
245.15341	3.8
247.08427	3.0
249.15121	2.4
257.10815	1.5
259.16940	23.3
263.16528	1.6
269.10687	1.8
269.15384	9.5
277.18030	6.6
283.08655	1.6
287.16418	100.0
288.16772	3.4
290.31403	1.4
294.10300	2.5
301.13254	1.7
305.10245	60.2
305.17474	69.9
305.21075	3.9
305.24683	4.8
305.60825	1.8
306.10577	4.2
306.17853	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	305.2111
Annotation	Agallochin I
Peak:m/z	Relative Intensity
55.01859	4.4
55.05511	16.8
56.96559	3.8
57.07061	8.6
59.04734	3.2
59.05004	52.7
65.03905	3.2
67.05515	16.2
69.03425	7.1
69.07086	15.6
69.43945	20.6
74.35657	2.9
75.04494	4.2
78.80142	2.4
79.05507	15.5
81.07057	18.1
83.04981	5.6
83.08615	3.5
83.72449	3.0
85.02908	2.7
85.06546	29.1
85.10173	2.7
91.05481	43.7
93.07047	29.6
95.04985	13.6
95.08601	20.4
97.06534	9.3
97.10157	3.3
99.04469	4.2
99.08063	3.8
105.07035	38.8
107.04959	2.8
107.08591	31.4
108.05719	3.7
108.82066	2.8
109.06526	20.9
109.10148	10.1
113.09621	5.0
115.05469	7.7
117.07044	18.4
118.26931	2.7
119.08569	30.5
121.06482	5.8
121.10139	48.9
123.08070	28.4
125.09617	9.1
128.06221	4.8
129.06978	5.4
130.07751	3.4
131.08574	18.3
133.06482	9.9
133.10095	14.0
135.08041	38.7
137.05972	5.5
137.09605	4.3
139.11145	3.1
141.06989	5.4
142.07741	6.6
143.08569	13.3
145.10139	20.8
147.08052	5.4
147.11656	8.3
149.09633	39.0
150.10414	63.4
151.11208	45.7
155.08653	5.7
156.09352	5.8
157.10161	20.5
159.08003	4.7
159.11676	11.4
161.09581	6.4
161.13271	3.8
163.11104	5.3
165.09119	20.2
167.08607	6.9
167.10687	32.2
169.10103	7.1
171.11647	14.9
172.95226	5.8
173.09589	7.5
173.13251	11.9
175.11186	10.8
177.12761	8.6
179.43648	3.0
180.09399	4.4
181.10156	9.3
182.10898	8.6
183.11708	4.4
185.13179	4.9
187.11275	3.6
187.14810	5.0
189.12764	11.2
191.14220	4.3
193.10023	5.3
193.12381	3.0
195.11739	9.9
197.13269	14.4
199.11099	9.5
205.12262	35.6
205.15952	8.9
207.11653	6.2
209.13168	2.9
211.14853	6.6
213.12672	6.0
213.16367	6.3
215.14375	7.2
217.12210	4.0
222.14087	10.9
229.15947	7.1
231.13861	5.5
233.15315	6.2
237.16333	14.8
247.17139	4.0
255.17445	20.0
269.19028	12.3
273.18472	9.6
287.17270	2.3
287.20047	84.4
305.05453	7.6
305.21127	100.0
306.21426	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	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42698	0.4
54.01300	0.4
58.10651	0.5
65.06294	0.5
69.07057	1.3
70.13316	2.0
79.05463	0.5
81.07053	0.7
91.05465	0.6
93.07020	0.5
94.04176	1.4
107.04913	0.7
107.08567	0.5
109.10133	0.7
117.17195	0.4
117.97794	0.4
122.03646	5.1
133.10170	0.9
135.11679	1.5
137.05974	100.0
138.06282	0.7
153.12738	1.5
154.33868	0.5
170.15442	3.1
182.15413	3.1
268.32523	0.4
295.39493	0.4
306.20663	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	306.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01859	0.7
55.05513	6.7
56.05026	0.3
57.07074	0.8
65.03932	0.3
67.05505	8.7
69.07069	7.4
70.06585	0.2
70.63114	0.2
70.63458	0.5
71.08628	0.2
72.04510	0.3
72.97675	0.2
79.05496	2.4
81.07057	7.8
82.06575	0.4
83.08620	2.8
85.05282	2.4
86.06058	1.0
91.05470	1.0
93.07042	1.5
95.08609	5.3
96.08138	0.2
97.06512	0.2
97.10162	1.1
98.06054	13.6
99.06827	0.4
105.07012	0.5
107.08604	0.8
108.08123	0.3
109.10162	1.5
110.09675	0.5
111.16454	0.2
112.07584	1.9
119.08574	0.6
121.06439	0.2
121.10137	0.4
123.11701	0.3
124.07588	0.4
124.11211	0.4
126.09113	0.5
129.06949	0.2
133.10184	0.4
135.11674	0.2
136.11185	0.2
137.05971	0.4
138.09111	0.4
140.10713	0.6
147.11656	0.2
152.10747	0.5
154.12206	0.8
168.13809	0.5
180.13939	0.2
182.15390	0.6
192.31480	0.2
194.15498	0.3
196.16968	0.7
208.16954	0.8
210.18616	0.2
211.59961	0.2
222.18602	0.6
224.20125	0.4
236.20023	0.5
238.21477	0.2
250.21709	0.2
259.61172	0.2
262.49548	0.2
264.23160	0.3
306.27902	100.0
307.28302	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	307.1
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09470	0.3
51.12051	0.3
65.47048	0.3
67.46452	0.3
67.74173	0.3
69.81364	1.9
78.17550	0.4
83.19650	0.3
94.93060	0.4
98.20819	0.4
99.35136	0.3
104.31253	0.3
112.89631	0.3
119.01911	1.2
121.99882	0.4
131.01935	0.8
133.01686	0.3
133.03461	0.5
135.24847	0.3
145.03456	0.4
166.01630	0.4
175.02745	0.6
175.04453	0.3
205.05528	0.5
217.05545	0.6
221.05295	0.4
232.92235	0.6
281.34222	0.4
307.09991	100.0
308.10452	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	307.1175
Annotation	Neolindenenonelactone
Peak:m/z	Relative Intensity
50.68245	0.6
51.57869	0.5
53.03926	1.3
53.99868	0.6
55.01876	3.5
55.05504	6.0
56.24582	0.5
56.96560	1.2
57.03447	4.0
57.07066	0.9
58.39011	0.5
61.02898	1.8
65.03918	2.2
65.27753	0.5
67.05502	8.2
67.89440	0.6
69.03420	3.2
69.07067	12.0
69.62841	3.8
71.04975	1.7
72.08174	0.6
76.02203	1.0
77.03921	1.1
79.05494	10.0
81.03410	2.2
81.07056	10.8
83.04960	3.3
83.08601	3.1
85.06553	1.5
89.03904	1.3
91.05479	6.9
93.03411	1.2
93.07040	6.4
95.04983	5.1
95.08609	8.8
97.05940	1.0
97.06529	16.9
97.10164	2.4
98.97514	0.6
101.05994	0.8
105.03376	2.3
105.07034	4.9
107.04951	5.0
107.08598	5.0
109.06521	5.5
109.10131	3.1
109.63249	0.6
111.04420	0.7
111.08080	4.6
111.28584	0.5
112.08842	2.4
113.06036	0.8
115.05439	1.0
117.06989	2.3
119.08558	4.4
121.02853	2.5
121.06529	3.0
121.10165	3.2
123.04428	3.9
123.08052	2.8
123.11707	1.2
125.09633	2.1
129.06987	1.3
131.04918	0.8
131.08571	3.5
133.02853	13.1
133.06433	1.2
133.10109	1.5
135.04430	3.1
135.08044	4.5
135.11703	0.9
137.09563	1.5
137.13312	1.0
141.06984	0.9
143.08563	1.5
145.06445	1.4
145.10091	1.9
147.04466	1.0
147.08049	1.8
147.11699	1.3
149.02328	12.4
149.05991	1.0
149.09644	2.7
149.13205	1.0
150.03096	2.0
151.03882	0.9
151.07564	1.4
155.08549	1.0
157.10085	0.8
159.04433	0.6
159.08015	2.0
159.10144	1.6
159.11676	1.1
161.02368	4.3
161.09613	1.1
163.03976	1.0
163.07529	1.3
163.11218	1.4
165.09082	1.6
169.10040	0.6
173.05951	1.3
173.09607	1.7
175.03906	7.8
175.11197	0.7
177.01860	12.8
177.09129	1.1
178.02585	3.2
179.03387	51.9
180.03773	0.7
183.50293	0.6
185.13214	0.7
187.04019	0.7
187.11232	0.6
189.01826	72.7
189.11197	1.0
190.02115	0.8
191.10701	0.8
201.05537	4.0
203.03369	1.1
203.07028	2.2
205.04982	3.3
217.12230	0.7
219.13805	0.8
231.06520	100.0
232.06876	1.4
233.15323	0.9
235.13231	0.7
239.07187	1.3
243.17435	1.3
245.81404	0.6
247.17012	0.6
253.15981	0.9
257.08084	12.6
259.09601	2.4
261.18579	3.6
271.16864	3.1
275.09140	33.4
289.10724	4.4
289.17966	9.8
289.21292	0.9
307.11740	65.8
307.15192	13.5
307.19080	9.8
308.12027	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	307.1285
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01863	1.5
55.48403	0.3
69.07056	0.4
69.65149	2.6
72.82854	0.4
79.05508	0.9
79.31818	0.4
85.02872	0.4
85.41083	0.4
91.05464	0.8
94.06582	0.8
95.08586	0.4
98.06051	0.9
98.20780	0.8
106.02940	0.5
106.06521	0.7
107.08578	1.1
108.04491	0.8
117.06979	0.7
119.08571	0.4
120.04480	0.4
122.06026	2.7
123.04446	0.9
124.07599	0.7
132.08038	0.4
135.08087	2.2
136.07605	0.9
138.05502	0.6
140.07056	2.4
145.10110	0.5
146.05951	0.8
146.09653	0.7
147.05530	0.8
148.04068	0.5
148.07602	0.5
149.95929	0.4
150.05521	0.8
150.09081	0.6
155.08498	0.4
156.08072	1.1
158.09689	0.5
159.09229	0.6
160.07585	2.2
162.09203	0.5
163.08713	1.1
164.07036	1.0
168.06612	2.2
170.09636	0.8
173.10725	0.5
174.09151	2.5
176.06952	0.6
177.10262	2.3
178.08627	17.0
182.08104	0.8
184.06229	0.5
184.07596	2.1
186.09215	0.7
187.08659	1.5
188.07121	3.5
190.08667	0.4
191.08183	0.8
196.09717	0.5
198.09186	2.2
201.06592	1.2
201.10204	3.6
202.08649	5.7
204.10146	0.6
205.09685	3.7
206.08084	2.4
212.07036	0.9
215.11862	0.6
216.10249	3.3
219.07658	0.7
219.11288	5.4
220.09663	2.4
226.08646	2.1
229.09727	5.6
230.08112	2.8
230.39865	0.4
243.11343	2.5
244.09688	5.4
247.10773	12.4
248.09189	1.2
254.08151	1.1
261.12354	1.0
262.10760	1.8
265.11823	14.5
271.10770	1.7
272.09222	1.8
289.08545	0.8
289.11813	17.4
290.09921	0.5
307.12872	100.0
308.13193	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	307.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
57.03412	0.4
67.05536	0.4
69.07056	0.5
69.50039	0.8
69.50447	2.4
79.05495	1.2
83.04985	0.4
84.08153	0.3
85.02939	0.4
91.05495	0.6
93.07002	0.9
95.04948	0.5
96.04500	0.6
98.06052	1.1
98.20805	0.8
98.97563	0.6
105.03424	0.3
105.07031	0.8
106.06543	0.7
107.08587	1.5
108.04467	1.3
110.06034	0.7
112.07524	0.3
118.06576	0.3
119.08556	0.6
120.04481	0.5
121.10137	0.4
122.06032	2.5
123.04366	0.4
124.07602	0.6
131.08524	0.5
132.08104	0.7
133.06479	0.6
135.08081	2.0
136.07568	1.2
138.05481	0.8
139.04047	0.4
140.07062	2.4
144.08084	0.5
145.06555	0.4
146.05998	1.0
146.09656	0.7
147.05562	0.8
147.06804	0.3
148.03918	0.6
148.07562	0.4
150.05492	0.9
155.08574	0.4
156.08109	1.1
158.06055	0.5
159.09222	0.5
160.07568	2.0
161.08365	0.4
162.09143	0.6
163.08662	1.5
164.07114	0.5
168.06610	2.3
172.07587	0.6
173.07167	0.6
173.10811	0.4
174.05537	0.5
174.09125	2.9
176.10750	0.5
177.10229	1.7
178.08624	16.4
182.08127	0.9
184.07579	1.8
186.09146	0.6
187.08740	1.3
188.07050	4.3
189.10323	0.5
191.08179	0.9
196.09737	0.5
198.09215	1.7
200.10689	0.5
201.06573	0.8
201.10254	3.6
202.08621	6.2
204.10191	0.4
205.09747	4.2
206.08138	2.9
211.08635	0.5
212.07108	1.0
215.08244	0.4
215.11867	0.7
216.10275	3.6
219.07761	0.9
219.11284	6.0
220.09659	2.1
225.10251	0.6
226.08614	2.6
229.09737	5.2
230.08121	3.0
243.11337	2.3
244.09631	4.4
246.11313	0.4
247.10777	11.5
248.09152	0.9
254.08096	0.9
261.12421	1.9
262.10733	1.6
265.11832	14.8
271.10678	1.9
272.09219	1.4
279.13226	0.3
289.11804	17.8
290.10107	0.7
292.93982	0.4
307.12869	100.0
308.13052	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	307.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.9
67.05523	0.4
68.35120	0.4
69.32964	2.1
69.33388	1.3
79.05492	0.9
81.07044	0.7
91.05494	1.5
93.07056	1.7
94.06584	0.5
95.04984	0.6
96.08162	1.1
104.85831	0.4
108.08121	1.1
122.06034	1.4
123.06786	2.0
124.07599	8.5
126.05505	0.7
126.09161	4.3
136.07581	61.4
137.07930	0.9
138.09146	53.7
139.09477	1.0
140.07076	1.9
140.10715	0.5
152.07068	16.5
164.07069	100.0
165.07434	1.7
166.08682	0.6
170.08133	4.7
182.08134	21.4
232.97783	0.4
289.15433	3.7
307.16522	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	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02479	0.4
56.05033	3.1
58.06601	4.7
69.03419	0.9
69.85027	1.2
69.85445	1.3
70.06612	0.9
72.35211	0.4
75.02720	0.4
78.37341	0.4
84.04507	26.3
84.08143	100.0
85.02912	1.2
85.08447	0.7
86.05552	0.5
86.06066	7.7
86.09705	6.8
88.04008	3.6
90.70326	0.4
95.08609	0.4
97.02876	0.5
98.97551	0.8
98.98461	0.5
99.09219	0.6
103.02254	0.5
114.12794	0.6
130.08646	1.7
135.11780	0.4
141.13855	6.9
144.10155	0.7
146.06012	20.6
149.73558	0.5
169.13371	11.2
175.55141	0.4
195.02170	0.4
198.11298	1.6
215.13910	43.6
216.14217	1.0
243.17047	53.7
244.17345	1.6
262.11157	3.2
307.13147	0.6
307.16840	16.0
308.11139	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	307.1902
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
51.02355	2.6
51.32326	2.2
53.03947	12.1
54.38065	2.5
55.01866	13.9
55.05508	32.7
57.03428	15.8
65.03929	4.5
67.05505	38.8
69.03435	7.2
69.07082	14.2
70.75797	7.7
71.04974	4.2
79.05484	41.1
81.03412	11.8
81.07052	38.5
83.04986	13.0
83.08608	14.7
85.06563	3.5
91.05479	63.9
93.07044	100.0
95.04961	42.0
95.08604	33.5
97.06530	4.8
97.10146	17.5
103.05456	14.5
105.03875	3.0
105.04529	5.8
105.07033	32.5
107.04961	20.2
107.08591	26.5
109.06510	8.4
109.10182	13.2
111.08112	11.2
117.07024	15.7
118.61729	2.2
119.04986	4.0
119.08590	22.8
121.02868	44.8
121.06501	83.5
121.10120	11.9
123.04417	6.7
123.08065	7.7
125.09665	16.4
129.07001	5.0
131.08560	18.3
133.06503	16.5
133.10124	9.3
135.04411	5.6
135.08054	26.8
135.11722	3.1
137.05965	5.2
137.09613	17.5
139.07526	3.1
142.07811	4.5
143.08540	5.9
145.10123	15.0
147.08057	9.8
147.11659	4.8
149.05997	8.5
149.09579	13.2
151.07553	9.1
153.09164	5.4
155.10622	4.1
157.10191	4.8
159.08022	14.3
159.11708	3.6
161.09628	6.9
163.07538	46.9
165.09116	4.3
167.10695	7.3
169.10051	3.3
171.10225	2.9
171.11674	3.2
173.09628	7.6
173.11641	2.6
173.13187	4.3
175.11212	4.7
177.09126	8.6
187.11176	4.1
189.11226	9.1
191.10716	8.3
195.10185	11.6
225.16412	3.4
233.15405	7.9
243.17487	7.7
250.14116	2.7
253.15926	5.3
261.18542	15.7
271.16895	17.5
289.17963	88.7
307.18994	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	307.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06442	0.9
53.03938	3.2
55.01883	5.6
55.05516	7.1
56.96561	2.5
57.03439	18.7
67.05507	13.3
69.03416	2.1
69.07069	5.9
69.74950	5.8
71.04988	4.8
77.03896	1.0
79.05501	13.6
81.03423	36.6
81.07059	12.8
83.04966	4.2
83.08622	2.1
85.02914	1.7
85.06538	6.4
85.21867	1.0
91.05489	15.7
93.07051	18.0
95.04971	30.6
95.08612	11.6
97.06561	1.8
97.10173	2.0
105.07047	10.2
107.04958	100.0
107.08601	4.4
109.06522	20.2
109.07190	0.7
109.10152	3.2
111.04432	1.4
113.06003	12.9
115.05482	2.3
117.07014	5.3
119.08595	8.0
121.02903	1.4
121.06506	24.9
121.10132	2.2
123.04417	2.1
123.08045	8.6
125.09620	2.7
128.06261	2.2
129.07011	7.7
131.08572	6.0
133.06493	6.8
133.10114	4.3
135.04414	1.6
135.08052	12.0
135.11633	1.5
137.06009	1.8
137.09601	4.0
141.07007	1.2
143.00168	1.3
143.08588	2.7
145.06493	2.4
145.10114	3.6
147.08073	6.3
147.11702	2.9
149.05949	4.9
149.09576	2.3
151.07523	1.8
153.09052	2.3
155.08566	2.8
157.10176	6.0
159.08060	4.3
159.11705	1.9
161.01225	1.3
161.09602	4.2
163.03893	2.2
163.07529	3.0
165.09128	35.6
169.10155	1.2
171.11694	6.2
173.09637	3.5
175.11185	8.2
176.04135	1.0
177.09062	2.0
179.10582	1.2
181.10272	1.1
189.12723	7.0
191.10680	6.0
192.48997	1.0
199.11182	6.7
205.12160	1.1
217.12236	11.2
219.13806	1.9
223.13309	2.0
233.15350	13.8
235.13280	49.9
237.00760	1.3
243.17366	1.5
245.05728	1.2
254.06299	2.0
259.09741	2.9
261.18518	3.9
267.03827	1.1
271.16870	7.6
275.08957	1.1
277.80734	1.2
289.17999	26.7
307.15381	2.9
307.19012	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	307.1901
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03938	7.7
55.01859	14.7
55.05515	38.8
56.16390	3.4
57.03206	3.3
57.03435	28.1
67.05499	38.0
69.03426	6.3
69.07055	12.9
69.93758	19.7
71.04992	7.7
74.62875	4.5
79.05499	36.6
81.03412	21.0
81.07053	30.6
83.04974	9.8
83.08620	13.6
85.06538	3.8
91.05471	35.7
93.07049	32.8
95.04974	24.0
95.08585	22.2
97.10155	25.1
105.07013	34.6
107.04951	58.8
107.08601	25.7
109.06524	32.9
109.10137	13.0
113.06013	6.3
115.05476	5.2
117.07015	13.9
119.08572	18.3
121.06479	26.6
121.10125	10.2
123.08062	15.8
125.09619	19.4
129.06976	11.1
131.08568	12.6
133.06487	13.1
133.10104	10.1
135.08040	22.2
137.09618	4.2
143.08527	9.7
144.66449	4.5
145.06454	5.7
145.10114	12.7
147.08052	19.5
149.05952	30.1
149.09615	10.7
151.07553	9.9
155.08598	6.3
156.63506	4.3
157.10196	7.9
159.08069	39.1
161.09645	8.8
163.07535	10.3
165.09138	15.6
169.10054	4.5
171.11655	7.4
173.09639	12.4
175.11218	6.6
177.09106	11.5
183.11633	4.1
185.09697	4.7
187.14905	4.2
189.11263	14.0
191.10712	5.4
197.13159	5.5
215.14363	5.6
217.12305	4.4
233.15379	15.9
235.13287	16.2
243.17563	11.7
253.15918	11.4
261.18643	5.9
271.16931	38.2
289.17926	100.0
307.14795	5.1
307.19211	16.9
326.59027	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	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03942	7.4
55.01871	17.3
55.05515	52.8
57.03172	7.4
57.03438	94.8
57.07022	7.1
60.59190	7.1
67.05506	89.3
69.07053	24.6
71.04999	15.7
71.32380	9.7
71.32722	10.4
79.05493	69.9
80.15255	7.3
81.03406	12.9
81.07061	68.4
83.04984	71.4
83.08613	14.5
91.05473	62.7
93.07048	72.3
95.04973	32.9
95.08617	60.8
97.06527	13.2
97.10174	7.8
99.04460	8.1
105.07040	43.8
105.81577	7.0
107.04949	74.1
107.08593	37.8
108.05772	7.6
109.06538	47.1
109.10136	22.8
111.04450	43.8
113.05990	9.9
117.07000	31.8
119.08571	40.0
121.02858	7.2
121.06500	23.7
121.10123	13.1
123.04447	7.1
123.08082	13.6
125.06002	14.9
125.09599	8.4
128.76773	7.1
129.06969	10.9
131.08540	28.9
133.06474	14.6
133.10135	19.4
135.04355	7.5
135.08105	31.5
135.11703	13.4
137.06001	30.9
137.09630	17.3
138.06277	26.5
143.08527	7.5
145.06490	7.6
145.10106	29.3
147.08005	16.2
149.05943	13.1
149.09521	10.5
151.07549	17.0
153.07056	7.8
155.08548	12.4
157.10101	17.3
159.08043	20.1
159.11703	14.9
161.09550	13.6
163.07594	12.5
165.09084	7.9
165.12767	12.1
166.13054	11.4
169.10106	15.4
171.11739	9.5
173.09605	13.8
177.12735	26.3
183.11627	7.6
187.14931	8.4
189.12778	8.2
195.07962	8.4
205.15843	15.4
215.14250	10.5
217.12196	8.5
219.10074	8.4
233.15430	37.1
243.17500	18.4
261.02945	8.2
261.18439	29.4
271.17010	31.7
289.17981	100.0
289.21240	6.7
290.21994	18.1
307.18970	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.00289	1.0
53.03930	2.1
55.01860	4.0
55.05516	12.1
56.81699	0.9
57.03419	1.8
57.07059	2.6
65.03937	1.5
67.05508	27.3
69.03434	2.3
69.07069	23.3
69.74446	5.6
71.04984	2.8
71.08631	1.2
79.05492	18.3
81.03426	1.1
81.07056	36.3
82.63245	0.9
83.04991	7.5
83.08605	5.4
85.06554	2.0
91.05482	20.2
93.06503	1.7
93.07047	24.9
95.04977	9.1
95.08607	21.9
97.06521	4.2
97.10133	3.4
105.07037	25.1
107.04958	5.7
107.08591	17.1
109.06521	12.3
109.10162	11.8
111.08084	1.9
117.07024	8.5
119.08584	16.0
121.02787	0.9
121.06509	9.9
121.10143	10.2
123.08078	7.1
123.11706	4.6
125.09667	1.9
129.07007	2.3
131.08562	16.9
133.06451	2.9
133.10114	19.9
135.08046	6.0
135.11694	5.8
137.09610	3.6
143.08571	3.2
145.06477	1.3
145.10129	12.4
146.06068	1.2
147.08044	2.9
147.11673	12.3
149.09604	6.6
149.13251	2.7
151.11171	7.9
155.08543	2.0
157.10126	4.1
159.08041	2.7
159.11665	7.3
161.09608	2.8
161.13246	4.0
163.11195	7.1
165.09166	1.2
165.12590	1.2
171.11595	2.1
173.09630	2.9
173.13248	5.7
175.11197	3.0
177.12750	4.0
179.14264	1.2
183.11653	4.0
185.13258	1.2
187.11124	2.3
187.14885	2.3
189.12840	1.5
189.74576	1.0
191.14296	3.6
197.13272	2.3
201.12776	3.3
207.13814	3.4
215.14383	2.2
215.17905	1.7
219.13811	5.6
229.19536	2.8
231.17406	1.3
233.15373	1.7
237.14815	1.4
239.17972	3.5
247.20592	3.1
257.19028	13.6
261.03055	1.1
275.20065	100.0
276.20392	6.1
289.18039	3.5
289.21582	3.3
307.19391	1.6
307.22690	43.4
307.28156	2.4
308.23145	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.9
55.01871	24.9
55.05511	30.7
55.60707	3.9
57.03445	19.6
57.07084	6.4
67.05505	65.0
69.07076	32.0
70.56824	9.9
71.05002	5.2
71.08629	4.2
79.05502	46.1
81.03419	10.9
81.06603	6.5
81.07057	87.2
83.04985	7.5
83.08608	12.5
85.06549	8.6
86.87309	3.1
91.05483	44.5
93.07049	49.3
95.04971	18.2
95.08605	46.0
97.06541	32.8
97.10173	12.3
98.20893	4.0
99.04459	11.0
105.07024	48.6
107.04967	18.4
107.08605	41.1
109.06522	22.8
109.10155	14.2
117.07017	16.9
119.08576	33.1
121.06493	6.7
121.10153	15.1
123.08068	9.4
123.11679	4.6
125.09617	14.4
129.07025	6.6
131.08522	15.8
133.10149	28.3
135.08035	7.4
135.11713	12.3
137.09653	9.0
143.08524	5.9
145.10129	13.3
147.11705	11.9
149.09618	18.6
149.13275	7.1
151.11243	5.2
157.10173	5.5
159.11697	19.9
161.13263	8.6
163.11154	6.0
173.13263	8.0
177.12747	6.6
185.13251	9.0
201.16386	8.0
203.12679	6.1
203.14345	11.7
219.17441	100.0
220.17807	4.9
235.16899	5.9
247.20602	5.1
257.18964	7.5
275.20020	48.8
289.18045	7.7
307.19366	3.8
307.22754	12.3
307.26041	8.7
307.28668	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03927	2.1
55.01871	4.7
55.05250	0.9
55.05509	17.3
56.28940	0.6
56.96561	1.1
57.03419	2.0
57.07061	2.7
58.21732	0.7
59.04994	1.8
64.89970	0.7
65.03934	0.8
67.05502	18.9
69.03402	1.4
69.07065	10.7
70.63447	2.1
71.04972	3.4
71.08609	0.8
73.06543	1.5
79.05489	21.0
81.03400	2.2
81.07055	21.6
83.04978	3.1
83.08620	3.7
85.02901	0.7
85.06535	2.8
91.05478	14.9
93.07042	18.1
95.04955	7.1
95.08607	17.2
97.02866	0.8
97.06517	4.3
97.10141	2.8
99.08095	1.0
103.05452	0.9
105.07026	16.8
107.04945	5.1
107.08585	11.6
108.05780	0.9
109.06509	12.1
109.10140	7.8
111.08091	2.9
113.06008	2.7
115.05415	0.8
117.07021	6.7
119.08575	12.3
121.02788	0.9
121.06498	8.6
121.10121	7.0
122.07310	0.7
123.08064	10.1
123.11687	1.5
125.06001	3.5
125.09594	2.2
129.06996	1.5
131.08572	8.0
132.61792	0.6
133.10133	7.8
135.08046	10.6
135.11702	3.6
137.05998	1.0
137.09636	3.8
137.13364	0.7
139.07501	1.4
143.08531	2.2
145.10095	6.2
147.08038	1.9
147.11659	4.4
149.09605	6.5
149.13254	1.7
151.07527	0.9
151.11174	2.6
155.08562	1.3
156.92160	0.7
157.10092	1.2
159.08093	1.4
159.10371	0.8
159.11626	4.7
161.09596	1.8
161.13274	2.1
163.11192	2.4
165.09059	1.0
165.12714	3.5
169.10118	1.5
171.11719	1.5
173.09660	0.9
173.11826	1.0
173.13278	2.9
175.11189	1.1
175.14818	0.8
177.12726	5.0
179.14331	4.3
181.12181	1.2
182.04724	0.7
183.11705	1.4
183.13736	1.8
185.13223	1.0
187.11133	1.2
187.14917	0.9
191.14301	3.0
193.12267	1.0
195.13765	1.5
203.14307	1.1
205.12222	1.1
205.15804	1.0
207.17484	2.9
209.13417	0.7
209.15317	1.3
215.14348	0.8
219.13771	1.6
219.17456	3.2
229.19490	2.0
237.14824	0.8
239.18013	1.5
243.17363	0.7
247.20580	4.5
251.16414	2.1
257.18933	2.7
261.02899	1.6
261.18384	0.7
261.19604	0.7
261.22144	5.3
271.20526	0.8
275.20084	15.1
279.23181	2.2
289.18036	2.2
289.21600	3.2
307.22653	100.0
308.22998	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	308.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55241	0.4
55.01880	0.6
57.03432	0.9
61.02918	1.4
69.03432	3.8
71.33669	0.7
73.02913	0.6
79.05486	0.5
81.03414	1.1
85.02908	5.8
87.04457	1.0
87.34823	0.4
91.03967	0.6
91.05463	3.5
97.02897	2.1
99.04392	0.6
109.02869	0.7
110.39760	0.4
117.05791	0.9
118.06544	58.4
119.06879	0.5
127.03900	1.4
145.04962	0.8
146.06013	100.0
147.06334	1.3
218.00249	0.4
264.82526	0.5
270.45654	0.4
308.07690	0.6
308.11307	10.2
308.14920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
57.03443	0.5
61.02907	1.4
64.68204	0.3
69.03426	2.7
70.95905	0.7
71.04960	0.5
73.02913	0.5
81.03405	1.0
85.02907	8.4
91.03963	0.5
91.95129	0.4
92.05008	0.5
95.00222	0.3
97.02898	2.6
99.04421	0.3
99.28397	0.4
104.04980	4.7
109.02850	0.6
127.03915	1.0
129.04489	1.5
130.02890	1.0
145.04965	1.9
147.05527	100.0
148.05852	1.2
225.79729	0.4
265.42380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01877	0.9
55.05513	1.8
56.96561	1.2
57.03431	0.8
57.07075	0.7
58.99580	1.6
58.99872	0.3
59.04980	0.4
67.05507	3.2
69.07076	3.2
70.06584	0.5
70.54288	1.0
70.54642	0.4
71.04991	0.8
79.05499	3.7
80.13789	0.4
81.03413	1.2
81.07066	7.2
83.04967	1.2
83.08625	1.2
85.01134	1.3
85.02905	2.2
85.06552	1.0
87.04474	0.6
91.05501	2.8
93.07047	2.5
95.04975	2.6
95.08607	4.1
97.01156	0.4
97.06550	2.8
97.10170	0.8
98.97574	1.0
99.04456	0.7
104.58189	0.3
105.07034	2.8
107.04953	1.5
107.08585	4.1
109.06494	1.1
109.10146	1.5
111.04453	0.9
111.08104	0.5
111.11734	0.4
113.00599	0.5
115.05437	0.6
116.98651	0.5
117.07000	1.1
119.08593	2.2
121.06499	1.1
121.10152	1.8
123.04440	1.1
123.08070	1.3
123.11715	13.7
125.00584	1.6
125.09653	1.2
128.06219	0.8
129.05487	0.6
129.07030	1.0
131.08577	1.4
133.06477	1.0
133.10127	1.2
134.99640	0.5
135.04419	0.6
135.08014	0.8
135.11696	0.9
137.05965	0.7
137.09648	0.9
139.03929	0.5
139.11172	0.6
141.00060	2.3
141.05341	0.3
143.08615	0.7
145.06490	0.5
145.10147	1.3
147.04446	0.4
147.05490	1.9
147.08034	1.0
147.11661	1.1
149.09714	0.4
151.07530	0.4
153.00070	2.9
153.09079	0.5
157.06502	0.4
157.10167	0.9
159.11700	0.5
161.04179	0.7
161.09665	0.6
163.03983	0.9
163.07480	0.4
163.11191	0.6
167.01648	2.3
167.08659	0.5
168.99556	100.0
169.99895	0.9
171.11722	0.6
174.06503	0.4
175.11115	0.4
177.00722	0.4
177.04028	0.4
177.09134	0.6
179.01643	0.7
179.10684	0.4
185.06059	0.4
187.00618	8.5
189.03728	0.8
189.07045	0.4
189.11285	0.5
189.12840	0.5
191.10446	0.4
195.08093	0.4
205.06494	0.5
206.07254	0.6
217.03195	8.4
217.06409	0.5
220.10417	0.4
221.09593	0.5
223.07643	0.4
234.06712	1.3
235.04222	3.5
235.13274	0.6
245.06512	0.4
245.09834	0.6
245.18909	0.4
248.08359	0.5
249.09119	1.6
251.07083	0.7
255.08582	0.6
263.07050	0.5
265.12152	0.5
265.44818	0.3
266.05219	0.4
266.10358	0.5
273.09393	0.7
273.18600	1.1
277.08621	2.2
281.11694	0.9
291.10361	0.6
291.19485	1.4
291.27014	0.5
294.09006	0.4
297.09991	0.7
308.61227	0.4
309.08005	0.7
309.11249	4.3
309.14343	0.4
309.17111	1.1
309.20682	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	309.1696
Annotation	Altamisin
Peak:m/z	Relative Intensity
53.03931	3.9
55.01876	9.9
55.05514	18.9
56.96563	2.2
57.03167	1.3
57.03435	19.9
59.04980	3.6
65.03918	2.8
67.05505	39.5
68.99775	1.1
69.03405	2.9
69.07074	6.6
70.06589	1.4
70.64674	2.1
70.65042	1.9
71.01359	8.9
71.04995	5.5
77.03927	1.0
79.05489	33.9
81.03418	31.0
81.06618	1.6
81.07055	24.1
83.04986	7.5
83.08627	5.6
85.02909	5.7
85.06520	1.9
91.05481	27.8
92.05799	1.4
93.06502	1.9
93.07047	26.1
95.04967	100.0
95.08604	7.8
97.02885	2.4
97.06506	3.8
97.10164	6.7
99.04433	1.5
100.11252	1.1
103.03955	5.6
103.05450	2.7
105.07034	17.7
107.04951	18.7
107.08599	20.2
109.02879	15.1
109.06525	11.4
109.10156	5.1
111.04433	2.4
111.08084	4.8
115.05444	1.3
117.07030	9.1
118.47654	1.0
119.04915	2.4
119.08584	14.3
121.06487	9.1
121.10145	9.8
123.04430	77.1
123.08055	2.7
124.77000	1.0
125.05994	2.5
125.09608	5.7
128.06218	2.2
129.07025	10.6
130.07823	2.4
131.04881	3.9
131.08553	8.7
133.06476	3.4
133.10136	6.8
134.99637	1.3
135.04367	1.9
135.08055	7.4
135.11687	11.1
137.05959	4.3
139.03862	2.7
143.08553	4.4
145.06468	2.9
145.10130	18.0
147.04405	2.6
147.05557	4.0
147.08035	6.4
147.11714	6.8
149.02322	3.1
149.05960	3.3
149.09651	5.1
151.07526	1.7
153.09116	6.7
155.08553	2.7
156.91577	1.1
157.06447	1.7
157.10115	3.3
159.11670	1.6
161.09616	1.6
161.13199	2.3
163.09886	2.1
163.11182	25.7
165.12788	2.1
171.08107	1.2
171.11699	9.2
173.09621	11.6
175.11104	1.7
182.15448	1.7
189.09076	2.0
189.11168	2.5
189.12721	14.9
191.10657	7.2
193.12219	2.2
199.11180	4.7
201.80208	1.3
207.13792	20.8
209.11684	2.4
212.91577	1.2
217.12257	12.9
234.06779	1.2
235.13287	70.6
236.13622	1.8
245.15498	1.4
249.09146	3.6
250.10429	1.3
253.14259	1.5
263.16382	1.8
273.14764	1.9
273.18610	1.3
277.08600	3.0
281.11758	2.6
291.15924	2.1
291.19366	1.5
294.08630	1.2
309.07864	2.3
309.11734	5.6
309.16953	68.8
310.12442	1.3
310.17163	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	309.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01877	8.5
55.05513	27.3
57.03440	24.4
57.07070	2.4
62.31200	1.2
65.03948	3.4
67.05506	40.1
69.03422	4.3
69.07073	6.8
70.06595	1.5
70.84587	1.7
70.84924	1.8
71.01350	6.5
71.02850	1.4
71.04987	5.2
73.87447	1.2
79.05495	31.5
81.03422	34.3
81.07056	26.9
83.04983	8.0
83.08629	11.6
84.08137	3.1
85.02914	5.7
85.06551	1.4
86.09686	1.4
86.84383	1.2
87.35789	1.4
91.05489	26.1
93.07049	24.1
95.04971	100.0
95.08595	9.3
97.02895	2.4
97.06530	5.2
97.10191	8.6
98.09707	2.1
98.97588	2.4
99.04456	1.7
99.08097	1.5
100.07578	1.4
100.11269	6.6
101.04721	1.3
103.02176	1.7
103.03956	5.7
103.05479	3.1
105.07027	18.3
107.04964	18.4
107.08591	17.3
109.02876	11.4
109.06528	11.1
109.10187	5.0
111.04436	3.9
111.08102	4.3
112.07556	1.9
116.98702	1.4
117.07014	12.3
119.04946	3.3
119.08577	16.2
121.06538	10.2
121.10136	10.0
123.04433	69.7
123.08075	3.7
125.05957	2.1
125.09645	4.5
126.09130	6.2
127.03936	1.4
128.06206	2.6
128.07083	1.8
129.07004	8.3
131.04933	1.8
131.08571	10.1
133.06485	3.8
133.10138	6.8
135.04420	1.8
135.08049	8.0
135.11700	11.3
137.05978	5.7
139.03925	2.1
143.08548	5.3
145.06487	3.0
145.10107	21.1
146.06052	1.7
147.05505	2.6
147.08073	8.3
147.11725	8.2
149.05977	2.7
149.09602	3.3
151.07539	1.3
153.09087	6.1
155.08499	1.4
156.09323	1.8
157.10117	2.5
161.09679	2.5
161.13318	3.9
163.04164	1.5
163.11182	28.7
165.12735	2.5
165.16246	1.5
171.11713	10.0
173.09621	11.6
182.15422	26.7
189.11211	2.1
189.12706	13.4
191.10730	5.8
193.12271	1.8
195.27980	1.3
196.32814	1.3
199.11205	3.4
203.14406	1.4
205.12103	1.4
207.13815	23.7
210.14946	3.8
217.06560	1.5
217.12251	14.2
235.13293	71.4
253.14388	2.4
263.16489	3.1
273.08957	1.3
273.15134	2.1
273.18500	1.5
277.08798	1.5
291.16116	2.2
309.11346	3.2
309.17007	71.9
309.21576	9.8
310.17361	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	309.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56016	1.4
53.03938	3.6
55.01867	7.5
55.05511	12.8
56.96569	1.9
57.03439	17.4
59.65006	1.4
65.03936	4.0
67.05508	31.7
69.03433	9.1
69.07059	6.6
70.06582	1.4
70.90012	1.3
71.01360	4.1
71.04995	5.1
77.78783	1.4
79.05083	2.5
79.05499	27.4
81.03003	2.5
81.03423	26.5
81.07056	23.3
82.06606	1.7
83.04972	5.6
83.08618	6.6
84.08129	2.2
85.02917	6.4
85.06540	2.8
91.05477	19.9
93.07039	22.6
95.04971	100.0
95.08604	10.2
97.02869	2.9
97.06537	4.1
97.10164	5.2
98.09705	1.6
98.20825	3.5
98.97589	5.8
103.03942	4.0
103.05460	2.8
105.03324	1.8
105.07034	15.1
107.04949	15.7
107.08600	14.6
109.02882	10.3
109.06525	9.6
109.10136	4.0
111.04440	4.3
111.08060	3.4
115.05446	2.1
116.98657	3.5
117.07021	9.2
119.04936	2.0
119.08590	14.8
121.06510	7.7
121.10108	8.1
123.04433	56.6
123.08067	2.9
125.06038	2.3
125.09637	5.1
129.07037	10.2
131.04935	2.6
131.08563	9.6
133.06497	4.0
133.10144	7.1
134.53854	1.5
135.08040	5.3
135.11714	9.2
137.05960	2.9
137.09644	2.6
139.03912	3.1
143.08560	6.1
145.06505	2.0
145.10121	14.7
146.34515	1.7
147.04478	1.9
147.05550	4.9
147.08060	6.3
147.11690	6.9
149.06000	2.9
149.09622	3.5
153.09126	3.0
155.08560	3.0
157.06554	1.5
157.10030	2.2
158.99637	1.5
159.11693	1.6
161.09624	2.9
161.13278	2.7
163.11171	20.0
164.14336	1.8
165.05450	2.5
165.12770	3.2
171.11726	8.6
173.09666	7.6
175.07628	1.6
175.11189	2.7
182.15466	1.7
189.12700	11.1
191.10678	6.8
193.04961	2.6
193.12317	2.3
199.11139	4.0
207.13823	17.2
209.33923	1.5
217.12230	9.2
219.13878	2.5
222.08356	4.3
234.06845	2.0
235.13297	47.3
245.15349	2.6
249.09154	1.7
263.16534	3.4
277.08746	3.6
281.11887	2.2
285.46442	1.3
291.20447	5.0
309.11182	6.5
309.16995	64.7
310.13129	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03945	2.7
55.01871	8.4
55.05508	26.8
56.96559	4.1
57.03433	3.5
65.03945	2.3
67.05505	36.3
69.03426	2.4
69.07057	9.0
69.86540	8.9
70.17618	2.2
71.04996	3.2
79.05495	60.5
81.03414	2.6
81.07049	22.1
83.04984	6.7
83.08616	9.5
91.05483	28.3
93.07044	31.4
94.07347	1.7
94.73622	1.6
95.04949	9.5
95.08611	52.6
97.06535	4.1
97.10175	10.5
98.21493	3.3
105.07037	16.6
107.04955	100.0
107.08592	28.6
109.06495	3.8
109.10150	21.8
115.05457	2.5
116.06147	1.9
117.07022	9.8
119.08574	27.0
121.06486	2.2
121.10159	10.7
123.04472	2.1
123.08080	3.8
125.09640	8.0
129.07034	4.3
131.08540	10.8
133.10117	5.3
135.08052	52.7
135.09030	3.1
135.11687	3.6
136.08371	2.6
137.09633	13.1
141.09100	7.4
143.08562	4.5
145.10159	8.8
147.08020	14.5
147.11719	2.8
148.33389	1.6
149.09613	6.6
155.10689	4.5
157.10191	3.7
159.10190	20.6
159.11568	2.5
161.09630	7.2
163.11174	1.9
165.09103	6.0
171.11766	2.6
173.11737	16.9
175.11188	2.8
183.10196	2.4
185.26387	1.9
189.11241	4.4
237.43170	1.9
245.18973	4.0
263.20123	7.5
273.18481	22.3
291.19562	28.6
309.20688	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.75436	0.7
53.03943	1.3
55.01873	43.0
55.05512	16.4
57.03416	3.4
59.04989	2.1
63.60616	0.9
65.03923	1.9
67.05505	40.1
69.03410	2.7
69.07068	15.8
69.10056	0.8
70.47281	2.1
71.04961	2.9
71.27673	0.9
78.90824	0.9
79.05489	16.6
81.03011	0.9
81.03416	9.9
81.06612	1.1
81.07052	16.2
83.04977	30.1
83.08607	6.2
85.02879	1.8
85.06548	1.2
91.04927	1.0
91.05479	15.2
93.03387	2.1
93.07038	18.9
95.04964	22.0
95.08608	18.8
97.06530	30.4
97.10159	6.6
99.04450	21.1
99.08098	1.3
100.25854	1.0
105.07028	8.6
107.04952	12.9
107.08580	13.1
109.06486	4.0
109.10151	16.1
111.04438	100.0
111.08048	4.2
111.11677	0.9
113.05976	1.4
116.98581	1.1
117.07017	4.9
119.04947	0.9
119.08571	9.2
121.06483	3.3
121.10161	5.2
123.04418	2.0
123.08053	5.2
123.11652	1.5
125.09611	7.8
129.06993	2.6
131.08536	5.7
133.06494	1.7
133.10124	5.7
135.08060	4.6
135.11684	2.0
137.05972	1.2
137.09615	14.1
139.11151	1.2
143.08559	2.7
145.10091	3.6
147.08047	2.8
147.11647	1.9
149.09622	6.0
149.13277	1.2
151.07568	0.9
151.11159	2.0
153.09102	18.6
155.10677	2.5
157.10097	2.5
159.11696	2.4
161.08276	1.2
161.09601	8.4
161.13158	1.0
163.11142	2.9
165.09103	2.6
171.11655	2.1
173.11761	6.3
175.09828	1.0
175.11174	5.5
175.14824	1.1
177.12688	1.6
179.10623	2.5
185.09555	1.6
185.13220	1.1
187.11139	1.1
189.11090	1.5
189.12662	2.3
189.78749	1.0
193.12227	2.7
221.11722	1.7
221.15353	2.1
227.18007	1.1
231.13763	1.8
235.13239	1.7
245.18954	2.4
249.14799	3.3
255.17302	2.8
263.20059	9.4
267.15784	4.1
273.18506	12.5
291.19550	36.3
292.19797	2.0
309.11487	1.9
309.14853	1.8
309.20557	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.14251	4.3
53.22293	3.8
55.01859	17.5
55.05512	49.6
55.22348	3.7
57.03434	39.2
59.93662	3.9
67.05504	52.8
69.07056	13.2
70.75146	11.1
71.04985	6.8
79.05497	58.5
81.03416	7.8
81.07056	79.3
83.04980	11.0
83.08615	25.0
85.06519	5.7
91.05481	46.1
93.07058	34.3
95.04967	24.3
95.08620	24.0
95.31239	3.8
97.06495	7.8
97.10166	25.5
99.04446	5.5
99.08099	6.3
103.05434	5.2
105.07011	28.7
107.04930	31.3
107.08002	4.2
107.08596	28.3
109.06518	22.5
109.10149	17.2
111.04456	15.9
111.08050	7.1
117.07011	30.1
119.08580	43.9
121.06497	12.6
121.10121	12.7
123.08073	12.6
125.09620	21.4
128.06210	5.0
129.07016	13.1
131.08557	24.5
133.06517	4.4
133.10130	11.3
135.08072	21.2
137.09622	7.1
143.08524	4.9
145.10159	24.0
147.08107	23.6
149.09599	6.3
153.09114	4.9
157.10114	11.7
157.60297	4.8
159.08130	5.9
159.11653	7.8
161.09608	14.5
163.11169	7.6
165.09091	7.6
171.11710	4.2
173.13240	8.3
180.85892	4.1
183.11717	5.5
189.11217	15.5
193.12181	4.3
201.12715	4.1
204.76831	3.9
217.15797	7.6
219.13814	12.1
223.13235	7.5
237.14874	6.2
245.18945	4.9
249.14804	10.3
255.17326	7.1
255.43773	4.6
273.18475	61.1
291.19537	100.0
292.19797	7.8
309.20624	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.40348	2.4
52.00541	2.4
55.01867	21.3
55.05514	18.5
57.03419	8.9
65.03935	5.0
66.76151	2.7
67.05511	20.6
69.07073	16.0
71.01534	3.2
71.01852	3.9
71.04971	6.5
76.50259	2.4
79.05497	15.6
81.03405	6.7
81.07054	18.3
83.04523	2.3
83.04978	37.7
83.08597	3.5
85.02909	6.5
85.06516	4.4
87.72092	2.6
91.05486	22.2
93.06483	3.6
93.07041	34.4
95.04949	10.8
95.08604	29.7
97.02887	4.9
97.06540	7.9
97.10165	2.9
99.04456	36.5
105.07045	16.8
107.04976	13.4
107.08592	18.2
109.06522	7.5
109.10136	6.4
111.04440	100.0
111.08075	4.9
113.06011	12.1
117.07002	6.1
119.08600	12.9
121.06528	3.1
121.10110	8.7
123.08029	15.3
125.09629	12.3
129.07014	4.1
131.08551	8.4
133.10114	20.6
135.08044	9.2
137.05960	10.6
137.09586	4.7
143.08539	3.0
145.10065	5.1
147.08041	3.9
147.11644	8.8
149.09621	9.7
153.09100	21.6
155.04652	2.3
157.10107	8.7
161.09579	4.9
165.12743	9.1
175.11174	39.8
177.12686	2.7
179.10716	5.7
193.12236	44.9
203.10631	6.8
221.11737	22.5
235.13303	5.4
235.63354	2.5
245.18999	3.3
249.18509	5.1
273.18536	16.2
291.19507	62.4
309.20483	11.4
310.95175	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	309.2057
Annotation	Albocycline
Peak:m/z	Relative Intensity
55.01865	5.7
55.05505	7.9
57.03441	39.0
62.15120	2.2
65.03929	3.0
67.05508	25.3
69.07069	3.4
70.44920	7.6
70.45268	3.5
71.04990	2.5
79.05494	14.3
81.03389	3.1
81.07054	13.1
83.08630	3.9
85.06551	33.4
91.05492	12.5
92.29955	2.7
93.07041	16.9
95.04967	38.3
95.08611	6.8
105.07005	7.7
107.04925	4.5
107.08569	13.2
109.06518	33.4
109.10150	4.8
113.06010	100.0
117.07011	7.8
118.15319	2.3
119.08570	5.1
121.10088	3.2
123.08056	3.1
129.06998	3.5
131.08559	7.9
133.10155	4.1
135.08058	33.2
135.11681	5.0
143.08551	4.3
145.10150	3.6
147.07933	3.1
149.09621	4.7
157.10120	3.5
159.11612	4.2
161.09605	4.2
169.10179	2.5
199.14778	3.0
205.78250	2.2
217.15887	8.8
263.20264	2.5
273.18509	15.2
291.19522	49.3
294.24518	2.6
296.19437	2.6
309.20511	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.83200	0.8
53.03948	3.3
55.01879	5.0
55.05516	18.5
57.03418	1.3
59.04988	1.8
65.03942	1.7
67.05507	27.5
69.03450	2.5
69.07070	7.9
70.12061	3.8
71.04985	1.1
79.05494	46.8
80.05831	1.6
81.03423	1.7
81.07056	16.3
83.04989	2.9
83.05659	0.8
83.08619	9.3
85.06519	1.0
91.05485	18.5
93.07043	19.4
95.04969	7.8
95.08609	14.8
95.25261	0.8
97.06522	1.8
97.10163	11.5
105.07032	8.3
107.04957	100.0
107.08600	17.7
108.05287	2.2
109.06548	2.0
109.10154	19.7
111.08080	0.9
115.05478	1.2
117.07024	8.3
119.07728	1.2
119.08589	21.4
121.10143	6.3
123.08093	2.5
125.09636	9.6
128.06271	1.8
129.06993	3.1
131.08559	8.1
133.06522	1.9
133.10146	3.8
135.08054	48.3
135.11667	1.9
136.08408	1.5
137.09621	9.0
140.83818	1.0
141.09087	1.6
143.08574	3.7
145.10129	7.4
147.08041	8.8
147.11768	1.5
149.09633	4.0
153.09088	1.0
155.10674	4.3
157.10136	3.1
159.10165	3.9
159.11737	1.6
161.09631	3.5
163.11191	1.1
165.09171	3.9
171.11713	1.4
173.11729	18.5
173.13194	1.3
175.11191	1.4
177.09166	1.1
179.10683	0.9
183.10258	1.1
185.13268	0.9
189.11217	5.9
205.25566	0.9
227.17921	1.3
237.16373	1.1
245.18993	1.0
247.08200	0.9
255.17648	1.7
263.20026	1.6
273.18488	16.9
291.19528	24.1
309.20474	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03946	3.6
55.01876	9.3
55.05514	25.3
57.03434	5.2
58.54913	1.4
59.04990	2.4
62.91515	1.5
65.03935	2.8
67.05507	34.0
69.03400	2.3
69.07078	9.5
69.62501	11.7
71.05004	1.3
79.05022	2.6
79.05492	53.5
81.03413	3.7
81.07055	23.4
83.04990	3.5
83.08627	12.5
91.05479	22.6
93.07045	29.6
95.04974	11.2
95.08604	16.8
97.06531	3.0
97.10167	16.6
105.07030	15.6
107.04958	100.0
107.08595	23.9
109.06536	4.2
109.10159	21.7
111.08097	2.8
115.05450	4.0
117.07023	10.5
119.08585	27.8
121.06548	2.4
121.10179	6.9
123.08134	3.4
125.09635	12.2
129.06973	3.7
130.07944	1.6
131.08536	9.9
133.06512	2.8
133.10149	5.4
135.08057	58.4
135.11617	2.4
137.05995	10.2
137.09596	11.3
138.06316	6.3
143.08582	5.0
145.10103	11.4
147.08063	10.5
147.11644	1.9
149.09625	5.6
151.11111	2.1
153.09120	2.0
155.10683	3.3
157.10150	3.8
159.11723	4.3
161.09624	3.0
163.11182	3.6
165.09123	17.2
167.10623	1.9
169.10231	1.5
171.10173	3.4
171.11642	3.5
173.11775	19.4
175.11234	2.3
177.09131	1.8
181.12128	1.5
189.11279	4.2
224.00900	1.3
227.17996	2.2
228.86794	1.4
245.19077	3.6
255.17461	2.5
263.20132	3.3
273.18536	20.5
291.19525	41.6
309.13162	1.7
309.20605	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	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01862	4.3
55.05511	27.8
57.03431	2.1
67.05505	12.4
69.03423	2.2
69.07077	13.5
70.75826	3.5
70.76169	2.8
79.05483	15.6
81.03394	5.0
81.07055	15.2
83.04958	2.9
83.08614	15.2
91.05471	10.5
93.07016	7.9
95.01254	2.3
95.04961	7.6
95.08594	6.8
97.10167	21.5
105.06998	6.3
107.04967	4.8
107.08588	9.9
109.10143	5.4
111.04481	2.2
117.06972	3.4
119.08577	7.1
121.06492	2.7
121.10116	3.6
123.08032	6.7
125.09629	13.9
131.08545	4.8
133.06454	2.8
133.10114	4.3
137.09583	2.6
147.11647	4.8
161.09612	2.7
163.11298	2.7
165.09068	4.8
173.11722	2.4
189.11226	9.1
189.12679	2.5
193.12431	1.8
223.13264	2.4
244.31297	2.0
245.18996	2.4
249.14806	3.1
255.17552	2.1
273.18494	11.7
273.21082	2.0
291.19525	100.0
292.19791	5.4
309.20532	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03942	4.4
55.01869	25.1
55.05508	33.2
57.03428	5.0
67.05146	3.7
67.05504	75.5
69.03413	6.3
69.07059	26.8
69.75611	6.4
69.76025	8.6
71.04980	11.6
71.08615	3.4
74.60212	2.9
77.20494	2.6
79.05490	59.6
81.03419	7.3
81.07053	91.3
83.01354	2.6
83.04980	19.8
83.08601	9.2
85.02878	2.9
85.06525	11.0
91.05481	63.4
92.01672	2.7
93.06501	4.3
93.07039	51.5
95.04984	13.5
95.08615	33.4
97.02884	6.6
97.06519	11.0
99.04441	6.8
99.08087	7.0
105.07021	53.2
107.04940	11.4
107.08591	58.9
109.06514	12.9
109.10155	86.7
111.04424	10.5
111.08062	11.2
113.05986	4.7
117.07005	9.5
119.08590	24.0
121.06514	13.0
121.10148	14.0
123.04381	3.0
123.08097	13.5
123.11696	11.8
125.06010	3.6
125.09609	5.5
127.07536	6.2
129.06961	6.7
131.08580	16.1
133.06496	10.8
133.09148	5.3
133.10123	99.1
134.10425	4.7
135.08040	10.2
135.11671	10.0
137.05934	4.8
137.09595	6.1
139.07526	5.8
141.09114	3.4
143.08548	7.7
145.10098	9.1
147.08051	10.9
147.11676	8.0
149.09605	10.8
149.13127	2.9
151.07486	2.4
151.10008	4.8
151.11168	62.9
151.79266	2.7
153.09027	3.0
157.10120	5.5
159.11652	6.6
161.09622	13.6
163.11201	6.0
165.09125	5.4
165.12656	3.4
165.39294	3.3
167.10667	9.1
169.12178	17.8
171.11594	6.0
172.73450	2.9
175.11171	11.6
179.10747	5.2
181.08551	4.0
181.12265	3.0
185.13361	4.4
189.12737	6.2
191.14314	3.1
193.12198	4.9
215.12762	5.0
227.17801	4.2
245.18987	16.8
249.15137	2.7
255.17497	5.8
263.20035	19.1
273.18503	40.8
291.19540	100.0
292.19876	5.4
309.20602	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03940	4.1
54.09249	2.1
55.01873	83.0
55.05245	2.9
55.05511	56.5
55.05772	1.8
56.96545	2.1
57.03424	8.3
57.07062	7.1
59.05001	5.1
65.03942	3.6
67.05504	92.0
67.81905	2.2
69.03423	5.8
69.07067	56.1
71.04983	7.3
71.08624	3.6
71.34750	4.7
79.05487	42.6
79.74227	2.1
81.03422	30.1
81.07055	58.1
83.04975	47.3
83.08601	18.5
85.02906	4.1
85.06523	6.8
91.05477	34.7
93.07047	43.6
95.04964	54.6
95.08604	47.8
97.06524	63.0
97.10156	20.9
98.06041	5.7
98.10512	2.2
99.04463	19.0
99.08081	4.9
105.07011	22.6
107.04945	18.9
107.08590	34.3
109.06508	9.1
109.10152	46.4
111.04438	97.4
111.08072	7.9
113.06010	4.8
115.05436	2.6
117.06990	8.4
119.08580	22.4
121.06513	9.4
121.10153	22.1
123.04402	7.5
123.08067	11.9
123.11695	4.2
125.06068	2.7
125.09621	21.5
129.07030	7.8
131.04860	2.2
131.08589	15.4
133.06477	6.3
133.10135	17.2
135.08073	13.6
135.11690	3.8
137.09615	34.1
139.11166	7.0
142.07793	2.4
143.08574	10.2
144.09296	2.1
145.10152	12.2
147.08073	6.4
147.11703	6.6
149.09634	15.2
149.13223	4.2
151.07582	3.8
151.11159	5.4
153.09099	20.9
154.78566	2.1
155.10695	2.7
157.10158	11.5
159.11652	19.7
161.09615	15.5
161.13264	4.9
163.11150	7.4
163.14848	2.4
165.09122	4.5
165.12868	3.7
167.10675	6.1
171.11681	6.3
173.11745	15.8
173.13193	4.6
175.11041	10.5
176.77505	2.0
177.12831	3.7
179.10632	7.1
183.11713	2.5
185.13211	6.0
187.14925	2.7
189.11122	2.9
189.12753	3.4
193.12251	6.8
197.13332	3.3
203.12767	3.3
203.14476	3.4
207.13863	3.2
213.12817	2.7
221.15352	6.0
223.13219	3.7
227.17816	3.2
231.13794	2.4
235.13127	3.4
245.19025	6.1
249.14801	12.7
249.18402	2.9
255.17403	3.6
263.20013	23.3
267.15860	12.8
273.18463	29.3
277.21643	6.9
291.19522	100.0
292.19946	6.6
309.20624	76.4
309.23947	2.9
309.25980	4.6
309.29773	62.2
310.20874	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	309.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.1
53.03947	6.5
55.01867	5.8
55.05508	23.3
57.03428	6.3
57.07071	4.2
58.15207	2.6
65.03921	5.0
67.05502	36.4
69.03424	2.5
69.07068	21.2
69.61823	2.5
69.92170	5.6
69.92578	9.4
71.04980	4.0
79.05490	33.2
81.03405	3.6
81.07054	48.4
81.61619	2.3
83.04994	6.2
83.08607	8.8
91.05473	46.3
92.47362	2.5
93.07043	83.0
95.04968	54.8
95.08604	44.8
97.06521	23.7
97.10118	3.4
103.05469	5.5
105.07027	92.0
107.04977	3.1
107.08600	43.7
109.06509	10.6
109.10146	25.8
115.05455	5.3
116.06277	3.0
117.07029	17.2
119.08576	70.5
121.06494	8.3
121.10141	97.3
123.08053	12.4
123.11703	7.7
127.19153	2.4
128.06235	8.5
129.07025	12.3
130.07790	7.3
131.08560	41.3
133.06516	5.3
133.07571	2.7
133.10129	38.5
134.65529	2.4
135.08070	10.5
135.11682	11.1
137.09586	2.7
141.06985	6.3
142.07764	16.0
143.08562	28.8
144.09335	7.8
145.06526	3.4
145.10112	52.2
147.08011	3.7
147.11690	19.8
149.09569	5.2
153.06952	4.8
155.08539	14.0
156.09340	11.2
157.10118	41.3
158.10927	5.2
159.08081	3.3
159.11700	44.7
161.09630	8.6
161.13239	10.6
165.07008	3.4
167.08575	6.3
168.09354	7.0
169.10133	20.4
170.10873	5.7
170.64055	2.9
171.11719	21.5
172.12515	3.5
173.09662	5.2
173.13245	18.0
175.11192	3.4
175.14859	10.0
179.08569	7.0
180.09435	3.3
181.10103	7.8
182.10896	6.0
183.11687	21.5
184.12433	5.1
185.09685	2.8
185.13245	17.9
187.11206	8.5
187.14850	17.1
192.09325	4.1
193.10188	9.0
193.12111	3.3
195.11720	11.0
196.12454	4.5
197.13228	14.4
199.11156	4.1
199.14882	7.2
201.12776	4.2
201.16367	3.7
205.10149	4.2
207.11623	6.7
208.12369	3.4
209.13277	11.4
211.14801	13.4
213.12650	2.7
213.16406	5.1
215.14302	3.9
221.13351	5.4
223.14886	3.7
225.16348	7.1
227.14293	3.4
229.15984	2.5
235.14824	7.4
237.16319	4.5
239.14388	4.1
249.16464	3.9
251.17934	2.6
253.15771	3.8
265.19550	5.4
281.22693	6.3
291.20935	9.7
309.22141	100.0
310.22559	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	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.91263	2.4
53.03942	7.6
55.01861	8.3
55.05517	19.2
57.03421	5.8
57.07057	5.0
63.25191	2.4
67.05505	32.9
69.07070	19.5
70.02767	11.8
72.13268	2.5
79.05493	33.8
81.03433	3.6
81.07050	51.4
83.04945	5.4
83.08607	7.4
84.20873	2.6
90.80474	2.7
91.05482	40.4
93.07044	65.2
95.04967	52.0
95.08596	39.1
97.06534	16.5
103.05457	5.2
105.07033	82.6
107.04944	4.6
107.08588	30.9
109.06505	12.3
109.10156	23.6
115.05458	5.3
117.06987	14.6
119.07713	4.2
119.08576	67.8
121.06503	9.6
121.10146	100.0
123.08044	11.7
123.11694	8.5
128.06209	9.5
129.06985	12.2
130.07762	5.2
131.08569	35.2
133.09282	3.7
133.10141	42.2
134.10548	2.7
135.08072	4.8
135.11670	9.9
137.09634	3.6
141.06952	7.5
142.07805	15.0
143.08553	28.1
143.44714	2.8
144.09297	9.8
145.06483	4.3
145.10120	43.3
147.08046	6.5
147.11661	11.0
149.09590	5.6
155.08551	9.3
156.09299	6.3
157.10130	39.1
159.08095	3.7
159.11664	39.5
161.09628	11.8
161.13257	8.0
167.08597	6.4
168.09293	5.1
169.10153	17.2
171.11644	21.6
173.13290	19.6
175.11188	4.3
175.14781	10.2
181.10123	8.8
182.10887	4.6
183.11668	18.1
185.13261	10.0
187.11229	10.1
187.14845	17.0
189.12659	5.4
193.10216	4.4
194.10966	3.2
195.11707	7.7
197.13268	12.4
199.14783	11.3
206.10844	3.6
209.13257	9.8
211.14841	8.8
211.94769	2.8
213.16396	5.7
223.14671	4.2
225.16344	5.5
235.14828	6.6
239.17900	3.2
249.16573	3.8
253.15825	3.4
253.19579	5.2
265.19690	3.8
267.17374	3.2
281.22345	6.2
291.20926	8.6
309.22128	83.7
309.25656	5.9
309.29730	6.1
310.22382	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.69765	1.7
53.03931	2.1
54.41653	1.5
55.01861	5.8
55.05511	20.9
57.03429	6.4
57.07062	3.4
57.75428	1.6
65.03919	2.3
67.05503	49.5
69.07066	20.9
69.18511	11.6
69.18940	6.5
71.04979	4.2
71.08253	3.0
71.08632	48.1
73.06585	1.7
79.05027	2.6
79.05492	47.7
81.03419	9.9
81.07059	48.4
82.94290	1.9
83.04974	14.7
83.08627	8.5
85.06519	2.1
91.05488	31.2
93.07047	57.0
95.04967	16.2
95.08607	36.5
97.06516	13.1
97.10165	5.3
99.08099	42.6
105.07025	19.5
107.04952	6.9
107.08596	30.7
109.06542	4.1
109.10147	15.2
111.04436	3.0
111.08073	5.0
113.09640	2.8
117.06995	4.4
119.08562	15.3
121.10143	31.3
123.04427	5.3
123.08047	3.6
123.11684	2.0
125.09631	3.2
127.11143	1.8
130.44498	1.8
131.08571	7.5
133.10114	12.9
135.08041	3.5
135.11687	37.6
137.09592	5.3
137.13185	2.1
139.11209	1.8
141.09100	3.7
143.08598	2.7
145.10104	6.3
147.11734	5.0
149.13252	11.6
151.11162	17.0
153.09212	1.5
153.12672	2.1
157.10022	2.1
159.11659	5.0
161.13216	11.4
163.11176	9.3
163.14818	3.3
165.09189	1.9
167.10655	3.3
173.13216	2.9
173.29341	1.8
175.14810	2.1
177.12732	4.5
179.14307	100.0
180.70924	1.7
181.12163	2.1
185.13242	2.8
185.29308	1.6
189.12730	2.4
195.13658	1.8
207.17432	4.6
221.15344	3.4
231.17424	2.0
235.13269	3.0
235.16920	5.0
241.19542	4.0
259.20563	4.6
277.21613	51.9
291.19553	5.4
291.22949	2.0
309.16934	2.8
309.20584	4.0
309.24228	2.3
309.32385	2.1
314.71115	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	309.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.9
55.01860	2.1
55.05511	11.0
56.96556	2.2
57.03436	1.5
57.07074	7.4
67.05505	16.2
69.07070	40.4
70.56274	1.1
70.56625	2.6
71.05010	2.0
71.08626	2.3
74.48170	0.8
79.05495	7.4
81.03413	1.7
81.07059	17.0
83.05000	2.1
83.08620	11.8
85.06559	1.1
85.10202	1.1
88.94798	0.8
91.05481	8.5
93.07046	11.3
95.04975	2.6
95.08608	28.2
96.08990	1.3
97.06529	2.3
97.10184	3.9
98.21496	1.2
99.08096	2.7
105.07040	8.2
107.04990	2.3
107.08593	8.0
109.06518	2.5
109.10157	14.9
111.04450	3.2
111.08092	1.5
111.11722	3.1
115.05464	1.2
117.07037	5.7
119.08604	9.4
121.10139	6.3
123.08060	2.7
123.11671	4.5
125.09650	1.4
125.13250	1.8
128.06244	3.9
129.06990	8.0
130.07756	1.8
131.08560	22.4
133.10135	4.3
135.08102	2.5
135.11697	1.6
137.09651	1.9
137.13257	12.5
141.07002	2.6
142.07777	15.1
143.08565	13.8
144.09340	12.2
145.10126	12.5
147.08078	1.5
147.11710	2.7
149.09657	1.3
151.14818	1.1
153.07010	0.9
155.08522	7.5
156.09387	5.2
157.10133	80.3
158.10866	2.0
159.11696	97.5
160.12057	1.7
161.09515	1.1
161.13289	1.5
163.11185	1.7
165.09164	3.9
165.12770	1.1
166.07748	1.0
167.08595	2.4
168.09410	2.3
169.10130	9.8
171.10368	0.8
171.11694	22.2
173.13261	22.1
175.11253	1.5
175.14777	1.4
181.10173	5.1
182.10970	3.8
183.11696	15.7
183.13266	1.1
185.13258	14.7
187.14839	2.1
195.11749	2.9
196.12511	2.0
197.13248	18.3
198.13768	1.0
199.14832	4.5
201.16504	1.0
209.13145	1.6
210.14037	1.4
211.14836	11.9
213.16478	2.1
223.14790	1.9
224.15565	0.9
225.16379	4.7
227.17923	1.9
228.63560	1.0
235.14764	1.0
239.17990	8.3
245.19064	1.2
253.19472	4.5
263.02850	1.0
263.20139	2.9
266.20334	2.3
267.21078	10.9
273.18488	3.1
277.21796	1.0
291.19513	14.2
291.22681	1.7
292.19949	1.1
293.30042	1.0
309.20990	3.7
309.25793	100.0
310.26160	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	311.1277
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01859	2.0
56.96561	0.9
65.99198	0.8
66.04720	1.2
67.05492	1.3
69.03424	1.0
69.07073	1.0
69.84039	5.0
79.05495	4.6
81.07064	4.0
87.04436	1.2
91.05497	5.8
93.07042	1.8
94.04178	6.2
94.73442	0.8
95.04965	1.9
95.08621	1.7
97.06522	2.2
103.05462	2.4
105.07027	7.8
107.04951	2.3
107.08577	1.3
109.06541	5.3
109.10163	1.2
115.05444	2.7
121.06499	1.5
122.03635	10.7
125.09601	0.9
128.06216	3.0
129.06987	5.9
131.04922	2.9
131.08585	2.1
133.06505	7.7
135.04388	2.4
137.05977	100.0
138.06355	0.9
144.05678	3.9
145.06479	1.9
147.08028	1.1
149.05965	6.0
151.07498	1.7
155.04910	6.1
156.05675	1.6
159.08072	9.1
161.05989	15.3
165.07027	3.2
167.07021	1.2
167.08531	1.0
171.04379	1.0
172.05200	3.4
175.07500	4.5
178.07751	1.5
179.08572	2.7
179.64040	0.8
180.09401	1.0
187.07542	33.8
188.07936	0.9
189.06982	7.1
189.08728	1.2
190.07767	24.0
191.08557	53.4
192.08913	1.1
194.07214	1.4
201.07072	1.7
202.07782	3.0
203.08577	2.4
205.06500	3.6
207.08023	6.7
208.08820	6.1
209.09543	1.3
218.07260	18.0
219.08046	71.9
220.08693	6.8
221.05986	3.8
221.09412	1.2
223.11127	1.4
225.09102	1.5
229.07643	1.4
233.09561	2.1
235.07545	10.7
236.08322	15.8
237.09036	3.7
246.06859	2.3
247.07542	30.3
248.08176	4.5
249.05585	1.4
250.09912	1.8
251.10669	94.2
252.11020	3.5
253.08630	6.1
261.09103	5.3
263.06836	1.6
264.07788	7.9
265.08600	3.2
265.12317	1.1
267.10095	1.1
268.07367	1.6
268.10840	1.5
279.10153	78.5
280.10727	7.1
281.08084	8.9
283.09921	0.9
283.13318	2.1
293.21021	1.0
295.09683	1.0
296.10349	9.4
297.10635	0.9
311.12781	81.9
312.13156	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03935	4.5
55.01860	20.4
55.05510	43.6
57.03427	5.8
57.07057	19.0
67.05504	100.0
69.03429	8.2
69.07072	52.5
70.76160	14.8
71.04977	9.7
71.08616	6.8
72.85156	5.2
79.05505	42.1
81.03406	17.6
81.07059	69.5
83.04560	4.6
83.04968	28.3
83.08607	18.0
85.06560	8.2
85.10108	4.4
91.05495	24.1
93.07043	48.8
95.04955	27.0
95.08601	44.0
97.06521	14.6
97.10168	20.8
105.07049	26.4
107.04952	15.1
107.08595	34.8
109.06511	8.1
109.10137	48.8
111.04436	11.6
117.07041	10.2
119.08572	20.7
121.06559	5.5
121.10124	23.2
123.08041	15.7
125.09625	23.0
129.07016	5.1
131.08551	13.5
133.10147	16.9
135.08055	13.3
135.11664	10.1
137.09596	22.3
139.11142	11.3
143.08551	6.9
145.10100	15.6
147.08029	7.6
147.11688	10.2
149.09634	14.2
149.13249	6.3
151.11176	8.6
153.05493	6.6
155.10667	7.5
159.11635	7.4
161.09665	5.0
161.60779	4.9
163.11179	6.3
171.11847	6.0
173.13208	6.1
185.13222	9.3
187.13342	5.5
189.11255	10.8
193.05074	5.0
209.11816	38.0
223.13275	8.8
237.11247	36.2
237.14964	8.6
239.17839	5.0
251.16859	5.1
255.12421	5.8
257.19107	8.2
275.20120	49.1
293.21158	44.7
311.24323	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	311.2217
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	3.9
55.01874	12.3
55.05513	66.5
57.03436	2.7
57.07064	2.2
59.05013	2.6
65.03942	2.4
67.05511	42.0
69.03447	10.8
69.07074	15.6
71.05008	2.9
71.08635	19.1
71.20052	3.2
79.05493	29.9
81.03419	21.4
81.07059	39.8
83.04993	19.9
83.08622	48.1
85.02903	2.4
85.06522	3.3
87.04475	2.0
91.05479	19.5
93.07043	27.3
95.04967	37.4
95.08606	17.0
97.06551	8.2
97.10171	37.5
99.08097	24.0
101.09674	2.5
102.07609	1.8
105.07040	16.1
107.04976	7.6
107.08601	24.9
109.06524	6.3
109.10168	14.7
111.04466	12.0
111.08089	5.9
117.07030	7.2
119.08593	11.8
121.06461	1.9
121.10148	9.1
123.08071	4.0
123.11717	3.3
125.05968	2.0
125.09650	29.9
129.06993	3.0
131.08572	8.8
133.10129	9.7
135.08034	6.3
135.10832	1.8
135.11678	8.2
139.11240	3.1
145.10083	10.5
147.08052	2.5
147.11716	6.8
149.09637	12.0
149.13249	2.7
153.09074	4.9
153.12727	3.4
155.10515	1.9
157.10127	4.8
159.11671	4.8
161.09525	2.4
163.11192	49.4
165.12785	4.1
167.10684	6.2
173.13248	1.8
175.11150	3.7
177.12817	4.7
181.12248	4.5
185.11751	3.7
186.11432	1.8
189.11214	22.2
189.12752	2.3
191.10625	2.3
193.12248	14.5
195.13817	17.8
211.13322	10.1
223.13278	8.9
229.19476	3.2
247.20624	5.4
249.22168	2.0
257.19150	4.6
275.20074	27.5
276.20605	2.1
293.21103	100.0
294.21478	2.4
311.22287	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	311.2215
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03951	3.1
55.01864	10.3
55.05509	20.3
56.03130	1.9
56.96566	6.0
57.03434	5.2
57.07066	2.8
65.03944	2.0
67.05147	1.9
67.05505	34.8
69.03427	4.8
69.06697	1.9
69.07068	35.6
70.02697	7.5
70.03062	3.5
71.04986	5.3
71.08619	8.3
72.08151	4.7
79.05497	30.6
79.05941	3.0
81.03412	5.7
81.07057	30.9
83.04981	14.9
83.08640	10.0
85.02900	4.9
85.06543	5.0
91.05485	19.2
93.07044	28.0
95.04972	32.5
95.08611	27.4
97.06532	59.7
97.10163	8.5
98.06826	1.9
98.97589	1.6
99.04471	5.6
99.08098	4.0
105.07032	14.1
107.04948	5.1
107.08597	19.1
109.06516	7.2
109.10155	17.1
111.04443	13.8
111.08078	3.8
113.09589	2.5
115.05433	6.2
117.07029	7.7
119.08582	13.7
121.06520	4.5
121.10153	12.3
123.04390	1.8
123.08070	15.5
123.11703	4.4
125.09624	4.3
127.07533	2.2
128.06230	3.4
129.07021	7.4
130.07796	2.9
131.08577	15.3
133.10130	10.4
134.99606	2.0
135.08067	8.8
135.11685	6.8
137.05975	21.3
137.09587	5.8
139.11191	7.6
141.06982	24.7
141.12764	2.6
142.07797	2.4
143.00151	2.0
143.08600	5.7
145.06512	8.1
145.10132	7.5
147.04446	1.8
147.11697	4.3
149.09644	6.3
149.13260	3.0
151.11188	7.1
152.11496	2.4
153.07039	1.9
155.08607	3.7
155.10663	4.3
157.06497	5.0
157.10167	4.6
158.07271	3.6
159.08076	7.7
159.11702	9.0
161.09604	4.3
163.11203	2.7
167.08536	3.8
167.68427	2.0
168.05821	2.1
169.06476	11.9
169.10149	8.8
170.07253	2.2
171.04393	2.1
171.08110	3.0
171.11687	2.3
173.06007	5.2
173.11740	7.5
173.13225	4.3
175.11371	1.9
177.12787	8.1
179.14290	1.6
181.10138	2.6
183.07991	2.8
183.11705	2.0
183.13918	2.3
183.17592	1.7
185.05972	5.6
186.06750	11.8
187.07599	11.6
191.14423	2.5
192.08696	2.1
195.07996	3.1
195.13846	2.1
197.06071	5.7
197.09592	5.3
199.07596	2.2
201.12708	3.2
203.12773	4.2
205.08566	2.5
205.12097	1.8
211.07626	3.8
211.11195	4.7
213.05380	2.2
213.09111	5.4
214.06252	21.0
214.09851	3.8
215.06995	47.7
215.10553	14.6
216.07379	1.9
219.13742	2.9
223.11269	2.2
225.05444	4.8
225.09177	4.6
237.08904	2.0
237.14838	27.8
239.10606	2.3
241.08493	2.1
251.10837	1.9
255.10091	2.8
257.19113	3.0
265.12408	2.1
267.13940	3.9
269.08054	4.3
269.11600	2.3
275.20050	24.2
279.10223	2.1
283.13391	2.1
293.15085	2.5
293.17886	3.4
293.21121	45.4
311.12769	100.0
311.16409	26.8
312.12997	8.6
312.18011	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.01466	2.1
53.03938	2.2
55.01870	6.1
55.05513	34.3
57.03419	8.1
57.07078	4.1
57.34606	2.2
57.67932	2.4
65.31660	2.7
67.05505	80.4
69.03413	8.6
69.07076	14.9
69.71344	9.1
69.71750	5.1
71.04992	18.4
71.08633	57.2
75.14352	2.3
79.05492	24.7
81.03419	11.8
81.07054	29.7
83.04979	21.4
83.08611	11.1
85.02889	13.3
85.06535	6.3
91.05485	23.9
93.07046	36.6
95.04981	14.6
95.08609	70.1
97.06524	7.3
97.10166	8.8
99.04469	3.2
99.08089	36.0
105.07018	8.5
107.04945	3.7
107.08584	11.3
109.06499	5.5
109.09415	3.0
109.10156	58.6
111.08087	4.0
113.06049	2.6
117.07008	6.6
119.08581	17.4
121.10115	6.9
121.95705	2.4
123.08072	7.8
125.09639	8.2
127.11198	6.7
131.08556	6.8
132.73091	2.3
133.10115	13.2
135.08037	2.9
137.09624	23.4
139.11179	53.8
143.72958	2.4
148.50427	2.7
149.13290	3.1
151.11191	32.6
154.22025	2.6
155.10677	55.8
159.11668	4.7
161.09610	18.8
163.11124	3.0
165.12825	6.0
171.11714	9.7
173.11714	20.4
177.12787	18.3
179.10677	8.3
191.14304	6.6
195.13861	6.1
229.19525	4.6
247.20638	6.1
257.18930	8.3
265.21652	4.1
275.20050	29.0
293.21091	100.0
311.22363	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	311.2215
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03954	4.4
55.01863	10.5
55.05516	23.3
59.70839	3.9
60.29987	3.6
67.05515	28.0
69.07068	37.3
69.39406	7.4
69.39814	25.1
71.08633	5.0
79.05489	24.3
81.03409	11.2
81.07063	40.5
82.76009	3.9
83.04983	18.0
83.08611	4.9
85.06552	4.8
91.05465	13.6
93.07034	26.8
95.04966	72.6
95.08591	17.0
97.06530	10.5
97.10158	5.0
98.20810	8.7
99.04471	10.4
105.07023	13.1
107.04995	7.3
107.08578	16.5
109.10129	7.5
110.09693	3.9
111.04447	29.9
117.06986	7.4
119.08610	5.5
121.06505	10.7
121.10138	18.8
123.08063	6.6
125.09624	4.4
125.43336	3.8
126.96028	4.3
131.08537	11.7
133.10132	13.2
135.08055	19.5
135.11650	4.0
139.11153	9.6
145.10097	8.4
147.11708	4.2
149.09669	5.5
157.10109	4.4
159.11720	11.2
163.11179	7.1
166.35408	3.7
177.12764	10.8
201.12741	7.3
203.12810	4.4
219.13857	5.5
237.14845	85.4
255.84932	4.0
275.20050	56.3
293.21106	100.0
311.22171	17.5
327.10669	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.29963	2.7
53.00301	4.0
53.03928	3.9
55.01860	10.3
55.05276	2.9
55.05513	35.2
57.03412	6.9
57.07055	3.5
59.04997	3.5
59.97075	2.7
67.05508	82.5
69.03417	9.5
69.07072	15.7
71.01601	3.6
71.01951	5.3
71.04987	14.9
71.08632	59.9
79.05485	26.9
81.03410	7.2
81.07059	33.7
83.04977	22.5
83.08633	13.4
85.02898	6.1
85.06548	4.4
91.05479	28.4
93.07049	30.7
95.04974	18.2
95.08613	59.5
97.06528	9.3
97.10138	8.2
99.04456	4.4
99.08100	37.1
105.07008	8.1
107.04969	3.3
107.08590	12.7
109.06503	3.4
109.10164	69.5
111.08109	5.5
117.07011	6.4
119.08571	18.6
121.10117	11.1
123.08045	7.2
125.09643	5.5
127.11153	6.3
131.08557	6.7
133.10139	12.9
135.08022	4.6
135.11612	6.2
137.09633	17.6
139.11172	55.5
140.11423	2.8
142.24278	2.6
145.10109	5.4
147.11633	3.0
149.09625	4.4
151.11194	35.2
155.10670	39.0
159.11685	8.5
161.09616	11.8
165.12764	5.3
173.11743	36.0
177.12767	19.2
179.10628	5.6
191.14325	5.3
195.13820	8.8
229.19533	6.4
241.39204	2.7
247.20587	5.7
257.19064	7.3
265.21585	22.5
275.20032	29.7
293.21097	100.0
293.24371	5.7
294.21475	3.3
311.22171	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03932	2.7
55.01868	4.3
55.05504	17.3
55.77140	1.8
57.03424	3.2
57.07061	7.3
62.17118	1.6
67.05503	40.1
69.03423	4.6
69.07059	7.1
69.95520	3.6
69.95885	8.5
70.88552	1.9
71.04987	12.9
71.08623	25.4
79.05489	10.2
81.03386	4.1
81.07043	11.7
83.04972	6.9
83.08605	2.2
85.02911	18.0
85.06538	2.2
88.94572	1.5
91.05476	15.6
93.07047	21.3
95.04959	12.2
95.08604	100.0
97.06528	3.3
98.20772	2.1
99.04455	4.5
99.08094	18.9
101.06009	3.7
105.07011	5.9
107.04966	1.8
107.08622	1.9
109.02854	1.8
109.06519	3.3
109.10156	30.8
111.04443	5.1
111.08067	2.5
113.06004	4.3
117.07070	1.7
119.08572	19.5
121.10115	2.4
123.08067	15.1
124.71801	1.9
127.11167	6.6
131.08551	4.7
133.10115	22.0
135.11659	2.6
137.09634	24.1
139.11102	1.8
147.11826	2.1
150.25417	1.8
151.11188	27.5
153.05501	3.6
155.10661	90.5
159.11775	4.1
161.09595	2.9
177.12775	5.5
183.13791	4.2
191.10725	3.1
209.11777	15.2
212.69556	1.8
215.19984	1.8
223.13228	1.9
229.19485	3.0
237.11169	11.4
247.20605	5.0
251.20050	9.2
255.12296	2.4
265.21634	2.9
268.70612	1.8
275.19995	14.3
278.79266	1.5
293.21069	66.3
294.21445	2.5
311.74567	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	311.2215
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03943	6.5
55.01862	6.1
55.05515	37.7
57.03433	11.8
57.07077	6.9
62.78933	3.2
65.56260	2.8
67.05505	45.0
67.12787	2.7
69.03433	5.3
69.07078	35.9
69.48351	22.1
71.08602	3.4
79.05498	24.4
81.03415	18.8
81.07060	43.4
83.04985	6.7
83.08627	18.1
85.06516	3.5
91.05489	13.8
93.07046	29.2
95.04961	14.6
95.08633	24.6
97.06525	11.3
97.10159	11.2
98.20802	7.2
100.82889	2.9
105.07048	17.2
107.04932	6.2
107.08606	16.3
109.06506	11.9
109.10159	26.3
117.07056	4.8
119.08576	13.7
121.06497	7.5
121.10129	11.4
123.08056	9.7
123.11712	4.6
125.09624	9.8
131.08565	9.8
133.10164	11.4
135.11720	10.1
137.09634	31.8
139.11267	3.8
145.10149	8.8
147.11662	13.0
149.09537	4.7
149.13377	4.9
151.11209	7.4
163.11208	5.4
171.11765	3.2
173.11751	9.8
173.13237	6.0
209.11676	5.5
219.13799	4.9
257.19025	15.1
261.95663	3.1
265.21805	4.0
275.20081	100.0
280.86649	3.5
293.21078	43.0
311.25806	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	311.2215
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03948	24.4
55.01870	11.1
55.05511	64.3
57.03423	7.0
57.07077	17.7
59.05005	2.8
65.03925	3.1
67.05504	100.0
69.03429	12.2
69.07069	24.8
71.04980	8.2
71.08627	5.6
71.20055	2.4
71.20402	3.1
79.05491	43.4
80.05840	2.2
81.02940	3.8
81.03418	71.9
81.07055	61.3
83.04980	10.2
83.08616	28.6
85.06525	11.1
91.05479	57.5
92.30482	2.3
93.06501	3.5
93.07044	47.6
95.04965	44.1
95.08607	53.5
97.06517	8.2
97.10163	32.1
99.08079	5.9
103.05469	2.4
105.07033	40.8
107.04949	16.3
107.08602	27.4
109.06526	13.6
109.10159	48.7
111.04430	3.9
111.08045	4.8
116.06229	2.0
117.07041	15.2
119.08581	35.2
121.06496	9.5
121.10174	11.8
123.08060	8.5
123.11674	5.6
125.09635	25.4
127.03079	2.1
127.26661	2.0
129.06960	3.8
131.08549	17.8
133.06543	2.6
133.10135	24.4
134.10486	2.1
135.08054	7.5
135.11671	7.8
137.09616	86.4
139.11142	3.9
143.08563	2.4
143.10689	2.6
145.10110	9.2
147.08029	6.4
147.11653	10.3
149.09622	10.8
149.13275	2.8
151.07552	5.6
151.11174	12.5
153.09137	2.7
155.10686	4.6
159.11678	8.1
161.13261	3.1
163.11192	6.4
165.09135	6.0
165.12781	2.7
169.10120	2.5
171.11674	3.1
173.11714	22.2
173.13199	6.0
177.12717	5.8
179.10683	2.7
181.12253	3.5
183.11707	3.4
187.11182	3.2
189.11214	15.0
191.10483	2.7
191.14299	3.4
209.11638	10.3
223.13242	4.9
229.19598	4.8
233.83684	2.0
237.11200	8.7
247.20551	5.9
257.19022	6.0
275.20053	82.7
276.20370	2.8
293.21088	93.8
311.17654	15.4
311.21844	6.6
311.25693	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	311.2213
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03931	2.6
55.01869	9.0
55.05510	14.1
57.03428	3.9
57.07070	7.7
65.03941	1.7
67.05500	43.3
69.03422	2.4
69.07067	16.0
69.85388	7.7
71.04981	4.7
71.08622	4.0
71.37661	1.3
79.05494	17.4
81.03429	8.6
81.07047	26.6
83.04984	5.1
83.08608	4.8
85.10167	4.1
91.05469	13.2
93.07039	25.1
95.04959	7.1
95.08601	100.0
97.06568	8.1
97.10163	4.4
99.08082	4.0
105.07043	9.4
107.04931	2.8
107.08590	9.6
109.06528	1.9
109.10164	14.7
111.04499	1.5
111.08096	3.3
113.09642	3.6
117.07042	3.6
119.08616	7.9
121.06494	1.8
121.10111	7.2
123.08080	4.9
123.11704	3.0
125.09652	5.9
131.08553	4.7
133.10085	7.1
135.07990	2.5
135.11700	4.8
137.09619	2.5
141.09093	5.3
145.10101	4.6
147.11621	3.8
149.09584	2.5
149.13297	1.5
151.11168	6.1
153.12674	1.8
159.10159	37.7
159.11537	3.5
161.13281	2.3
163.11211	1.7
165.09102	3.3
165.12801	3.0
166.09357	2.6
167.09544	2.6
173.13226	3.1
177.12697	3.2
191.14264	1.8
209.11717	5.7
229.19542	2.4
237.11253	4.8
247.20647	3.2
257.18817	2.6
259.16733	1.5
265.21631	66.4
266.21893	2.1
275.19986	10.9
293.17090	3.1
293.20737	9.9
311.17816	11.5
311.22171	8.6
311.25827	4.8
321.04303	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	311.2215
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.05504	6.8
57.07069	2.0
66.46105	1.5
67.05500	6.8
68.22022	1.3
69.98042	6.6
71.08633	11.9
79.05498	3.7
81.07065	5.5
83.08620	3.4
85.43620	1.4
91.05496	3.3
93.07050	2.7
95.04958	2.8
95.08611	5.7
97.10172	3.0
99.08115	5.0
102.84203	1.4
105.07046	2.7
107.08598	3.1
109.10124	1.7
120.37135	1.4
121.06524	3.7
121.10124	1.7
125.09635	2.1
131.08607	1.7
133.10089	2.1
136.12642	1.5
145.10147	2.3
147.11597	1.8
165.12819	1.5
171.21777	1.8
177.12630	1.9
250.49785	1.5
272.36288	1.6
275.20078	6.3
293.21103	100.0
294.21475	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.94905	0.5
55.01863	2.3
55.05247	0.7
55.05511	12.8
57.03430	0.9
57.07069	2.4
67.05502	8.7
69.03417	1.7
69.07068	4.6
69.76949	2.1
69.77366	1.0
71.08629	10.7
79.05495	5.5
81.03433	0.6
81.07054	7.8
83.04967	1.5
83.08616	6.0
85.06509	0.4
87.48463	0.4
88.82487	0.6
91.05484	2.7
93.07045	4.9
95.04974	3.4
95.08609	5.4
97.06480	1.1
97.10167	9.7
98.20846	0.8
99.08086	6.8
105.07027	2.4
107.04960	2.3
107.08595	5.0
108.05713	1.0
109.06525	1.6
109.10185	2.4
111.04420	1.9
111.08081	1.0
117.07007	1.4
119.08556	1.9
121.06500	6.7
121.10110	1.6
123.08058	1.1
125.09618	7.4
131.08554	1.3
133.06514	0.5
133.10126	1.5
135.04385	0.6
135.08067	1.0
135.11684	1.0
137.09642	1.0
139.11147	1.0
145.06427	0.5
145.10152	0.6
149.09593	0.8
151.11125	2.4
153.05464	1.4
153.09128	0.5
155.08533	0.5
159.11708	0.7
161.09605	0.6
163.11163	1.1
164.12007	0.8
165.12752	1.1
167.10663	0.8
171.10258	0.4
176.12636	0.5
177.12735	2.1
179.12338	0.5
181.12183	0.7
187.11140	0.6
189.11232	4.1
191.10684	0.5
209.11690	4.7
237.11172	4.7
237.14836	0.6
247.20525	1.5
255.12405	0.7
257.19016	1.4
265.21640	0.9
275.20084	7.2
293.21094	100.0
294.21497	2.7
311.17041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03924	10.6
55.01877	76.1
55.05511	58.1
57.03412	6.2
57.07072	11.4
57.36255	6.0
59.12013	6.6
61.17331	5.5
67.05192	8.6
67.05506	96.8
69.07070	31.9
70.76052	14.8
71.04980	9.9
71.08616	28.4
79.05167	4.4
79.05497	49.2
81.03393	13.8
81.07048	68.7
83.04972	12.8
83.08609	18.2
85.02900	7.3
85.06536	7.2
89.30739	8.6
91.05486	40.8
93.07030	48.5
95.04970	33.8
95.08603	100.0
97.06544	9.4
97.10157	16.8
99.08098	15.1
105.07012	23.1
107.04923	26.6
107.08587	26.2
109.06485	15.2
109.10159	41.8
111.04415	13.1
117.06980	20.1
119.08580	40.8
121.06451	7.8
121.10133	21.1
123.08056	20.3
125.09632	90.6
131.08540	18.1
133.10159	17.0
135.08047	24.9
135.11682	14.0
137.09639	39.4
139.11180	10.1
145.10104	13.6
149.13216	12.6
151.11166	46.2
155.10654	24.6
159.11687	28.3
161.13272	13.4
163.11113	11.2
167.10704	11.4
177.12726	36.1
181.12234	21.3
191.14345	15.6
195.13651	7.7
209.11507	6.9
224.52803	5.7
229.19522	8.9
247.20576	16.3
257.18936	21.9
260.03946	7.5
275.20096	68.7
290.82370	6.4
293.21097	78.3
299.75388	7.4
311.22034	10.1
311.27206	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	311.2216
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	2.6
55.01875	17.9
55.05513	70.5
57.03174	1.6
57.03436	22.9
57.07077	28.4
59.13626	1.0
62.33847	1.0
62.94158	1.0
66.93750	1.0
67.05507	25.7
69.03426	1.8
69.07069	67.6
69.86538	4.3
69.86952	2.7
71.04982	2.3
71.08631	19.5
71.09008	1.7
79.05494	15.5
81.03401	1.8
81.07058	25.9
83.04971	5.1
83.08621	57.2
83.94419	1.1
85.06508	3.0
85.10191	7.6
91.05502	9.3
93.06493	2.0
93.07041	19.8
95.04939	5.1
95.08614	21.6
97.02937	1.1
97.06540	8.2
97.10170	41.5
99.08039	2.2
101.06039	1.8
105.07024	5.4
107.04943	4.6
107.08589	10.8
109.06491	2.7
109.10147	10.9
111.04414	2.2
111.08073	4.9
111.11723	11.4
114.93114	1.5
117.07010	2.4
119.08600	7.9
121.06493	2.7
121.10143	12.5
123.08054	3.5
123.11713	2.8
125.09629	17.7
125.13237	3.6
131.08553	3.5
133.10153	3.6
135.04428	2.4
135.08057	3.9
135.11682	8.2
137.09636	7.0
137.10495	1.1
137.13252	1.8
139.11157	2.9
145.10126	3.5
147.11696	1.3
149.09631	2.7
149.13231	5.4
151.11244	6.3
153.12733	2.2
159.11694	3.4
161.09592	2.0
163.11229	2.9
163.14832	2.3
165.12648	1.2
167.10606	2.8
168.96484	1.2
169.09984	1.5
173.13257	2.0
177.12769	5.5
181.12231	1.5
187.11232	1.6
187.14883	1.4
191.14354	2.8
195.13751	2.6
209.11684	2.4
229.19415	2.0
237.22025	1.8
247.20554	3.4
257.18930	4.9
265.21606	1.8
275.20071	14.5
293.21100	19.4
311.25793	100.0
312.26135	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03941	1.8
55.01870	7.2
55.05249	1.1
55.05511	20.3
56.96538	1.7
57.03437	4.4
57.07070	3.1
59.05006	5.0
65.03934	2.8
65.58939	1.1
66.30125	1.0
67.05507	100.0
69.03419	6.3
69.07069	12.4
69.19088	9.2
69.19496	2.2
71.04990	17.3
71.08634	17.4
79.05491	17.8
81.03416	3.0
81.07056	30.3
82.07373	1.4
83.04984	10.0
83.08614	12.0
85.02917	2.3
85.06542	3.1
91.05484	14.5
93.05823	1.1
93.07047	27.6
95.04981	8.0
95.08611	74.1
97.06532	12.0
97.10161	7.3
99.04496	1.2
99.08106	13.5
99.68847	0.9
101.05973	1.2
105.07021	7.2
107.04939	1.5
107.08595	10.9
109.06535	3.4
109.10160	73.6
110.10435	1.3
111.04418	1.3
111.08062	4.3
111.11684	1.1
115.05459	2.5
116.98528	1.4
117.06995	3.3
119.08582	12.6
121.06490	1.5
121.10136	12.5
123.08067	3.5
123.11700	2.5
125.09650	5.3
127.11205	2.8
129.07027	3.7
131.08568	7.9
133.10126	7.5
135.08083	2.1
135.11694	8.0
137.09625	8.0
139.07610	1.2
139.11189	16.2
141.07013	9.0
143.08487	1.6
145.10135	3.1
147.11668	3.4
149.09615	2.6
149.13271	4.1
151.11188	10.6
155.10661	14.7
157.10126	1.8
158.07314	1.5
159.11676	4.2
161.09602	2.5
163.11208	1.4
165.12776	1.9
168.11011	1.2
169.06479	3.6
169.10112	1.9
173.11746	60.7
173.13158	2.7
174.12207	1.5
177.12767	4.1
177.16386	4.2
179.10707	3.0
186.06812	2.3
187.07472	2.4
189.11195	3.4
191.14316	1.3
195.13770	1.8
195.17383	2.0
211.11243	2.0
214.06297	7.4
215.07022	19.2
215.10449	1.3
229.19565	2.4
237.14645	1.0
239.18150	1.1
247.08191	1.0
247.20561	5.2
257.19031	2.8
265.21716	7.7
275.16541	1.9
275.20035	11.5
293.21109	37.2
307.95331	1.2
311.12793	27.6
311.16245	2.4
311.18976	1.1
311.22284	7.1
312.13162	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03936	5.6
55.01872	67.5
55.05511	36.3
56.96549	5.0
57.03408	2.9
57.07078	26.7
59.05010	2.8
65.12881	2.8
67.05504	62.6
69.03426	5.5
69.07065	49.3
70.47726	13.3
71.01321	2.6
71.04993	21.9
71.08625	9.6
79.05492	57.8
80.05845	4.1
81.03402	5.2
81.06609	3.8
81.07056	49.3
83.04980	60.7
83.08617	21.6
85.02892	6.0
85.06567	3.7
91.05479	31.0
93.07040	61.6
95.04981	11.7
95.08613	50.1
97.06528	100.0
97.10178	17.6
99.08081	5.3
105.07030	25.1
107.04962	11.5
107.08583	39.1
108.05268	4.3
109.06524	10.4
109.10160	30.9
111.04426	13.4
111.08099	10.1
113.05981	21.8
113.09664	3.7
117.07038	12.6
119.08603	25.5
121.06508	7.2
121.10147	27.3
123.08070	4.4
123.11667	4.2
125.05985	9.9
125.09631	43.8
129.06976	5.2
131.08551	15.4
133.10135	16.4
135.04340	3.0
135.08049	12.3
135.11710	13.5
137.06013	4.0
137.09572	9.7
139.11169	21.5
141.00926	2.9
141.07027	3.5
143.07060	3.2
143.08621	3.7
145.10153	18.1
147.07841	2.9
147.11714	8.0
149.02367	7.6
149.09622	13.6
149.13220	3.8
151.11197	7.2
153.05524	5.4
153.12761	11.6
155.10658	5.0
157.10094	5.4
159.11696	17.7
161.09692	4.4
163.11174	21.7
167.10703	13.1
169.10100	5.2
171.11649	3.9
171.28911	3.2
173.11699	3.6
173.13162	5.4
177.12813	5.4
179.14325	5.0
181.12247	13.8
187.11227	4.6
189.11195	7.6
191.10709	8.9
191.92146	3.4
193.04979	8.3
195.13655	4.3
197.13260	5.8
203.12788	11.6
207.13315	3.0
209.11708	57.1
209.13441	5.4
233.15199	3.1
237.11211	47.1
239.17972	4.9
247.20334	6.6
255.12347	7.9
257.18900	7.2
265.21609	7.5
275.20056	57.9
293.17609	3.2
293.21027	84.8
294.21622	6.0
311.12723	7.5
311.21869	7.2
311.24670	10.0
329.13910	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	311.2214
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03946	17.4
55.01870	14.8
55.05249	3.0
55.05510	50.2
56.94750	1.7
56.96564	3.2
57.03420	6.3
57.07062	7.3
59.04994	3.9
60.77945	1.9
65.03923	2.2
67.05502	100.0
69.03424	10.4
69.07059	23.0
71.04983	8.1
71.08631	25.4
71.49647	1.9
71.50073	2.3
79.05495	42.5
81.03418	53.8
81.07050	51.6
82.07397	2.1
83.04973	17.6
83.08627	25.2
85.02877	5.7
85.06539	7.2
87.04462	2.5
91.05473	41.5
93.07034	39.7
95.04964	38.5
95.08604	57.4
97.06522	11.6
97.10159	27.3
99.08080	16.8
105.07037	24.6
107.04947	11.4
107.08592	24.8
109.06501	10.7
109.09402	2.7
109.10151	55.1
111.04421	4.2
111.08057	8.6
113.06004	3.5
117.07001	8.8
119.08579	31.0
121.06498	4.3
121.10159	12.9
123.08101	5.2
123.11707	4.1
125.09618	18.0
127.03102	2.8
127.11217	2.7
129.07028	4.2
131.08556	12.3
133.10130	11.1
135.08060	4.7
135.11662	6.5
137.08556	3.7
137.09612	59.2
139.11180	24.3
141.07001	2.2
143.08490	2.8
145.10091	11.3
147.08037	3.1
147.11696	9.8
149.09583	9.2
149.13206	4.1
151.11176	16.2
153.09042	3.2
155.10643	21.4
157.10143	6.1
159.11687	10.2
161.09618	5.8
161.13237	4.4
163.11186	5.9
163.14809	2.0
165.09079	4.4
165.12708	5.0
167.10625	3.9
169.07751	2.8
169.10098	3.4
171.11693	2.6
173.11717	23.0
173.13205	5.1
177.12735	9.5
179.10651	5.6
181.12206	3.0
183.11617	3.4
185.00713	2.2
187.11169	2.5
187.14838	3.8
189.11212	9.3
191.14256	2.3
195.13753	3.7
203.12753	3.0
215.07036	5.5
223.13229	3.2
229.19540	3.9
233.15652	1.9
239.14560	2.0
239.17894	4.1
247.20531	6.9
257.18921	8.7
265.21634	4.0
275.20044	53.6
275.22867	4.2
293.21100	94.9
301.01428	1.9
311.12625	8.8
311.16342	3.7
311.19708	4.0
311.22620	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	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.01858	2.8
55.05514	65.6
56.96552	1.3
57.03168	1.3
57.03439	25.6
57.06804	1.2
57.07077	25.5
67.05503	10.3
69.07072	70.7
69.22930	9.7
70.07401	1.1
71.08638	18.4
73.02908	2.0
79.05489	7.3
81.07067	12.0
83.04985	1.2
83.08620	58.5
85.10199	7.6
91.05449	1.4
93.07027	7.0
95.08602	10.1
97.06538	5.1
97.10171	42.7
107.08634	5.2
109.10154	3.9
111.08080	2.1
111.11719	11.1
121.10136	8.4
123.11742	2.0
125.13278	2.3
134.94954	1.1
135.11716	6.6
137.13303	1.3
139.11223	1.3
143.84726	1.0
149.13284	2.8
163.14827	1.7
167.14265	1.2
201.20238	1.1
209.11790	1.6
219.21013	1.2
232.16748	1.2
237.22281	1.6
289.86841	1.0
311.25812	100.0
312.25955	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	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03929	1.5
55.01862	1.2
55.05513	55.1
57.03168	1.3
57.03436	23.0
57.07077	27.1
58.22882	0.8
67.05506	10.4
69.07068	60.7
69.74123	6.0
70.07412	1.0
71.08632	16.1
79.05502	5.9
81.06612	1.0
81.07055	12.3
83.04957	2.2
83.08619	54.1
85.10164	6.3
91.05452	1.3
93.07066	7.7
95.08602	11.3
97.06508	5.4
97.10169	36.6
98.20863	1.4
99.08104	1.5
105.07060	1.1
107.08560	7.0
109.10159	5.0
111.08092	2.8
111.11713	12.5
119.08591	2.2
120.50726	1.1
121.10126	8.6
123.11729	2.4
123.50435	1.1
125.09642	3.2
125.13245	2.8
135.11688	6.0
137.13239	1.0
139.11156	2.3
149.13280	3.1
159.11658	1.1
163.14761	1.6
181.00198	1.0
209.11725	5.1
219.21017	2.3
237.11208	3.8
293.20905	1.3
311.25797	100.0
312.26114	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	312.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
56.18515	0.2
56.96565	0.3
57.03429	0.3
61.02919	0.8
69.03428	2.2
69.81575	1.4
71.04983	0.3
73.02921	0.5
80.10712	0.2
81.03411	0.6
85.02908	3.6
87.04465	0.5
91.03958	0.3
95.06084	0.8
97.02875	1.4
98.20873	0.5
98.97583	0.6
99.04494	0.2
102.16001	0.2
108.05621	0.4
109.02860	0.5
109.05106	0.5
127.03923	0.8
132.08101	0.6
133.05096	8.4
136.07510	0.3
138.09238	0.2
145.05002	0.4
150.07747	100.0
151.08078	1.0
154.36049	0.2
186.25296	0.2
209.12891	0.7
223.60463	0.2
237.02821	0.3
237.80254	0.2
268.20187	0.5
273.98611	0.2
312.13016	23.5
313.13214	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	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01857	3.1
56.96556	1.9
57.03419	5.0
61.02920	7.1
69.03428	14.5
69.07082	9.3
70.06582	2.9
71.05006	2.2
71.17492	1.4
71.17858	3.2
73.02905	5.6
76.97135	1.2
81.03416	5.2
84.08121	2.0
85.02908	100.0
87.04443	2.7
87.08102	15.1
91.03958	6.6
96.02992	1.6
97.02895	24.8
98.97583	1.9
99.04441	7.3
105.09113	2.3
109.02903	8.9
120.08069	1.7
127.03915	23.6
133.08583	3.0
136.07477	1.7
142.02316	1.4
145.04965	42.2
147.04460	1.6
162.05495	1.6
163.06026	11.7
177.00629	1.5
312.14383	1.5
312.18051	4.3
331.97168	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	313.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87142	0.6
55.05494	0.9
55.46770	0.6
65.03934	1.0
67.05509	1.4
70.06578	2.6
71.09945	1.2
74.07484	0.5
79.05489	2.5
84.08150	11.2
89.85028	0.7
91.05484	30.7
92.05824	0.8
93.07027	1.5
94.06602	0.8
96.08128	3.2
105.07037	7.8
107.04942	1.0
107.08590	2.3
108.08141	1.2
108.42722	0.7
109.08889	0.9
110.09693	1.3
117.99505	0.6
119.04950	21.5
121.06552	0.6
121.10167	3.2
122.09669	6.6
124.11226	1.2
131.08604	0.9
133.10139	22.6
134.10501	1.1
135.04430	1.4
138.11719	1.2
138.12779	19.9
147.04413	100.0
148.04771	2.8
150.12790	45.6
151.13124	1.4
153.99237	0.5
163.94283	0.6
164.07083	3.5
165.13876	0.6
167.15446	60.9
168.15839	1.4
202.12294	1.5
245.80142	0.6
296.16486	10.2
313.19077	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
52.76056	2.4
53.03958	3.6
55.05514	9.4
60.63062	2.6
65.41682	2.5
67.05510	18.1
69.07063	8.3
69.97072	12.5
71.04977	3.6
71.08635	14.1
79.05499	12.6
81.03395	3.6
81.07055	16.0
83.04988	5.3
83.08607	5.5
91.05465	7.5
93.07042	13.9
95.04961	7.0
95.08620	19.2
97.06551	6.3
97.10123	3.1
98.21522	3.2
98.96767	2.5
99.08113	7.2
105.07036	4.7
107.08576	5.6
109.10155	6.5
119.08566	6.4
121.10143	7.3
133.10141	6.2
137.09607	4.7
151.11168	10.3
161.13100	2.8
163.11203	3.3
173.54877	2.7
179.14330	3.1
229.04732	2.9
277.21646	41.2
295.22675	100.0
296.22849	3.9
317.09381	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	313.2372
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
52.93286	3.8
55.01846	5.3
55.05512	21.7
56.96556	12.8
57.07065	12.9
57.81915	4.5
59.44305	4.2
67.05513	26.7
69.07059	20.3
69.75098	7.7
69.75513	19.5
71.08633	10.2
79.05480	19.7
81.03428	9.8
81.07048	35.4
81.59225	4.1
82.94951	3.9
83.04968	7.1
83.08629	8.0
85.06552	4.8
85.10161	11.2
90.66967	4.3
91.05497	19.1
93.07060	22.2
95.04973	14.6
95.08611	23.1
97.06541	22.2
97.10152	7.7
98.21507	9.3
105.07008	19.9
107.08581	19.5
109.06550	5.4
109.10149	17.9
113.09645	8.5
119.08581	13.5
121.10149	11.0
123.11649	4.4
125.09668	5.4
129.07053	7.9
131.08585	6.8
133.10143	13.0
137.37610	4.5
143.08577	5.5
145.10100	7.2
147.11673	5.6
149.09589	5.7
149.13310	6.1
157.10168	10.1
159.11674	8.5
161.09521	4.7
165.12773	12.6
171.11682	8.1
173.13196	5.2
181.10402	4.1
187.14912	5.5
211.14746	4.7
225.69777	4.6
241.12361	4.8
249.30556	5.5
277.21674	36.1
295.22665	100.0
313.14233	13.4
313.17810	13.6
313.21753	17.3
313.24966	10.9
331.17581	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	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.72210	4.8
53.03926	8.4
55.01849	5.5
55.05511	48.8
56.19188	3.7
56.96552	12.9
57.03426	10.3
57.07082	29.6
59.05027	5.0
65.64231	4.4
67.05188	5.7
67.05507	71.2
68.05836	7.8
69.03427	5.6
69.07053	26.7
70.07419	4.0
71.04971	9.3
71.08628	35.0
71.50018	7.0
79.05489	53.8
81.03416	20.4
81.07050	55.7
81.25515	4.4
83.04971	16.6
83.08604	16.4
85.06542	14.4
91.05486	70.7
93.07044	68.6
94.07342	7.5
95.04965	26.9
95.08607	63.7
96.08942	5.3
97.06522	14.6
97.10163	11.4
99.08096	29.0
105.07034	62.6
106.07345	5.2
107.04946	14.5
107.08581	32.6
109.06497	6.7
109.10139	27.5
110.10461	6.0
111.08077	6.4
117.06999	15.0
119.08591	36.7
121.06482	6.9
121.10152	27.1
123.08064	11.4
127.11195	11.1
129.06970	5.2
131.08543	17.7
133.05519	4.6
133.06502	4.8
133.10152	35.6
134.10391	4.5
135.11699	20.4
137.09612	22.5
137.13321	4.7
138.09895	7.8
141.12755	22.2
143.08571	7.6
145.10089	24.8
147.11642	21.3
149.13226	7.9
151.11174	12.5
157.10107	7.8
159.11664	10.0
161.09601	6.9
161.13246	11.1
163.11166	16.4
169.12218	10.0
171.11697	7.5
173.13326	5.5
183.11745	6.0
186.06732	5.2
197.13342	5.7
199.07620	7.6
209.12920	4.0
229.12212	7.0
239.17932	7.2
241.07555	7.3
241.12111	6.2
257.18930	6.8
275.20068	100.0
276.20544	6.0
277.21686	30.1
285.09964	11.4
287.07776	5.8
295.16687	5.5
295.22485	51.9
313.14450	7.2
313.17596	54.7
313.21564	13.5
313.27643	8.1
314.18088	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	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03947	14.5
53.67563	9.2
55.01871	42.3
55.05510	58.2
57.03423	11.6
57.07067	26.1
67.05513	100.0
69.03410	12.2
69.06797	8.1
69.07076	82.0
70.81660	22.0
71.05006	10.3
71.08634	20.0
73.71830	9.0
79.05489	52.8
81.03408	16.1
81.07057	70.8
83.04989	17.9
83.08617	25.6
85.06524	9.6
90.16879	9.6
91.05463	51.2
92.07253	8.3
93.07046	68.0
95.04963	30.6
95.08607	98.3
97.06528	35.0
97.10171	37.6
99.08109	19.9
105.07041	42.7
107.08595	50.5
109.10152	27.5
113.09645	13.3
117.07053	13.0
119.08571	29.7
121.06525	14.2
121.10159	39.8
123.08086	17.2
123.11749	10.6
125.09615	41.8
129.07022	9.3
131.08565	17.7
133.10109	27.2
135.11691	26.9
137.09630	14.2
139.11209	25.6
143.08589	11.5
145.10104	26.3
146.86041	8.4
147.11720	20.2
149.04883	10.2
151.11145	12.2
155.08600	12.1
157.10144	17.6
159.11699	17.7
161.13239	10.0
169.09975	12.5
171.11742	22.2
173.13184	13.3
183.11729	9.4
209.13255	14.1
213.15973	9.9
219.04736	8.5
238.01076	9.1
249.21941	10.1
259.20612	12.1
261.47534	9.2
277.21710	80.7
295.22775	87.4
313.14429	16.1
313.17825	25.6
313.21664	49.6
313.27670	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	313.2372
Annotation	CHEBI:132678
Peak:m/z	Relative Intensity
52.57528	4.4
55.01876	60.8
55.05513	43.7
56.96572	7.7
57.03434	13.0
57.07066	19.7
59.15069	4.9
65.01019	4.7
67.05507	67.4
69.07064	84.3
69.77466	28.5
71.04968	6.9
71.08617	14.6
79.05502	44.2
81.03407	11.3
81.07055	57.4
81.59747	4.2
82.13813	4.6
83.04974	23.0
83.08606	19.8
85.10168	9.3
86.85661	5.1
88.03906	4.7
91.05470	19.4
93.07047	42.1
95.04968	14.0
95.08612	38.9
97.06540	31.5
97.10159	18.3
98.20927	7.9
105.07021	18.2
107.08633	24.9
107.09211	5.4
109.06480	12.6
109.10168	27.5
111.08076	6.7
111.22684	4.9
113.09650	7.5
119.08583	18.5
121.10152	20.0
123.08057	11.4
123.11705	10.0
125.09616	10.6
129.06993	6.1
131.08585	11.4
133.10158	13.4
135.11646	8.3
137.09598	6.7
139.11177	100.0
145.10091	7.5
147.08009	6.6
147.11671	9.1
149.09596	7.3
151.11172	8.9
157.10159	8.5
159.11662	5.7
161.06015	5.6
161.13344	5.0
165.12775	9.1
168.27762	5.4
173.09634	5.2
175.11308	4.6
181.12222	5.6
185.13333	5.3
189.09201	7.8
239.86768	5.4
241.12170	8.7
259.20557	8.4
267.23267	8.1
277.21643	39.9
295.22043	40.2
313.14291	15.0
313.17700	61.4
313.21521	8.6
313.27359	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.05514	7.7
57.03162	1.4
57.03437	21.8
57.07076	68.9
67.05186	1.3
67.05511	13.7
69.07064	11.5
71.05009	0.9
71.08631	43.5
71.41222	1.0
79.05502	1.5
79.06931	0.7
81.07056	18.9
83.08622	13.6
83.44005	0.8
85.06548	1.1
85.10178	23.1
89.06045	3.9
95.08604	24.3
97.10168	6.0
99.11713	2.2
103.07578	2.9
109.10165	11.6
111.11694	1.9
123.11728	4.5
137.13271	2.1
151.14894	0.9
239.23738	4.1
257.24716	7.4
313.27359	100.0
314.27625	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24693	0.5
53.00314	0.6
55.05285	0.7
55.05514	8.5
57.03438	24.4
57.07076	63.2
67.05505	13.7
69.07066	11.4
71.04998	0.9
71.08630	41.7
75.04453	0.9
77.44788	0.6
79.05499	1.0
81.06612	1.0
81.07058	16.0
83.04977	0.8
83.08618	13.3
85.06530	1.3
85.10183	23.3
89.06027	3.2
91.05444	0.6
93.07060	1.2
95.08606	23.2
97.06538	0.6
97.10168	5.7
99.11739	1.7
101.05976	0.5
102.03185	0.5
103.07575	2.5
107.08608	1.2
109.10159	10.7
111.11700	2.2
113.71972	0.5
113.83493	0.5
117.09150	1.1
123.11701	4.4
125.09609	0.6
137.13269	1.4
147.77055	0.5
150.50676	0.6
151.14793	1.2
155.50002	0.6
159.13841	1.0
180.87529	0.6
207.83611	0.7
210.85989	0.6
229.43390	0.7
239.23657	4.0
257.24710	5.0
281.91229	0.6
311.17993	0.6
313.27368	100.0
314.27783	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	314.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09704	0.6
55.01870	3.4
56.96554	0.7
58.99588	0.7
66.41172	0.6
67.05499	1.7
69.03423	1.9
70.06600	0.8
70.74417	1.0
70.74741	0.9
70.81188	0.6
71.04990	1.1
72.08157	0.6
73.02910	2.1
73.40240	0.5
74.00662	3.3
74.39626	0.5
74.99078	1.5
78.98557	0.7
79.05479	1.1
80.04999	1.7
81.07046	1.1
85.02886	1.5
86.09707	3.1
86.99041	0.8
91.05464	1.9
93.07059	1.0
95.04958	4.4
96.04493	7.0
97.02894	2.6
98.97562	1.1
100.02186	1.3
102.98529	1.9
103.05462	0.8
105.07020	0.7
106.06544	6.3
107.04954	2.1
108.04459	0.9
117.06989	1.0
120.08109	0.8
120.99560	4.7
121.06520	0.9
122.02418	1.1
122.06006	0.7
123.04390	3.1
124.03950	100.0
125.02343	4.8
125.04295	0.8
126.05515	1.6
132.08115	0.9
136.03914	0.8
138.00117	1.3
138.05460	0.8
138.26311	0.5
140.03433	6.8
145.59700	0.6
148.03937	1.7
148.07608	2.4
149.06001	0.8
150.05501	2.5
151.03897	5.3
152.01711	1.6
152.07053	2.0
152.10687	2.7
153.05341	0.7
164.03447	1.7
164.07077	1.2
173.02638	0.6
174.05470	0.7
176.03415	4.5
176.07034	3.4
178.05080	0.8
180.01164	2.1
180.02916	3.5
180.04602	1.0
182.02664	1.2
194.04469	7.4
194.06197	0.7
194.08110	3.2
196.06073	0.6
198.02194	4.7
206.05667	0.9
206.08170	0.6
208.00648	0.9
217.03787	0.7
222.05681	0.6
226.01672	39.0
228.03209	0.7
244.02780	2.8
250.05165	1.4
264.08664	4.7
268.06372	12.1
278.04544	0.9
296.05869	67.3
297.06241	1.6
314.07040	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	314.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63190	0.6
53.03942	2.2
54.03862	0.6
55.01858	2.0
55.05500	2.8
56.05022	3.0
56.96561	2.4
57.03427	4.6
57.07056	1.5
57.87093	0.6
58.02958	6.3
58.06582	4.0
59.04985	3.2
59.86341	0.7
60.04523	2.0
61.02930	8.3
67.05506	1.2
68.05030	1.2
69.03429	13.1
70.06597	6.4
71.01356	1.0
71.04623	0.8
71.04995	10.7
71.31334	1.2
72.04503	1.4
72.08154	1.4
73.02895	4.3
74.06086	7.6
75.04467	1.2
76.04000	11.1
80.05004	1.0
81.03427	4.9
81.07023	1.2
82.06583	1.1
83.04983	9.8
84.04507	1.0
84.08141	1.3
85.02907	31.2
85.06545	1.1
86.06065	8.6
86.09708	11.8
87.04457	2.4
88.03984	2.0
88.07635	1.1
89.06042	5.5
91.03964	1.6
96.04503	0.9
97.02884	12.5
97.06487	1.1
98.06047	3.1
98.09670	1.3
98.69466	0.7
98.97565	4.7
99.04437	2.9
101.05404	1.1
101.06016	12.3
104.07107	2.4
108.08126	1.8
109.02876	2.9
109.05372	0.8
110.07144	0.9
115.03914	2.8
116.07090	7.1
116.98607	3.2
117.05483	1.0
119.01899	0.8
124.03981	1.1
124.07510	0.7
127.03941	5.0
133.04971	1.0
134.08118	5.6
134.99654	2.6
135.06517	1.7
136.06180	1.2
136.07594	0.9
137.06003	1.0
142.05026	0.8
143.01952	1.3
143.03358	1.8
145.04919	4.2
149.01279	0.9
152.07254	14.4
152.09175	100.0
153.09488	1.2
158.99710	1.5
161.03006	1.6
161.04628	0.8
162.27969	0.8
177.00732	2.1
178.07079	2.1
180.13837	2.8
182.05235	1.4
191.05745	1.4
191.55421	0.8
192.04285	1.0
196.08170	1.5
211.18036	1.2
220.04901	0.7
221.02353	1.6
229.19189	1.1
230.08388	0.8
233.06578	0.7
234.06929	1.1
235.04016	1.1
237.02852	1.6
273.06671	0.9
296.10770	1.3
296.13730	1.0
305.08096	0.8
314.08914	1.2
314.11749	4.8
314.15088	13.1
314.27902	1.4
315.10434	9.3
321.08292	0.8
332.05511	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	314.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.4
55.05506	5.7
56.05046	5.8
56.96567	35.8
57.03428	9.0
59.74572	3.9
61.02919	13.6
65.03919	3.3
67.05495	3.8
69.03436	33.1
69.98706	3.3
70.06594	31.1
71.04990	22.7
71.42652	5.9
72.08141	13.1
73.02905	13.7
74.92134	3.7
75.48334	3.2
79.05486	4.5
81.03419	11.1
81.07048	4.3
82.06567	4.1
83.04943	5.2
84.04507	8.1
84.08130	16.1
84.63354	3.9
84.96019	6.7
85.02908	62.3
85.06516	4.2
86.09700	14.4
87.04468	11.7
89.06030	88.4
91.05492	4.8
95.04961	5.3
95.06052	3.9
96.08141	3.8
97.02892	43.5
98.09679	4.8
98.97588	26.8
99.04449	4.7
101.02374	4.2
106.06564	11.8
107.04969	6.2
108.08138	33.3
109.02854	11.6
110.07182	6.4
110.97606	3.5
111.04431	8.7
112.07572	4.4
116.07076	5.3
116.98602	22.1
117.05531	4.1
119.01896	4.5
119.04866	3.6
123.05486	3.9
124.03985	6.1
124.07576	14.4
127.03904	17.0
128.98593	8.6
129.10268	5.9
134.06004	13.1
134.09642	25.5
134.99660	16.3
135.04413	5.8
135.06499	23.1
136.06174	32.4
136.07605	18.8
137.08292	4.4
145.04959	5.4
146.99680	13.7
152.05772	8.7
152.07059	100.0
152.09241	6.8
152.10686	36.6
154.08607	7.9
158.99637	9.8
160.03738	3.6
161.01256	5.1
164.05681	7.8
164.07051	9.1
165.00665	4.5
177.00703	8.3
177.04214	4.2
180.08636	3.9
189.00682	6.3
189.04185	3.9
194.08185	3.7
207.05504	4.5
219.01805	8.5
222.11290	5.4
224.06204	3.6
233.06847	5.3
237.02820	17.2
278.98645	3.6
290.23456	3.6
290.96832	6.4
296.11215	8.5
311.51764	4.6
314.02863	6.0
314.08899	7.6
314.12231	70.9
314.15948	18.9
315.10196	17.0
330.58737	4.5
333.08826	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	314.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.4
55.05506	5.7
56.05046	5.8
56.96567	35.8
57.03428	9.0
59.74572	3.9
61.02919	13.6
65.03919	3.3
67.05495	3.8
69.03436	33.1
69.98706	3.3
70.06594	31.1
71.04990	22.7
71.42652	5.9
72.08141	13.1
73.02905	13.7
74.92134	3.7
75.48334	3.2
79.05486	4.5
81.03419	11.1
81.07048	4.3
82.06567	4.1
83.04943	5.2
84.04507	8.1
84.08130	16.1
84.63354	3.9
84.96019	6.7
85.02908	62.3
85.06516	4.2
86.09700	14.4
87.04468	11.7
89.06030	88.4
91.05492	4.8
95.04961	5.3
95.06052	3.9
96.08141	3.8
97.02892	43.5
98.09679	4.8
98.97588	26.8
99.04449	4.7
101.02374	4.2
106.06564	11.8
107.04969	6.2
108.08138	33.3
109.02854	11.6
110.07182	6.4
110.97606	3.5
111.04431	8.7
112.07572	4.4
116.07076	5.3
116.98602	22.1
117.05531	4.1
119.01896	4.5
119.04866	3.6
123.05486	3.9
124.03985	6.1
124.07576	14.4
127.03904	17.0
128.98593	8.6
129.10268	5.9
134.06004	13.1
134.09642	25.5
134.99660	16.3
135.04413	5.8
135.06499	23.1
136.06174	32.4
136.07605	18.8
137.08292	4.4
145.04959	5.4
146.99680	13.7
152.05772	8.7
152.07059	100.0
152.09241	6.8
152.10686	36.6
154.08607	7.9
158.99637	9.8
160.03738	3.6
161.01256	5.1
164.05681	7.8
164.07051	9.1
165.00665	4.5
177.00703	8.3
177.04214	4.2
180.08636	3.9
189.00682	6.3
189.04185	3.9
194.08185	3.7
207.05504	4.5
219.01805	8.5
222.11290	5.4
224.06204	3.6
233.06847	5.3
237.02820	17.2
278.98645	3.6
290.23456	3.6
290.96832	6.4
296.11215	8.5
311.51764	4.6
314.02863	6.0
314.08899	7.6
314.12231	70.9
314.15948	18.9
315.10196	17.0
330.58737	4.5
333.08826	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	314.1964
Annotation	Heliotrine
Peak:m/z	Relative Intensity
53.03934	0.7
55.01879	8.9
55.05513	11.2
56.05017	1.2
56.96553	2.7
67.05506	4.6
68.05009	2.2
69.03416	2.5
69.07068	3.2
69.40350	6.5
69.67723	0.8
70.02953	2.5
70.06223	0.9
70.06596	18.9
71.04625	1.3
71.05000	22.7
77.41913	0.8
79.05502	5.4
80.05028	1.9
81.03439	1.0
81.07059	6.1
82.06563	0.7
83.04977	2.2
83.08179	0.8
83.08617	5.2
84.08161	1.4
86.06073	6.1
86.63557	0.7
91.05481	2.9
93.07026	3.6
94.06584	1.8
95.04957	2.1
95.08614	2.6
96.04529	1.2
96.07507	1.4
96.08134	28.5
97.06538	3.5
97.10176	9.0
98.06059	1.6
98.09696	16.0
98.20755	0.9
100.07642	1.0
105.07024	2.9
106.06548	1.2
106.63566	0.7
107.04966	1.0
107.08611	4.5
108.08121	4.3
109.10159	2.0
111.04394	0.7
112.07642	1.1
114.13593	0.7
117.07000	1.2
119.08540	1.6
120.08123	2.5
121.08868	0.8
121.10133	1.5
122.06028	10.9
123.11754	0.8
124.07586	5.2
125.08332	0.9
125.09641	5.8
129.06996	0.7
133.06506	0.9
133.10086	0.9
134.06082	0.9
135.08105	0.9
135.11711	1.1
136.07527	0.9
137.05942	2.4
140.07091	10.2
143.95845	0.7
145.06464	1.1
145.10098	1.0
147.04457	1.5
147.08017	1.2
147.11705	1.0
148.07587	1.2
153.06920	0.8
153.57951	0.8
161.09659	1.3
162.05527	0.8
163.11159	1.2
175.07297	0.8
175.11295	0.9
184.16953	1.7
196.80559	0.7
198.14961	0.9
209.11597	1.6
222.18489	0.9
229.00626	0.8
232.16924	3.4
250.18042	18.9
260.16428	6.2
268.19089	3.7
273.06238	0.8
278.17535	19.7
296.18579	100.0
297.18976	2.8
302.09186	1.0
314.11255	1.1
314.14676	1.8
314.19376	1.2
314.28000	2.8
315.12457	1.0
315.19617	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	315.105
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
56.96566	2.6
57.03427	0.7
61.02922	0.9
69.03417	1.7
69.75380	2.1
69.75793	0.9
70.06584	1.0
71.05009	0.5
72.08139	0.9
73.02898	0.6
81.03431	0.9
81.07030	0.7
84.04540	0.5
84.08117	2.2
85.02926	3.0
85.73513	0.5
86.09718	3.3
87.10014	1.0
97.02888	1.6
98.97572	1.8
106.97214	0.6
109.23620	0.5
116.07117	0.5
116.98612	1.8
119.01935	0.7
129.11855	0.5
134.99641	0.8
152.07077	0.6
153.05331	1.0
153.06560	0.6
164.07066	0.6
185.04184	0.9
191.03825	0.6
191.36111	0.5
212.18304	0.5
219.01779	0.5
225.62212	0.5
237.02824	1.1
276.91187	0.5
315.10486	100.0
316.10550	2.4
316.13947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.105
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
55.05499	0.6
56.96561	0.9
57.03434	0.4
63.58352	0.4
65.72588	0.4
66.41650	0.3
67.05519	0.4
69.03410	0.5
69.82942	2.3
70.06590	1.1
72.08150	0.7
75.35462	0.4
82.06580	2.4
84.04509	0.8
84.08135	0.4
85.02899	1.5
86.09718	1.9
97.02883	0.8
98.97591	1.1
116.98618	0.8
124.03988	0.5
134.99631	0.7
137.05893	0.4
147.07970	0.4
153.05374	0.8
153.06577	4.4
177.00725	0.4
185.04298	0.5
193.09866	0.3
195.07675	0.7
203.05313	0.4
233.19308	0.5
237.03023	0.6
285.07990	0.4
315.10504	100.0
316.10776	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	315.1931
Annotation	E-64c
Peak:m/z	Relative Intensity
56.84777	0.7
57.07050	1.1
58.19149	0.7
70.15659	2.9
75.38869	0.7
81.07055	0.8
98.20844	1.1
98.97575	0.9
116.98576	0.8
121.73183	0.8
134.99678	0.7
139.27870	0.7
227.77205	0.8
289.09457	0.8
310.77490	0.7
315.19318	100.0
315.34491	14.2
316.19720	4.9
334.12271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
56.96553	2.7
67.05489	1.9
69.07055	1.8
69.84839	4.8
79.05493	1.6
81.07053	0.9
91.05478	1.5
93.07085	0.8
95.04967	1.0
95.08594	2.2
97.06532	2.0
98.97610	0.9
99.78130	0.9
105.07040	1.6
107.08604	1.3
116.98582	1.7
119.08562	1.1
119.12611	0.8
121.06457	0.8
121.10149	1.2
133.10081	1.0
134.99649	1.9
155.91588	0.9
161.13239	1.1
170.85544	0.9
201.12733	1.1
268.93909	0.9
315.19312	100.0
316.19632	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	315.1955
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
55.05495	3.1
56.96554	3.5
58.26966	0.6
67.05500	2.6
69.07050	2.5
71.49822	0.8
79.05486	2.9
81.07055	3.0
83.04962	1.7
83.08612	5.1
91.05485	4.1
93.07015	1.5
95.04935	0.9
95.08606	3.7
97.06519	1.4
98.97575	1.5
105.07024	4.8
107.08597	2.0
109.06523	1.0
109.10143	2.4
111.08074	1.0
116.98617	1.5
118.55830	0.7
119.04945	1.1
119.08566	2.9
121.06477	1.3
121.10143	2.5
123.08047	1.6
128.06210	1.3
129.06979	3.8
131.08542	1.8
133.06506	2.0
133.10126	2.0
134.99670	1.3
135.08044	9.0
137.06001	0.9
137.09607	2.3
143.08524	3.9
145.06517	1.4
145.10075	1.6
147.08054	19.5
147.09251	1.0
149.09624	1.7
159.08049	1.1
161.06004	1.0
161.09610	37.6
162.09972	0.8
163.07596	0.8
163.11195	1.9
165.09093	1.4
167.08502	0.8
167.10660	1.0
171.08069	1.0
173.09637	1.7
175.07532	1.2
175.11311	0.7
183.11742	0.9
185.09592	2.1
187.07561	0.9
187.11151	1.7
189.09093	2.6
198.10320	1.2
199.11200	1.9
200.11940	2.0
201.12717	1.2
203.10619	1.5
205.04071	0.7
215.10574	0.9
217.08650	2.2
217.12187	1.7
231.13802	2.5
239.14328	1.0
239.86739	0.7
257.15359	2.8
259.13251	1.4
282.16080	1.3
287.16498	1.5
297.18466	1.7
300.17191	1.1
315.07483	2.4
315.19537	100.0
316.19882	2.9
333.17429	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	315.1955
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
53.03941	0.9
55.05497	2.5
55.37073	0.8
55.83964	0.7
56.96554	3.4
57.03422	1.1
65.08416	0.7
67.05502	3.2
69.07053	2.4
70.06602	0.8
70.13539	3.5
71.04990	1.3
79.05479	2.6
81.07033	2.6
83.08607	2.4
90.53381	0.8
91.05477	2.5
93.07032	2.7
95.04967	1.8
95.08592	2.8
97.06516	1.3
97.10155	0.8
98.97563	1.3
105.07044	3.9
107.04967	1.0
107.08588	1.7
108.11936	0.8
109.06475	0.9
109.10159	1.6
116.98610	1.5
119.04926	0.9
119.08587	2.4
121.06515	1.2
121.10149	2.4
123.08031	1.2
128.06215	1.5
129.07001	2.9
131.08594	1.3
133.06479	1.7
133.10121	1.9
134.99644	1.6
135.08060	8.5
143.08510	2.9
145.06464	1.6
145.10060	0.8
147.08043	14.3
149.09622	1.2
155.08521	0.8
158.07220	0.8
161.09618	26.0
171.08080	0.9
172.08662	1.0
173.09610	1.5
176.83345	0.8
183.07925	1.0
185.09634	1.8
187.11136	1.5
198.10390	1.4
199.11253	1.1
200.11899	2.2
201.12787	1.1
215.14261	1.0
242.16121	1.8
255.17291	0.9
268.94031	1.1
279.17328	0.9
287.16397	0.9
315.07510	1.7
315.19476	100.0
316.19989	4.0
316.28461	1.3
333.19077	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	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47142	0.9
53.03951	1.6
55.01864	1.7
55.05509	2.3
56.05019	1.7
56.96561	2.8
57.03434	1.8
61.02915	2.3
61.03459	0.9
66.93478	1.0
67.05505	1.6
69.03433	5.5
69.80433	6.5
70.06590	4.7
72.08156	1.7
74.06068	1.6
79.05490	1.3
80.05002	1.4
81.03426	4.0
81.07052	2.4
82.06581	25.7
83.04995	1.3
84.08141	10.2
85.02909	15.6
86.09706	21.4
87.04485	1.6
91.03964	1.2
91.05488	3.2
93.05793	1.0
93.07037	5.2
95.04949	1.8
97.02894	6.0
98.97612	1.1
99.04437	1.5
100.02211	1.5
100.07624	1.7
104.80645	1.1
105.66928	1.1
108.08125	12.1
109.02858	1.8
109.06517	2.4
110.06050	1.7
111.08112	1.2
116.07101	1.8
126.09152	43.6
126.10056	2.2
127.03903	2.9
129.10255	1.7
134.99692	1.6
136.07562	24.3
137.06114	1.0
138.05486	1.4
138.09174	4.2
140.10738	1.5
145.04941	1.7
154.08627	100.0
155.06911	1.4
177.87515	1.0
180.55084	1.1
196.09683	1.9
200.16472	3.5
231.20589	2.4
253.69852	1.1
272.16287	1.3
279.28833	1.1
316.13895	3.7
316.29556	3.0
316.67496	1.2
317.12045	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	316.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
56.96572	0.7
61.73883	0.6
69.03423	1.7
69.07059	1.0
70.06589	2.5
70.29783	0.6
71.49371	0.8
72.08173	1.3
79.05476	1.0
80.05034	0.9
81.07059	1.0
82.06578	2.4
84.04496	0.9
84.08128	2.0
85.02906	1.5
86.06061	1.5
86.09707	9.3
91.05457	2.0
93.07047	0.8
94.06576	1.4
95.04968	57.2
96.05317	1.0
96.08134	4.8
97.02861	1.2
97.08905	4.4
98.97576	1.7
100.07588	1.6
106.06573	1.0
107.04962	0.8
108.08115	12.6
109.06509	1.1
110.06110	0.7
110.09658	1.7
112.07596	2.9
112.11314	1.4
114.09168	78.1
115.09479	1.2
120.08098	0.9
121.06505	59.0
124.07587	1.5
124.11250	1.7
125.09671	0.8
129.04500	5.6
130.02876	1.1
134.09676	6.3
136.02124	1.8
138.09122	1.6
139.07549	1.9
140.37465	0.6
147.05528	6.1
152.10704	100.0
153.11064	2.2
154.08582	1.0
159.05548	10.4
177.00684	0.9
177.06601	8.0
187.05019	8.6
199.18076	0.7
200.16539	1.0
231.20683	0.7
234.89128	0.7
252.27324	0.8
275.26016	0.6
280.14536	1.1
282.50531	0.7
287.10217	1.6
298.15500	66.1
299.15778	2.9
316.13248	0.9
316.16550	12.0
316.29327	1.1
317.11819	5.7
317.15723	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	316.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05515	1.1
55.93501	0.3
56.05043	0.3
56.96561	0.5
58.06597	0.7
69.03436	0.7
69.07071	0.3
70.06585	1.1
70.33971	0.2
70.54571	0.3
70.74441	0.7
72.08155	1.1
73.00076	0.2
73.40834	0.2
73.49795	0.3
79.05492	0.6
81.03374	0.4
81.07058	0.4
83.06100	0.4
83.08630	0.8
84.04508	0.5
84.08160	1.0
85.02911	0.9
86.09707	100.0
87.10041	1.0
87.72094	0.3
97.02882	0.3
97.10165	2.4
98.06069	1.4
98.97583	0.7
100.02230	1.3
100.07645	0.3
107.08613	0.5
110.07185	0.3
112.07597	0.7
113.03492	0.7
116.07059	0.6
116.98604	0.3
117.07453	0.3
124.11234	0.4
125.09644	2.4
127.03909	0.4
128.98653	0.3
129.10191	0.5
136.07594	0.8
154.08664	1.3
154.12303	0.7
155.06818	0.4
157.07643	0.6
167.04523	1.6
178.76228	0.3
182.15410	7.0
185.05672	0.4
196.14445	0.4
200.16452	22.0
201.16869	0.3
203.05023	0.6
210.53552	0.3
214.17995	1.2
231.20668	18.1
232.21028	0.5
260.10397	0.4
285.25363	3.3
315.50714	0.3
316.10529	1.5
316.13757	1.0
316.29593	14.6
317.12030	3.8
317.29672	0.4
323.09998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37169	2.4
53.03934	3.1
55.01881	5.7
55.05510	8.7
56.96570	4.7
57.03428	16.2
67.05502	35.5
69.03431	3.4
69.07056	5.4
70.85039	8.0
71.05013	3.1
74.95071	2.7
79.05485	11.2
81.07053	20.9
83.04993	6.9
83.08611	3.1
85.06556	5.2
91.05483	56.3
93.07048	14.4
95.04962	8.0
95.08589	7.4
97.06528	4.7
105.07023	41.3
106.67543	2.6
107.04951	3.8
107.08607	20.6
109.06518	5.9
109.10163	41.3
109.19763	2.4
113.06009	3.1
117.07029	8.1
119.08604	14.9
121.10139	3.9
123.11720	5.4
128.06190	5.0
131.08601	4.1
133.10127	100.0
134.10492	4.2
135.11688	3.5
137.09644	4.9
143.08585	8.7
151.11177	56.0
161.09575	29.9
169.12289	14.2
179.10695	36.1
197.11772	8.7
215.12785	37.6
244.73431	2.7
299.14621	2.7
317.15540	34.9
317.21155	3.7
317.24588	5.2
318.16092	3.0
335.18933	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	317.2111
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
55.05494	0.8
56.96552	0.9
57.07059	0.3
59.04999	0.4
67.05502	1.4
69.03397	0.4
69.07061	1.4
70.69417	0.2
71.49747	0.5
79.05477	1.1
81.07068	1.5
83.04972	0.4
83.08607	0.4
85.06521	0.8
91.05462	1.2
93.07032	1.0
95.04945	0.9
95.08607	2.5
97.06545	1.5
103.05443	0.3
105.07021	1.3
107.04934	0.7
107.08593	1.2
109.06460	0.7
109.10165	1.8
111.08070	1.1
116.98692	0.3
117.07035	0.4
119.08572	1.2
121.02870	0.3
121.06483	0.7
121.10152	2.3
123.08079	0.6
123.11663	0.4
128.06239	0.4
129.06923	0.3
130.49734	0.3
131.04942	0.5
131.08540	0.8
133.06487	1.6
133.10175	0.6
135.08058	0.4
135.11702	0.6
141.61119	0.2
143.08556	0.3
145.06485	1.5
145.10114	0.8
147.08052	4.3
147.11710	0.5
149.05942	0.5
149.09630	0.8
157.06468	0.4
158.07289	0.5
159.08052	2.9
159.11636	0.4
161.05989	2.0
161.09622	2.1
163.07532	7.2
163.11165	1.1
165.06969	0.3
171.08035	6.7
172.08675	0.3
173.06027	0.6
173.09644	2.4
173.13298	0.3
175.07458	0.6
175.11218	1.4
183.08031	0.8
185.09578	0.8
187.07491	0.8
187.11153	0.8
189.09088	0.9
189.12753	0.8
191.10696	0.8
197.09637	1.7
197.13257	0.4
198.10350	1.6
199.11217	0.7
201.09070	0.4
201.12741	0.9
203.10646	4.0
205.12216	1.2
213.12740	16.0
214.09753	0.4
214.13190	0.4
215.10678	0.8
215.14326	1.2
223.11214	0.4
227.14311	1.2
229.12299	0.6
235.89044	0.3
239.14355	1.5
257.15332	0.7
275.16388	9.7
277.11398	0.3
281.18832	0.5
288.92261	0.3
299.20013	0.8
317.17877	3.4
317.21091	100.0
318.18307	0.3
318.21371	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	317.211
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.03937	3.0
54.73113	2.0
55.01857	5.7
55.05502	20.4
56.96540	2.6
57.07059	9.7
59.04989	5.7
64.96867	2.1
67.05151	2.7
67.05502	53.2
67.06060	2.3
69.03402	4.2
69.07046	8.0
70.23845	3.1
70.24226	4.2
79.05495	12.5
81.07056	31.8
83.04945	4.1
83.08608	4.6
85.06539	4.0
87.04460	3.5
91.05474	22.2
93.07033	17.6
95.04969	34.3
95.08608	21.8
97.06506	9.4
97.10160	2.5
103.45803	2.2
105.07030	17.3
107.08590	44.8
109.06518	23.5
109.10153	95.0
111.08044	2.8
117.07030	6.0
119.08577	67.2
121.06477	6.5
121.10147	8.8
123.08067	30.5
123.11749	3.3
125.06017	2.4
125.09618	2.9
128.06186	2.5
129.19131	2.2
131.08519	8.1
133.06471	5.4
133.10118	11.7
135.08067	12.1
135.11673	4.8
137.09621	65.3
139.07541	2.9
143.08595	5.7
143.19826	2.2
145.10097	11.3
147.08000	6.7
147.11699	5.0
149.09596	6.6
151.07539	69.4
153.05521	3.2
155.08539	3.1
156.09343	3.4
157.10149	3.8
159.08055	3.2
159.11700	8.8
159.77106	2.1
161.09576	13.0
161.13290	2.7
163.07625	2.5
163.11115	5.3
165.09125	6.9
170.99675	2.1
171.11667	7.7
173.09624	4.8
173.13254	5.8
175.11194	4.7
177.09122	3.9
181.08594	5.5
183.11624	2.5
187.11246	2.2
189.12718	25.4
189.82983	2.4
191.14386	3.0
197.13219	4.3
199.11162	4.1
203.14313	3.3
207.13766	31.0
213.12659	2.6
215.14282	4.4
217.12196	2.7
221.15323	6.4
223.14865	3.0
225.12747	3.8
233.15335	4.0
237.14781	5.9
243.13887	12.4
259.16919	3.3
261.14932	4.7
271.05508	2.4
281.18900	5.4
299.20096	15.2
317.21088	100.0
317.28796	4.0
318.21710	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	317.211
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.20143	0.3
55.01856	0.5
55.05517	1.8
56.96551	0.7
57.07069	0.8
59.04996	0.5
59.15872	0.3
67.05492	1.0
69.03426	0.3
69.07064	1.7
70.66309	1.0
77.07762	0.2
79.05481	1.0
81.07052	2.2
83.04973	0.4
83.08614	0.9
85.06528	0.5
91.05467	0.9
93.07026	1.1
95.04923	0.3
95.08623	1.7
96.98432	0.4
97.06517	0.9
98.97583	0.3
105.07026	1.2
107.04965	0.7
107.08606	1.2
109.10139	1.2
109.93684	0.3
117.07032	0.8
119.08563	1.0
121.02830	0.5
121.06532	0.4
121.10139	2.2
123.11688	0.4
131.04959	0.4
131.08556	1.0
133.06485	0.9
133.10120	1.1
135.08034	0.4
141.06981	0.4
143.08545	0.7
145.06490	3.2
145.10132	0.8
147.08096	1.5
147.11650	0.4
149.09579	0.7
151.11166	0.6
153.07034	0.5
155.08554	2.8
157.06483	0.5
157.10188	0.4
158.07230	0.5
159.08064	2.9
159.11707	0.5
161.05968	1.4
161.09653	0.7
163.03914	0.3
163.07533	7.4
165.07028	0.8
168.05721	0.5
169.10156	0.4
170.29861	0.3
171.08044	0.9
172.08784	0.5
173.05975	0.9
173.09608	3.2
174.13470	0.3
175.07555	1.3
175.11185	0.8
177.09065	0.4
179.08476	0.3
183.08054	15.2
185.09630	0.7
187.07555	1.7
187.11195	3.2
189.09085	0.7
189.12794	1.3
191.10719	0.6
195.08054	0.5
197.09656	2.0
197.13240	0.6
199.11197	0.8
201.09129	2.3
201.12685	0.8
203.10713	3.2
205.12221	2.2
210.10419	0.4
211.11172	0.5
213.12762	1.9
215.10707	1.3
215.14355	1.6
217.12195	0.7
224.11858	0.4
225.12706	0.8
229.12219	0.8
231.13806	0.6
239.14272	1.9
243.13852	1.3
257.15298	0.9
257.18930	0.3
275.16415	9.3
299.19937	0.7
306.93082	0.4
317.21106	100.0
318.21378	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	317.2111
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.20779	3.4
53.04694	3.5
55.05523	14.7
55.15868	3.1
57.07060	11.6
59.04988	10.1
63.95173	3.5
67.05505	74.7
67.32448	3.4
69.03416	10.5
69.07056	10.9
69.22115	3.0
69.48189	16.7
69.48605	9.3
70.06586	5.7
71.04995	5.2
74.68469	3.3
79.05492	14.2
81.07053	41.5
83.04967	9.8
83.08624	5.9
87.49282	3.2
88.07581	7.0
89.55018	2.6
91.05469	22.3
93.07038	27.0
95.04466	4.1
95.04978	39.3
95.08607	27.0
97.06522	9.3
102.09180	3.4
105.07036	23.7
107.08593	60.7
109.06500	25.1
109.09401	5.0
109.10153	100.0
117.07034	8.1
119.08585	64.7
121.06478	6.9
121.10147	11.7
123.08072	33.2
125.06026	3.8
125.09609	3.7
129.07010	3.0
131.08565	13.1
133.06523	7.4
133.10155	17.1
135.08043	16.9
135.11687	5.3
137.08553	5.7
137.09619	92.1
139.07513	4.8
143.08543	6.6
145.10098	11.9
147.08034	7.2
147.11700	10.1
149.05981	5.9
149.09622	7.7
151.07544	79.1
151.11163	3.0
153.05397	9.1
157.10049	4.9
159.08118	4.9
161.09647	11.4
161.13240	4.2
163.11232	5.5
165.09093	5.7
167.07126	4.1
169.10178	3.9
171.11740	9.4
173.09657	4.3
173.13208	5.7
177.12704	3.8
181.08572	8.0
181.12169	5.4
189.12726	32.2
191.10623	4.6
197.13373	3.6
199.11136	7.5
203.14359	5.1
207.13788	29.3
217.12256	4.8
221.15375	6.3
233.15446	4.6
237.14931	6.8
243.13805	10.0
256.26349	14.5
261.14923	3.5
285.77682	3.0
299.20023	16.8
317.13983	3.4
317.17444	13.4
317.21066	99.7
318.30084	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	317.2113
Annotation	Microclavatin
Peak:m/z	Relative Intensity
52.55717	0.6
53.03946	0.6
55.05504	2.2
56.44991	0.5
56.96553	2.0
57.03401	0.9
57.07061	1.1
59.04989	0.9
67.05508	4.8
69.03429	1.6
69.07074	3.4
69.80911	0.9
69.81323	2.0
71.04975	0.7
79.05476	2.7
81.03395	0.7
81.07057	4.9
83.04961	1.5
83.08624	1.1
85.06546	0.8
87.04456	0.7
91.05483	4.1
93.07030	3.8
95.04955	1.5
95.08611	3.6
97.06538	4.8
105.07029	6.7
107.08594	4.5
109.06531	1.7
109.10152	3.7
115.05424	0.7
117.06993	0.9
119.08596	3.8
120.99065	0.6
121.06501	1.2
121.10127	2.5
123.08047	1.5
123.11685	1.2
128.06197	1.5
129.06975	1.1
131.04941	1.1
131.08559	2.3
133.06516	3.0
133.10138	4.0
135.08054	5.6
135.11676	1.4
137.05922	0.6
137.09630	0.9
139.11238	0.6
141.07001	0.9
142.07785	1.1
143.08565	2.6
145.06470	1.6
145.10120	2.4
145.45390	0.6
147.08047	9.1
147.11742	1.3
149.06012	1.6
149.09631	1.0
151.07492	0.8
151.11191	1.8
155.08539	1.1
157.10109	1.4
159.08076	3.2
159.11769	1.4
161.09619	56.8
162.09964	0.7
163.03946	0.6
163.11176	2.0
169.10094	1.4
171.08084	1.1
173.09612	2.5
173.13222	1.1
174.10339	1.0
175.11153	1.5
175.14905	0.8
183.08052	2.4
183.11679	0.6
185.09636	0.8
185.13200	0.8
187.07600	1.4
187.11165	2.4
189.12805	1.0
191.10629	1.8
197.09676	1.1
197.13258	0.9
198.10443	1.0
199.07433	0.7
199.11230	1.0
201.09053	1.3
201.12819	2.9
203.07008	0.6
205.08540	1.1
213.12646	0.9
215.10612	0.9
215.14333	1.7
225.09125	3.2
225.12694	0.8
227.14227	1.0
229.12173	1.8
233.86465	0.6
239.14261	1.0
262.37527	0.6
281.18912	1.4
296.18039	0.6
299.20053	2.5
317.17444	30.1
317.21118	100.0
317.78970	0.6
318.17767	1.3
318.21313	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	318.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01875	0.4
56.05077	0.2
56.96564	3.7
57.03437	0.8
57.12068	0.3
59.58267	0.3
61.02932	1.2
67.02842	0.3
69.03426	3.0
70.06601	1.0
70.98734	0.6
71.04994	0.8
72.08155	1.2
73.02919	0.9
81.03421	1.3
81.07063	0.4
82.06581	0.8
83.01350	0.3
84.04510	0.6
84.08147	2.5
85.02907	5.5
85.08485	0.5
86.09704	2.0
87.04465	0.5
91.03937	0.5
95.06100	0.8
97.02898	3.0
98.97578	3.1
99.04450	0.6
109.02876	0.6
110.06048	6.0
110.07173	0.3
110.97573	0.5
116.07081	1.0
116.98637	2.1
119.01931	0.8
120.08122	0.6
127.03877	1.4
128.98593	1.0
129.10251	0.5
130.10582	0.6
131.01959	0.4
134.99661	0.9
136.06194	1.3
136.07608	0.5
138.05502	100.0
139.05841	0.8
145.03545	0.4
145.04948	0.5
146.99652	1.3
149.01157	0.3
152.05640	0.3
153.06462	0.8
155.04700	0.5
155.99658	0.4
156.06555	48.1
156.10184	0.9
157.04739	1.5
158.99658	0.7
161.01180	0.3
161.03004	0.6
161.04654	0.4
165.00761	0.7
170.05153	0.4
170.99606	0.4
174.00777	0.8
177.00694	0.7
177.04300	0.6
188.54678	0.4
189.00746	0.5
189.02324	0.4
190.03886	0.3
190.98608	0.7
195.05385	0.4
195.53946	0.3
205.00142	0.3
205.02081	0.4
208.99686	0.7
214.13364	0.4
216.01773	0.5
217.01958	0.5
219.01718	0.9
221.05119	0.9
224.08188	0.3
236.57498	0.5
237.02959	1.5
247.06598	0.5
274.15475	0.3
275.06183	0.4
285.10730	0.5
318.12335	1.5
318.21967	0.4
319.09775	0.9
339.09656	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03421	1.3
57.87413	0.6
59.19551	0.5
60.04517	1.2
61.02919	1.1
67.05500	0.8
69.03439	3.9
69.07055	1.9
70.06595	1.4
70.84498	1.0
72.08151	2.4
73.02887	0.9
79.05455	0.6
81.03410	1.0
81.07044	1.0
82.06579	1.3
82.22668	0.6
84.08160	0.9
85.02897	7.8
86.09701	5.2
87.05634	0.6
91.05447	1.1
93.07046	2.6
94.06582	0.7
95.04961	0.9
95.08603	2.2
96.04488	3.3
96.08122	1.9
97.02904	1.9
97.05271	2.1
97.06536	1.4
98.06034	0.8
100.07625	3.5
100.85237	0.6
108.08114	0.7
109.02863	0.8
109.06477	0.9
110.06049	4.9
110.09689	3.5
110.51112	0.5
111.08079	1.3
120.08106	1.9
121.06493	3.3
121.10194	0.6
126.09158	9.7
127.03961	1.2
136.07581	1.1
138.09140	24.8
139.07565	1.0
140.10736	0.7
145.01794	0.5
145.04993	0.7
147.05527	1.3
152.10760	1.1
154.08594	0.8
156.10202	100.0
157.10477	1.7
163.04974	1.1
173.12872	4.5
193.18791	0.6
198.11250	0.7
201.12363	1.9
205.11891	0.7
210.14864	0.8
222.11208	0.6
227.11855	0.6
228.15985	0.8
254.13992	0.7
264.11194	0.6
273.12473	0.7
283.11136	0.8
300.13373	1.8
301.11734	3.8
318.15656	2.6
318.30063	1.0
319.12799	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01873	0.3
55.05518	0.3
56.05023	0.3
56.79437	0.3
61.02910	0.4
67.05502	1.0
67.86349	0.3
69.03430	1.8
69.86795	1.6
70.06589	2.3
72.08147	0.4
73.02872	0.3
80.19292	0.3
81.03420	0.6
82.02945	0.3
82.06601	1.3
84.08134	1.0
85.02911	5.7
86.09699	0.6
91.05491	0.3
93.07038	1.0
95.04997	0.3
95.08617	1.8
96.08157	0.4
97.02926	1.4
100.07628	2.0
109.02866	0.7
110.06067	1.9
110.09688	2.7
111.05618	0.3
120.08111	0.9
121.06501	0.4
122.09653	0.4
127.03937	0.5
130.06496	0.5
132.04446	0.3
136.07623	0.6
138.09148	30.3
139.09677	0.6
140.10735	0.6
145.04961	0.5
147.05537	0.8
155.06941	0.3
156.10208	100.0
157.10558	2.1
159.90363	0.3
161.07149	0.3
163.05061	0.6
176.29762	0.3
184.27872	0.3
185.04234	0.3
191.05757	0.4
212.18124	0.3
219.07593	0.3
231.07687	0.5
259.11887	0.5
277.12903	1.4
300.09906	0.6
300.13406	0.8
300.17041	0.2
302.12433	0.8
315.31192	0.3
318.12344	2.9
318.18280	0.4
319.15451	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24398	0.3
53.03937	0.5
55.01888	0.4
55.05508	0.4
57.03439	0.4
61.02929	0.7
67.05492	1.1
69.03410	1.3
70.06599	2.7
70.67574	0.4
70.67908	0.6
73.02935	0.3
81.03409	0.6
81.07006	0.4
82.00345	0.3
82.06573	1.5
84.04481	0.4
84.08141	1.0
85.02901	5.3
86.09715	0.9
93.07049	0.9
95.04932	0.4
95.08611	1.9
97.02893	1.7
100.07611	2.2
109.02872	0.4
110.06058	2.0
110.09668	2.4
112.19677	0.3
120.08093	1.2
122.09629	0.5
126.09209	0.4
127.03905	0.5
130.06514	0.7
132.04404	0.4
136.07608	0.8
138.09140	30.4
139.09856	0.6
140.10706	0.7
145.04950	0.4
147.05533	1.3
154.08696	0.5
156.10197	100.0
157.10587	1.6
185.04269	0.3
186.04608	0.3
187.78844	0.3
201.16812	0.4
268.53082	0.3
277.13007	0.8
280.78494	0.3
300.09814	0.6
300.13525	0.8
302.12418	0.5
318.12311	3.3
318.24634	0.4
319.15384	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05499	0.5
57.03427	0.5
61.02927	0.7
62.71557	0.4
66.51675	0.4
67.05495	1.0
69.03422	1.7
70.06589	2.9
71.04980	0.4
71.16464	0.9
72.08160	0.4
78.37611	0.4
81.03414	1.0
81.51971	0.3
82.06581	1.8
84.04486	0.6
84.08145	1.5
85.02905	5.0
86.09702	0.5
93.07065	0.5
95.04964	0.6
95.08605	1.4
96.08096	0.4
97.02883	1.6
99.04452	0.5
100.07615	8.4
100.77442	0.4
109.02884	0.4
110.06034	1.7
110.09684	3.0
120.08095	3.7
121.06522	1.7
127.03903	0.9
130.06441	0.5
133.23828	0.4
136.07576	0.5
138.09140	35.4
139.09430	0.4
145.04839	0.5
152.06999	0.4
156.10202	100.0
157.10522	2.3
163.04993	1.9
219.07715	0.8
225.33672	0.4
300.10461	0.4
300.13574	0.7
318.12085	5.6
319.12454	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	319.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	1.0
56.96561	5.8
57.03413	1.1
61.02917	2.5
69.84849	4.0
69.85278	2.0
73.02921	1.5
78.57069	1.3
85.02911	2.4
85.71787	0.9
86.09710	1.3
97.02872	1.4
98.97578	5.7
100.99149	1.2
106.41088	1.0
116.98625	2.3
119.01852	2.4
128.02359	1.3
128.98553	1.7
135.01329	1.0
152.98993	1.1
190.98683	1.7
193.00272	1.1
213.03482	1.9
217.03796	1.0
236.25150	1.1
245.06406	5.2
265.06866	1.2
301.08835	9.0
319.10098	100.0
319.12915	4.2
320.10284	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	319.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	5.3
58.68896	1.1
61.02932	2.6
62.72001	1.0
69.03432	1.2
69.22437	0.9
71.22555	1.8
73.02914	1.2
74.05740	0.9
85.02918	1.5
98.97596	2.7
116.98621	2.5
119.00157	1.0
128.98671	1.4
134.99731	1.0
149.01353	1.1
152.98961	1.0
158.99710	1.9
165.00867	1.4
175.02721	1.1
177.00768	1.2
183.01999	1.0
208.99683	1.7
213.03426	1.2
245.06396	8.5
301.08994	9.1
319.10126	100.0
320.10406	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	319.1
Annotation	Chlorpromazine
Peak:m/z	Relative Intensity
69.46706	0.7
70.35590	3.0
93.37135	0.9
157.04721	2.5
193.21173	0.8
197.64270	0.9
221.05087	1.4
245.06369	8.7
301.09015	6.7
319.10065	100.0
319.13260	4.9
320.10242	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	319.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48409	0.8
52.51036	0.6
53.03949	1.0
55.01859	0.9
56.96560	10.1
61.02900	1.9
62.66455	0.7
69.03432	4.2
69.82425	4.7
70.06567	2.2
71.04982	1.2
72.08126	1.6
73.02900	1.9
74.02480	0.8
77.32608	0.9
79.05458	1.1
81.03401	1.6
81.07023	1.2
83.04942	1.0
84.04472	0.9
84.08147	4.2
84.95998	1.3
85.02895	8.2
86.09701	1.7
87.04446	1.1
91.05479	1.5
95.04961	0.9
97.02893	4.1
98.20862	1.1
98.97578	7.3
99.04453	1.3
101.00742	0.8
105.07030	0.7
106.77138	0.8
107.76245	0.8
109.10564	0.7
110.07155	1.6
110.97571	1.0
111.04427	1.0
116.98596	5.7
119.01873	2.9
120.08116	0.7
127.03864	2.3
128.98589	2.7
129.10159	1.0
131.01913	2.0
133.03430	1.4
134.99599	3.6
136.07545	1.1
137.02907	1.2
137.05879	1.2
138.05515	4.4
139.05864	5.6
145.03421	1.7
145.04872	1.2
145.05931	0.8
146.99617	2.8
147.04355	1.0
149.01195	1.0
155.01845	0.9
156.06508	2.6
157.04718	100.0
157.06815	3.9
158.99655	1.2
161.02919	1.6
162.05473	0.8
165.00713	1.3
173.02921	2.3
174.99132	1.2
175.00636	1.1
175.02715	2.0
175.04359	0.9
177.00674	5.1
184.69449	0.8
185.02644	0.8
185.04199	14.9
187.04533	1.0
190.98630	1.3
193.00182	2.5
193.03812	1.3
195.01567	0.9
195.05330	0.8
195.53818	1.2
203.03839	1.0
205.01962	1.4
208.99580	1.1
217.01825	2.1
217.03700	1.8
219.01677	3.0
221.05009	11.2
229.05453	1.4
235.02702	0.9
237.02815	5.6
237.56845	1.6
247.06641	7.9
251.02574	1.0
257.04929	2.2
259.06665	1.7
269.03534	1.4
275.06177	4.5
293.07321	4.8
301.08813	0.8
301.11917	0.8
319.09863	20.6
319.13498	83.7
320.14194	1.3
337.07797	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	319.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	0.6
53.76682	0.3
55.05455	0.7
55.66076	0.3
56.96504	0.7
57.03349	1.2
67.05414	1.2
69.03332	1.2
69.07012	0.6
69.79540	2.2
70.06497	1.3
71.04932	0.7
72.08090	0.7
79.05434	0.8
80.29271	0.4
81.03362	0.8
81.06997	0.8
81.07402	0.4
84.04435	0.6
84.08131	2.3
85.02801	2.7
85.06490	0.5
86.09600	3.4
86.10156	0.9
87.09937	0.8
91.05405	0.9
93.06980	0.7
95.04891	0.8
95.08518	0.5
96.08076	0.5
97.02782	1.2
97.06435	0.8
98.97478	0.7
99.04353	0.6
100.07552	0.6
105.06946	0.8
107.08474	0.7
109.02767	0.4
110.05988	0.5
110.07108	0.6
111.07980	0.8
113.05923	0.5
116.98528	0.6
119.04848	0.5
120.08011	1.2
121.06395	1.2
122.05947	0.6
124.07452	1.1
125.05878	0.4
126.09071	0.5
127.03832	0.5
129.10149	0.8
134.05908	0.5
136.07468	1.1
137.05762	0.4
138.09059	1.3
139.03929	0.4
139.09424	0.7
139.11069	0.9
144.08011	0.5
147.04305	0.6
147.05421	0.9
151.03815	0.7
152.06967	0.6
157.08530	4.8
157.10391	0.9
157.12172	0.4
158.08356	0.4
158.09570	0.5
166.04916	0.4
167.07167	0.7
169.07564	0.6
170.05888	0.4
170.08334	0.5
171.09087	1.3
172.07498	0.5
173.13034	0.5
174.09018	0.9
177.05347	0.5
183.09100	1.3
184.09879	2.3
185.08325	0.5
185.10735	0.6
194.08351	0.6
196.09842	0.4
197.07086	0.5
198.07771	1.4
199.08578	2.1
199.12300	1.8
200.10629	1.3
201.12491	0.4
202.10764	0.5
205.05746	0.5
205.07426	0.7
206.12074	0.5
209.10709	1.5
210.09172	0.9
210.11267	0.4
211.08606	2.4
211.12007	0.4
212.09396	4.7
213.10292	3.6
214.08582	0.8
225.10214	3.9
226.11006	10.3
227.11787	13.1
228.10222	5.2
229.09714	1.1
237.09727	0.4
240.08807	0.5
241.09735	0.9
242.10664	0.5
245.12846	0.6
250.10796	0.5
255.11288	7.6
255.13905	0.7
257.09137	1.2
259.10760	1.2
270.09988	19.1
271.10797	4.6
272.11551	17.5
273.12308	12.1
275.13879	0.5
277.13116	0.5
283.10776	7.3
284.11624	0.5
301.11816	100.0
302.12341	2.0
319.12878	36.3
320.13269	0.7
327.17529	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	319.1904
Annotation	Salvidorol
Peak:m/z	Relative Intensity
54.60158	0.3
55.05513	1.7
55.07522	0.3
56.96556	1.2
57.03432	0.6
57.07063	0.5
59.04991	1.1
61.15973	0.3
67.05504	2.1
69.03434	0.7
69.07085	1.8
71.04982	0.6
71.10785	0.6
79.05502	1.6
81.03417	0.5
81.07066	2.9
83.08605	0.9
85.06539	1.5
85.70732	0.2
87.04443	0.8
91.05484	1.1
93.07044	1.7
95.04969	0.7
95.08604	2.4
97.06525	0.8
97.10172	0.7
103.05488	0.3
105.07024	1.2
107.04963	3.5
107.08613	1.5
109.06508	0.7
109.10158	2.6
111.08102	0.5
117.07037	0.8
119.08544	1.4
121.06512	1.0
121.10139	1.9
123.08034	0.5
123.11701	0.8
128.06207	0.3
129.06987	0.6
131.04926	8.5
131.08560	0.9
133.06480	1.8
133.10127	0.8
135.08101	0.5
135.11716	0.7
137.05960	0.3
137.09567	0.6
139.11171	0.7
141.89436	0.3
143.08568	0.6
145.06487	5.9
145.07547	0.5
145.10139	0.8
147.08031	3.2
147.11670	0.8
149.05980	37.6
149.13268	0.4
157.06497	0.9
157.10179	0.6
159.08072	2.6
161.09590	2.1
163.07539	4.9
165.12611	0.3
170.07263	0.4
171.07999	1.4
171.11623	0.4
173.09665	1.6
175.07518	1.0
175.11192	1.0
177.09164	0.6
185.09581	0.8
187.11226	0.4
189.09058	2.0
195.08041	0.6
199.07518	0.3
199.11169	1.1
201.09158	0.7
203.10675	2.0
211.11238	0.3
212.08415	0.3
213.09163	1.7
213.12688	0.3
215.10722	1.9
215.14264	0.6
217.12210	0.6
223.07635	0.4
227.10767	0.4
229.12254	0.4
229.14297	0.4
231.10330	0.3
231.13971	0.3
241.12260	0.5
241.15878	0.9
246.97510	0.3
259.13275	0.3
259.16910	0.4
273.22372	0.4
276.66779	0.3
283.16946	0.4
283.20401	0.4
301.14435	0.7
301.17950	2.2
301.21286	0.6
319.19006	100.0
320.19278	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	319.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92530	0.8
55.05514	6.5
56.96557	2.0
57.07064	2.9
64.79277	0.9
67.05497	9.5
69.07067	11.5
69.71468	0.9
70.12836	0.8
71.50000	1.1
71.50381	1.2
71.93216	1.2
79.05498	4.3
81.07053	21.1
83.08611	3.9
91.05467	4.3
93.07046	9.8
95.04971	1.0
95.08602	33.6
97.10167	3.0
98.97601	1.1
103.05426	1.1
105.07031	14.5
107.08587	16.1
109.10156	24.6
111.11730	1.1
117.07001	1.1
119.08578	23.3
121.10146	11.8
123.11718	12.2
128.06209	1.0
129.07001	2.2
131.08562	10.3
133.10126	11.6
135.11702	5.1
137.13255	12.3
141.06976	3.2
142.07799	5.7
143.08556	13.0
145.10101	6.7
147.11719	5.9
149.13239	6.2
151.29903	0.9
151.31113	1.0
153.06943	1.3
154.07761	7.3
155.08556	26.8
156.09277	1.8
157.10132	17.6
159.11673	4.3
161.13269	13.4
163.14816	3.5
165.06972	8.1
166.07782	2.3
167.08553	7.8
168.09351	2.1
169.10124	35.1
170.10567	1.2
171.11725	6.7
175.14833	8.4
177.16359	2.3
178.07788	3.5
179.08533	11.5
180.09337	10.9
181.10138	12.5
182.10782	1.2
183.11707	14.1
185.13249	1.9
187.14909	1.3
189.16365	17.9
191.08617	1.0
192.09384	6.9
193.10139	13.8
194.10912	9.8
195.09946	2.1
195.11688	32.5
195.13478	2.0
196.12210	1.3
197.13269	6.3
199.14833	1.9
205.10141	2.0
206.10925	6.2
207.11674	15.8
208.12367	2.0
209.13255	54.3
210.13817	1.3
211.14838	6.9
219.11694	3.4
220.12447	4.4
221.13229	14.0
223.14799	16.5
225.16432	1.4
233.13147	1.4
234.13959	1.6
235.14839	13.1
237.12260	1.0
237.16414	3.3
247.14807	1.7
249.16417	15.1
261.16403	2.2
262.64578	1.0
263.17950	10.6
276.18716	1.7
277.19553	3.1
289.19400	1.7
291.21054	3.7
319.24203	100.0
320.24521	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	321.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06997	0.9
54.25729	0.9
56.96571	6.8
57.03428	1.3
57.54731	1.1
58.70330	1.0
61.02915	1.6
65.12910	1.0
69.03421	2.8
70.85847	0.9
70.86161	1.5
72.22922	0.8
81.03426	1.5
84.08131	1.2
84.95989	1.4
85.02910	4.5
90.36473	1.0
93.81257	0.9
97.02888	3.0
98.96959	1.3
98.97577	17.2
101.00870	7.0
103.02451	1.5
103.63581	1.0
110.97598	2.7
112.99142	1.2
113.00850	1.5
115.02415	5.7
116.98620	8.4
117.03950	2.4
119.01926	20.5
121.03525	1.0
128.98647	4.7
131.00224	2.3
131.01920	13.9
133.03468	16.3
134.99652	1.6
135.05028	2.6
137.02989	4.5
140.07033	0.9
143.01886	6.4
145.03471	8.0
146.99605	2.5
147.03290	2.3
147.05006	2.6
149.03015	1.7
151.04535	2.6
154.08604	1.0
155.01910	9.5
156.02690	2.3
157.03461	2.8
158.99693	2.2
159.05005	11.2
161.02972	12.0
163.04491	3.4
168.99860	1.2
170.99631	0.9
171.05013	13.6
173.02954	11.3
173.06602	2.5
175.03000	1.1
175.04530	2.6
177.00723	2.3
177.04321	3.0
177.06079	6.8
186.77943	1.0
187.00888	2.1
187.02586	1.2
187.04568	1.4
189.00668	1.7
189.04424	1.9
189.06047	10.1
191.04021	2.0
191.07625	1.1
195.05443	1.8
197.02960	1.3
201.04431	2.3
201.06096	6.0
203.03998	3.6
205.01953	1.3
205.44279	1.3
213.06154	3.7
215.00317	3.6
219.01782	4.6
219.05334	1.2
219.07162	5.3
221.05069	20.7
231.07118	3.6
233.08765	1.1
237.02795	7.5
240.07614	1.0
243.07146	2.1
245.05023	3.8
247.02959	3.8
249.04407	1.2
255.07103	1.0
261.02734	1.2
261.08286	16.9
279.04037	2.0
279.09225	25.8
321.11615	100.0
335.61661	1.0
339.09958	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	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
55.05496	1.6
56.05024	1.3
57.86859	1.0
67.05502	9.7
69.03422	1.5
69.07065	3.4
69.16473	9.7
69.16871	2.1
73.78439	0.9
79.05481	5.1
81.03445	1.1
81.07040	2.3
82.06578	1.9
83.04981	2.2
84.08153	1.4
91.05503	2.6
93.07027	1.5
94.06568	8.1
95.04970	4.5
95.08628	2.4
96.04478	3.1
96.08141	1.9
98.20583	0.9
98.97578	1.1
105.07001	1.9
108.08121	1.2
109.05263	4.4
109.06530	1.3
110.06056	9.4
110.09681	2.4
111.08055	1.0
112.07603	3.2
119.08579	1.8
120.08121	4.3
121.02856	1.1
121.06517	3.0
121.10144	1.0
122.06028	24.6
123.04443	2.6
124.07596	2.6
129.07024	1.7
131.63564	0.9
133.10086	1.0
136.07571	15.7
137.05968	1.3
138.05513	4.8
138.09145	17.0
140.07066	30.4
140.08130	1.7
142.07870	0.9
143.08537	1.5
145.08890	1.1
145.10078	1.0
146.05913	1.5
147.04466	1.4
159.11610	0.9
160.11281	1.5
164.07062	25.7
166.04977	11.8
173.08315	1.1
173.09685	1.7
174.09145	2.9
182.08134	20.6
184.06107	2.5
185.09676	1.7
186.09137	2.6
187.09763	1.1
187.11229	1.0
188.07133	1.7
188.10797	4.5
190.08730	1.3
195.07867	1.1
200.10667	1.6
202.04956	0.9
202.08632	3.9
202.12250	3.7
212.10754	4.0
213.09038	1.2
214.12286	1.0
216.10159	6.9
229.07397	1.5
230.08076	3.9
230.11792	8.4
231.08942	1.8
237.02684	1.6
240.10167	2.3
242.11816	1.3
243.09065	1.0
243.11342	3.9
244.09683	5.7
258.11295	19.4
268.09882	1.2
276.12283	2.7
279.03781	1.4
285.12280	1.7
286.10764	8.3
302.58597	0.9
303.13419	12.6
303.16684	0.9
304.11786	100.0
305.11984	1.2
321.14313	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	321.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01874	1.8
57.38384	1.1
61.31452	1.0
65.03925	1.4
67.05493	7.6
68.85918	1.2
69.03427	6.5
71.01344	1.3
71.04996	1.4
71.49376	1.6
73.51097	1.0
75.35601	0.9
78.53493	1.1
79.05475	7.7
81.03415	5.8
81.07062	2.7
83.04970	1.3
84.04504	1.1
85.02900	6.7
87.04471	1.5
91.05485	6.8
93.07036	5.1
94.06577	10.7
95.04969	4.4
97.02878	3.3
97.06526	2.0
99.04454	1.8
102.56864	1.2
103.05468	3.1
105.07037	3.9
106.06543	5.6
107.04948	8.1
107.08618	1.2
109.02880	4.7
109.06565	2.7
117.07001	1.5
119.04955	1.9
120.08101	1.5
121.06520	4.6
122.06024	100.0
125.02356	3.3
127.03894	3.7
131.04869	2.1
133.10054	1.4
134.09654	5.0
135.04427	4.6
136.07573	94.4
137.07887	1.7
138.05521	1.3
143.08551	1.4
145.06476	1.6
147.04468	1.3
147.05519	23.2
148.05905	1.5
148.07547	1.5
149.06001	5.1
150.05493	56.8
151.03943	4.5
151.05873	1.2
159.04379	2.8
160.06223	1.1
161.06017	1.6
161.09636	1.2
162.09167	1.8
164.07065	7.9
165.05573	1.1
166.04921	1.2
168.06552	20.0
168.07870	2.0
177.00798	1.3
177.05476	4.3
182.08127	2.4
193.05009	1.4
195.06555	1.5
198.07014	1.1
198.09058	3.1
202.12347	1.1
204.09929	1.2
204.58127	4.4
205.08113	1.9
215.11879	1.6
229.06044	3.5
230.59683	3.0
231.09973	1.5
232.13359	1.7
239.60213	4.8
240.10323	2.1
243.11287	5.1
244.09700	1.6
257.27884	1.1
258.11243	3.0
285.12225	6.4
286.10718	6.9
303.13339	11.3
304.11655	2.1
312.62189	1.1
321.09866	6.9
321.14304	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	321.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
67.05505	11.5
69.03434	1.1
70.53693	2.0
70.54050	2.2
79.05487	2.8
81.03405	4.5
81.07071	0.9
85.02907	1.5
91.05473	2.8
93.07038	2.4
94.06564	11.9
95.04973	2.9
97.02876	1.3
103.03504	0.9
103.05450	2.3
105.03415	1.4
105.07025	1.3
107.04955	7.5
107.94564	0.9
108.08052	1.2
109.02891	2.6
109.06535	2.0
119.91795	0.9
121.06528	1.5
122.06021	44.6
123.04434	1.9
123.06301	1.0
125.02378	2.4
125.05965	1.0
127.03894	1.2
127.49677	0.9
131.04921	1.5
135.04495	1.3
136.07568	65.0
137.07869	1.5
140.07045	1.8
149.05962	2.9
151.03932	1.6
151.41766	1.0
159.04445	1.6
161.05908	1.2
164.07057	100.0
165.07420	3.3
177.05431	4.8
182.08125	63.0
243.11302	1.8
258.11371	1.7
285.12521	1.4
286.10620	1.0
303.13214	1.9
304.11746	3.5
321.09732	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	321.2427
Annotation	19(R)-HETE
Peak:m/z	Relative Intensity
53.03933	1.6
55.01864	2.4
55.05507	14.8
56.96554	4.8
57.03430	2.3
57.07071	8.5
60.80059	1.7
67.05505	21.2
69.03417	3.4
69.07070	20.1
70.06576	2.4
70.07409	2.1
70.74440	4.8
71.04972	4.5
72.67077	1.4
73.02918	4.4
73.06544	1.7
76.39125	1.8
77.09963	1.8
79.05486	21.6
81.06613	2.9
81.07058	42.2
83.08607	7.6
85.06539	5.8
91.05470	22.6
93.07057	28.7
95.04943	6.2
95.08616	30.8
97.06503	7.7
97.10183	4.1
105.07030	35.2
107.07896	3.1
107.08595	45.6
107.55511	2.0
109.06506	6.6
109.10154	29.9
111.08066	4.0
116.98563	2.4
117.06990	11.4
118.06544	14.6
119.06877	15.2
119.08576	38.7
121.06509	2.5
121.10143	35.7
123.08063	7.0
123.11723	14.4
125.09602	6.8
128.06215	2.2
129.06987	11.4
131.08565	28.7
132.78735	2.0
133.10136	30.8
135.08060	3.9
135.11687	24.4
137.09602	4.5
137.13213	3.4
141.06985	5.3
142.07771	4.7
143.08563	19.4
144.09358	5.0
145.10110	23.0
146.06015	6.5
147.06326	5.8
147.08119	2.9
147.11699	18.9
149.09592	5.3
149.13277	11.2
151.11119	3.1
155.08565	12.9
156.09280	2.8
157.10117	25.1
159.11707	30.3
161.06053	2.1
161.09570	2.6
161.13255	34.1
163.11174	4.6
163.14828	8.2
167.08582	2.4
168.09366	2.5
169.10152	12.4
171.11700	21.9
173.13237	21.2
174.05464	3.4
175.05907	3.3
175.11166	3.5
175.14812	6.0
177.12770	7.5
179.14297	7.5
182.10843	2.9
183.11649	12.7
184.12354	2.5
185.13272	18.5
187.14857	12.4
189.12741	3.4
189.16383	7.1
191.00137	2.1
195.13922	2.3
197.13231	18.1
199.14803	11.7
201.16380	10.9
203.14352	5.6
206.08124	4.3
207.08414	11.2
211.14828	13.0
213.16382	12.4
215.14316	7.6
215.17992	2.2
217.15898	2.2
221.15376	3.7
225.16351	10.2
227.17908	13.3
229.19591	2.6
231.17470	5.4
232.13347	3.5
233.13547	12.7
239.18036	9.1
241.19537	10.0
243.21071	14.0
254.20222	2.3
255.21112	9.8
257.22632	5.3
261.13077	3.4
267.21075	33.0
273.22086	8.7
275.23669	2.0
285.22116	74.8
286.22543	1.9
303.23181	98.3
304.23532	2.9
321.11182	4.3
321.15231	100.0
321.24185	34.6
322.15485	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	321.2423
Annotation	19(S)-HETE
Peak:m/z	Relative Intensity
52.70136	1.5
53.03947	1.9
54.62913	1.6
55.05508	17.2
57.03428	1.9
57.07072	9.5
67.05507	24.4
69.03416	2.6
69.07071	11.6
69.58798	10.0
71.04991	3.2
79.05499	19.9
81.06608	2.6
81.07058	35.8
81.07535	2.4
83.04979	3.3
83.08614	8.5
85.06541	5.7
86.07960	1.9
90.36756	1.9
91.05477	19.3
93.07037	24.5
95.04976	5.2
95.08607	33.9
97.06527	5.9
97.10170	4.6
105.07024	35.4
107.08596	46.2
109.06542	3.0
109.09409	2.0
109.10154	32.9
111.08038	3.6
111.11771	2.2
117.07045	9.4
119.08574	41.0
121.10143	24.9
123.08083	6.6
123.11702	15.4
125.09626	6.5
128.06241	4.3
128.07120	2.2
129.06981	9.9
131.08580	22.2
133.10130	36.7
135.08060	4.6
135.11699	21.7
137.09621	4.8
137.13271	4.7
141.06996	5.1
142.07808	3.4
143.08583	19.4
144.09372	2.1
145.10126	24.8
147.04443	2.3
147.11687	17.5
149.09627	5.5
149.13289	9.0
151.11142	3.5
154.07687	2.0
155.08539	15.7
156.09352	3.6
157.10120	22.7
159.11703	28.5
161.13249	28.5
161.25586	1.9
163.11198	2.6
163.14893	8.4
165.12784	2.5
167.08600	2.5
168.09323	2.3
169.10136	15.3
171.11684	18.6
173.13274	18.9
175.11234	6.6
175.14827	6.3
177.00598	2.2
177.12744	11.5
179.14325	5.8
180.49268	1.7
182.10905	1.9
183.11682	14.2
184.12575	2.3
185.13242	20.0
187.14851	11.3
189.12679	3.9
189.16440	4.7
191.14354	4.8
196.12354	2.8
197.13229	14.4
199.14848	13.8
201.12750	2.4
201.16473	7.3
203.14299	5.5
209.13261	2.1
211.14870	14.9
213.16330	9.7
215.14330	6.9
215.17894	2.9
217.15887	3.5
221.15379	3.7
223.14755	2.5
225.16428	12.1
227.17947	15.6
229.15785	5.3
229.19537	2.8
231.17432	4.2
239.17921	8.9
241.19492	11.5
243.17435	3.7
243.21042	12.4
254.20349	2.7
255.21060	10.3
257.22681	6.8
259.20590	3.5
261.09100	2.9
267.21051	28.7
273.22189	10.2
275.23660	2.3
285.22107	70.3
303.23175	100.0
304.23520	3.6
321.11072	5.7
321.20813	1.6
321.24228	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	321.2423
Annotation	19(S)-HETE
Peak:m/z	Relative Intensity
53.03945	2.9
53.57561	2.5
55.01876	2.8
55.05506	18.7
56.96550	2.1
57.03435	3.3
57.07059	8.6
58.91109	2.4
59.21431	2.3
61.02932	2.2
67.05502	26.9
69.03427	4.3
69.07067	22.1
69.86123	11.8
71.04995	4.3
79.05492	21.8
81.07054	50.0
83.04990	2.7
83.08622	9.7
85.06551	4.0
86.09706	29.7
91.05468	22.8
93.07043	30.5
94.51430	2.3
95.04977	7.2
95.08598	38.1
97.06510	5.2
97.10172	10.1
98.97569	3.5
99.08092	3.8
104.36713	2.2
105.07020	42.6
107.08588	50.2
109.06531	7.1
109.10152	34.5
111.08037	3.5
117.06998	12.8
119.07738	2.9
119.08582	42.8
120.08106	30.2
121.06527	4.2
121.10149	28.2
123.08055	7.1
123.11712	17.5
125.09622	8.7
128.06219	2.7
128.10698	14.3
129.06992	9.0
131.08556	23.2
133.10123	36.4
135.04482	2.4
135.07961	4.0
135.11682	26.7
137.09618	7.1
137.13237	5.9
141.06960	9.0
142.07730	5.8
143.08549	17.1
145.10126	25.7
147.04356	3.8
147.11676	17.5
149.09637	8.3
149.13269	9.1
150.25122	2.4
151.11188	3.9
155.08519	15.8
156.10283	5.6
157.10127	26.7
159.11685	34.0
161.09605	4.4
161.13268	38.4
163.14847	9.5
165.12743	3.5
166.08659	16.9
168.09381	3.0
169.10126	15.1
171.11667	20.8
173.13290	19.2
175.11174	4.1
175.14775	4.6
177.00659	2.7
177.12738	9.6
179.10640	2.5
179.14311	6.9
183.11632	12.0
185.13217	20.6
187.11189	2.7
187.14795	13.9
189.12744	3.2
189.16379	4.2
195.11699	3.2
195.13853	2.8
196.12340	3.0
197.13191	14.6
199.14867	7.3
201.16415	9.3
203.14323	6.6
211.14861	14.4
213.16385	8.8
215.14323	7.8
215.17961	5.9
217.16109	2.6
221.15419	4.4
225.16382	10.8
227.17941	13.9
229.16010	5.9
229.19485	3.2
231.17407	5.4
233.15346	2.8
237.02885	2.6
239.17899	5.1
241.19455	10.7
243.17326	3.5
243.21056	17.0
255.21103	8.9
257.22507	5.5
259.20514	4.1
267.21057	32.6
273.22110	12.5
275.16412	2.7
285.15146	2.9
285.22110	81.4
303.16141	3.5
303.19702	6.1
303.23172	100.0
304.23718	4.4
309.67386	2.5
321.11295	4.6
321.17014	8.6
321.24237	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	322.0922
Annotation	Furomegistine I
Peak:m/z	Relative Intensity
55.01856	0.7
56.05024	0.5
56.96577	0.4
60.05649	0.5
67.05505	0.3
69.03418	1.1
69.07057	0.4
70.06595	2.7
70.48915	1.0
71.01347	0.6
72.08142	1.0
73.02925	1.7
74.06065	0.6
77.03928	0.3
79.05502	0.7
81.03422	0.5
81.07051	0.4
83.04971	0.5
84.04493	0.7
84.08113	1.6
85.02893	1.3
86.09692	0.9
91.05460	1.0
93.07005	0.3
95.04971	0.5
97.02872	0.9
98.97580	0.4
99.00813	0.7
100.07642	0.4
106.06514	0.4
110.06046	0.3
110.07153	0.5
112.07617	0.4
115.05484	0.4
116.07070	0.3
117.05756	1.0
118.06543	15.7
119.04920	0.6
120.08112	2.5
124.07535	0.3
125.05961	0.3
129.10225	0.5
130.06508	2.1
131.07301	0.4
132.08061	0.6
133.63200	0.3
134.05991	0.5
135.04410	0.3
135.06297	0.5
136.07562	0.8
138.09222	0.4
142.08615	0.5
143.07240	0.3
144.08087	6.8
146.06000	7.5
146.99689	0.3
147.04395	0.8
148.07574	1.5
150.88895	0.3
153.07425	0.5
155.11804	0.3
158.02719	0.3
159.06860	0.5
160.07556	1.0
160.09724	1.0
163.03885	1.0
164.07060	0.5
164.10637	0.4
165.07347	0.7
172.07585	3.2
174.05475	2.1
174.09129	0.8
175.06294	0.8
175.11893	0.4
176.07085	0.8
178.08626	0.8
185.04190	0.8
188.07068	9.2
188.12862	0.3
190.05048	0.5
190.08620	10.4
200.07028	1.2
202.08638	0.7
206.08154	2.5
216.06575	4.2
218.08093	2.6
220.09685	1.8
232.09705	3.4
234.07610	30.0
235.08069	0.5
244.06041	1.3
246.07605	1.2
248.09131	1.0
262.07089	7.3
262.72922	0.3
263.07840	0.7
264.08765	2.4
276.08701	4.8
276.11884	0.5
278.10312	1.5
286.12405	0.5
290.06622	5.4
290.12057	0.3
292.08176	1.8
294.09512	1.0
304.08337	1.5
304.13739	1.2
322.09201	100.0
323.09543	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	322.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.6
56.96554	0.3
65.03936	1.0
69.03425	0.8
69.07049	0.5
70.06258	0.3
70.06593	2.0
72.08150	0.8
72.48840	0.3
78.04710	0.3
79.05504	0.7
79.65989	0.3
83.04989	1.0
84.08138	1.0
85.02908	0.8
85.83366	0.3
86.09695	0.9
87.04472	3.4
90.05557	1.2
91.05484	12.2
92.05834	0.4
93.03426	0.3
95.04942	0.8
97.06512	0.4
98.06059	8.1
101.28483	0.3
103.05465	0.4
105.06985	0.5
106.06576	0.3
107.04959	0.5
111.04460	1.0
116.07092	6.1
118.06577	0.6
119.04948	32.5
120.05265	0.5
120.08102	0.9
122.06020	0.7
129.10217	0.7
131.08586	0.3
133.10129	0.5
135.04425	1.3
138.09117	0.4
139.03886	0.6
140.07085	2.9
146.06024	0.4
147.04417	100.0
148.04790	2.4
158.08165	0.4
160.07579	0.6
161.06093	0.4
165.05513	0.5
174.40738	0.3
176.09193	37.9
177.09581	0.4
268.81927	0.4
304.08838	0.3
304.11700	1.7
322.12885	0.7
322.20227	0.4
323.09146	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	322.1283
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03935	1.8
56.96548	3.1
57.03423	4.2
59.04989	1.0
60.04516	1.3
60.05628	1.4
61.02930	4.8
67.05499	1.5
69.03098	1.0
69.03429	12.8
69.07071	1.0
70.06590	9.2
71.04985	1.9
71.22291	0.8
71.40820	1.8
72.08125	3.0
73.02908	3.6
79.05471	1.3
81.03415	5.3
83.04942	1.1
84.04479	2.1
84.08130	2.2
84.61561	1.1
84.96012	1.2
85.02905	19.8
87.04456	3.5
91.03937	1.7
91.05469	1.4
97.02895	9.4
98.97567	2.2
99.04461	2.1
101.02368	1.0
103.05431	1.1
109.02857	2.8
110.06009	1.3
110.37938	1.1
114.09131	1.0
115.05438	3.3
116.07079	1.4
116.18806	1.2
116.98615	1.9
117.07033	1.1
118.06569	1.9
120.08084	3.6
124.07515	1.1
127.03925	2.9
129.10223	1.2
129.99112	0.9
130.06503	4.2
132.08095	8.8
142.06534	30.3
142.08586	2.3
143.07281	8.4
144.07048	1.3
144.08092	16.4
145.04939	1.4
145.06474	1.1
146.05991	1.0
147.04442	1.7
147.05524	2.1
155.08174	1.1
158.06000	5.3
159.06766	1.8
160.07578	95.0
160.09512	8.4
161.07878	2.0
175.11777	2.3
177.00706	1.0
178.14052	0.9
234.07587	2.9
237.02866	0.9
240.57605	1.2
322.09308	7.4
322.12781	100.0
322.18231	5.1
323.12927	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	322.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
55.05503	1.6
56.05037	1.6
56.96559	7.9
57.03434	4.9
61.02938	4.9
69.03432	14.8
69.60591	7.0
70.06592	5.7
71.04987	2.1
72.08159	1.9
73.02914	5.0
73.14425	0.9
74.97625	1.2
79.05467	1.4
80.05026	1.1
81.03413	6.3
81.07050	2.0
82.06576	7.9
84.04517	1.7
84.08144	1.9
85.02905	26.9
87.04466	2.4
89.54856	0.9
91.03947	1.9
95.25690	0.9
96.08135	15.1
97.02886	11.0
98.06097	1.1
98.20860	1.3
98.97582	13.7
99.04440	3.0
100.07001	1.9
100.07617	24.6
101.00862	1.5
109.02871	4.0
110.01199	1.4
110.97562	2.0
113.03491	1.9
114.09205	1.5
115.03953	1.3
116.07099	1.2
116.98617	8.2
118.06541	2.2
119.01913	4.3
120.02033	3.0
120.08089	1.4
123.05542	2.6
124.07597	20.3
127.03922	6.9
128.98627	3.0
131.00183	1.2
131.01857	1.2
132.02014	2.4
133.01703	1.0
133.03474	1.3
134.03563	1.2
134.99660	4.0
137.02925	1.3
141.06473	0.9
142.08636	57.7
142.47949	1.0
143.01932	1.6
145.04947	5.4
146.99644	2.8
150.99197	1.9
157.03526	1.0
158.99667	4.0
160.09691	100.0
161.03033	2.3
162.03070	1.9
170.99683	1.1
173.02998	2.3
174.03085	2.2
175.02847	1.8
177.00722	4.3
177.04169	1.4
179.02277	0.9
185.02914	1.3
189.00723	2.9
191.03891	2.4
193.00163	2.5
200.04416	4.7
202.02563	2.3
202.10812	2.3
207.01862	1.3
208.99710	1.3
216.06526	1.0
219.01646	2.3
219.03535	1.7
220.03664	8.4
220.99712	1.9
221.03191	3.1
221.05148	1.5
222.05246	1.9
232.03677	1.3
232.07283	1.9
233.06700	1.6
234.07600	3.4
237.02803	4.0
242.07140	2.2
248.03114	1.1
251.04320	1.4
261.02652	1.4
262.08582	1.2
263.00760	3.3
266.04535	1.1
279.03912	1.7
280.09396	2.8
281.01913	1.7
281.05502	1.5
286.12796	2.5
304.13940	2.5
322.11804	50.4
322.15097	34.9
322.18222	1.2
322.19061	1.6
323.07266	4.3
323.12222	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	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
53.11741	0.5
55.01846	1.1
55.05499	1.1
56.96565	4.6
57.03436	2.5
61.02931	4.6
64.65486	0.5
67.78207	0.5
69.03047	0.6
69.03423	10.9
70.06589	1.2
70.34525	1.8
70.98109	0.5
71.04961	1.0
73.02900	2.1
74.97611	0.6
76.76028	0.5
81.03416	4.1
81.07031	1.6
82.06577	6.4
83.01304	0.5
84.08119	0.8
85.02905	21.8
87.04490	2.4
91.03938	1.7
96.08129	14.3
97.02893	8.0
98.97593	4.4
99.04451	1.5
100.07612	23.9
109.02851	2.6
114.05489	0.7
114.09171	0.8
116.98618	3.7
118.06581	0.7
120.02038	0.5
124.07590	22.0
127.03896	5.6
134.99664	1.6
142.08629	61.8
143.09055	0.7
145.04942	2.5
150.99106	0.8
158.99593	0.7
160.09683	100.0
165.00673	0.8
169.00238	0.7
177.00731	0.9
185.04160	1.1
188.06952	0.6
188.97054	1.2
190.08702	0.6
193.00204	2.3
202.10762	1.7
211.01227	0.8
213.97424	0.6
220.99701	0.7
224.99153	0.6
226.10855	0.5
230.98077	1.4
234.07625	1.2
239.00769	0.7
248.99146	0.8
263.00797	1.7
281.01819	1.5
286.12796	0.6
293.64432	0.6
299.03018	0.7
304.13947	1.4
322.08899	2.1
322.11862	6.3
322.15012	40.7
323.07336	2.4
323.15210	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	322.2741
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03954	1.0
54.32083	0.4
55.01884	0.5
55.05511	5.5
57.07083	0.9
59.12471	0.4
60.04529	1.0
62.06091	100.0
63.06415	0.5
67.05145	0.9
67.05506	17.8
69.03419	0.5
69.07072	4.7
70.84351	1.3
79.05491	10.9
81.07058	17.4
83.08633	2.8
85.06546	0.5
88.04010	0.6
91.05475	5.1
93.07040	12.4
95.05000	1.2
95.08611	13.1
95.19722	0.5
97.06546	0.8
97.10186	1.1
98.06040	0.9
105.07025	2.9
107.08592	6.9
109.10157	4.8
115.75331	0.4
117.07027	1.2
119.08585	2.8
121.10157	5.0
123.08128	0.5
123.11694	3.3
125.09687	1.0
131.08603	2.6
133.10156	1.9
135.11713	4.0
137.13258	0.9
144.10179	0.7
145.10141	1.8
147.11710	1.8
149.13216	2.0
159.11728	1.5
161.13306	1.5
163.14839	1.7
173.13257	1.0
177.16393	0.8
186.14934	0.7
187.14912	1.0
200.16454	1.1
214.18097	0.7
226.18040	0.8
228.19733	0.5
240.19598	0.9
242.21254	0.6
243.21100	2.5
261.22159	3.8
266.21280	0.5
291.19510	3.8
304.26404	2.3
305.21402	1.1
305.24777	1.9
322.23666	0.8
322.27432	14.4
323.27524	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	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48168	1.0
71.48795	1.0
72.08139	1.2
78.46897	0.9
79.59672	1.1
94.92468	1.1
94.93026	14.5
98.97566	1.4
112.89603	10.7
114.89338	5.5
116.98608	1.3
119.01875	2.7
121.02515	0.9
142.85474	0.9
143.01888	2.5
150.92058	1.2
160.06032	0.9
161.02992	6.9
161.99471	2.7
162.22282	0.9
173.02940	2.1
203.03998	2.2
206.88644	3.2
227.83369	0.9
248.89642	20.1
323.07391	100.0
323.21872	2.2
324.07886	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	323.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
56.96563	3.8
57.03429	2.6
57.54276	1.8
60.08954	2.1
61.02927	6.5
69.03429	3.8
70.66913	3.8
70.67284	4.2
73.02884	2.1
81.03421	2.6
81.07059	2.4
84.08151	6.3
85.02913	7.6
89.03913	3.4
91.05495	2.8
95.04941	2.1
95.81584	1.9
97.02913	3.4
98.44411	1.8
103.05476	7.8
106.63161	1.9
107.04971	3.8
115.05476	3.9
116.98590	3.0
117.03377	3.1
121.06496	2.0
123.04406	5.4
129.06984	2.3
131.04912	17.7
134.99640	2.8
135.04449	14.5
137.02350	13.9
139.05472	2.5
141.07018	10.9
143.04968	4.8
145.02849	5.9
145.06511	3.3
147.04399	11.5
149.05994	13.6
151.03893	2.2
155.04919	5.1
157.06496	4.3
159.04454	9.9
161.02367	5.9
161.04590	2.5
161.05983	8.7
163.03903	66.7
165.05443	2.6
167.04855	2.2
169.06505	6.6
171.04369	5.8
173.06000	7.4
175.03917	14.7
177.00681	2.3
177.05479	48.2
183.04440	6.2
185.05988	8.0
187.03915	5.9
189.05475	20.4
191.03429	5.8
192.04251	2.1
193.04942	9.6
197.05997	10.8
199.04013	2.4
201.05453	19.1
203.03413	9.3
203.06995	5.5
205.04955	100.0
206.44281	2.0
207.02907	12.8
213.05457	10.1
215.03465	2.4
215.07031	14.9
217.04968	31.4
219.06573	2.8
229.04964	13.5
231.06467	9.7
237.02844	2.7
241.04852	4.0
243.06473	7.8
245.04482	12.9
247.05936	2.8
259.05994	14.6
263.10373	2.7
277.07053	13.8
281.06549	4.4
287.05511	3.8
291.10001	2.8
305.06528	4.6
323.07602	36.0
323.12140	6.0
323.15826	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	323.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01866	0.8
55.05502	0.7
56.05012	0.4
56.96573	2.4
57.03430	0.7
57.07051	0.6
58.02943	0.4
59.05001	0.5
60.04512	0.9
61.02917	1.7
62.26107	0.4
62.84276	0.4
63.60939	0.4
67.05489	0.9
69.03167	0.4
69.03434	4.4
69.45852	2.7
70.06583	3.6
71.04984	0.5
71.06921	1.0
72.08138	0.9
73.02924	1.1
74.06110	0.6
79.05469	0.7
80.05017	4.1
81.03407	1.5
81.39300	0.4
83.04978	1.2
84.04527	0.9
84.08141	2.6
85.02905	7.3
85.06543	0.6
86.03231	0.7
86.09680	0.5
87.04472	0.9
95.08595	0.7
97.02905	3.4
98.97578	4.6
99.04456	0.8
100.03960	1.6
100.07625	0.5
101.06001	0.5
109.02859	0.7
110.97523	0.7
112.07620	0.6
115.91326	0.4
116.98631	4.1
119.01866	0.6
123.05553	100.0
124.05917	0.9
127.03893	2.3
128.98628	1.2
134.99658	1.8
135.04509	0.5
135.05539	10.4
136.07631	0.4
136.95471	0.6
137.05923	0.4
141.06555	0.7
142.08633	0.6
143.09004	0.5
144.04767	1.7
145.04967	0.7
145.08588	0.5
146.99660	1.0
148.03960	0.5
149.01140	0.4
151.05000	3.5
158.99652	2.1
160.09702	2.2
161.01100	0.7
161.04628	1.1
161.10071	2.2
162.03665	0.7
162.11234	3.5
163.05043	2.6
177.00681	4.1
178.96434	0.5
180.07684	33.9
181.08055	0.5
185.04303	1.0
189.00786	1.1
191.03964	1.0
192.04277	0.7
198.08783	3.5
200.04449	1.6
201.00706	0.9
201.04619	1.4
217.09756	0.6
219.01712	3.2
221.02396	1.6
233.06827	1.5
235.04057	1.2
236.99586	0.5
237.02838	2.4
239.03445	1.4
242.07324	1.3
255.03984	1.9
261.03000	0.7
263.10327	0.7
264.06363	0.4
277.05029	0.6
279.03946	2.0
281.07275	0.6
305.10980	0.8
306.04446	0.5
312.25589	0.5
319.67932	0.4
321.08679	0.9
323.07739	0.8
323.11835	23.4
323.15433	2.0
323.19238	2.1
324.11325	0.5
324.16525	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	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01862	1.6
55.05484	1.4
56.96549	1.7
57.07325	1.1
61.37111	1.0
65.03911	1.3
66.04687	1.2
67.05491	2.3
69.03408	1.9
69.07056	2.7
69.50491	2.1
69.50904	6.4
70.06581	1.4
73.02918	1.3
79.05487	3.4
81.03410	4.6
81.07030	4.7
81.86504	1.0
83.04992	1.1
83.08579	1.0
83.87355	0.9
84.10708	1.0
85.02891	1.7
91.05467	4.9
93.07034	1.8
94.04174	4.0
95.04969	1.5
95.08595	1.6
95.27954	1.1
97.02859	1.3
100.11234	1.8
103.05447	2.1
105.07034	9.8
107.04929	3.3
107.08585	2.4
109.06521	6.5
109.10134	2.1
111.04425	1.2
115.05433	4.4
117.03384	1.4
117.07005	1.5
119.08534	1.5
121.06551	1.5
121.10121	2.0
122.03664	8.4
122.06020	1.4
125.26050	1.1
128.06190	2.8
128.72020	1.1
131.01869	1.5
131.04933	2.0
133.06482	5.6
133.10123	1.4
137.05980	100.0
138.06316	1.5
139.05411	1.6
141.06975	1.9
143.04877	1.6
143.08459	1.1
145.06461	1.5
145.10103	1.5
146.03624	9.1
147.08177	1.3
149.05957	2.5
149.09587	1.2
161.05986	71.0
165.05522	1.3
165.06985	1.6
167.07016	5.8
171.08067	3.9
173.05930	1.3
175.07556	2.7
177.05447	2.3
184.05182	4.2
185.05672	1.3
187.07523	1.8
189.05455	1.1
189.07059	2.1
191.08539	3.7
192.09410	2.0
194.07199	1.0
199.07545	42.0
202.07791	18.8
203.06729	2.2
203.08559	31.4
204.09207	1.2
205.06441	2.4
215.08606	1.9
219.08078	11.0
220.08801	11.9
221.09340	3.5
230.07256	3.4
231.08049	47.3
232.08710	10.5
235.11246	2.6
237.09026	1.5
237.11205	1.3
245.09773	2.5
245.12749	1.2
247.07552	10.4
248.08331	24.6
249.09181	5.4
258.06799	3.4
259.07571	29.7
260.08295	16.0
261.09045	2.3
262.09897	2.6
263.10684	25.7
265.05350	1.0
265.08499	4.0
271.10172	1.2
273.08975	1.8
274.09882	1.1
275.06976	4.0
275.10040	1.2
276.07813	16.7
277.08554	13.7
279.10010	1.8
280.11041	1.4
290.09338	2.2
291.10153	71.9
292.10846	16.8
293.08044	6.6
293.11008	1.2
295.13272	7.0
305.11780	1.8
308.10269	6.2
323.09558	2.8
323.12738	78.2
324.13101	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88116	0.3
54.19311	0.4
55.01875	0.9
55.05508	2.3
56.96569	2.6
57.03429	0.9
57.07085	0.5
67.05506	3.0
69.03414	0.5
69.07066	2.1
69.62634	1.6
70.06590	0.6
71.04980	0.6
72.08149	0.8
79.05488	2.5
81.03414	0.6
81.07056	3.6
83.04970	1.5
83.08618	0.9
83.95782	0.3
85.02902	0.4
85.06541	0.5
87.47930	0.4
91.05476	2.8
93.07059	3.7
95.04963	2.3
95.08607	3.7
97.02901	0.4
97.06538	2.3
97.10175	1.7
105.07023	1.4
107.04934	0.7
107.08563	2.1
109.06493	1.2
109.10149	1.8
111.04427	1.0
111.08075	1.2
119.08570	2.1
121.06506	2.4
121.10149	1.0
123.08092	1.3
123.11726	0.8
125.09609	1.0
127.39456	0.4
129.06999	0.4
131.08569	0.6
132.10187	1.4
133.06505	0.6
133.10387	1.2
134.99681	0.5
135.08043	1.4
135.11699	0.6
137.05980	0.8
137.09618	0.8
139.03853	0.5
143.86044	0.3
145.06442	0.5
145.10107	0.7
147.11707	0.6
149.02412	0.5
149.05968	1.2
149.09656	0.7
151.07562	0.4
157.10158	0.7
159.11725	0.5
161.05931	0.6
161.09642	0.8
163.04013	0.4
163.07655	0.4
165.06927	0.5
171.08064	0.4
177.09132	0.6
179.03397	1.6
193.12331	0.5
201.16379	0.5
203.02299	0.5
207.02953	1.4
209.04425	0.9
210.13583	0.4
213.16350	0.4
215.06618	0.4
222.11237	0.4
224.06982	1.5
230.21159	0.8
231.08058	0.5
231.21552	3.4
259.16953	0.5
269.12234	0.5
269.15222	0.4
277.08804	0.5
285.11923	0.5
287.16483	1.4
287.20224	0.4
291.10040	0.7
293.08487	1.1
300.06512	0.5
302.09045	0.5
305.10141	3.2
305.17575	1.2
305.24789	0.4
323.11526	5.0
323.14658	100.0
323.26129	8.9
324.14975	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	323.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01873	0.8
55.05509	3.0
55.93523	0.5
56.96575	2.7
57.03446	0.4
57.07065	0.9
65.03934	0.5
67.05501	3.5
69.03437	1.1
69.07072	3.1
70.95887	0.5
71.01355	0.6
71.05012	0.8
71.48573	0.5
71.49004	0.7
72.93798	1.5
79.05499	3.5
81.03402	2.3
81.07059	6.3
83.05009	1.2
83.08630	1.5
85.02892	1.2
85.06548	0.7
90.94872	0.6
91.05493	3.1
93.07042	3.3
95.04969	1.9
95.08614	5.0
97.06532	1.5
97.10178	3.7
99.04438	0.8
103.05437	0.6
105.07043	2.6
107.04969	1.2
107.08609	2.7
107.10266	0.4
109.06535	1.6
109.10164	3.0
111.04494	0.7
111.08115	1.1
115.05421	0.6
117.07022	1.1
119.08566	2.5
121.06517	2.1
121.10151	2.0
123.04449	0.5
123.08054	1.9
123.11697	1.1
125.09645	1.8
128.06250	0.5
129.07018	0.8
131.04916	0.5
131.08582	1.4
133.10141	1.2
135.08067	1.4
135.11708	1.0
137.05988	1.5
137.13248	0.8
143.08640	0.7
143.10667	0.9
145.10089	0.9
147.08070	0.7
147.11726	1.4
149.05980	3.9
149.09642	0.5
149.13278	0.7
151.07558	1.0
153.09151	0.6
157.10139	1.0
159.11632	0.8
161.06003	1.3
161.09724	0.6
165.07103	0.6
165.76079	0.6
171.08118	0.5
172.98959	0.5
173.11777	0.5
177.09151	0.5
185.13206	0.5
189.09149	0.6
189.11246	0.9
199.07613	0.5
199.14812	0.5
203.08698	0.6
204.06776	0.5
231.08092	0.9
248.08449	0.7
249.02774	0.5
249.11060	1.4
259.17102	0.8
263.10727	1.0
265.05212	2.3
282.06693	3.5
283.06308	8.7
285.10104	0.7
287.13000	0.7
287.16479	1.2
291.10049	1.6
293.08578	0.7
300.07687	1.0
301.07358	1.6
302.08899	0.6
305.13858	0.7
305.17459	1.7
306.07880	1.1
323.14682	100.0
324.14920	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	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11298	0.7
60.63327	0.7
69.50172	1.7
69.50581	4.0
79.05490	3.0
81.05785	3.3
81.07078	1.8
82.06582	0.8
91.05447	1.2
94.06579	1.2
96.08131	10.2
106.06559	1.7
121.72467	0.8
122.06022	1.2
124.07592	38.2
136.07581	63.3
138.09175	3.0
140.07042	1.1
164.07069	100.0
165.07425	2.2
180.39940	0.8
182.08133	79.6
183.08519	2.0
188.22398	0.7
254.84598	0.8
273.54413	0.7
306.13113	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	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01873	0.8
55.05494	0.7
56.40962	0.6
57.03433	1.2
59.40840	0.5
61.02914	0.9
67.05503	1.3
69.03428	3.4
69.07040	0.6
70.06580	1.0
71.22913	0.9
74.80489	0.5
79.05493	1.4
81.03410	1.7
81.07043	1.6
85.02895	8.0
91.05488	4.2
93.07035	1.7
94.06577	1.2
95.04982	0.6
96.04475	0.9
96.08109	1.4
97.02885	1.8
97.06529	2.1
98.06072	0.7
99.04494	0.6
103.03940	1.3
105.03338	0.6
105.06986	0.8
106.06548	0.6
108.04465	1.9
108.08122	2.7
109.02873	0.8
109.05267	1.8
110.06027	0.8
115.05434	1.0
116.05002	1.1
117.05771	0.9
118.06538	16.2
120.08099	0.8
122.05191	1.0
122.06033	12.8
122.06924	0.9
124.07587	15.8
126.05534	0.6
127.03896	1.9
130.06493	4.0
130.12262	0.9
131.27365	0.5
132.08067	2.8
134.05992	1.2
136.07578	63.8
137.05959	0.6
137.08449	2.9
138.09126	6.3
140.07050	3.2
142.06509	1.0
142.08672	0.9
144.04417	3.8
146.05907	0.7
150.05487	7.1
151.06293	0.9
152.07066	10.1
154.08630	14.3
157.10001	0.6
158.06004	1.1
158.09694	0.5
160.07590	4.3
161.04713	3.1
161.06024	1.6
162.05504	22.3
163.08661	0.7
164.07065	100.0
165.07404	1.1
166.08646	0.9
168.06581	3.9
169.07242	0.5
170.08138	1.1
174.09145	2.2
182.08131	15.1
186.05530	1.9
188.10725	0.9
200.10657	0.8
203.08463	0.8
204.06560	7.3
211.08656	0.6
214.10788	0.9
216.10216	1.9
226.10895	0.8
227.11789	1.6
230.10524	1.1
241.13399	0.8
242.11839	1.8
245.12834	1.6
248.08450	0.7
259.14337	3.7
263.10678	1.5
277.15451	1.4
287.13892	30.9
288.08731	0.8
291.10059	2.2
305.14932	18.1
306.09930	1.4
323.09256	0.7
323.12531	2.1
323.15948	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	323.1854
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
50.85893	0.4
53.03941	1.3
55.01876	4.6
55.05512	14.0
56.96547	0.9
57.03434	3.8
57.07071	0.5
59.04988	0.5
65.03932	1.0
67.05507	15.9
69.03431	2.8
69.07069	3.0
70.84955	0.5
70.85296	1.0
71.04977	0.9
77.58442	0.4
79.05496	9.4
81.03424	1.1
81.07056	6.6
83.01331	1.1
83.04971	1.4
83.08618	7.7
85.06546	1.5
91.05481	13.2
93.07040	15.9
95.04977	4.5
95.08614	6.4
97.06520	1.0
97.09572	0.8
97.10173	13.2
98.97612	0.7
103.05463	4.3
105.07032	3.5
107.04952	4.7
107.08595	8.1
109.02894	0.4
109.06516	7.6
109.10154	11.7
111.08081	1.1
113.06004	0.7
117.07035	2.2
119.08580	6.7
121.06515	7.9
121.10147	1.7
123.04435	3.8
123.08073	14.1
125.09640	10.0
128.06218	0.8
129.07016	1.4
131.04924	1.0
131.08549	1.2
133.06522	1.5
133.10141	1.4
134.03647	0.6
134.99660	0.5
135.04420	0.5
135.08052	18.7
135.11681	0.5
136.08362	0.6
137.09621	4.0
143.08575	1.0
145.06471	0.7
145.10152	1.0
147.04506	0.5
147.08051	2.5
149.05980	100.0
150.06303	1.6
151.07452	0.8
153.09143	0.9
155.10660	3.3
157.06543	0.4
157.10031	0.8
159.08060	1.1
161.03888	0.4
161.05960	1.6
161.09636	0.9
163.07568	1.7
165.09137	1.2
169.10175	0.5
171.10162	0.8
173.09544	1.1
173.11736	21.0
174.12131	0.5
175.07561	3.6
175.11281	0.5
177.09154	1.0
181.08618	0.6
183.10187	2.3
185.13019	0.4
189.09409	0.6
189.11223	8.1
191.07132	0.5
203.14293	0.7
231.13748	3.6
241.15894	0.9
259.16977	1.8
269.15323	0.5
277.01056	0.8
277.17969	7.4
287.16382	11.8
288.16693	0.9
295.14627	0.6
305.17465	24.3
306.17789	0.8
323.09970	0.5
323.14774	0.8
323.18509	4.5
323.21893	0.7
323.27686	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	323.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.9
53.54544	2.4
55.01872	20.6
55.05512	88.5
56.96564	40.8
57.03429	14.5
57.07065	5.6
62.89078	3.1
65.03947	6.2
67.05507	57.7
69.03422	18.7
69.07060	35.9
69.63403	12.0
69.63819	4.5
70.06583	3.8
71.04992	11.4
79.05495	65.8
81.03422	9.6
81.07055	88.8
83.04980	22.4
83.08623	31.3
85.02903	10.4
85.06547	9.6
86.09708	11.4
87.10083	3.4
91.05479	56.4
93.07040	67.8
95.04948	21.5
95.08601	55.9
97.02892	9.4
97.06532	33.5
97.10166	67.8
98.97601	5.8
99.04457	3.6
101.06022	3.4
103.05481	5.9
105.03362	4.2
105.07018	45.0
107.04941	49.7
107.08598	52.4
109.02937	4.5
109.06513	53.9
109.10150	33.9
111.04439	6.1
111.08086	15.5
112.08846	4.2
113.06057	3.2
115.05449	8.1
116.98672	4.9
117.07032	13.4
117.22948	3.2
119.04914	5.0
119.08597	24.2
120.08952	3.2
121.06512	20.1
121.10143	22.0
123.04444	10.1
123.08073	38.1
123.11717	10.7
125.09627	45.6
128.06221	5.3
129.06982	9.4
131.04913	4.1
131.08572	16.6
133.06480	13.7
133.10158	12.9
135.08051	68.6
135.11702	10.1
137.05975	100.0
137.09618	13.6
137.13266	4.2
139.03995	3.5
139.07561	25.0
139.11189	3.0
141.06975	4.7
143.00209	5.3
143.08614	6.7
143.10699	10.9
145.06538	7.0
145.10156	10.0
146.03621	6.6
146.99684	3.7
147.04417	6.8
147.08052	13.1
147.11667	8.6
149.05978	95.8
149.09586	15.5
149.13260	6.1
150.06300	3.2
151.03860	3.9
151.07538	24.7
151.11218	5.5
153.09097	18.3
155.10641	4.0
157.10139	8.3
159.08063	7.4
159.11696	7.9
161.01242	6.9
161.05963	39.6
161.09621	11.0
163.03885	6.2
163.07625	4.7
163.11272	3.6
164.06955	3.2
165.06987	3.6
165.09048	6.1
165.12712	3.6
167.07164	3.0
167.08688	3.0
169.10147	4.4
171.08058	7.2
171.10219	6.6
171.11684	7.6
173.09627	6.0
173.11749	22.6
173.13104	5.1
175.07597	11.7
175.11215	5.7
177.00763	4.6
177.09108	8.1
179.07040	12.2
179.10735	4.0
181.06461	3.2
181.08609	6.8
181.10037	3.5
181.48833	3.1
183.10202	6.0
185.01184	3.6
185.09578	8.4
185.13223	5.1
189.00656	6.6
189.06810	4.7
189.09198	7.6
189.11253	16.7
189.12741	5.3
191.10643	5.7
193.12193	3.2
199.07629	20.9
199.11166	4.9
201.09457	2.7
202.07722	12.0
203.08624	14.3
203.10550	3.9
213.00801	3.0
213.16408	5.3
215.06712	4.8
215.63579	2.9
217.12257	4.8
219.08083	4.7
220.08803	8.2
221.05878	3.8
224.06984	7.2
231.01724	5.3
231.08043	22.1
231.13806	5.0
232.08720	5.6
233.07845	4.8
233.64642	4.3
235.13364	3.6
241.08485	3.5
241.12228	3.4
241.15950	5.4
247.07556	4.8
248.08308	12.6
249.03055	6.6
249.05420	7.0
249.09209	3.7
251.14468	4.2
255.09088	4.2
259.07574	10.2
259.09885	5.1
259.16956	29.2
260.08255	9.9
261.06912	7.0
263.10529	13.7
266.05569	3.5
267.03928	4.2
267.06512	5.8
269.15466	13.3
276.07755	9.2
277.08524	8.1
277.17859	14.7
279.06348	3.4
283.08667	4.5
287.16422	54.4
291.10123	37.8
292.10889	9.2
293.08337	4.9
294.05231	5.5
295.06030	7.1
295.09698	4.8
295.13165	5.4
301.09598	27.1
302.09000	5.8
305.17468	71.4
305.24704	9.3
305.66638	4.2
308.10504	4.0
311.09494	3.4
314.67245	4.3
319.10361	3.3
323.05338	7.1
323.09131	17.6
323.12820	44.6
323.18390	18.2
323.25940	5.8
323.67603	16.6
348.51801	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
53.93674	1.5
55.01874	36.2
55.05512	14.5
56.96559	3.4
58.19299	1.4
59.04988	2.3
65.03936	2.1
67.05505	34.8
69.03427	3.0
69.07059	17.1
69.18275	18.9
71.04983	4.8
79.05492	17.3
81.03409	8.6
81.07049	18.9
83.04978	31.7
83.08604	4.5
91.05476	20.4
93.03397	2.0
93.07043	24.5
95.04970	21.1
95.08609	19.6
97.02878	1.9
97.06529	25.5
97.10159	5.6
98.97556	3.3
99.04441	20.1
105.07024	13.9
107.04941	11.9
107.08583	16.7
109.06532	8.1
109.10144	15.4
110.52512	2.0
111.04438	100.0
111.08052	4.4
113.05984	2.3
116.98622	3.4
117.06991	5.5
119.08593	11.7
121.06468	3.4
121.10118	6.9
123.04414	3.3
123.08066	4.8
125.09653	8.9
129.06992	2.4
131.08542	5.0
133.06422	3.6
133.10133	11.2
134.99629	2.9
135.08093	8.7
135.11694	3.2
136.84790	1.7
137.05940	5.6
137.09625	12.9
143.08537	4.3
145.10091	5.1
147.08099	2.6
147.11644	5.0
149.06026	2.7
149.09601	10.8
151.11162	3.2
153.05574	1.7
153.09119	20.8
157.10118	1.8
159.11711	3.9
161.09627	10.1
162.33859	1.9
163.11197	3.7
165.09105	2.9
168.55254	1.7
169.10133	2.4
171.11739	3.1
173.11711	7.8
173.13016	1.8
175.11133	6.2
177.09039	2.3
179.10689	2.6
189.12686	2.7
191.90556	1.8
193.12219	5.3
203.12726	2.4
209.08447	1.9
213.16350	1.9
223.11502	1.7
234.68588	1.8
235.13213	2.1
245.18993	3.6
249.14886	3.4
249.18494	1.9
255.17426	3.8
263.20029	6.3
273.18472	17.3
281.17389	4.6
291.19525	39.3
305.17300	5.6
305.20999	5.4
323.18634	3.9
323.22147	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64999	5.7
53.01487	6.9
53.03941	6.5
55.01868	25.5
55.05514	40.4
57.07084	7.2
63.02552	5.7
65.67298	5.8
67.05512	59.0
69.03423	8.8
69.07067	22.9
71.50191	10.4
79.05500	52.4
81.07063	79.5
83.04977	22.7
83.08640	13.9
85.06543	13.0
91.05482	51.4
93.07037	60.2
93.33528	6.1
95.04969	16.2
95.08600	49.7
95.30714	6.7
101.74918	5.9
105.07030	43.3
107.04941	14.9
107.08582	35.2
109.06535	13.2
109.10154	56.7
111.04443	11.6
111.08098	20.8
116.98682	8.0
117.07008	15.1
119.08578	27.8
121.06486	20.2
121.10126	22.5
123.08067	8.3
123.11767	7.6
125.06062	7.5
129.06978	10.6
131.08554	16.0
133.06520	12.5
133.10115	66.8
135.08049	17.8
135.11722	22.8
137.09636	7.5
139.07571	12.8
141.65283	6.4
143.08551	14.3
145.10138	18.2
147.08063	9.8
147.11726	16.2
149.09602	8.3
151.11177	41.1
157.10146	12.8
161.09647	13.6
163.11255	7.5
165.25148	6.9
175.11220	11.7
179.10687	21.8
183.13803	16.7
185.13339	8.4
189.12761	9.3
231.64127	7.5
245.19048	15.9
263.20099	22.8
273.18582	51.0
291.19534	100.0
307.13794	7.0
323.18643	8.8
323.22159	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01875	3.8
55.05516	15.2
56.96563	4.9
57.03437	8.0
57.07075	3.3
59.04995	2.2
65.03934	1.9
67.05506	35.4
69.03436	3.9
69.07072	33.3
71.04990	8.8
73.06561	6.6
79.05489	23.8
81.03420	2.6
81.07056	37.4
83.04984	5.7
83.08620	7.0
85.06543	6.8
86.09705	4.4
86.82405	1.3
91.05482	19.4
93.07040	28.6
95.04987	12.5
95.08611	24.7
97.06549	9.9
97.10173	5.3
98.97560	1.9
99.08095	100.0
103.05486	1.4
105.07032	19.2
107.04962	4.9
107.08598	20.6
109.06522	23.9
109.10178	11.8
111.08087	6.1
111.11687	1.7
113.06026	5.7
116.98611	2.7
117.07009	7.3
119.08592	12.9
121.06525	5.6
121.10148	15.1
123.04436	2.3
123.08051	10.4
123.11687	7.7
125.09676	3.0
127.07564	5.0
129.07008	5.6
131.08563	12.9
133.06549	2.7
133.10124	12.1
134.99667	2.3
135.08080	14.2
135.11679	7.3
137.05917	1.4
137.09627	4.2
139.11168	2.5
141.09125	2.6
143.08600	6.9
145.10129	9.4
147.08051	5.2
147.11700	5.6
149.05974	6.1
149.09660	6.8
149.13225	3.6
151.11205	3.6
153.09138	1.7
157.10146	6.5
159.08107	2.3
159.11725	5.7
161.09604	7.6
161.13260	4.3
163.11194	4.2
163.14848	3.0
165.09143	3.1
169.10078	2.6
171.11697	4.2
173.09564	2.7
173.11742	2.2
173.13341	2.2
175.11232	3.8
177.09282	2.2
183.11731	3.6
185.13268	1.5
189.11061	1.4
195.11678	3.2
199.14801	3.8
203.14305	2.6
213.16498	3.4
217.15919	8.5
219.13808	1.8
237.16534	2.2
239.07106	2.0
245.19072	3.4
249.14873	2.0
249.18558	2.8
255.17491	6.7
263.20114	3.2
273.18475	27.2
277.00912	2.1
287.16302	4.0
287.20203	1.7
287.23514	2.7
291.19510	16.9
305.14572	1.6
305.17542	8.2
305.21167	13.0
305.24683	3.7
323.18808	1.9
323.22198	1.9
323.26120	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04819	1.3
53.03936	3.0
55.01859	4.9
55.05249	1.7
55.05510	31.5
55.26095	1.1
56.96569	1.6
57.03420	3.4
57.07071	2.1
62.06090	60.5
63.05772	2.1
63.06436	7.9
65.03925	1.2
67.05505	28.9
68.05837	2.0
69.03416	5.2
69.07070	20.1
69.51614	7.9
71.04987	2.8
71.08642	1.4
79.05493	24.4
80.05820	1.9
81.03400	2.2
81.06611	2.3
81.07058	29.2
82.07372	4.0
83.04981	2.6
83.08619	14.8
85.06549	2.0
91.05466	14.1
93.07040	21.5
94.07368	3.4
94.93591	1.1
95.04984	7.7
95.08614	21.7
96.08948	3.3
97.02880	4.9
97.06564	3.0
97.09578	1.6
97.10161	24.3
98.21490	2.7
105.07035	13.6
107.04948	5.0
107.08593	20.4
109.06516	2.5
109.10151	11.8
110.10519	2.4
111.08086	2.1
116.98626	1.6
117.06984	4.6
119.04939	1.4
119.08570	14.0
121.06495	4.0
121.10155	9.8
122.10442	1.6
123.08087	7.0
123.11688	4.1
125.09634	21.3
129.07024	2.9
131.08566	8.3
133.06458	2.7
133.10141	8.7
134.10422	1.5
135.08064	5.4
135.11696	6.0
137.09607	2.5
137.13295	1.7
143.08527	3.8
145.10114	6.4
147.08041	4.8
147.11642	5.6
149.09656	1.8
149.13190	1.6
153.09102	3.8
157.10150	3.4
157.12276	1.2
159.11676	5.3
161.09634	2.9
161.13234	4.7
163.11232	2.4
163.14868	1.6
164.15144	1.3
165.09146	2.0
171.10204	1.3
171.11658	2.1
173.13303	2.0
175.11171	2.5
175.14792	1.3
177.16437	1.3
177.67894	1.1
185.13283	3.3
187.14844	2.9
189.16342	2.3
199.14749	3.2
201.16422	2.7
203.12743	9.8
203.17787	1.4
211.14798	2.2
213.12582	1.4
221.11835	1.3
223.13287	9.3
227.18079	1.6
243.88820	1.3
245.19093	1.9
253.19551	1.3
255.17433	2.3
258.99963	1.4
262.22461	3.3
273.18417	8.3
277.00906	2.7
277.79340	1.1
291.19534	100.0
292.19836	2.8
300.63870	1.1
305.21127	26.7
306.25140	1.8
323.22073	6.4
323.27524	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	323.2215
Annotation	Rapanone
Peak:m/z	Relative Intensity
55.01873	3.4
55.05510	15.4
55.78477	2.5
57.07067	3.2
67.05502	18.3
69.07054	14.2
70.76138	8.0
75.15517	2.6
76.93468	2.6
79.05486	17.3
81.07058	18.3
83.08598	6.1
85.06548	2.6
91.05460	17.8
93.07053	21.7
95.04966	5.3
95.08588	23.9
97.06536	4.0
97.10152	6.5
98.97558	3.6
105.07011	18.8
107.08585	17.1
109.06515	4.7
109.10162	11.6
115.18631	2.6
115.77327	2.9
117.07029	3.8
119.08606	12.4
121.06495	14.1
121.10141	7.4
123.08096	6.4
123.11672	5.3
125.05978	3.9
126.06732	4.1
129.07011	5.3
131.08559	13.9
133.06528	3.7
133.10092	14.8
135.08098	12.3
135.11674	7.9
137.05951	6.1
137.09564	4.8
141.98105	2.9
142.07811	3.3
143.08513	7.4
145.10104	14.3
147.08063	10.7
147.11685	8.8
149.09630	3.4
149.13245	4.2
151.07471	3.1
151.11015	2.9
157.10101	13.8
159.11700	8.2
161.09616	8.6
161.13255	4.7
163.11186	3.9
169.10138	4.0
171.11685	7.2
173.13289	5.8
175.11174	5.4
183.11687	7.8
185.13333	6.0
187.11137	2.9
187.14847	6.4
189.12709	4.4
190.13504	3.4
193.12300	3.5
197.13278	5.7
199.14844	3.7
201.16287	6.4
205.15958	4.3
207.13783	8.0
211.14835	4.2
213.16380	4.6
225.16322	5.3
227.17935	9.8
239.17941	5.0
245.18924	4.8
253.19510	9.6
259.20547	5.2
263.16611	6.3
267.21036	6.1
273.18390	7.8
277.00769	5.6
277.21527	6.8
280.21881	2.8
305.21091	100.0
323.16101	15.3
323.27289	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1077
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
51.20652	0.9
53.03947	1.0
54.99580	1.1
55.05513	1.0
57.03433	4.0
61.02924	5.6
61.95923	0.8
67.05502	1.5
69.03435	15.9
69.65138	6.4
71.04984	1.1
73.02917	3.8
78.28469	0.9
79.05476	1.2
81.03419	6.8
81.07068	1.1
81.40401	0.9
83.18866	0.9
85.02911	28.2
87.04454	1.1
91.05481	9.7
95.04987	1.5
97.02883	6.8
99.04454	2.7
103.03962	5.8
105.07037	1.1
107.04951	1.3
107.28195	0.9
109.02869	3.5
110.06068	1.8
113.05978	1.5
113.46532	0.8
115.05496	4.5
116.04985	4.7
117.05772	3.8
117.80317	0.9
118.06544	76.1
119.06853	1.4
122.06033	2.2
124.07635	2.8
125.07891	1.4
127.03933	4.9
130.06531	15.7
131.07310	2.4
132.08098	13.5
134.06021	2.3
135.04448	3.4
136.07579	8.4
137.06017	1.3
137.07933	7.8
142.06512	4.8
144.04439	23.5
145.04984	2.4
146.06036	1.1
149.05986	1.1
150.05560	1.2
153.07471	1.1
154.08601	2.6
155.08986	1.8
158.06047	3.5
160.07574	19.8
162.05508	100.0
163.03905	1.0
163.05894	2.2
164.07065	11.8
165.07442	12.1
174.05527	3.1
177.05499	1.6
178.08597	1.6
183.08524	1.1
184.07567	1.9
186.05493	11.4
191.08141	11.5
204.06567	32.2
204.08507	1.7
243.08748	0.9
243.12047	1.2
262.10681	1.4
288.08722	3.2
288.14279	7.0
306.09656	2.5
306.15326	4.3
307.12720	1.2
324.13480	1.3
324.16953	1.0
325.13959	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	324.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.05521	1.2
57.03422	2.0
57.07067	0.8
60.33947	0.7
61.02923	1.8
65.03926	0.8
67.05506	4.2
69.03413	2.6
69.07066	1.4
70.06580	2.5
71.04992	2.3
71.48952	1.0
72.08138	1.5
73.02917	0.8
79.05479	2.9
81.03416	1.3
81.07056	10.9
84.04502	0.8
84.08124	2.4
85.02907	11.2
85.06541	52.5
86.09704	3.5
86.45993	0.7
87.04460	8.4
91.05474	6.5
93.07041	0.8
95.04968	1.2
97.02880	3.1
98.97573	0.8
103.07583	3.9
107.04958	10.0
109.02857	1.6
109.06516	6.6
111.05555	2.1
112.07520	0.7
115.07563	3.1
116.98578	0.6
118.06506	6.2
119.04931	7.3
120.05270	0.7
122.09665	0.7
125.07114	1.5
126.05460	1.0
127.03912	2.0
127.07550	51.2
128.07899	0.9
135.04414	1.1
136.07536	0.8
137.05992	0.8
139.05046	3.1
145.02832	0.9
145.04930	2.6
145.08588	4.2
146.05988	2.7
150.09045	1.0
160.07587	0.7
162.05508	1.5
162.09100	1.9
163.03897	100.0
164.04233	7.1
167.11783	1.9
174.05510	1.1
177.05505	1.6
178.08646	2.3
195.11295	6.0
196.09688	0.9
204.10211	2.2
205.06522	0.8
206.08113	3.0
218.09866	0.8
232.09697	0.9
260.09225	2.3
264.10129	0.8
264.12482	1.7
292.11850	9.0
297.07443	1.1
324.10477	1.2
324.15137	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	324.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
53.89373	0.7
55.01860	1.4
55.05500	2.8
56.05023	0.7
57.03423	2.8
57.07082	3.2
58.06600	4.3
58.42640	0.6
60.04245	0.7
60.04525	11.3
61.02921	5.1
67.05492	2.5
69.03428	12.3
69.95656	3.4
70.06217	1.3
70.06595	25.5
71.04987	2.9
72.08147	1.5
73.02910	2.3
73.76083	0.6
74.06085	0.8
75.04460	1.4
79.05482	1.0
80.05006	1.0
81.03409	5.8
81.07072	1.3
82.06562	1.9
82.22161	0.6
83.04980	10.5
84.08143	28.8
85.02906	34.6
85.06554	4.1
85.08476	0.6
86.03181	0.7
86.06013	1.0
87.04460	2.7
87.25450	0.7
88.07630	5.9
91.03944	2.2
96.08104	3.3
97.02891	12.0
97.06506	3.2
97.53364	0.6
98.09692	0.8
98.97573	2.3
99.04451	3.0
100.07595	3.8
101.06013	3.0
102.09160	3.0
108.08109	1.0
109.02863	4.0
109.06532	0.8
114.09173	3.4
116.98595	2.3
118.08641	12.2
123.05556	9.8
124.05924	7.0
124.07624	0.7
126.09145	2.5
127.03902	8.4
127.07533	1.4
128.10724	1.8
129.09129	0.8
134.53903	0.8
135.05467	1.0
136.07664	0.9
137.06030	1.2
144.10197	5.6
145.04919	6.3
145.08601	2.7
146.11732	1.0
158.99672	1.3
160.09708	1.5
161.02922	1.3
161.09973	0.8
162.05446	1.2
162.11255	100.0
163.03847	1.0
163.05031	3.2
163.11621	1.6
164.12860	0.7
165.04549	0.7
167.07222	0.7
177.00725	2.2
180.07680	2.9
181.08075	1.6
182.11894	0.7
204.08705	0.9
206.10306	1.2
219.01830	1.4
220.02144	0.9
237.02695	1.1
306.15381	1.9
324.12180	2.2
324.16510	42.0
325.16809	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	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
51.54951	0.3
52.05227	0.3
53.03939	0.7
55.01863	1.0
55.05514	1.8
56.96576	0.5
57.03439	0.7
57.07086	0.5
58.06630	0.4
67.05499	3.5
69.07066	9.0
69.94719	2.0
79.05492	4.2
81.03400	0.7
81.07058	8.2
83.04979	4.2
83.08592	0.4
86.09706	100.0
87.10030	0.4
91.05479	9.6
93.07046	12.7
95.04967	3.5
95.08605	2.9
95.14301	0.3
97.06538	1.6
99.00597	0.4
103.05438	0.4
105.07033	14.3
107.04961	0.8
107.08596	3.3
108.56731	0.4
109.06517	8.5
109.10164	1.5
111.08098	3.0
119.08594	5.0
121.06525	0.8
121.10133	1.1
123.08082	1.4
123.11723	0.8
128.10719	4.3
129.06999	1.0
131.08565	4.5
132.10202	29.1
133.06512	1.0
133.10121	18.0
135.43082	0.4
137.05986	0.8
142.07765	0.4
143.71133	0.4
147.08055	0.8
147.11685	11.9
147.12840	0.7
149.09662	2.0
149.13237	0.9
151.07584	3.1
151.11177	42.2
152.11623	0.7
156.10208	1.3
157.10132	0.8
165.12755	1.9
167.14374	0.5
175.11195	3.8
192.13820	0.4
193.12250	4.7
210.14841	0.9
222.14877	0.7
238.67686	0.5
260.20099	6.0
278.21155	27.2
279.21417	0.5
306.20593	4.6
324.21701	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	324.2897
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.03939	0.4
55.01867	0.3
55.05513	6.0
57.07073	1.4
60.04532	0.8
62.06092	100.0
65.03956	0.5
67.05508	17.7
69.07075	6.1
70.02962	0.8
71.02081	0.5
71.08649	0.4
79.05505	3.8
81.07059	15.8
83.08620	3.4
85.06543	0.4
85.10182	0.3
88.04029	0.4
91.05487	2.6
93.07052	3.6
95.08610	12.9
97.06541	1.1
97.10181	1.7
98.06059	0.5
99.04471	0.3
105.07058	2.0
105.78964	0.3
107.08585	1.8
109.10165	5.5
111.08114	0.3
111.11782	0.5
119.08617	1.5
121.10155	2.0
121.73554	0.3
123.11694	1.8
130.08638	0.4
131.08553	0.3
133.10167	1.5
135.11723	1.0
137.13284	0.9
144.10165	0.3
147.11716	1.1
149.13268	1.3
151.14867	0.3
158.11798	0.3
161.13254	0.6
163.14915	0.8
164.12654	0.3
166.53757	0.3
175.14856	0.6
177.16426	0.4
179.18018	0.6
189.16260	0.4
240.23392	0.3
245.22762	1.5
263.23767	1.2
306.27917	2.8
307.26227	3.6
324.28986	14.1
324.32846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2896
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
50.13133	0.5
52.52340	0.5
55.05519	7.2
56.96557	0.8
57.07073	2.0
62.06090	100.0
67.05507	18.8
69.07071	7.1
70.02947	0.7
71.08648	1.3
71.50272	0.8
71.59421	0.5
79.05491	5.9
81.07056	19.7
83.04990	0.8
83.08623	3.2
85.10180	0.6
88.03991	0.6
91.05466	3.2
93.07040	6.5
95.05004	1.2
95.08604	14.5
97.06533	1.7
97.10172	1.3
99.08129	0.6
105.07027	3.2
107.08599	3.3
109.10146	5.5
111.04448	0.7
111.08099	0.8
119.08596	2.4
121.10112	2.7
123.08067	0.7
123.11710	2.8
124.75567	0.6
125.87675	0.7
133.10176	2.4
135.08083	2.1
135.11713	1.5
137.13277	1.3
139.11185	0.7
143.08652	0.7
145.10136	1.0
147.11728	1.1
159.11598	0.7
161.13303	0.7
237.15042	0.6
245.22842	2.2
263.23788	1.6
273.10110	0.7
293.21082	1.3
306.27905	3.4
307.22961	1.1
307.26492	3.8
324.28967	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.43554	0.2
53.03937	0.2
55.01853	0.3
55.31633	0.2
65.03921	0.5
70.62947	0.6
79.05483	0.3
81.03370	0.3
85.02895	0.7
91.05486	6.0
95.04942	0.3
97.02884	0.4
103.27733	0.2
107.04955	11.2
114.60012	0.2
119.04942	8.5
135.04411	1.1
145.90392	0.2
163.03902	100.0
164.04233	2.2
180.06511	0.2
231.66187	0.2
283.13095	0.3
293.43362	0.2
313.34464	0.2
334.27509	0.2
336.52750	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	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01858	0.3
57.03424	0.6
57.07063	0.5
57.47110	0.2
65.03914	0.3
67.05493	0.2
69.03416	0.6
70.65756	0.7
71.04984	0.4
79.05488	0.4
81.03412	0.3
82.05435	0.2
84.08132	0.9
85.02903	1.3
85.06525	0.6
87.04472	0.4
87.23519	0.2
91.05479	5.4
95.04960	0.6
97.02898	0.5
103.07573	3.1
107.04955	10.1
108.05249	0.4
117.09159	0.2
118.06502	0.3
119.04939	8.2
123.04462	0.2
127.07536	0.5
135.04404	1.2
145.05017	0.2
145.06491	0.3
163.03896	100.0
164.04218	2.4
165.04393	0.2
216.78358	0.2
254.33968	0.2
265.12808	0.2
297.07504	1.0
307.16534	0.4
325.10831	0.4
325.14642	0.3
325.21204	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	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01617	0.3
55.01871	2.3
57.03440	2.6
57.24123	0.2
59.04991	0.5
61.02917	0.9
69.03430	15.2
69.65046	1.3
70.06574	0.3
71.01334	1.1
71.04993	5.3
72.08096	0.3
73.02899	0.9
79.05485	0.9
81.03419	18.1
83.04962	0.5
84.08109	0.4
85.02901	0.6
87.04467	0.6
91.05457	1.1
93.07047	0.4
95.04956	0.5
97.02879	0.4
98.21474	0.4
99.04460	6.7
107.04951	0.9
116.04973	0.6
117.05489	2.0
118.06540	5.3
119.06861	0.7
120.08128	0.3
135.04390	0.9
137.05930	0.6
143.08653	0.3
145.06464	0.5
145.07602	6.4
147.09169	7.4
151.03848	0.3
162.05525	0.6
162.07861	0.9
163.03888	0.6
163.05853	1.0
163.08688	1.1
167.07043	0.6
172.06303	0.5
173.07106	12.7
173.49606	0.3
175.08661	5.9
179.08961	0.5
187.08766	0.5
191.08148	100.0
192.08487	0.8
203.08131	0.4
205.06773	0.5
205.09715	0.4
215.11768	0.3
233.09270	1.3
271.10785	0.7
281.55600	0.3
289.11804	1.8
293.07932	0.4
307.12881	33.3
308.13397	0.3
325.13928	22.9
334.55215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
56.96561	1.0
57.03433	0.4
61.02914	0.6
69.03410	0.8
69.07057	0.3
70.06577	0.4
70.22696	0.6
70.23095	0.6
73.02903	0.6
81.03439	0.4
84.04498	0.3
84.08151	0.5
85.02910	2.1
87.04478	0.4
91.05466	0.6
96.95232	0.3
97.02892	1.0
98.97569	0.8
109.02843	0.3
116.98601	0.4
117.05664	0.4
118.06533	3.7
118.73144	0.3
119.04955	0.3
127.03911	0.8
128.98596	0.4
133.07610	4.0
134.99652	0.4
145.07602	100.0
146.08394	1.9
146.99640	0.3
147.04449	0.3
147.09163	0.6
150.07744	0.6
150.77080	0.3
151.04915	0.5
152.05717	0.5
153.06433	0.8
163.05006	1.2
163.08656	57.4
193.08284	1.4
195.53961	0.3
196.09518	0.3
217.03485	0.3
217.05414	0.6
237.02776	0.4
321.09952	0.3
325.13919	68.2
326.14169	0.8
339.03409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.05515	0.8
56.96550	0.5
58.69722	0.4
61.46018	0.4
65.31216	0.4
67.05510	0.9
69.03412	0.8
69.07059	0.7
71.49467	0.5
79.05482	1.6
81.03391	0.9
81.07050	1.5
83.08635	0.4
85.02847	0.5
85.06527	0.4
91.05475	1.6
93.07044	1.2
95.04967	0.9
95.08591	1.1
97.06519	1.6
105.07011	0.6
107.04959	1.6
107.08601	0.7
109.06481	0.6
109.10133	0.7
117.06985	0.5
119.04939	0.6
119.08566	0.8
121.10142	0.6
133.02826	0.6
137.05984	0.6
151.07605	0.5
157.10080	0.4
159.08040	0.5
163.03880	0.6
164.57797	0.4
167.07063	0.6
201.05475	0.5
205.06516	0.8
217.69757	0.4
265.08728	1.2
269.12317	1.3
281.11783	0.8
293.08133	1.4
297.11206	0.7
307.09665	0.8
325.16217	100.0
326.16458	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	325.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01873	3.6
55.05515	7.1
56.96566	1.0
57.03440	9.0
57.07069	0.7
59.13668	0.5
59.75079	0.5
65.03932	1.2
67.05505	12.9
69.03436	1.3
69.07072	6.7
70.13227	0.4
70.71957	0.4
71.00703	1.4
71.04990	2.2
71.10467	0.4
79.05496	9.1
81.03420	4.4
81.07057	13.9
83.04986	3.3
83.08620	4.0
85.02923	3.2
85.06541	1.2
91.05474	8.2
93.07040	9.8
95.04968	100.0
95.08604	13.8
96.05309	1.3
97.02901	5.2
97.06533	9.7
97.10165	3.4
98.97543	0.6
99.04453	0.6
103.05457	0.6
105.07042	6.7
107.04958	5.3
107.08582	6.8
109.02861	0.6
109.06520	5.9
109.10161	4.9
111.04460	1.1
111.08061	1.5
112.04018	0.5
115.05446	0.8
117.07011	4.7
119.08582	9.8
121.06506	7.3
121.10154	3.8
123.04449	1.2
123.08066	15.3
123.11675	0.9
125.06008	0.8
125.09624	2.0
128.06184	1.2
129.07004	2.9
130.07764	0.6
131.08577	3.3
133.06473	0.7
133.10152	2.9
135.08083	3.3
135.11702	4.5
137.06044	0.5
137.09605	2.4
137.13269	0.5
139.03922	3.0
139.11136	0.6
141.07018	1.0
141.09093	1.9
143.08537	2.3
145.06483	1.2
145.10130	9.4
147.08052	5.5
147.11723	1.7
149.09607	1.5
149.13286	0.5
149.91675	0.5
151.07524	4.0
151.11105	0.6
153.07022	0.7
153.09073	0.7
155.08545	0.8
157.10155	1.4
159.08073	1.0
159.11674	3.7
161.09628	3.0
161.13269	0.7
163.03967	0.7
163.07530	0.6
163.11179	22.1
165.09103	1.3
169.06572	0.7
169.10130	2.3
171.04453	1.4
171.08037	0.9
171.11714	1.2
173.09624	1.6
177.12766	4.3
179.08427	0.5
183.08099	1.0
185.05920	1.5
185.09544	0.6
187.11153	5.3
189.11235	1.1
189.12836	0.7
191.10545	0.6
192.46144	0.5
195.08131	0.5
197.09694	0.6
199.03926	0.5
199.07472	1.7
200.04750	0.8
200.08295	1.7
201.09190	0.9
205.12231	13.4
207.13907	1.9
211.07501	1.2
223.13284	68.1
224.13603	1.9
225.09253	0.7
227.07068	1.2
228.07817	3.0
229.08589	3.9
233.15393	1.1
239.11035	0.6
239.16402	1.0
243.17393	0.8
245.15292	0.6
261.14853	1.2
261.18430	1.7
263.16467	3.4
271.16931	2.4
279.15945	2.5
279.19168	0.6
281.11716	1.4
281.17505	1.6
283.09546	0.8
289.11731	0.5
289.18008	6.1
292.87881	0.6
297.17062	0.9
307.15378	3.0
307.18997	3.1
325.16357	12.1
325.20496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01873	3.6
55.05515	7.1
56.96566	1.0
57.03440	9.0
57.07069	0.7
59.13668	0.5
59.75079	0.5
65.03932	1.2
67.05505	12.9
69.03436	1.3
69.07072	6.7
70.13227	0.4
70.71957	0.4
71.00703	1.4
71.04990	2.2
71.10467	0.4
79.05496	9.1
81.03420	4.4
81.07057	13.9
83.04986	3.3
83.08620	4.0
85.02923	3.2
85.06541	1.2
91.05474	8.2
93.07040	9.8
95.04968	100.0
95.08604	13.8
96.05309	1.3
97.02901	5.2
97.06533	9.7
97.10165	3.4
98.97543	0.6
99.04453	0.6
103.05457	0.6
105.07042	6.7
107.04958	5.3
107.08582	6.8
109.02861	0.6
109.06520	5.9
109.10161	4.9
111.04460	1.1
111.08061	1.5
112.04018	0.5
115.05446	0.8
117.07011	4.7
119.08582	9.8
121.06506	7.3
121.10154	3.8
123.04449	1.2
123.08066	15.3
123.11675	0.9
125.06008	0.8
125.09624	2.0
128.06184	1.2
129.07004	2.9
130.07764	0.6
131.08577	3.3
133.06473	0.7
133.10152	2.9
135.08083	3.3
135.11702	4.5
137.06044	0.5
137.09605	2.4
137.13269	0.5
139.03922	3.0
139.11136	0.6
141.07018	1.0
141.09093	1.9
143.08537	2.3
145.06483	1.2
145.10130	9.4
147.08052	5.5
147.11723	1.7
149.09607	1.5
149.13286	0.5
149.91675	0.5
151.07524	4.0
151.11105	0.6
153.07022	0.7
153.09073	0.7
155.08545	0.8
157.10155	1.4
159.08073	1.0
159.11674	3.7
161.09628	3.0
161.13269	0.7
163.03967	0.7
163.07530	0.6
163.11179	22.1
165.09103	1.3
169.06572	0.7
169.10130	2.3
171.04453	1.4
171.08037	0.9
171.11714	1.2
173.09624	1.6
177.12766	4.3
179.08427	0.5
183.08099	1.0
185.05920	1.5
185.09544	0.6
187.11153	5.3
189.11235	1.1
189.12836	0.7
191.10545	0.6
192.46144	0.5
195.08131	0.5
197.09694	0.6
199.03926	0.5
199.07472	1.7
200.04750	0.8
200.08295	1.7
201.09190	0.9
205.12231	13.4
207.13907	1.9
211.07501	1.2
223.13284	68.1
224.13603	1.9
225.09253	0.7
227.07068	1.2
228.07817	3.0
229.08589	3.9
233.15393	1.1
239.11035	0.6
239.16402	1.0
243.17393	0.8
245.15292	0.6
261.14853	1.2
261.18430	1.7
263.16467	3.4
271.16931	2.4
279.15945	2.5
279.19168	0.6
281.11716	1.4
281.17505	1.6
283.09546	0.8
289.11731	0.5
289.18008	6.1
292.87881	0.6
297.17062	0.9
307.15378	3.0
307.18997	3.1
325.16357	12.1
325.20496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
53.03937	6.7
55.01881	14.3
55.05515	52.2
56.96551	6.9
57.03436	38.6
57.07072	3.3
62.69934	2.7
65.03947	3.8
66.07030	2.4
66.21728	2.7
67.05505	60.4
69.03432	9.4
69.07072	27.9
69.73608	4.4
69.74023	13.6
71.04978	9.9
72.09663	2.9
79.05496	63.5
81.03413	13.3
81.07056	49.5
82.83534	3.2
83.04978	18.3
83.08628	27.6
85.02913	3.4
85.06555	5.3
91.05492	38.4
93.03360	3.6
93.07043	39.7
95.01321	5.9
95.04974	32.6
95.08602	32.4
97.02891	5.5
97.06534	41.4
97.10184	40.1
99.04494	3.9
99.08070	3.9
105.07052	28.9
107.04951	27.2
107.08601	35.8
109.02924	3.2
109.06516	32.0
109.10153	29.0
111.04444	6.7
111.08103	6.3
113.06022	4.0
115.05477	4.0
115.07540	4.6
117.07020	17.1
117.13144	2.9
119.08583	27.3
121.04440	2.7
121.06480	17.8
121.10132	13.9
123.04427	4.7
123.08056	24.2
123.11702	3.7
125.06021	6.8
125.09636	31.8
128.06200	3.5
129.07010	7.9
130.00386	2.4
131.08530	14.9
133.06519	7.1
133.10152	10.0
135.08049	26.4
135.11681	7.6
137.09637	16.7
141.06987	4.2
143.08617	6.4
145.06480	6.1
145.10139	12.6
147.08018	15.5
147.11667	11.3
149.06012	4.3
149.09650	7.0
151.07567	6.9
153.09099	4.5
155.08554	7.6
157.10147	8.0
159.08070	67.0
159.11688	5.4
161.09631	9.0
163.07576	11.6
163.11234	8.8
169.10133	5.5
171.08163	3.3
171.10208	4.2
171.11662	6.7
173.09633	10.4
174.25583	3.0
175.11243	4.3
177.09135	5.8
183.08076	3.9
185.09619	6.8
187.11150	5.0
189.09496	3.2
189.11247	17.6
189.12727	3.7
191.10687	5.3
193.12314	5.1
197.13329	3.5
201.09177	4.1
211.11205	3.6
215.14276	7.2
223.13272	4.3
225.16359	3.6
229.08594	4.4
233.15318	29.8
237.14864	8.2
243.17491	6.4
251.16577	3.3
253.15892	18.4
256.06332	3.0
261.18561	7.5
271.16940	39.9
275.20151	8.1
289.17978	100.0
307.19073	60.9
307.22488	4.4
325.10941	3.6
325.14838	10.0
325.19937	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	325.2007
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03938	6.0
55.01863	13.4
55.05508	24.0
56.63703	2.3
56.96563	6.8
56.99701	2.6
57.03424	11.2
57.07082	4.6
65.03962	2.6
67.05499	56.3
68.68837	2.7
69.03432	13.1
69.07066	23.3
69.85372	9.2
69.85787	7.5
71.04996	8.3
72.33883	2.5
79.05495	54.4
81.03413	10.6
81.07055	90.0
83.04977	9.5
83.08630	12.5
85.02911	3.8
85.06538	10.6
90.63697	2.6
91.05474	34.1
93.07047	51.4
95.04967	31.3
95.08597	52.3
97.06525	100.0
97.10186	4.4
98.20772	3.0
99.04456	6.8
105.07038	38.9
107.04962	9.2
107.08585	29.3
109.06516	50.1
109.10146	31.2
111.04453	5.3
111.08074	20.3
113.06011	8.1
117.07016	10.2
119.08572	27.4
121.06467	12.4
121.10136	22.0
123.08081	13.0
123.11700	3.6
125.09600	3.7
129.07025	7.6
131.08562	18.4
133.06525	3.8
133.10135	29.9
135.08063	11.4
135.11702	5.6
137.06047	3.4
137.09644	23.0
139.07578	2.9
139.11160	2.7
141.06964	4.3
141.09123	3.5
142.07814	4.9
143.08571	5.3
145.06450	3.0
145.10091	12.6
145.50259	2.4
147.08078	8.0
147.11700	7.5
149.09645	8.7
151.11180	14.8
155.08575	7.0
155.10654	3.5
157.10112	11.0
159.08145	5.7
159.11717	10.0
161.09621	11.3
163.11235	2.5
165.07123	3.3
165.09114	6.7
165.12776	2.9
167.08585	3.1
167.10698	6.4
168.09322	3.7
169.10152	8.8
171.11781	5.4
173.09653	4.6
175.11201	4.9
177.12796	4.2
179.08545	3.0
179.10634	5.1
181.10162	4.7
182.10771	2.8
183.11667	6.9
185.09691	2.9
187.11116	3.9
189.11165	3.9
191.10532	4.9
193.10196	6.4
193.12204	3.2
195.11642	5.3
197.13313	3.3
199.39777	2.9
205.10150	3.4
207.11832	4.0
209.13289	4.9
223.14853	5.6
225.12714	3.4
234.19096	3.2
243.17439	3.6
246.24478	2.9
251.14325	4.2
253.15903	3.6
261.18536	8.4
271.16843	7.1
289.17944	38.7
297.22235	3.9
307.18869	13.2
325.21719	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	325.2008
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03935	8.4
55.01862	26.5
55.05286	5.5
55.05513	68.2
56.96561	12.3
57.03438	23.4
57.07051	7.9
59.04971	5.9
59.31227	4.3
65.03922	4.1
66.19467	4.2
67.05191	6.1
67.05505	73.9
69.03413	16.8
69.07068	41.2
69.39793	35.3
71.04986	12.4
71.35435	4.7
73.09868	4.0
77.84834	4.0
79.05489	69.8
79.48949	4.6
81.03411	22.5
81.07059	73.8
83.01350	9.9
83.04982	36.6
83.08617	43.0
85.02897	9.1
85.06508	4.5
85.33762	4.4
91.05480	38.0
93.06519	4.4
93.07050	68.3
95.04465	3.8
95.04961	28.8
95.08607	55.7
97.05937	6.9
97.06532	97.7
97.10169	37.3
98.06829	4.5
98.97592	5.0
99.04413	8.0
105.07027	37.7
107.04977	21.7
107.08600	41.0
108.91228	3.9
109.06512	26.9
109.10165	39.9
111.04440	20.9
111.08064	18.4
117.07005	18.6
119.04967	7.1
119.08570	37.7
121.06509	16.5
121.10149	27.1
123.04433	6.4
123.08066	100.0
123.11665	6.1
123.67368	4.3
125.05976	8.6
125.09622	28.6
128.06273	4.8
129.06973	9.0
131.08557	22.5
133.06522	5.4
133.10123	11.0
135.08040	24.1
135.11674	17.0
137.09570	23.0
139.07468	4.6
139.11166	4.8
141.07028	6.5
143.08586	10.0
145.06409	9.7
145.10155	33.9
147.08052	12.7
147.11652	10.7
149.09599	10.5
149.13272	5.4
151.07542	8.7
153.06984	7.8
153.09132	10.7
153.12802	7.1
155.08527	18.1
157.10033	5.2
159.08017	12.1
159.11670	9.1
163.03868	5.1
163.07503	7.9
163.11171	42.6
165.07040	5.8
169.06404	4.4
169.10104	5.8
171.04341	5.9
171.08041	8.5
171.11610	6.5
173.09598	15.2
181.12238	20.8
183.08017	16.0
185.05966	13.1
185.09692	4.7
187.11067	6.9
189.11232	18.3
191.10643	19.9
194.07201	6.1
197.09685	6.0
197.13312	5.3
199.07549	16.9
199.11063	5.9
200.04706	8.8
200.08266	12.4
201.09068	12.7
209.11676	35.8
211.07506	18.0
227.06943	10.5
227.12827	33.2
228.07741	27.2
229.08626	26.3
233.15388	12.9
239.07066	6.9
239.16315	6.2
243.17456	7.7
245.15369	5.9
258.99524	4.5
261.18494	15.5
263.16391	38.1
271.16913	20.2
281.11792	7.5
281.17487	6.0
289.18002	54.1
297.11118	5.7
297.14758	14.6
307.13260	8.5
307.18951	50.9
325.10788	8.7
325.14270	66.4
325.20560	13.2
326.14783	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	325.2008
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.52919	6.9
55.01886	8.4
55.05517	45.8
56.96576	6.5
57.03431	25.1
57.07073	6.4
66.67078	6.5
67.05505	45.7
69.07062	18.3
69.17143	5.4
70.02303	31.0
74.48359	6.3
75.79767	5.7
78.59637	6.5
79.05495	37.8
79.88097	6.0
81.03420	6.4
81.07055	37.6
82.30337	7.7
82.86793	6.3
83.04988	11.3
83.08611	14.7
85.06516	16.2
91.05477	29.5
93.07028	27.9
95.04972	31.7
95.08604	29.6
97.06534	38.3
97.10159	21.7
104.87216	6.0
105.07030	22.9
107.04963	12.3
107.08591	20.6
109.06520	97.5
109.10145	18.8
111.08081	9.5
113.05998	33.6
117.07038	7.1
119.08607	11.0
121.06493	16.4
121.10106	8.6
123.08070	20.6
125.09584	15.5
129.07056	10.8
131.08559	12.1
133.10178	8.8
135.08099	13.8
137.09602	12.5
140.23740	5.7
147.08092	13.3
149.09637	10.6
155.08562	12.5
155.10606	8.0
159.08092	33.8
163.07515	8.5
175.11279	8.1
177.09106	10.5
181.08580	13.9
183.37170	7.0
189.11189	15.2
201.09062	13.1
203.02284	6.4
261.18433	25.8
271.16898	13.7
275.71835	7.5
289.18018	58.2
307.19058	100.0
325.14252	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	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.37169	1.8
53.03948	9.6
55.01873	13.2
55.05513	22.5
56.96561	3.0
57.03440	17.6
67.05504	59.0
69.03429	9.4
69.07069	26.9
69.78113	9.4
71.04988	7.5
79.05497	45.4
81.03415	17.5
81.07055	53.7
83.04984	20.0
83.08602	11.1
85.02911	2.3
85.06548	10.1
91.05483	37.6
93.07046	40.4
95.04972	22.1
95.08597	27.7
97.06530	100.0
97.10184	11.5
99.04445	3.0
99.08096	2.9
105.07033	30.6
107.04953	15.3
107.08604	30.0
109.06516	17.5
109.10167	39.2
111.04453	15.2
111.05103	2.7
111.08070	7.8
113.06030	11.8
115.05443	2.5
117.07010	13.8
119.04920	2.5
119.08586	17.9
121.06506	15.6
121.10156	8.9
123.04422	3.9
123.08057	15.9
123.11735	5.1
125.05949	4.1
125.09615	7.7
126.98608	2.2
127.07556	3.3
128.06151	3.1
129.06990	6.5
131.08559	10.9
133.06506	4.9
133.10127	38.2
135.08028	11.5
135.11726	10.5
137.05998	2.4
137.09616	7.2
139.07559	2.4
141.06923	2.6
142.07787	4.1
143.08583	6.2
144.09258	2.5
145.06483	6.6
145.10158	8.8
147.08075	7.0
147.11679	3.3
149.05960	3.0
149.09651	3.4
149.13280	3.7
151.07549	5.5
151.11147	16.1
153.09077	3.9
155.08607	2.9
157.10100	16.1
159.08041	16.4
159.10530	2.2
159.11688	15.3
161.09682	8.3
163.07510	4.6
163.11195	3.7
165.09134	3.2
169.10132	5.9
169.12221	2.6
171.11697	4.4
173.09599	4.1
173.11816	2.5
173.13223	4.1
175.11212	2.5
177.09175	2.7
177.12697	3.9
179.10635	3.5
181.08653	2.3
183.11703	3.1
185.13255	3.0
187.11102	10.5
189.11237	8.1
193.12202	2.8
195.13716	2.7
197.13359	2.5
205.12415	3.7
205.15913	3.4
211.13181	2.8
221.11758	5.4
223.13271	5.9
233.15411	9.2
241.14375	13.3
243.17448	4.7
253.15829	4.8
261.18530	10.1
271.16904	16.6
279.19482	2.3
289.17978	60.7
290.18246	1.9
307.09854	2.4
307.19037	23.7
325.15314	4.7
325.16064	3.6
325.20352	11.0
325.25336	6.6
329.39133	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	325.2007
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
52.64986	0.8
55.01872	3.3
55.05508	6.4
56.96562	1.3
57.03429	3.5
57.28294	0.9
65.03940	1.0
67.05505	22.6
69.03423	1.5
69.07069	14.0
70.24442	0.8
71.04994	1.7
71.05580	1.9
73.02887	0.8
79.05489	13.5
81.03404	3.4
81.07052	16.1
83.04993	2.3
83.08628	1.4
84.87669	0.8
85.06552	1.2
91.05475	7.6
93.07033	11.7
95.04984	5.4
95.08604	100.0
97.02877	1.0
97.06519	6.8
97.10162	1.0
105.07026	12.2
106.07342	1.0
107.04990	2.4
107.08588	4.6
109.02875	1.0
109.06520	5.6
109.10133	2.8
111.08104	2.0
113.09650	1.7
117.06988	2.3
119.08567	6.0
121.06516	3.5
121.10145	6.3
123.08057	14.4
123.11725	1.3
125.09666	1.3
127.58559	0.9
129.06964	0.9
131.08566	3.5
133.06511	2.6
133.10126	3.4
134.06798	0.9
135.08051	5.0
135.11719	1.7
136.08389	2.3
137.09590	1.5
139.11156	1.9
141.09093	6.0
142.07796	1.2
143.08604	1.5
145.10129	3.5
147.08086	1.5
147.11623	1.5
149.09625	2.0
151.07532	2.0
151.11212	1.5
157.10141	2.2
159.10168	35.0
159.11546	1.8
163.11224	1.5
165.09154	1.4
167.08667	0.8
169.10068	1.7
171.11726	0.9
173.13254	1.6
179.10670	1.3
181.10127	1.3
183.11723	1.0
187.11169	1.1
193.10403	0.8
193.12259	3.1
195.11716	0.9
197.11760	1.4
201.12856	1.0
209.11702	3.7
215.17957	1.2
219.14017	1.0
221.13321	1.1
225.16341	1.4
227.14267	1.0
239.12775	1.6
243.17345	1.0
261.18527	8.0
271.16922	1.2
279.19534	14.5
280.18060	2.2
289.17816	4.2
307.18936	8.8
325.19952	11.1
325.24738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.46058	4.8
51.19923	4.7
53.03947	14.1
55.01870	42.9
55.05515	47.6
57.03437	29.4
64.38208	5.3
67.05513	87.3
69.03425	9.7
69.07082	27.1
69.76275	30.3
71.04979	6.8
79.05492	69.5
79.48595	4.7
80.47747	5.8
81.03398	13.7
81.07059	77.9
83.04988	23.3
83.08627	6.9
91.05482	79.4
92.71449	5.0
93.07040	65.6
95.04970	74.4
95.08600	49.0
97.06525	14.2
97.07105	5.0
97.10168	11.9
98.07358	5.4
103.05458	5.9
105.07034	64.8
107.04958	100.0
107.08596	28.7
108.05801	5.8
109.06519	55.6
109.10165	31.2
111.08096	6.8
112.05270	14.7
115.77586	5.0
117.07027	30.2
119.08594	37.0
121.06490	24.2
121.10143	12.9
122.07275	37.4
123.04397	11.9
123.08076	14.8
123.11723	4.9
125.09622	8.2
127.33038	4.8
128.06194	10.7
129.07043	13.3
131.08571	29.3
133.06497	24.8
133.10138	14.8
135.08051	19.1
135.11696	9.0
135.17110	5.1
137.09637	46.6
141.07004	5.6
143.07520	4.8
143.08588	14.3
145.06470	23.4
145.10123	20.9
147.08043	43.5
147.11664	8.4
149.09653	9.4
155.08495	5.1
157.10136	5.8
159.08148	6.9
159.11688	9.8
161.09622	20.7
163.11197	18.9
165.09131	8.2
169.10149	7.5
171.11780	10.4
173.09647	7.0
173.13290	15.6
175.11179	9.5
187.14803	9.7
189.11162	7.9
189.12735	7.5
205.15858	6.6
215.14314	12.9
232.71074	4.8
233.15378	90.0
251.16426	12.5
261.18356	5.7
273.18570	11.0
290.18811	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	325.2009
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
53.03935	2.9
55.01875	6.7
55.05512	16.6
55.48521	1.2
56.96557	2.9
57.03433	19.2
57.07076	1.9
65.03918	2.0
67.05505	31.1
67.99475	1.4
69.03426	6.5
69.07064	13.1
70.52781	4.5
71.04990	7.2
79.05496	22.1
81.03419	31.8
81.07066	24.6
82.91518	1.2
83.04971	6.5
83.08616	8.1
85.02908	3.1
85.06544	6.4
87.04472	2.9
91.05492	16.1
93.07043	16.8
95.04976	27.2
95.08604	23.8
97.02904	2.8
97.06531	47.8
97.10148	12.2
99.04452	2.7
99.08074	2.1
103.05465	1.6
105.07027	12.9
107.04951	13.0
107.08590	12.1
109.02898	2.2
109.06518	100.0
109.10171	10.7
111.04434	3.9
111.08068	4.5
113.06002	19.5
117.07016	6.4
119.08578	8.4
121.06511	17.2
121.10138	5.4
123.08068	46.4
123.08974	1.9
123.11686	1.7
125.09642	9.8
128.06213	1.4
129.07010	5.4
131.08588	5.7
133.06464	3.9
133.10153	3.3
135.08080	7.9
135.11699	3.7
137.06006	3.2
137.09596	10.1
141.07021	1.5
141.09125	20.9
143.08521	4.1
145.10109	5.0
147.08058	5.0
147.11653	2.8
149.09633	4.1
151.07545	5.5
153.09090	7.3
155.08560	2.5
157.10104	5.5
159.08070	13.9
159.11707	3.6
161.09621	3.8
161.13191	1.8
163.07579	4.6
163.11194	2.6
165.05539	1.5
165.09113	5.8
165.12714	1.8
169.08618	3.5
169.10085	2.2
171.04375	2.5
173.09631	2.6
175.07471	2.1
175.11171	2.4
177.12721	1.7
179.10690	2.3
181.06503	1.5
183.08038	2.9
185.09592	2.5
187.11157	2.3
187.14897	2.3
189.11191	7.9
189.12741	2.5
191.10699	2.4
193.12274	2.3
197.09558	1.8
199.07547	3.8
200.04604	2.5
200.08301	1.7
201.05409	2.4
201.12720	1.4
201.16444	1.7
205.12085	1.7
205.15817	1.9
211.07556	2.5
215.14307	4.3
217.12206	3.3
219.13934	2.5
223.13300	4.3
224.09068	1.7
225.09079	3.0
225.16299	1.7
226.14381	1.9
227.07153	1.7
227.14619	4.0
228.07742	2.8
229.08568	7.2
233.15466	9.5
235.13300	4.5
237.14871	3.5
239.07024	4.9
243.17537	2.2
251.16606	1.6
253.12366	1.9
253.15866	5.8
261.18512	6.0
271.16934	11.4
279.19571	2.7
281.11823	7.8
283.09567	1.7
289.17963	41.4
307.19022	33.9
325.10794	3.0
325.14362	19.4
325.20447	5.0
325.25275	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	325.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.8
53.03932	2.3
55.01856	2.7
55.05510	8.2
56.96557	1.8
57.03423	3.3
57.07065	0.9
65.03933	1.4
67.05505	13.8
69.03428	2.1
69.07076	5.7
70.14436	2.9
70.73078	0.7
71.04984	2.7
79.05495	15.2
81.03421	3.8
81.07056	18.7
83.04979	3.9
83.08606	3.3
85.02921	1.7
85.06553	2.0
86.16343	0.7
91.05481	12.5
93.07045	12.2
95.04969	12.0
95.08609	12.5
97.06532	14.5
97.10145	3.1
98.20758	0.8
99.08093	1.1
103.05449	1.1
105.07033	12.0
107.04954	19.7
107.08587	8.0
109.02869	1.7
109.06516	100.0
109.10168	7.5
110.06856	1.2
111.04473	1.0
111.08062	2.4
113.05996	2.5
117.07019	4.2
119.08579	8.8
121.06500	5.2
121.10123	5.3
123.04430	1.5
123.08075	7.5
123.11668	1.3
125.09602	1.9
128.06212	1.4
129.06985	3.4
131.08615	4.2
133.06487	3.6
133.10153	6.8
135.08069	5.3
135.11679	2.1
137.05963	1.4
137.09616	2.8
143.08540	2.6
145.06465	1.8
145.09116	0.9
145.10071	4.3
147.08035	6.8
147.11644	1.6
149.05934	1.7
149.09634	2.3
151.07515	2.7
151.11157	1.9
155.08533	1.9
157.07677	1.2
157.08958	0.9
157.10144	2.8
159.08035	2.6
159.11684	2.5
161.09627	3.7
161.46202	0.8
163.07515	1.6
163.11168	1.2
165.09106	2.3
167.10681	1.3
169.10117	1.8
171.11668	2.3
173.09676	1.6
173.13295	1.4
175.11082	1.2
177.09212	0.9
179.10663	1.1
181.08540	0.9
183.11632	1.2
185.09744	1.0
189.12822	1.0
193.12262	1.2
211.14798	0.9
215.14209	1.2
221.11700	1.1
223.13167	1.1
225.16484	1.2
233.15398	1.8
233.45334	0.8
235.13333	1.0
239.70966	0.8
243.17389	1.8
247.16945	3.7
253.15764	1.2
261.18463	2.2
271.16965	6.7
275.19839	0.8
279.15131	1.1
279.19571	1.7
289.18002	16.7
307.14673	2.4
307.18893	3.7
308.05524	0.8
325.15564	13.8
325.20871	3.1
325.25217	1.8
325.28900	1.6
326.15903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.216
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
51.49669	1.7
53.03937	5.0
55.01862	6.2
55.05517	12.9
56.96550	1.6
57.03429	3.9
57.07082	13.3
60.84198	1.7
65.03939	2.9
67.05504	21.6
69.03424	11.3
69.07079	10.0
69.07389	1.8
70.06577	5.7
70.83680	4.1
70.84054	4.0
71.04981	3.4
71.08652	3.6
79.05499	22.9
81.03415	2.0
81.07059	24.9
83.04984	9.4
83.08608	5.4
85.06509	1.8
88.07635	5.4
91.05477	32.6
91.67838	1.6
93.07039	31.4
95.04970	85.4
95.08593	18.6
97.06529	15.6
102.09172	2.1
103.05463	3.4
105.07034	50.6
107.04942	4.6
107.08578	21.0
109.06519	18.8
109.10148	16.4
111.04419	2.1
111.08096	2.6
115.05457	4.6
116.06203	2.2
116.98653	1.9
117.07013	16.4
119.04928	3.5
119.08585	43.5
121.06490	12.0
121.10150	14.9
123.08058	8.2
125.05951	3.0
125.09629	4.7
128.06177	9.3
129.07016	14.1
130.07747	4.9
131.08559	21.6
133.06458	11.4
133.10124	19.4
135.08040	11.8
135.11685	5.8
136.08362	1.9
137.05974	3.5
137.09608	6.4
139.11215	2.3
141.06993	3.7
142.07785	12.1
143.08559	19.4
144.09319	9.1
145.06467	5.1
145.10120	31.9
147.08043	12.1
147.11665	4.5
149.02365	14.2
149.09607	6.3
153.07056	3.2
154.07774	2.1
155.08556	12.1
155.10596	2.1
156.09344	13.4
157.06569	1.9
157.10135	33.1
158.07263	1.8
159.08080	8.7
159.11688	24.5
161.09644	13.0
161.13235	3.6
163.03864	2.7
163.11208	4.0
165.06981	6.7
165.09192	1.7
166.07803	3.9
167.08571	6.6
168.09351	5.6
169.10147	19.8
170.10905	4.7
171.08041	5.0
171.11708	30.9
172.08856	3.7
173.09648	16.4
173.13249	6.6
175.11214	3.6
179.08588	9.8
180.09306	4.7
181.10115	14.2
182.10922	7.0
183.11673	15.9
185.09604	4.3
185.13243	9.1
187.11140	15.6
187.14801	5.7
189.09087	2.3
189.12781	3.9
191.14281	4.1
192.09283	4.4
193.04965	28.8
193.10104	11.8
194.10881	6.2
195.11694	15.1
196.12447	4.7
197.09558	3.4
197.13248	12.8
198.13963	1.8
199.11133	6.5
199.14819	3.0
201.12727	3.8
203.14333	6.7
205.10164	1.8
205.15903	3.6
206.10777	2.5
207.11674	15.3
208.12480	9.5
209.09619	2.2
209.13281	13.0
210.10516	2.1
210.64076	7.0
211.11171	2.6
211.14807	8.9
213.12715	6.0
213.16371	3.2
215.10571	2.3
215.14285	3.1
218.10904	2.3
219.11714	2.1
221.09587	2.0
221.13223	6.6
222.13937	2.5
223.14787	21.4
224.15694	3.1
224.65631	7.6
225.12807	9.4
225.16299	12.9
227.14316	4.9
228.23221	4.3
233.13210	5.6
234.13895	2.0
235.14789	3.4
237.12589	2.2
237.16402	5.9
238.17159	2.6
239.14261	3.0
239.17905	3.6
241.15846	7.8
243.17424	2.0
245.15340	2.4
247.14801	3.2
249.16403	7.9
250.85246	1.9
251.14328	8.9
251.17943	2.7
255.17247	2.0
256.26367	3.8
262.10699	2.3
263.17883	3.6
267.17456	9.9
269.15329	13.3
271.16870	5.5
279.20947	4.4
281.18869	2.6
283.20401	3.3
289.17661	9.4
297.22110	2.8
300.35635	1.7
307.14496	5.3
307.20575	15.0
325.21603	100.0
325.26013	56.0
325.76215	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	325.2373
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.01266	2.2
55.01859	4.7
55.05278	3.0
55.05511	35.2
56.96555	4.5
57.03426	4.8
57.07069	9.5
57.42310	2.2
57.69978	2.1
62.06079	8.0
64.38955	2.0
67.05508	30.6
69.03408	4.5
69.07067	38.0
70.06568	2.5
70.81493	3.7
70.81850	4.3
71.04976	4.9
71.08628	21.5
79.05494	19.6
81.06602	3.9
81.07053	49.7
83.04974	4.9
83.08620	19.3
85.02869	2.8
85.06535	3.6
91.05470	16.9
93.06600	2.5
93.07053	31.3
95.04970	17.0
95.08600	40.5
97.06526	9.7
97.10155	8.5
98.21572	2.1
98.98620	2.2
99.08093	24.7
105.07034	19.4
107.04951	3.6
107.08598	27.8
108.50587	2.2
109.06509	33.9
109.10148	23.4
111.04467	5.3
111.08064	5.1
113.06006	2.3
116.98634	2.4
117.07050	4.9
119.08582	16.3
121.06477	10.2
121.10130	16.8
123.08025	7.3
123.11695	8.2
125.05960	3.5
131.08569	7.7
133.06468	2.5
133.10146	15.0
133.10968	2.6
134.99561	3.0
135.08069	6.1
135.11710	13.3
137.09637	2.4
139.11162	7.5
142.07841	2.2
143.08527	3.8
145.10133	13.1
147.11673	9.9
149.02374	2.7
149.09627	7.8
149.13254	6.5
151.11250	2.4
155.08577	2.7
157.10120	5.7
159.11679	7.7
161.13290	7.9
163.03902	3.6
163.11182	7.0
163.14828	4.4
165.12747	58.8
169.10089	3.1
171.11665	4.5
173.13255	12.3
174.62875	2.5
175.11287	2.4
175.14879	6.3
177.12741	7.8
177.16295	2.5
181.15822	13.6
183.11652	3.0
185.13249	4.7
187.14767	4.0
191.14333	3.9
193.05051	2.6
197.13255	4.0
201.16399	4.5
203.18011	2.9
204.36523	2.1
213.16382	2.8
215.17917	2.6
223.13170	3.2
227.17690	3.2
229.19409	3.8
241.25102	2.2
243.21014	3.7
251.16460	7.0
251.23744	2.9
255.21033	3.3
261.22147	16.9
268.03851	2.5
269.22510	2.8
271.20456	5.1
275.20010	4.7
279.23264	7.5
289.18387	3.8
289.21634	48.1
290.22144	2.2
293.21213	12.6
307.19098	4.9
307.22675	100.0
308.23096	5.0
325.16403	2.9
325.21695	3.9
325.24951	3.6
325.29120	35.9
334.49905	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	325.2374
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.24062	7.0
55.01870	7.1
55.05516	55.7
55.16706	8.1
56.96581	7.2
57.03442	11.6
57.07066	21.7
67.05501	100.0
69.03426	14.6
69.07081	58.2
69.35046	44.6
69.35468	31.5
70.06602	10.1
71.04983	27.7
71.08648	9.5
73.06563	80.5
79.05487	57.0
81.03452	12.7
81.07060	83.0
83.04945	9.6
83.08627	24.0
91.05487	50.5
93.07058	60.3
95.04967	21.1
95.08615	94.0
97.06522	17.1
97.10164	19.9
105.07021	47.9
107.08603	43.6
109.06546	20.6
109.10158	53.8
111.08144	9.0
117.07028	21.5
118.60510	7.6
119.08586	32.4
121.06526	15.6
121.10160	28.6
123.11720	14.6
125.09673	8.5
131.08611	31.3
133.10159	29.7
135.08055	13.2
135.11707	25.3
137.09616	23.4
145.10112	26.3
145.75061	7.2
147.08049	10.4
147.11713	24.1
149.02429	10.3
149.09700	13.2
157.10196	15.4
159.11641	18.1
163.03983	14.0
163.11130	8.4
171.11728	10.3
173.11786	20.0
173.13235	15.8
177.12703	9.9
187.14868	7.9
193.04999	15.8
247.20526	10.1
257.19031	8.2
275.17523	10.0
275.20010	59.0
307.19376	11.1
307.22693	67.9
325.21301	8.4
325.25882	8.8
325.28717	12.5
325.32257	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	325.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
53.74321	0.5
55.01873	1.4
55.05512	5.9
56.46772	0.4
56.87757	0.4
57.03430	1.1
57.07072	2.4
67.05505	7.5
69.03429	0.9
69.07072	10.9
70.17999	1.9
71.04992	1.8
71.08598	0.6
73.56665	0.4
75.02953	0.4
78.75584	0.5
79.05498	4.7
81.03415	0.7
81.07053	20.5
83.04971	1.7
83.08631	5.7
85.02910	0.8
85.06534	1.0
91.05478	4.3
93.07043	7.9
95.04961	2.0
95.07995	0.9
95.08604	15.8
97.06539	4.2
97.10166	2.5
99.08085	0.9
100.47263	0.5
101.02368	0.7
105.07032	5.2
107.04953	1.0
107.07899	0.7
107.08597	9.9
109.06516	1.4
109.10152	8.3
111.04480	0.6
111.08081	3.0
111.11716	1.4
115.05454	1.2
117.07024	2.7
119.08587	4.2
121.06438	1.0
121.10153	4.9
123.08069	1.1
123.11710	5.0
125.09646	2.8
125.13257	1.9
128.06229	2.1
129.06990	6.7
129.07852	0.9
130.07797	0.7
131.08586	6.2
133.10136	1.9
135.11664	2.9
137.09653	0.6
137.13264	5.9
139.11172	0.8
141.06964	3.0
142.07784	27.2
143.08565	10.7
144.09315	5.9
145.10123	4.1
147.11641	0.6
149.09586	0.7
149.13258	1.6
151.11195	1.0
154.07797	0.8
155.08534	3.8
156.09357	4.5
157.10130	100.0
158.10526	1.4
159.11697	54.4
160.12015	1.1
160.80977	0.5
161.09694	0.6
161.13220	1.6
163.14815	1.7
165.07008	0.9
167.02660	0.9
167.08531	1.3
167.14287	1.1
168.09332	2.4
169.10121	6.4
169.12314	1.0
171.08093	0.5
171.11688	13.9
173.09682	0.6
173.13284	4.1
179.08563	0.9
179.14268	1.4
180.09447	0.6
181.10118	2.0
181.15860	13.4
182.10902	1.4
183.11694	12.4
183.30942	0.5
185.13216	5.6
187.10858	0.6
195.11681	5.4
196.12283	0.5
197.11719	0.7
197.13278	5.8
199.14790	0.9
209.13261	2.9
210.13953	0.6
211.14871	1.3
223.01563	1.0
223.14859	2.6
225.16370	1.5
237.16422	1.1
239.17999	1.2
249.16298	0.8
251.17943	3.1
261.18576	0.6
265.19485	2.1
267.20972	0.8
269.19009	2.2
271.17010	0.5
278.06000	0.6
279.06647	1.2
282.19788	0.8
283.20587	0.8
289.17953	1.6
307.09619	1.9
307.19165	1.4
307.24130	4.8
325.14471	1.3
325.25250	66.2
326.25507	2.4
339.78412	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	325.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.7
56.18695	1.1
57.03423	1.4
57.07061	4.7
59.67816	0.9
67.05509	13.3
69.06704	1.1
69.07065	16.7
69.21104	5.0
69.21533	5.6
71.08627	2.7
79.05493	9.1
81.07056	31.1
83.08622	7.1
85.06532	1.0
91.05466	8.0
93.07049	18.5
95.04968	2.3
95.08605	26.8
97.10167	7.7
99.08115	1.6
105.07034	14.3
107.08591	17.3
107.09305	1.4
109.06516	2.5
109.10149	18.3
111.11673	1.3
117.07014	3.2
119.08587	21.3
121.10143	23.4
123.08084	1.8
123.11687	14.5
126.34528	0.9
129.07011	1.9
131.08559	9.0
133.10132	15.2
135.11697	11.3
137.13232	4.6
143.08569	5.4
144.09396	1.7
145.10124	13.6
147.11707	12.4
149.13235	7.1
151.14836	1.7
157.10164	6.9
159.11691	15.4
161.13283	9.7
163.03888	1.2
163.14822	3.6
171.01395	2.0
171.11723	7.0
172.12440	1.6
173.13274	11.5
175.14816	5.3
177.16393	2.7
183.11763	2.4
185.13243	7.1
186.13884	1.9
187.14832	10.0
189.16391	6.6
191.17870	2.2
197.13232	2.5
197.89069	1.0
198.14056	1.4
199.14801	7.3
201.16350	9.6
203.17953	11.1
211.14853	2.9
213.16345	5.4
215.17966	12.4
217.19493	2.6
225.16531	1.5
227.17926	11.9
229.19485	11.9
239.17909	1.6
240.18768	1.6
241.19540	11.7
243.21053	2.7
253.19447	3.4
255.21091	13.7
256.21783	1.2
267.20895	2.3
269.22641	7.6
275.20078	1.5
281.22635	1.1
282.23422	2.4
283.24231	4.6
293.20990	2.2
308.12891	1.1
325.23871	7.8
325.28888	100.0
326.29187	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	327.1587
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02380	0.8
53.03950	1.5
54.84479	0.6
55.01869	1.3
56.96566	1.8
57.03424	0.9
57.36884	0.5
65.03948	0.5
67.05508	1.3
69.03428	2.0
69.49139	3.7
70.98129	0.7
79.05492	3.9
81.03416	1.5
81.07057	1.9
83.04988	1.6
84.08138	1.1
85.02903	2.3
91.05473	6.2
93.07044	1.7
94.04179	2.2
95.04966	3.2
97.02886	1.8
98.98466	96.5
103.05467	19.8
105.07034	9.6
107.04941	5.8
109.02874	0.8
109.06516	3.2
111.04414	1.0
112.74707	0.6
115.05468	1.5
116.98740	0.8
116.99483	3.9
117.07033	2.3
119.04969	1.1
119.08571	0.5
120.08105	2.2
121.06501	7.9
122.03645	6.7
123.04449	0.8
123.08062	1.5
127.03970	0.8
128.06282	0.7
128.98637	0.9
129.07028	0.7
131.04930	22.4
133.06488	37.7
134.06870	0.6
135.04390	4.5
135.08049	13.7
136.05247	0.8
137.05975	100.0
138.06326	1.8
139.03914	4.8
142.67711	0.5
143.04919	1.8
143.08499	1.0
145.06473	7.8
147.04395	0.9
147.08026	2.2
149.05974	2.9
151.03925	1.7
151.07544	12.5
153.05431	1.5
155.00146	0.9
157.06430	3.3
158.99673	1.0
159.04449	0.7
159.08017	0.5
160.05188	0.9
161.05983	2.6
162.06732	1.2
163.07541	57.2
164.07922	0.6
165.05486	3.2
165.06871	0.9
167.07085	3.1
167.08357	0.6
170.99707	0.7
171.08046	1.6
173.01175	1.4
174.99217	10.6
175.07547	4.8
177.00679	1.1
177.05475	1.1
177.09140	1.4
179.08562	0.8
182.99661	0.9
187.07552	2.1
188.04701	2.4
188.08231	0.7
189.09123	3.1
191.06917	0.6
193.06497	1.2
194.07317	0.7
195.06560	0.6
201.00696	2.1
202.07698	0.6
203.02274	1.2
203.07025	3.4
203.08789	0.6
203.10667	2.3
207.08017	1.4
211.04439	1.5
213.00710	0.6
220.04890	0.8
220.08795	0.9
221.05954	1.7
221.09396	0.6
222.99110	1.4
223.05385	1.2
223.07449	0.7
224.05026	0.6
225.09090	1.6
227.02130	0.6
235.07433	0.8
235.11180	1.9
241.00096	1.1
245.09587	1.5
246.06500	2.1
248.08264	0.8
249.09087	1.2
250.99962	1.0
252.07866	1.2
253.08572	2.7
255.06917	0.9
261.02893	0.6
263.10663	5.3
265.00146	0.6
265.03748	0.8
267.10156	2.3
267.13165	0.5
277.08582	0.6
280.07407	0.7
285.11115	2.2
294.08920	0.6
295.09766	1.3
295.13254	9.9
309.11096	1.8
327.12180	16.7
327.15915	8.7
328.12683	1.4
329.85074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1592
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03933	0.5
53.14882	0.5
55.01871	1.2
57.03434	0.5
58.60092	0.4
67.05491	1.1
69.03424	0.6
69.07051	0.5
69.29179	0.5
70.17188	2.2
79.05493	2.7
81.07059	1.8
86.09677	0.8
91.05481	4.3
93.07034	1.2
94.04191	2.5
95.04967	2.1
95.08588	0.6
97.06536	0.8
98.98469	54.7
103.05464	20.0
105.03352	0.5
105.07038	8.6
107.04932	3.5
107.08610	0.9
109.06497	2.7
115.05466	2.0
116.99498	1.1
117.07023	2.6
119.04924	1.2
119.08582	0.8
121.06506	7.1
121.10195	0.6
122.03651	7.0
123.04432	0.6
123.08083	1.2
128.06259	0.9
129.06981	1.0
131.03928	0.8
131.04932	22.0
133.06491	34.1
135.08057	11.2
136.05238	1.0
137.05978	100.0
138.06311	1.7
143.08507	1.0
145.06479	8.1
147.04376	0.7
147.08044	2.4
149.06015	2.4
151.07547	13.6
157.06488	2.4
160.05290	0.6
162.06755	1.1
163.07542	55.8
164.07892	1.1
165.09023	0.9
171.08067	1.5
174.99245	6.7
175.07541	3.8
177.09096	1.7
182.07259	0.5
187.07573	1.5
189.09142	2.2
190.34973	0.5
192.09302	0.6
203.10612	1.4
206.07135	0.5
207.08025	0.8
217.10129	0.6
220.08812	0.7
235.11145	2.4
235.13374	1.3
245.09615	1.5
248.08421	0.9
251.00053	1.3
263.10651	4.8
277.08511	0.6
295.09879	0.5
295.13251	10.8
309.10806	0.5
312.13321	0.6
327.08353	0.5
327.12183	1.5
327.15860	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	327.2162
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
55.01876	22.2
55.05505	7.8
57.03438	9.5
63.51843	1.5
63.56696	1.7
65.03938	2.9
67.05149	2.2
67.05505	27.8
69.03426	2.8
69.07076	11.6
70.75756	4.6
71.05001	5.4
77.37117	1.4
79.05505	12.2
81.03400	3.5
81.07057	24.5
83.04987	12.3
83.08617	6.2
85.02930	2.1
85.06523	3.6
91.05472	16.6
93.07040	19.9
95.05001	12.5
95.08607	19.1
97.06531	21.0
97.10170	2.8
98.98469	100.0
99.04489	2.8
105.07037	14.4
107.04957	4.7
107.08582	9.1
109.06523	5.5
109.10146	14.9
111.04432	16.9
111.05064	1.8
111.08099	6.8
116.99503	3.7
117.07026	2.5
119.08566	9.5
121.06512	2.4
121.10164	5.3
123.08074	3.9
125.05996	4.8
125.09631	6.3
129.05498	3.4
129.06990	2.2
131.08572	6.0
133.10173	9.4
137.05992	3.7
137.09634	3.7
137.13199	2.1
147.11662	8.5
151.07535	1.8
151.11128	2.7
153.08972	2.2
157.10168	4.5
165.12788	5.4
173.11710	4.2
174.99225	9.8
175.11241	4.6
183.13814	29.1
193.12265	3.7
211.13281	56.5
211.15302	2.9
263.20084	18.1
267.16010	2.1
273.18542	2.1
278.53101	1.8
281.21112	73.8
282.21274	3.2
291.19736	9.1
309.20621	19.5
327.21637	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	327.2166
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
50.92740	0.7
55.01859	1.0
55.05283	0.7
55.05513	5.7
57.03428	1.2
66.19221	0.6
66.97849	0.7
67.05501	10.6
67.06378	0.7
69.03415	1.6
69.07068	4.7
69.84945	4.2
71.04978	1.3
71.08634	14.6
77.35925	0.8
79.05495	5.8
81.03421	1.9
81.07061	5.7
83.04971	1.5
83.08602	2.6
85.06519	0.7
85.24954	0.7
91.05484	4.3
93.07050	5.5
93.11937	0.8
95.04951	1.5
95.08611	29.6
97.06532	2.2
97.10176	4.3
98.21510	1.4
98.98470	100.0
99.08094	14.7
105.07009	2.1
107.08604	3.7
109.10155	6.3
111.08048	1.3
116.99506	2.6
117.07062	0.9
119.08557	2.3
121.06436	1.0
121.10104	2.9
123.04348	0.7
123.08039	1.6
125.09608	4.0
131.08493	0.9
133.10164	1.3
135.08046	1.3
137.05995	0.9
141.09082	2.3
144.96098	0.7
145.10037	0.7
147.08014	1.0
147.11685	1.8
149.09619	2.3
151.11168	1.0
153.09108	1.9
157.10115	1.1
159.10147	8.2
163.11218	1.2
165.12761	1.3
167.10608	1.1
173.11743	2.3
174.99222	12.3
177.12656	0.9
189.11176	3.7
189.12704	1.5
193.12256	2.5
196.10277	0.8
245.19150	1.5
251.00093	1.6
263.20078	9.8
275.19919	1.1
281.21152	7.7
291.19510	6.9
309.20648	1.8
327.07870	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
53.93019	1.9
55.01871	2.0
55.05521	10.2
57.03431	3.3
57.07066	6.5
64.72736	1.9
64.83710	2.2
67.05505	23.8
68.95318	1.8
69.07055	9.6
69.17301	5.5
69.17709	18.9
70.45284	1.9
79.05494	22.3
81.03400	3.0
81.07053	25.7
83.04976	3.3
83.08618	4.4
91.05485	29.4
93.07047	59.2
93.07641	3.1
95.04969	60.4
95.08613	39.4
97.06536	14.2
97.86003	3.2
98.21502	3.7
98.66947	2.0
98.98466	100.0
105.04526	2.8
105.07030	51.8
107.04955	3.4
107.08585	29.8
108.49417	2.1
109.06502	8.8
109.09572	2.0
109.10177	18.5
115.05488	3.1
116.06258	2.6
116.29846	2.1
117.07029	14.4
119.08576	48.1
121.06506	13.5
121.10145	24.6
123.08073	10.0
123.11687	7.2
128.06235	4.7
129.06989	7.3
129.89056	2.2
130.07813	5.3
130.45625	2.2
131.08553	27.0
133.10130	35.1
135.08035	11.3
135.11705	9.0
137.09607	5.0
141.06952	5.2
142.07733	9.6
143.08578	14.3
144.09355	7.1
145.10123	31.3
147.11711	10.1
149.09633	4.3
151.11172	2.5
152.06177	4.9
153.06961	5.6
155.08539	4.0
156.09305	4.6
157.10120	23.9
158.10919	3.0
159.11688	27.7
161.09596	9.8
161.13184	4.4
163.11174	3.3
169.10077	12.4
170.10887	3.0
171.11710	9.8
173.09538	3.3
173.13252	16.3
174.99170	11.0
175.11198	3.4
175.14841	19.8
179.08543	3.5
181.10103	3.8
183.11717	10.0
185.09662	2.7
185.13248	8.9
187.11259	5.7
187.14777	12.3
195.11771	2.4
197.13242	6.2
199.14848	7.5
201.16280	3.6
207.11717	3.3
209.13252	8.3
211.14813	6.8
215.14404	3.3
217.15820	4.3
225.16321	3.5
226.79451	2.3
227.14207	2.8
233.03671	4.8
235.14835	4.3
239.17976	3.4
251.04558	2.6
253.15900	2.8
265.19376	2.2
271.45453	2.3
291.20950	5.7
309.22037	8.4
327.07724	24.6
327.23117	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87454	1.4
53.03946	2.5
55.01858	1.3
55.05519	6.8
57.03451	1.6
57.07066	4.5
58.84722	1.3
59.05010	1.3
59.50343	1.3
67.05515	16.1
69.07069	7.8
69.65124	3.8
69.65536	6.5
71.08617	1.9
77.56622	1.4
79.05491	9.2
81.03410	1.9
81.07050	15.7
83.08610	3.1
85.06538	2.4
91.05476	16.7
93.07047	35.4
95.04388	2.7
95.04971	35.5
95.08604	25.0
97.06525	7.1
98.98466	100.0
105.07028	27.9
107.08599	21.2
109.06483	5.5
109.10152	10.3
115.05432	2.1
116.06187	2.1
116.99508	2.5
117.07007	7.0
119.08576	27.7
121.06534	8.2
121.10129	15.1
123.08058	5.5
123.11705	4.6
128.06213	3.1
129.06995	4.5
130.07758	3.4
131.08559	12.6
133.10124	19.3
135.08032	5.4
135.11667	5.1
137.09564	2.7
142.07780	5.7
143.08569	10.9
144.09346	3.2
145.10120	19.8
147.08076	3.0
147.11685	5.4
149.13272	1.5
154.94142	2.4
155.08582	4.2
156.09335	3.9
157.10115	15.7
158.10892	2.4
159.08066	2.1
159.11705	21.5
161.09618	5.7
161.13251	3.2
163.11139	1.8
167.08644	2.4
169.10135	6.6
170.10776	1.5
171.11678	9.4
172.95258	2.3
173.13298	8.6
174.99197	13.7
175.14775	9.7
179.08504	3.7
181.10068	2.8
182.10847	2.4
183.11668	5.2
185.13199	4.0
187.11182	3.1
187.14793	9.7
189.16461	1.6
193.10226	2.2
195.11723	3.5
197.13243	6.1
199.14859	6.7
201.16321	2.6
207.11699	2.5
209.13269	4.2
211.14822	3.8
213.16391	2.0
217.15848	3.5
221.13257	2.0
223.14861	2.0
225.16333	2.4
227.14325	2.1
229.16035	1.8
235.14888	3.3
237.16417	1.9
239.93710	1.5
249.16231	1.7
265.19824	1.4
306.12561	1.4
309.22263	3.5
327.07736	2.3
327.23157	8.8
335.00378	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.05503	2.7
56.25966	0.6
56.96567	0.8
57.03429	0.9
57.07074	1.0
66.42371	0.5
67.05495	5.7
68.45855	0.4
69.03432	0.9
69.07070	2.9
70.06541	2.6
71.04984	0.8
71.08623	0.6
77.01576	0.5
79.05494	3.2
81.03432	0.9
81.07052	5.0
83.08644	1.1
85.06559	1.2
87.37143	0.5
91.05481	5.7
93.07047	9.4
95.04969	9.5
95.08603	8.9
97.06527	3.4
97.10149	0.6
98.98466	100.0
99.08083	0.5
103.05474	0.5
105.06398	0.9
105.07034	7.0
107.08598	4.5
109.06499	1.6
109.10152	3.7
112.22030	0.5
113.82688	0.4
115.05484	0.5
116.99498	4.7
117.07019	2.8
119.08572	7.3
121.06520	2.1
121.10162	4.4
123.08060	1.3
123.11704	1.3
127.06609	0.5
128.06239	0.5
128.23146	0.5
129.06992	1.0
130.07788	0.9
131.08572	3.2
133.06415	0.6
133.10130	5.5
135.08058	1.8
135.11656	1.4
137.09676	0.6
140.01088	1.4
142.07796	1.7
143.08620	2.8
144.09308	0.9
145.10135	4.9
147.07956	0.5
147.11705	1.6
149.09622	0.8
149.13268	0.6
151.11179	0.6
155.08585	1.1
155.10683	2.4
156.09319	0.6
157.10152	4.3
159.08070	0.8
159.11679	4.0
161.09625	1.9
161.13287	0.6
163.11191	0.6
165.06967	0.5
167.08578	1.0
169.10124	1.6
170.10847	0.6
171.10464	0.5
171.11624	2.7
173.11868	0.6
173.13268	2.0
174.99220	12.6
175.14809	2.3
183.11745	1.6
185.13287	1.4
187.11223	0.9
187.14816	1.8
195.11736	0.9
197.13245	1.4
199.14847	1.1
201.16393	1.1
207.11719	0.8
209.13316	0.9
211.14856	1.0
223.14778	0.7
225.16338	1.1
229.16095	0.6
251.00108	1.3
289.17789	0.8
291.19565	0.6
308.97049	0.5
309.22217	0.7
327.08243	0.6
327.19772	0.7
327.23248	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01863	0.5
55.05512	3.6
56.96548	1.4
57.03432	1.0
57.07062	1.7
58.22588	0.5
65.03931	0.5
67.05507	8.2
69.03433	0.9
69.07069	5.5
69.70392	3.2
71.05008	0.5
71.70699	0.5
79.05484	4.8
81.03411	1.4
81.07051	9.1
83.04987	1.2
83.08619	3.1
85.06544	0.9
91.05478	7.9
91.41079	0.5
93.06499	1.0
93.07043	13.9
95.04967	13.3
95.08604	11.9
97.06535	3.7
97.10161	1.2
98.98465	100.0
103.05509	0.7
105.07028	10.9
107.08593	6.9
109.06503	2.9
109.10152	5.9
115.05472	1.5
116.68717	0.5
116.99505	4.6
117.07029	3.1
119.08581	11.4
120.88243	0.5
121.06485	2.7
121.10146	6.5
123.08068	2.9
123.11707	1.9
125.09665	0.6
128.06256	1.0
129.07008	2.2
130.07881	0.6
131.08574	4.3
133.10146	7.5
135.08070	2.2
135.11647	2.8
136.08408	0.6
137.09627	1.2
140.01085	1.0
142.07785	1.9
143.08519	2.7
144.09369	1.4
145.06456	0.9
145.10133	6.7
147.08067	0.9
147.11728	3.0
149.09607	1.5
149.13205	0.6
151.11264	0.6
155.08554	1.3
155.10667	0.7
156.09370	1.2
157.10127	5.2
157.24425	0.5
158.10880	0.9
159.08098	0.8
159.11696	7.6
161.09660	2.3
161.13295	1.7
165.07036	0.9
169.10132	3.0
170.10925	0.7
171.11711	2.4
172.12439	0.8
173.09659	1.2
173.13286	3.1
174.99223	13.3
175.11163	1.0
175.14867	2.9
179.08470	0.6
181.10132	0.8
182.10869	0.9
183.11685	2.4
185.13284	1.6
187.11221	1.2
187.14786	2.7
189.16415	0.9
194.10870	0.7
195.11661	0.9
196.12509	0.7
197.13263	2.6
199.14850	1.9
201.16356	1.0
206.10860	0.5
207.11649	0.7
209.13269	1.8
211.14818	1.3
213.16496	1.2
217.15916	1.0
221.13243	0.7
225.16345	0.9
232.96439	0.6
235.14931	0.8
250.97581	1.1
250.99957	1.1
253.15878	0.8
309.22055	1.5
327.07718	1.0
327.23373	2.2
327.26218	0.6
334.03610	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01857	3.3
55.05500	8.3
57.03432	1.5
57.07069	10.7
65.99107	1.1
67.05506	17.2
69.03429	1.6
69.07064	9.4
69.15181	1.1
69.76093	7.7
71.04986	1.7
71.08625	4.0
79.05493	13.4
81.03420	3.0
81.07056	20.9
83.04980	1.9
83.08612	4.5
85.06536	2.0
85.10168	2.8
87.68113	1.1
89.83069	1.2
91.05478	21.3
92.99422	1.1
93.07048	42.4
95.04966	38.5
95.08604	29.0
97.06538	10.5
98.98466	100.0
105.04508	1.4
105.07036	31.1
105.38342	1.0
107.08589	19.1
109.06518	4.8
109.10155	14.7
109.71326	1.0
111.08075	1.6
116.99506	3.3
117.07033	9.6
119.08583	30.7
121.06509	8.5
121.10146	19.5
123.08084	7.2
123.11709	3.3
125.09679	1.3
128.06242	3.0
129.06995	6.0
130.07793	3.0
131.08556	14.2
133.06601	1.2
133.10124	21.2
135.08038	6.0
135.11697	7.4
136.93095	1.9
137.09607	2.8
141.06981	1.4
141.69113	1.3
142.07764	5.0
143.08531	9.5
144.09340	4.1
145.06493	2.0
145.10123	21.0
147.08052	1.7
147.11681	7.5
149.09641	2.7
149.13272	1.6
151.11113	1.5
153.07013	2.1
154.94217	3.0
155.08582	4.4
156.09370	5.6
157.10126	17.6
158.10895	2.3
159.08144	2.6
159.11702	19.4
161.09579	8.0
161.13255	2.6
163.11201	1.8
167.08614	2.9
168.09248	1.3
169.10165	6.0
170.10886	2.4
171.11681	7.6
172.12317	1.3
172.95271	7.4
173.09627	2.3
173.13254	9.1
174.99228	13.5
175.14816	10.8
179.08528	2.3
180.09344	1.6
181.10062	2.8
182.10841	3.1
183.11685	5.7
184.12379	1.5
185.13283	6.7
186.13976	1.3
187.11203	4.4
187.14803	8.8
190.96283	3.7
191.08357	1.2
193.10213	1.3
194.10925	2.3
195.11731	2.8
195.67917	1.1
196.12354	2.3
197.13271	4.6
199.14807	6.4
201.12787	1.5
201.16377	2.7
205.15935	2.1
207.11639	2.4
209.13252	4.9
211.14796	4.3
213.16353	2.3
215.14220	1.6
217.15710	2.6
221.13251	1.7
223.14784	3.3
224.15741	1.2
225.16422	3.4
227.14270	2.5
227.21255	1.3
228.97903	1.6
229.15762	1.2
235.14864	3.1
239.17883	2.0
246.98933	1.3
250.99956	1.6
253.15771	1.4
265.19345	1.9
277.21674	1.9
291.20999	2.2
295.22620	4.1
306.12878	2.4
306.63129	1.5
309.22101	3.0
316.99380	1.5
327.07684	5.8
327.19827	1.5
327.23062	8.5
335.00452	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	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01854	2.6
55.05512	20.8
56.96539	1.1
59.04999	0.8
65.03973	0.9
67.05500	7.8
69.03424	1.7
69.07070	10.9
70.46315	0.9
79.05497	9.6
81.07053	7.6
83.04970	2.1
83.08611	13.7
91.05480	5.9
93.07056	4.7
95.04950	0.9
95.08609	3.7
97.06525	2.7
97.09564	1.5
97.10171	21.8
98.98466	100.0
101.09704	0.9
102.34805	0.8
105.07035	5.8
107.04924	1.3
107.08592	27.3
109.06486	1.1
109.10173	2.1
111.08080	1.2
116.99501	4.7
117.06995	1.5
117.60936	0.7
119.08591	2.6
121.10124	1.6
123.11747	0.9
125.09625	22.8
131.08539	1.3
133.10136	3.8
135.08044	2.6
135.11725	1.6
140.01111	1.0
143.10640	0.8
145.10143	1.7
147.11684	2.7
149.09665	2.2
153.09099	1.7
159.11723	1.4
161.13298	1.0
163.11176	0.9
167.10635	1.3
171.10184	2.3
174.99228	10.3
175.99500	0.8
176.98953	3.3
189.11217	36.0
232.96451	1.1
239.32954	1.0
250.97455	1.3
252.99756	1.2
257.18982	3.6
275.20065	25.2
280.95056	0.8
293.21066	2.1
329.17453	1.1
347.31705	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10705	0.7
55.05512	4.6
67.05144	1.1
67.05501	15.1
69.03421	1.2
69.07059	5.0
70.75768	2.5
71.05003	1.2
79.05489	9.5
81.03409	2.0
81.07047	7.9
83.04985	1.5
83.08592	3.4
85.06558	1.1
91.05487	8.0
93.07050	9.6
95.04966	3.7
95.08597	7.9
97.06499	1.8
97.10145	4.1
98.98465	100.0
100.98899	0.9
105.07032	5.6
107.08578	7.8
109.10143	8.7
111.08089	1.0
116.99509	4.1
117.07002	1.5
119.08578	5.9
121.10156	4.5
123.08040	1.1
123.11770	0.9
125.09631	2.8
129.06998	0.9
131.08551	2.4
133.10117	3.7
135.08040	1.1
137.09599	3.6
145.10081	1.9
147.11674	1.9
154.12181	1.1
159.11761	1.1
161.13344	1.1
172.13353	1.5
173.11821	4.8
173.13158	1.3
174.99220	7.1
176.98941	3.5
184.82043	0.8
189.11214	2.1
217.25720	0.9
220.82451	0.9
275.19992	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87892	0.5
53.03944	0.6
53.18167	0.6
55.05497	2.1
56.96558	1.0
58.81645	0.5
61.91816	0.6
67.05511	5.8
69.07074	3.6
70.24694	1.1
70.25092	1.2
75.33476	0.5
79.05489	2.4
81.03464	0.5
81.07054	5.5
83.05001	0.7
83.08637	1.2
85.06528	0.6
91.05476	2.3
93.07063	3.2
95.04971	1.0
95.08611	3.1
97.06516	1.0
98.09697	1.5
98.21547	0.6
98.98466	100.0
100.98888	0.8
105.07051	2.0
107.08585	2.5
109.10133	1.3
116.99515	4.4
119.05586	0.5
119.08562	1.6
121.10148	1.0
123.08055	1.1
125.09752	0.6
130.53566	0.5
131.08559	1.0
133.10101	1.1
135.11711	1.3
137.05997	1.8
137.09750	0.5
140.01079	1.2
145.10115	0.9
145.22830	0.5
147.11652	0.7
149.09564	0.7
159.11638	0.7
163.62688	0.5
171.08078	0.7
174.99231	9.4
175.99481	0.7
176.27124	0.6
176.98972	3.0
181.12299	1.4
187.11205	0.6
190.95517	1.0
195.13800	0.7
197.09871	0.6
213.12805	1.6
229.07347	0.8
247.08334	0.6
251.00011	0.9
252.99828	0.8
275.20151	2.1
285.09927	0.7
328.18945	2.0
328.28445	1.0
329.17343	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	329.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90716	0.5
56.96559	0.7
58.16069	0.4
59.29064	0.4
69.03437	0.9
70.06596	4.2
70.66827	0.4
70.74834	1.4
71.04990	0.5
72.08160	1.0
74.06084	1.0
79.05499	0.4
81.07056	0.8
83.05002	0.7
84.04558	0.5
84.08136	0.7
85.02914	1.5
86.09702	2.8
88.61283	0.4
91.05495	1.2
93.07057	0.6
95.04969	0.8
97.02892	0.8
97.06551	0.4
98.98470	100.0
100.07676	0.5
100.98892	1.2
102.05547	0.4
103.05453	0.5
107.04941	0.7
109.02927	0.6
109.06562	0.6
116.07165	0.5
116.98694	0.8
116.99502	4.4
119.01931	1.4
119.04941	1.0
120.06623	0.8
120.08101	5.5
121.06532	0.5
122.09680	0.5
123.91042	0.5
129.10225	0.8
135.04436	3.3
137.06000	1.3
145.05064	0.4
147.04433	3.6
147.09140	1.1
148.11182	0.8
151.03958	0.5
153.05457	0.5
161.02928	0.7
163.03893	1.0
165.10196	0.8
165.13890	2.2
167.06879	1.1
174.53159	0.6
174.99220	8.3
176.98920	3.8
177.00401	0.4
177.05482	0.7
180.27702	0.4
185.04253	0.7
205.03174	0.4
227.07722	0.8
237.02777	0.6
251.00043	0.7
252.99683	1.0
255.18098	0.8
269.08603	0.7
311.09760	0.7
311.10983	0.5
311.14975	7.3
329.12073	69.7
347.12073	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	329.1232
Annotation	Paeonoside
Peak:m/z	Relative Intensity
53.03941	1.3
55.01879	0.6
55.05513	0.4
55.77391	0.4
57.03426	1.3
65.03954	0.5
67.05500	1.7
69.03427	12.6
69.07078	0.5
70.06589	0.7
70.46655	0.8
70.47046	0.9
71.05003	0.6
72.08143	1.1
77.03927	0.5
79.05495	6.2
81.03419	5.1
81.03889	0.6
81.07049	1.4
84.08133	1.4
85.98266	0.4
86.09686	1.4
87.04475	0.5
91.05476	12.6
93.07039	2.4
95.04963	10.6
97.02898	2.2
97.06555	1.3
98.98463	100.0
99.04445	6.3
100.15144	0.4
100.98885	0.7
103.05457	2.3
105.07025	1.2
107.04955	15.1
109.02869	6.5
109.06521	1.6
115.05432	0.5
116.99490	4.4
117.05500	3.1
118.06541	0.4
119.04934	6.7
120.08110	4.5
121.06494	4.4
123.04420	3.8
125.02349	2.2
125.05975	1.8
127.03924	0.6
129.10277	0.8
131.04921	1.2
133.06454	0.6
134.04620	0.7
135.04410	75.6
136.07573	36.9
137.06006	0.9
141.01881	0.5
146.05984	0.9
149.05978	5.1
151.03896	9.0
151.05011	0.8
153.05441	5.2
159.06531	3.3
163.32616	0.3
166.08620	1.3
174.99211	9.2
176.98904	4.2
177.03941	0.5
177.05463	9.0
180.63304	0.4
184.04543	1.6
195.06502	6.9
210.02426	1.9
213.07613	0.4
234.84384	0.5
239.09050	0.5
241.07063	1.2
250.99841	0.5
252.99666	1.6
267.08694	0.7
293.10242	1.1
311.11249	4.5
329.12103	0.6
329.15536	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	329.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90912	0.5
55.01875	0.6
55.05498	2.3
57.03421	0.7
57.98788	0.8
58.99588	24.1
59.04992	1.5
59.08409	0.5
65.03947	0.8
67.05499	1.8
69.03431	51.4
69.07058	1.1
70.11359	1.5
71.04984	1.0
73.01134	2.5
75.02698	1.1
79.05486	1.6
81.03419	0.7
81.07059	2.2
83.04981	1.0
85.01125	1.1
85.02923	0.6
86.99059	35.7
87.04472	11.5
89.04258	1.4
91.05506	1.2
93.07050	1.8
95.04974	1.2
95.08612	2.0
97.06537	5.0
98.98469	100.0
99.02683	5.4
100.98875	1.2
103.02171	1.4
105.00095	59.1
105.07037	1.6
106.00418	0.6
107.08604	1.7
109.10157	1.4
113.00578	0.7
115.05471	0.8
116.99511	4.6
117.03730	11.1
117.07041	0.6
119.01691	0.9
119.08559	1.3
121.10164	2.7
123.01148	1.0
123.04417	0.9
123.08080	1.1
127.11213	0.6
128.06235	0.9
131.08572	1.2
133.06491	0.7
133.10155	0.6
139.11185	29.4
140.01126	0.6
140.11609	0.6
141.06970	0.9
143.08589	1.4
145.03169	7.6
145.06522	0.8
145.10071	1.2
147.11734	0.6
149.02702	6.9
155.08601	0.9
157.06503	0.6
157.10101	1.3
159.08041	1.1
161.05991	0.9
163.04245	26.4
165.09137	1.8
169.10147	0.6
171.08072	3.3
171.11740	0.5
173.06020	1.4
173.09651	2.1
174.99249	8.4
175.07433	0.6
176.98915	3.9
179.08582	0.6
183.04758	1.0
183.10185	1.1
183.11708	0.6
185.09540	0.6
191.03720	8.5
201.09215	0.7
207.13786	3.9
211.11092	0.5
212.08322	0.8
213.12827	0.9
215.06927	0.6
217.05003	2.4
219.10150	0.8
227.10623	0.7
229.12230	0.6
233.08188	0.6
233.11665	0.6
239.10991	1.9
241.12256	1.1
252.99809	1.3
269.08167	0.7
273.07938	0.8
283.13629	1.5
285.11240	1.3
311.12924	1.3
311.16495	1.0
311.19962	1.2
315.08655	1.1
329.13947	4.1
329.17615	0.9
329.21075	4.0
330.10916	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	329.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05513	2.2
56.96567	0.5
57.03447	1.0
57.98800	0.6
58.99588	17.3
59.05003	0.6
62.82634	0.5
65.03926	0.9
67.05500	2.1
69.03433	37.4
69.07070	2.2
69.26043	4.5
71.05013	0.5
73.01135	1.2
75.02695	0.5
79.05495	1.9
81.07051	1.8
83.04979	2.0
83.08640	0.4
85.01125	1.6
86.99057	28.0
87.04473	11.3
89.04263	1.0
91.05492	1.0
93.07047	1.8
95.04955	2.4
95.08608	1.8
97.06540	9.1
97.10169	0.6
98.21487	0.8
98.98471	100.0
99.02676	4.3
100.98878	0.8
103.02179	0.6
105.00097	42.8
105.07026	1.7
106.00445	0.4
107.08590	1.3
109.06525	0.9
109.10158	2.6
111.84896	0.5
115.05462	0.6
116.99494	4.9
117.03725	6.7
119.01663	1.1
119.08599	1.7
121.10149	3.5
123.04433	1.1
123.08089	1.2
128.06201	0.5
129.06978	0.5
131.08626	0.7
133.06535	0.4
133.10092	0.5
137.05998	1.8
137.09619	1.2
139.11182	23.2
140.01111	0.5
141.07016	0.5
143.08572	0.8
145.03180	5.7
145.06564	0.4
145.10132	0.5
147.08081	0.6
147.11665	0.4
149.02690	6.3
151.07549	0.7
153.07011	0.5
155.08653	0.4
157.10178	0.9
159.08047	0.5
161.06111	0.5
161.13263	0.7
163.04242	20.0
165.09171	1.9
167.07016	0.4
169.06581	0.6
174.99234	8.6
175.07513	0.7
176.98904	4.4
177.05542	0.6
183.10156	0.8
184.08884	0.6
185.09625	1.0
187.07651	0.8
189.09164	0.6
189.12825	1.2
191.02136	0.8
191.03717	5.5
197.06024	1.6
197.09598	0.5
201.08920	0.4
207.13814	4.0
212.08311	1.8
213.09149	1.1
213.12949	0.6
215.07051	0.6
215.10689	0.6
217.04944	0.5
219.10229	0.8
223.11031	0.6
225.09106	0.8
227.07314	0.9
227.10718	0.7
228.07845	0.5
233.08160	1.5
239.10968	1.2
241.08565	0.9
241.12215	2.6
243.06541	0.9
250.99870	0.4
252.99831	1.3
267.13837	0.7
268.07242	0.9
269.08160	0.7
269.11069	0.5
270.08823	0.7
283.09799	0.7
283.13538	1.3
285.11230	3.3
311.12857	3.0
311.16495	1.4
315.08719	0.9
326.27277	0.5
329.10391	1.1
329.13940	5.5
329.17584	2.0
329.20981	0.5
329.24808	0.6
330.10773	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	329.232
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.05505	6.4
55.37802	1.3
57.03434	1.9
58.26889	1.3
67.05504	31.7
69.07066	5.7
69.55143	8.8
70.62936	1.2
71.04993	4.9
71.08632	19.1
72.95654	1.4
79.05485	6.7
81.07059	12.3
83.04980	3.4
83.08622	3.8
83.61385	1.3
85.02874	3.6
85.06555	1.9
91.05484	5.5
93.07044	9.6
95.05008	1.8
95.08601	29.8
97.06532	7.3
98.98463	73.5
99.08089	11.8
105.07005	3.8
107.08620	7.1
109.06618	1.6
109.10159	19.2
111.08094	2.5
116.99527	1.7
119.08581	4.2
121.10110	3.2
123.11681	2.7
124.09847	1.3
127.11201	1.9
131.08647	1.3
133.10104	7.1
134.73755	1.4
135.11674	2.2
137.09613	2.1
141.95195	1.4
151.11176	4.9
155.10637	8.2
173.11859	2.0
174.99217	5.4
176.98872	1.9
195.11713	1.4
229.19443	1.6
247.20499	2.6
265.21622	100.0
266.22015	2.4
283.22665	55.7
311.21960	7.7
329.17358	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	329.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03816	0.2
51.46204	0.3
51.86076	0.3
55.05512	1.4
57.03429	0.5
62.22791	0.3
67.05512	2.4
69.07056	0.8
69.56693	2.1
79.01296	0.3
79.05492	1.0
81.03419	0.3
81.07052	1.3
83.08618	0.6
91.05460	0.8
91.81506	0.3
93.07056	1.3
94.22296	0.3
95.04950	0.6
95.08609	3.6
97.06525	0.9
97.10173	0.7
98.10483	0.3
98.21513	0.5
98.98466	100.0
100.98874	1.0
102.26900	0.3
105.07033	0.7
107.08603	1.0
109.10166	1.0
113.09651	0.8
116.99508	3.6
119.08594	0.5
121.10142	0.7
125.09643	0.8
131.08611	0.3
133.10147	0.5
139.11150	0.4
140.01068	0.7
141.12613	0.3
143.77892	0.3
145.10179	0.6
149.09637	0.5
151.10930	0.3
163.11224	0.3
173.11745	0.6
174.99217	8.4
176.98907	4.5
178.05692	0.3
187.11267	0.3
189.11226	0.4
209.11841	0.7
248.45026	0.3
251.00047	0.6
252.99760	1.2
275.19986	0.5
276.20532	0.5
293.21329	0.4
311.16202	0.4
311.22351	0.4
329.17487	1.7
329.23260	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	329.2321
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01866	0.8
55.05516	3.2
57.03437	0.8
57.07071	0.9
67.05500	5.4
69.03415	0.7
69.07057	2.8
69.86769	2.1
71.04986	0.5
71.08617	0.6
72.54457	0.4
73.02921	0.4
79.05502	2.4
81.03421	0.7
81.07047	3.8
83.04976	0.6
83.08632	1.3
84.60056	0.4
85.06522	0.5
85.10170	0.6
91.05476	2.3
93.07047	3.3
95.04959	1.4
95.08617	5.5
97.06545	2.4
97.10146	1.7
98.20896	0.6
98.98467	100.0
99.08109	1.0
100.98885	1.1
105.07008	1.9
107.08586	2.5
109.06577	0.4
109.10166	3.4
111.08068	0.6
113.09603	2.2
116.99509	4.6
117.07051	0.5
119.08595	1.7
121.10155	3.2
123.08053	0.7
125.09626	1.8
127.11177	0.5
131.08540	0.8
133.10136	1.5
135.11703	0.9
137.09576	1.0
139.11205	1.5
140.01056	0.7
143.10626	0.5
145.10217	0.6
147.11691	0.4
149.09604	1.2
151.11191	0.7
155.10510	0.5
161.09639	0.6
163.11177	0.7
167.10709	1.7
169.12285	0.6
173.11742	1.0
173.13136	0.5
174.99226	7.8
176.98950	3.6
181.12263	0.5
185.11778	0.5
187.13249	0.5
190.61429	0.4
244.27388	0.4
247.20570	0.7
251.00105	0.7
252.99741	1.2
257.18930	0.5
265.21585	2.0
275.20090	1.5
293.21072	3.3
299.09354	0.5
329.13635	0.6
329.17331	8.3
329.20993	0.8
330.17245	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
53.38681	1.5
55.01855	3.2
55.05513	10.0
55.15393	1.3
55.83443	1.4
56.96562	2.5
57.07056	2.8
60.11117	1.3
61.25180	1.2
61.70673	1.2
67.05502	19.7
68.05810	2.7
68.55160	1.4
69.03403	1.6
69.07061	11.8
71.04967	2.4
71.08609	3.9
79.05490	10.0
81.03408	4.8
81.07050	16.2
82.07382	2.2
83.04974	3.5
83.08616	3.6
84.08962	1.8
88.07637	2.1
88.82649	1.6
91.05479	16.3
93.07038	15.7
94.07360	2.5
95.04971	7.4
95.08595	25.2
96.08930	2.0
97.06504	3.5
97.10140	3.9
97.33537	1.6
98.98463	100.0
99.08067	3.6
105.07018	6.7
107.08571	8.3
109.06459	2.4
109.10177	10.2
113.09568	1.8
116.99487	5.5
119.08546	6.6
121.06528	2.0
121.10143	10.3
123.11696	1.6
125.09629	3.8
133.10100	3.5
135.08037	1.4
135.11642	4.0
137.09607	4.7
139.11171	2.3
140.01024	2.2
140.67770	1.3
145.10081	2.4
147.11636	3.7
149.09517	2.0
149.13307	2.7
151.11150	3.2
157.12210	2.3
159.11768	2.7
167.10602	1.5
171.11562	1.6
174.99185	6.5
176.98898	6.4
187.14783	1.8
201.79645	1.4
203.12697	1.7
220.21214	2.1
259.20786	1.7
277.21619	26.8
278.21899	1.9
295.22617	16.8
298.91483	1.4
312.17667	1.7
330.23038	6.6
330.29807	3.8
330.33517	3.0
331.18686	6.9
351.18643	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
55.05508	6.6
56.96561	4.3
57.07076	2.2
67.05492	11.6
69.03404	1.1
69.07066	5.2
69.76550	2.6
69.76951	4.5
70.06586	1.3
71.08620	3.0
72.08137	1.9
79.05480	5.4
81.07050	7.1
83.04980	1.5
83.08621	1.7
87.04460	4.0
88.07633	2.0
91.05492	4.2
93.07033	4.4
95.04948	1.9
95.08617	3.9
97.10158	2.4
98.21555	2.1
98.98464	100.0
99.08093	1.5
100.11237	1.4
100.98863	2.4
101.06023	4.4
101.76945	1.1
105.07023	3.0
107.08620	4.3
109.10161	4.8
116.99522	4.6
119.08585	2.0
121.10146	1.8
123.11700	1.2
125.09628	3.5
131.08473	1.6
131.96156	1.0
133.10139	1.8
135.08002	1.5
137.09596	1.7
138.73947	1.0
139.11209	1.7
141.92848	1.0
145.10138	1.6
147.11694	1.3
149.13249	1.8
151.11172	1.1
156.17473	1.9
156.53888	1.2
174.99211	5.3
176.98918	6.0
177.99432	1.1
186.33284	1.1
189.11232	2.5
195.13757	1.5
247.08423	1.9
268.29947	3.1
270.27930	1.2
277.21680	3.7
285.10220	2.1
288.24747	1.1
330.30008	7.6
330.33685	11.8
331.18805	3.2
349.16800	4.2
351.18515	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68254	1.0
53.03944	1.7
55.01874	2.9
55.05240	2.4
55.05511	45.3
56.05819	1.3
56.96568	4.9
59.05001	1.6
67.05504	19.7
69.03431	5.5
69.07069	15.1
70.23741	4.3
71.08627	2.8
79.05498	14.8
81.03421	2.0
81.07062	15.1
83.04985	3.6
83.08621	32.1
85.06544	2.6
91.05495	4.3
93.07037	9.6
95.04955	2.6
95.08610	4.5
97.10169	64.0
98.10519	1.3
98.98466	50.8
99.08108	3.1
100.98869	1.7
101.09644	1.5
103.24294	1.1
105.07028	4.9
107.08594	17.9
109.10155	4.4
111.08089	1.8
116.99518	1.5
119.08568	2.5
121.10151	2.9
125.09630	54.8
126.09946	1.2
126.12808	2.6
129.07028	2.3
131.08568	1.5
133.10106	3.5
135.08067	3.9
135.11676	2.0
143.10681	3.5
143.72310	1.2
146.99713	1.6
147.11646	2.0
149.13277	1.7
151.11227	4.5
153.09151	4.3
161.13266	2.9
171.10191	4.6
174.99290	1.5
179.14407	1.6
189.11214	100.0
198.82632	1.1
211.16902	1.6
217.07399	1.9
251.02509	1.2
255.09023	1.4
259.20755	2.9
277.21622	45.1
278.22064	1.4
295.22638	5.3
307.12192	1.4
331.15649	4.5
349.16861	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99832	0.4
55.01868	0.9
55.05511	6.5
56.57970	0.4
56.63226	0.4
56.96561	2.3
57.03413	0.6
57.07087	0.9
59.44444	0.4
67.05505	5.3
69.03423	0.7
69.07056	2.1
69.49731	3.8
70.06585	0.7
71.08633	4.0
79.05492	3.3
81.07054	6.5
83.04959	1.1
83.08623	3.6
85.06548	0.5
86.09715	0.6
87.04449	0.5
88.07615	0.9
91.05489	2.4
93.07045	3.1
95.04938	1.1
95.08594	3.4
97.06527	1.3
97.10174	7.1
98.20866	1.0
98.98463	100.0
99.08107	4.3
100.98890	2.1
105.07031	1.9
107.08595	2.4
109.06540	1.4
109.10147	1.8
111.08135	0.5
116.99498	4.4
117.07012	0.7
119.08600	1.3
121.10143	1.3
123.08123	0.9
123.11675	0.7
125.09624	6.8
133.10103	1.3
135.08058	1.1
135.11732	1.0
140.01093	1.5
143.08533	1.0
143.10707	0.6
145.10121	0.6
149.13222	0.5
151.07535	0.5
151.11166	2.4
153.19501	0.5
154.21725	0.5
159.11722	0.6
161.13297	1.6
163.11230	0.9
165.90750	0.5
171.10184	0.7
173.11760	0.9
174.99217	5.1
175.99557	1.0
176.98940	6.7
177.99191	0.6
179.14299	1.2
189.11211	10.0
203.06061	0.5
212.16603	0.6
217.07433	0.6
218.21083	0.7
235.88817	0.5
252.99728	0.6
259.20572	0.5
265.05035	0.5
271.12427	0.6
277.21628	6.3
285.10211	0.7
295.22693	1.5
330.13977	0.6
330.30194	1.0
330.33728	3.4
331.18790	43.2
349.16827	0.5
351.18509	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
55.21466	0.5
56.05838	0.5
56.96555	1.3
57.03412	0.5
57.07048	0.8
67.05502	3.7
68.05846	0.5
69.07045	1.4
69.39944	3.8
79.05498	1.2
81.07076	2.8
83.04993	0.6
83.08603	0.6
85.02911	0.5
87.04472	2.2
88.07649	0.5
91.05489	1.7
91.10001	0.5
93.07050	1.7
95.08599	1.7
97.06502	0.8
98.98467	100.0
100.98875	2.0
101.05999	0.7
105.07030	1.1
107.08595	1.2
108.08998	0.6
109.10171	3.1
116.99477	4.6
119.08561	0.9
120.52882	0.6
126.00927	0.5
140.01080	2.3
157.66579	0.6
173.11742	3.6
174.99249	4.4
175.99509	0.5
176.98930	6.4
188.92123	0.5
268.29962	0.7
270.28046	0.7
277.21368	0.5
285.09991	0.6
286.10263	1.0
330.29907	2.1
330.33759	3.5
331.18961	2.1
331.26309	0.7
353.09076	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	331.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	6.8
57.03431	6.3
60.98812	3.0
61.02923	4.3
68.72471	3.3
69.03428	18.3
70.06597	3.4
73.02906	7.4
81.03419	3.9
84.08142	4.3
85.02905	43.4
97.02878	19.6
98.97541	6.8
98.98466	57.4
99.04460	3.9
108.08111	8.3
109.02854	5.6
111.84030	3.1
116.98615	7.2
119.01922	9.2
127.03916	13.9
129.10251	4.5
131.01912	5.3
133.03459	4.0
143.01904	4.6
145.03564	3.5
145.04935	7.5
152.07072	12.5
157.03455	8.8
160.04762	8.4
161.00993	4.0
161.05437	4.1
162.01003	3.1
169.03703	100.0
169.04924	6.6
170.08189	3.9
171.04976	3.0
173.02992	6.8
174.99149	4.2
175.04495	4.1
185.02843	5.7
187.04443	4.2
189.00742	4.1
203.03984	6.0
219.01913	3.4
221.05104	9.3
237.02913	4.3
245.05095	6.4
259.06635	9.6
263.06174	6.7
273.09396	8.4
279.03931	3.2
314.12338	6.6
319.08832	5.4
331.08960	58.2
331.13663	37.8
332.13589	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13138	1.4
65.03918	1.8
69.03452	1.6
69.07060	1.4
71.49002	2.0
79.05476	4.0
81.07057	4.2
84.08152	11.5
85.02900	1.9
86.09695	2.1
91.05488	32.6
94.04144	3.6
95.04970	6.1
98.98472	100.0
100.98895	3.9
103.05470	7.8
105.07006	5.3
107.04981	9.9
109.06529	4.2
113.72686	1.4
113.94562	1.4
115.05418	2.7
116.99536	3.3
119.04950	18.1
121.06526	10.0
122.03642	7.2
123.08084	1.7
128.06186	5.2
129.07008	15.7
131.04919	8.2
131.08533	2.1
133.06519	2.8
135.04430	2.2
135.08047	5.9
136.05202	3.8
137.05986	81.7
138.06279	1.5
143.88046	1.7
145.06465	5.5
146.03618	1.7
147.04440	2.0
149.05986	18.8
151.03963	2.7
151.07553	99.4
152.06223	3.7
153.06964	2.7
155.11986	1.5
157.06485	15.2
158.07236	2.5
161.05974	23.2
161.09631	6.4
163.03909	4.4
163.07550	26.3
165.06976	14.3
165.09125	5.7
165.10371	1.6
166.07817	3.8
167.08530	17.6
169.06459	2.7
169.08368	6.0
174.06769	6.9
174.99159	3.6
175.07545	6.7
176.98947	7.8
177.05457	2.2
178.07773	5.5
179.08504	2.6
181.06471	4.7
182.07254	5.1
185.04219	6.4
189.09117	41.6
191.08478	1.7
193.06522	9.2
193.10101	8.2
194.07286	5.0
195.08064	25.7
196.08722	1.8
197.06006	3.1
197.09599	2.4
203.05241	3.1
203.08534	4.0
205.06439	1.9
206.07225	1.8
207.08429	1.6
207.10185	8.2
209.05936	4.4
209.09625	4.3
210.06755	7.8
211.07602	4.9
212.08408	5.2
220.08795	2.2
221.06073	10.8
221.09569	13.4
223.07603	14.3
224.08340	3.9
225.05559	3.1
225.08983	9.1
227.07147	2.6
227.10672	26.4
234.06645	2.1
235.07591	3.1
237.05415	2.4
237.09032	2.9
238.06285	5.4
238.09911	2.0
240.07782	3.6
241.41409	1.6
243.11322	5.6
249.09132	6.7
252.07777	2.2
253.08656	14.0
253.12268	15.1
255.06462	2.1
255.07408	2.7
255.10196	36.0
263.10687	1.6
266.09506	2.2
267.10205	6.3
269.08163	5.2
269.11887	2.9
270.08850	1.8
272.10242	2.9
281.11676	7.0
285.11221	26.3
287.12775	44.2
301.14301	1.5
303.13681	2.2
313.12210	1.9
313.14532	14.2
331.13495	44.3
331.16901	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	331.1541
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03954	1.2
55.01862	1.5
60.99175	0.7
65.03941	2.3
67.05479	1.2
69.03417	3.4
71.07218	2.0
74.90125	0.9
79.05487	4.9
81.07046	2.8
83.04962	1.3
85.02915	1.3
87.04479	1.0
91.04914	1.9
91.05480	31.0
93.07020	1.5
94.04179	4.0
95.04977	6.9
95.08607	1.1
97.06536	1.5
98.98468	22.5
103.05466	6.5
105.07030	5.3
106.99673	2.5
107.04957	8.9
107.08589	1.0
109.06527	6.1
111.04413	1.2
115.05446	2.8
117.03347	1.1
117.06998	1.8
119.04942	20.9
119.08574	1.2
121.06496	8.8
122.03632	10.9
123.04398	2.1
123.08042	1.7
125.05945	0.9
128.06209	5.7
129.07005	19.4
131.04929	8.7
131.08572	1.7
133.06488	2.9
133.10165	0.9
134.03653	0.9
135.04437	1.2
135.08072	7.8
136.05170	3.7
137.05975	95.4
138.06294	1.5
139.11150	1.9
141.06975	1.1
143.04984	1.4
145.06471	4.6
146.03615	1.3
146.07266	1.7
147.04350	1.4
147.08025	2.1
148.05257	1.6
149.05972	18.1
151.03889	3.3
151.07544	100.0
152.06213	5.2
153.06989	2.6
154.07750	2.1
157.06491	15.3
158.07262	0.8
159.07986	1.7
161.05969	20.4
161.09616	4.3
162.06697	1.1
163.03928	1.5
163.07538	22.8
165.07007	16.8
165.09067	4.6
166.07742	3.3
167.07109	2.3
167.08549	20.0
169.06474	2.9
174.06754	6.8
175.07570	5.2
176.08334	1.4
176.98880	1.3
177.06976	2.3
177.09142	4.7
178.07770	7.0
179.08501	2.6
181.06514	5.3
181.10048	1.3
182.07243	5.0
183.08008	1.4
184.08836	1.7
187.07529	1.1
189.09103	41.9
191.08551	1.3
192.09312	2.5
193.06477	8.8
193.08525	1.3
193.10100	9.4
194.07259	3.5
195.08043	26.7
196.08727	2.1
197.05931	7.3
197.09599	1.4
198.06531	0.9
199.07576	1.8
202.07790	2.2
203.08540	3.6
205.06429	1.6
206.07265	3.6
207.08199	1.6
207.10149	7.0
209.05902	4.8
209.09576	3.4
210.06755	11.9
210.10315	1.2
211.07547	3.5
212.08394	5.4
213.09065	1.5
214.06250	0.9
219.08121	1.2
220.08868	1.7
221.06041	10.6
221.09554	13.4
222.06779	1.0
222.10345	1.3
223.07544	14.0
224.08275	5.0
225.05473	2.8
225.09050	10.7
226.09796	1.0
227.06999	3.8
227.10663	31.7
231.08112	1.7
232.08829	1.0
234.06792	1.4
235.07484	1.4
237.05421	1.6
237.09152	3.9
238.06245	7.5
238.09853	1.8
239.06990	3.2
239.10640	2.5
240.07736	3.9
241.08618	2.2
241.12172	3.5
242.09250	1.0
249.09030	6.5
251.06944	1.3
252.07779	3.1
253.08592	18.8
253.12250	18.1
254.09291	2.0
255.06354	2.0
255.10158	35.4
256.10733	1.0
257.11951	0.9
266.09369	2.5
267.10187	5.7
269.08069	5.7
269.11700	2.8
270.08734	3.6
272.10281	4.1
281.11639	7.6
284.10416	1.8
285.11221	23.8
285.14365	1.4
287.12762	45.5
288.13104	1.2
298.11984	1.8
299.12726	2.0
301.14160	1.7
313.08328	1.0
313.11096	1.3
313.14374	15.0
316.08923	2.6
328.16931	0.9
331.11542	6.4
331.15417	7.9
350.74890	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	331.1539
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.44184	0.9
55.01867	1.7
63.34648	0.8
65.03922	1.0
67.05518	1.3
71.49422	1.7
79.05479	4.7
81.07064	2.7
83.04987	1.0
91.04914	1.7
91.05481	32.0
93.07033	1.4
94.02731	0.8
94.04180	3.6
95.04971	6.9
98.98465	45.7
100.98901	1.2
103.05456	4.2
105.07024	4.7
107.04935	8.2
109.06512	6.2
111.04428	1.4
115.05426	2.7
116.99414	1.5
117.07021	2.6
119.04932	20.9
119.77979	1.0
121.06498	7.0
122.03645	7.8
123.08084	1.6
128.06235	4.7
129.06993	16.9
129.07932	1.5
131.04945	5.8
131.08563	2.6
133.06490	2.8
135.04399	1.3
135.08049	6.3
136.05217	3.8
137.05974	90.5
139.85060	1.0
141.06927	1.0
142.70868	0.9
143.04951	1.4
144.05756	1.0
145.06482	4.1
145.07532	1.0
146.03648	1.5
147.04372	2.0
147.08076	1.8
148.05177	1.9
149.05991	12.7
151.03922	3.9
151.07541	100.0
152.06183	3.7
153.06982	1.9
156.21344	1.1
157.06493	13.4
158.07277	1.2
159.04404	1.0
161.05983	15.3
161.09610	3.7
163.03857	2.1
163.07535	22.7
165.07007	13.6
165.09058	6.4
166.07771	4.1
167.07146	1.4
167.08559	17.5
169.06477	2.9
174.06744	8.4
174.99088	1.5
175.07469	5.1
176.08366	1.0
176.98959	4.0
177.07033	2.3
177.09119	4.9
178.07761	6.5
179.08572	2.4
181.06506	5.5
181.10127	1.3
182.07272	3.9
183.08090	2.0
184.08936	2.1
187.07495	1.7
188.08459	1.3
189.09106	35.8
191.08556	2.3
192.09320	3.4
193.06508	8.2
193.10144	8.8
194.07285	3.7
195.08038	29.0
196.08812	3.1
197.05972	7.5
197.09534	1.1
203.08624	3.0
205.06551	1.8
206.07312	3.3
207.08147	1.8
207.10161	6.6
209.06000	3.3
209.09605	4.3
210.06767	9.3
210.10370	1.5
211.07462	4.9
212.08351	6.6
213.08754	0.9
216.85304	1.0
219.07988	1.5
220.08833	1.6
221.06047	11.3
221.09555	13.8
222.06700	1.8
223.07536	13.3
224.08321	4.3
225.05443	1.6
225.09062	14.2
227.06998	3.6
227.10646	36.3
231.08131	1.2
235.07484	1.5
237.05600	1.7
237.09120	2.9
238.06250	5.8
238.09924	3.4
239.07007	3.5
239.10727	1.6
240.07771	5.0
241.08667	2.0
241.12383	2.0
243.11333	2.5
249.09073	6.1
252.07738	2.0
253.08595	17.3
253.12262	17.0
254.09322	1.3
254.12691	1.2
255.07094	1.6
255.10133	32.7
256.10822	1.5
263.10773	1.3
266.09274	1.3
267.10162	6.2
269.08051	5.1
269.11319	1.7
270.08798	2.3
271.10434	1.3
271.50592	1.0
272.10486	5.5
281.11679	7.3
284.10422	2.0
285.11169	20.6
287.12744	50.3
288.13263	1.5
298.11920	1.0
301.14200	1.2
303.13162	1.9
313.11533	1.1
313.14420	14.1
313.17780	1.9
331.11646	2.7
331.15540	7.2
332.11020	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21993	0.5
55.01852	0.8
55.05511	1.0
65.03934	1.4
67.05512	0.8
69.03447	0.9
69.07049	0.6
70.06600	1.1
70.65695	1.8
72.08170	1.0
79.05481	2.3
81.07043	1.8
81.54829	0.6
84.08137	2.5
86.06074	2.0
86.09701	2.3
91.05481	16.9
93.07053	0.9
94.04180	1.1
95.04969	3.5
98.06052	1.2
98.98467	100.0
100.98909	2.9
103.05457	2.9
105.07042	2.2
107.04948	5.2
109.06527	2.3
111.04400	0.8
115.05486	1.3
116.99482	4.0
119.04943	8.7
119.08599	1.1
120.08145	1.2
121.06490	3.5
121.10125	0.6
122.03648	3.8
122.06018	0.6
123.04435	1.0
128.06238	1.8
128.07071	0.9
129.06979	7.3
131.04936	2.8
133.06473	1.5
135.04410	2.2
135.08102	2.8
136.05191	1.8
137.05983	36.5
145.06538	1.4
146.03624	0.6
147.04431	1.4
147.05531	0.8
149.05992	6.0
150.06801	0.9
151.03885	1.7
151.07547	46.5
152.06190	1.7
153.05608	0.6
153.06898	0.9
154.08694	0.8
157.06490	4.9
159.08151	0.7
161.06006	6.6
161.09615	1.9
162.05542	2.0
163.03909	2.2
163.07545	11.0
165.05687	1.1
165.06967	5.4
165.09140	2.2
166.07700	1.2
167.08554	7.6
169.06477	1.3
174.06773	2.6
174.99190	3.8
175.07565	2.4
176.98924	7.2
177.05521	1.0
177.06911	1.1
177.09142	0.8
178.07782	3.5
179.08528	1.8
181.06554	2.2
181.08525	0.6
181.10187	0.8
182.07303	2.7
183.07948	0.7
189.09111	16.2
189.10794	1.1
192.09363	1.0
193.06526	2.8
193.10129	3.9
194.07204	1.4
195.08034	12.9
196.08798	1.1
197.06027	2.5
203.08459	1.2
205.06482	0.8
206.07195	0.7
207.08347	0.9
207.10168	2.8
209.05963	1.3
209.09660	2.4
210.06728	4.0
210.10214	0.6
211.07535	1.9
212.08391	1.7
214.79701	0.6
221.06013	4.4
221.09526	4.4
223.07523	5.9
224.08365	2.2
225.05577	0.8
225.09113	5.8
227.07167	1.3
227.10672	14.0
235.07521	0.6
237.09099	2.0
238.06276	2.4
238.09943	0.8
239.07025	1.5
240.07843	2.0
241.08635	0.9
241.12221	0.7
243.11293	2.0
249.09134	2.7
252.07837	1.2
252.99771	1.1
253.08607	7.1
253.12260	7.4
255.10149	15.8
267.10178	4.0
269.08142	2.0
269.11743	1.2
271.10666	0.6
272.10413	1.6
281.11716	2.4
285.11237	9.5
287.12787	21.4
298.12183	1.1
299.12845	0.8
303.13306	1.3
313.14551	5.3
331.11877	1.1
331.17609	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21993	0.5
55.01852	0.8
55.05511	1.0
65.03934	1.4
67.05512	0.8
69.03447	0.9
69.07049	0.6
70.06600	1.1
70.65695	1.8
72.08170	1.0
79.05481	2.3
81.07043	1.8
81.54829	0.6
84.08137	2.5
86.06074	2.0
86.09701	2.3
91.05481	16.9
93.07053	0.9
94.04180	1.1
95.04969	3.5
98.06052	1.2
98.98467	100.0
100.98909	2.9
103.05457	2.9
105.07042	2.2
107.04948	5.2
109.06527	2.3
111.04400	0.8
115.05486	1.3
116.99482	4.0
119.04943	8.7
119.08599	1.1
120.08145	1.2
121.06490	3.5
121.10125	0.6
122.03648	3.8
122.06018	0.6
123.04435	1.0
128.06238	1.8
128.07071	0.9
129.06979	7.3
131.04936	2.8
133.06473	1.5
135.04410	2.2
135.08102	2.8
136.05191	1.8
137.05983	36.5
145.06538	1.4
146.03624	0.6
147.04431	1.4
147.05531	0.8
149.05992	6.0
150.06801	0.9
151.03885	1.7
151.07547	46.5
152.06190	1.7
153.05608	0.6
153.06898	0.9
154.08694	0.8
157.06490	4.9
159.08151	0.7
161.06006	6.6
161.09615	1.9
162.05542	2.0
163.03909	2.2
163.07545	11.0
165.05687	1.1
165.06967	5.4
165.09140	2.2
166.07700	1.2
167.08554	7.6
169.06477	1.3
174.06773	2.6
174.99190	3.8
175.07565	2.4
176.98924	7.2
177.05521	1.0
177.06911	1.1
177.09142	0.8
178.07782	3.5
179.08528	1.8
181.06554	2.2
181.08525	0.6
181.10187	0.8
182.07303	2.7
183.07948	0.7
189.09111	16.2
189.10794	1.1
192.09363	1.0
193.06526	2.8
193.10129	3.9
194.07204	1.4
195.08034	12.9
196.08798	1.1
197.06027	2.5
203.08459	1.2
205.06482	0.8
206.07195	0.7
207.08347	0.9
207.10168	2.8
209.05963	1.3
209.09660	2.4
210.06728	4.0
210.10214	0.6
211.07535	1.9
212.08391	1.7
214.79701	0.6
221.06013	4.4
221.09526	4.4
223.07523	5.9
224.08365	2.2
225.05577	0.8
225.09113	5.8
227.07167	1.3
227.10672	14.0
235.07521	0.6
237.09099	2.0
238.06276	2.4
238.09943	0.8
239.07025	1.5
240.07843	2.0
241.08635	0.9
241.12221	0.7
243.11293	2.0
249.09134	2.7
252.07837	1.2
252.99771	1.1
253.08607	7.1
253.12260	7.4
255.10149	15.8
267.10178	4.0
269.08142	2.0
269.11743	1.2
271.10666	0.6
272.10413	1.6
281.11716	2.4
285.11237	9.5
287.12787	21.4
298.12183	1.1
299.12845	0.8
303.13306	1.3
313.14551	5.3
331.11877	1.1
331.17609	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01880	2.3
55.05513	4.5
56.96562	3.5
57.03440	2.6
61.30114	1.3
66.05281	1.4
67.05506	4.8
69.03431	5.1
69.07065	4.7
70.27293	4.8
79.05505	8.5
81.07066	4.1
83.05000	2.9
85.02899	1.2
87.04489	1.2
88.98623	1.1
91.05489	30.1
93.07057	3.3
94.04164	1.5
95.04996	7.7
95.08610	4.4
97.06531	22.1
98.98476	100.0
100.98944	2.2
103.05489	4.5
105.07021	8.2
106.99680	2.1
107.04963	6.5
107.08595	3.0
109.06526	4.7
109.10144	2.1
111.04414	1.4
115.05484	3.9
116.98682	2.0
116.99521	4.1
117.07032	3.4
119.04965	13.9
119.08566	2.9
121.06507	6.6
121.10138	1.7
122.03671	5.3
123.08105	1.7
124.07619	4.0
128.06235	6.4
129.07014	13.3
131.04945	5.1
131.08612	3.4
133.06519	3.1
133.10153	1.8
135.04469	1.2
135.08095	3.8
136.05226	3.5
137.05989	63.6
139.11237	2.6
139.90257	1.1
139.97963	1.3
141.06970	1.5
143.04979	2.2
143.08667	1.4
145.06520	3.9
146.03635	2.1
147.04451	2.2
148.05164	1.9
149.06006	10.9
151.03922	1.5
151.07555	70.1
152.06248	4.5
152.54231	1.4
153.06990	1.9
154.07780	1.9
155.08661	1.5
157.06497	11.2
159.08089	2.8
159.11726	1.8
161.05998	14.9
161.09657	3.1
162.06804	1.3
163.03938	2.0
163.07578	17.4
165.06996	11.3
165.09151	4.7
166.07750	2.5
167.07195	2.2
167.08592	11.6
169.06546	4.2
169.10101	1.6
171.08083	4.0
171.11752	1.4
174.06789	6.7
174.99249	4.2
175.07578	4.9
176.59879	1.3
176.98932	6.9
177.06952	2.5
177.09111	2.6
178.07799	4.4
179.08612	2.1
181.06520	5.8
181.10110	1.6
182.07318	3.2
183.08047	2.5
184.08826	2.1
185.05971	1.7
187.07675	2.3
189.00697	1.8
189.09135	30.2
193.06528	5.5
193.08376	1.6
193.10066	6.8
194.07248	2.9
195.08073	21.7
196.05183	1.6
196.08727	1.9
197.05991	6.5
197.09665	2.6
199.07579	4.3
202.07919	1.3
203.08731	1.9
207.08241	1.5
207.10220	4.1
209.05943	2.9
209.09668	4.3
210.06793	9.1
211.07584	4.7
212.08354	4.9
213.09209	2.4
213.12752	1.5
215.06882	1.7
215.10768	1.8
217.26512	1.3
219.08170	1.5
221.06004	6.7
221.09586	8.4
223.07520	10.3
224.08423	2.7
225.05542	2.5
225.09047	8.1
227.07031	4.9
227.10678	24.0
237.05272	1.9
237.09137	2.1
238.06316	4.8
239.06992	2.2
240.07808	3.7
241.08696	3.0
241.12202	3.6
249.09195	4.3
253.08650	11.4
253.12308	15.0
255.06509	1.8
255.07376	2.1
255.10153	21.8
257.11761	2.2
263.10623	1.4
267.10254	4.0
269.08075	4.2
269.11719	4.4
270.08728	2.4
271.09695	2.5
271.13300	2.8
272.10489	3.1
281.11755	4.6
284.10623	1.4
285.11246	19.8
285.14554	2.3
287.12808	38.2
295.13089	1.7
313.14377	11.9
313.17770	2.0
330.66870	3.1
331.11810	16.5
331.15549	10.5
331.18924	2.2
331.22607	2.1
331.67361	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	331.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25479	0.4
56.96569	16.2
69.07044	0.7
69.81860	1.1
69.82249	0.9
71.84832	0.4
71.95260	2.2
74.97610	0.9
79.05489	0.5
81.07061	1.0
83.08640	0.5
84.96042	0.8
91.05466	0.4
93.07038	0.5
95.08629	0.6
97.06571	0.6
97.96806	0.5
98.97585	1.2
98.98468	24.0
100.98894	0.8
107.08635	0.8
110.54689	0.4
110.97555	1.8
116.98629	1.0
116.99487	0.8
119.08584	0.4
128.98605	5.4
134.99626	0.8
135.08028	0.4
137.02768	0.4
143.00182	0.6
145.01759	0.5
146.99657	5.6
149.01199	1.3
151.00610	0.4
153.02211	0.6
155.03734	1.0
157.01729	1.1
161.01213	1.6
165.00737	1.1
167.03842	0.9
169.01746	0.7
169.05363	0.5
170.01344	0.5
171.03261	2.7
171.04488	0.4
174.99257	1.3
175.02759	0.8
176.98965	1.9
179.02254	0.5
181.05368	0.7
183.03268	0.8
185.04854	3.5
187.02846	1.0
189.04399	2.4
193.03885	0.6
197.04807	0.5
197.08348	0.5
199.06436	4.8
201.04288	0.5
203.05927	7.4
205.07448	1.1
208.06416	0.5
209.05020	0.4
211.06392	1.0
212.03427	0.6
213.07903	0.5
216.38797	0.4
217.07460	9.7
219.03357	0.9
221.07001	1.4
222.08055	0.5
223.02852	2.0
223.06483	0.9
223.08492	1.0
224.03583	0.6
225.04323	0.9
225.07951	0.8
226.05193	1.1
226.07353	0.9
229.07581	0.7
231.06921	0.9
231.09058	0.7
237.04372	4.4
237.07994	0.8
237.27089	0.4
239.09557	0.5
240.09041	0.6
241.03854	1.2
241.07509	0.6
245.10716	0.6
249.08017	1.3
251.05928	0.7
253.11172	1.2
255.05518	1.4
255.09013	0.7
262.08807	1.2
265.07199	0.4
265.11371	0.4
267.09030	2.4
271.12268	0.9
279.09152	0.8
279.12775	0.4
280.09811	3.7
281.10544	1.1
285.10086	1.5
289.14722	0.7
295.12497	0.4
297.10138	0.7
298.10846	2.2
303.11505	0.8
304.59567	0.4
307.15741	2.8
325.16980	0.7
331.15778	15.7
331.18909	9.5
331.25970	0.7
349.16864	100.0
350.17163	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	331.188
Annotation	Carnosol
Peak:m/z	Relative Intensity
55.01836	0.4
55.05495	1.3
56.96552	1.8
57.03445	0.6
57.07089	0.5
65.36015	0.4
66.29713	0.4
67.05499	2.4
69.07059	1.1
69.55027	3.3
70.06578	0.5
75.92214	0.5
79.05479	1.9
81.07057	1.7
87.04462	1.0
91.05470	1.4
93.07050	2.3
95.08604	6.9
96.08994	0.4
97.06524	1.4
97.15810	0.5
98.98466	45.2
99.80015	0.5
100.98878	1.2
101.06037	0.5
102.06369	0.7
105.07036	1.2
105.97283	0.4
107.04992	0.5
107.08584	0.8
109.06481	0.6
109.10159	0.8
116.98797	0.5
116.99480	2.9
119.08571	1.7
121.10129	1.1
123.11758	0.4
125.09542	0.5
131.08556	0.9
133.10132	0.6
135.08028	1.0
143.08511	0.6
145.10083	0.6
151.11195	0.7
159.11665	0.6
165.12862	0.6
171.11652	0.6
174.55209	0.4
174.99202	2.0
176.98909	3.1
224.10246	1.2
233.62914	0.5
239.79948	0.5
252.99756	0.5
313.17310	0.8
331.18793	100.0
332.19095	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	331.1901
Annotation	Sarcostolide E
Peak:m/z	Relative Intensity
55.01859	1.0
55.05524	1.5
56.96558	2.9
57.03438	1.3
59.04996	1.3
67.05499	2.7
69.03419	1.2
69.07078	6.2
69.26538	9.7
70.95989	0.8
77.00887	1.2
79.05491	3.9
81.07055	5.0
83.05000	0.9
83.08591	1.1
91.05470	2.9
93.07051	1.9
95.04966	1.7
95.08602	2.8
97.06524	7.2
98.98469	71.2
100.98875	1.5
105.07040	2.2
107.04962	2.1
107.08608	2.5
116.99477	2.7
117.07016	1.8
119.08599	1.4
121.10201	1.2
126.17956	1.2
129.07011	2.5
131.04968	1.3
131.08606	1.8
133.10139	1.7
135.08080	2.0
135.11667	1.5
140.01059	0.9
143.08609	1.9
145.06485	5.3
145.10136	1.6
147.08029	1.3
155.08545	1.7
157.06522	2.9
157.10207	1.1
159.08063	10.9
159.11751	2.2
160.05286	1.2
161.06015	4.5
161.09697	1.1
165.07004	1.8
165.09134	1.4
167.08574	1.4
169.06451	5.0
169.10152	1.4
170.10936	1.0
171.08076	4.1
172.06378	1.1
173.06004	3.0
173.09651	4.3
173.72418	1.0
174.06763	1.5
174.99292	1.9
175.07521	3.7
176.98985	4.4
181.06534	2.5
183.08054	12.0
183.11708	1.4
184.08788	5.4
185.09618	7.9
186.06752	2.1
187.07625	3.8
187.11240	3.9
189.09125	3.4
191.07060	2.0
193.10222	1.1
195.08083	1.1
195.11951	1.1
196.08704	1.4
197.06067	1.6
197.09669	4.2
197.13319	2.1
199.07584	4.3
199.11243	3.0
200.08287	5.0
201.09111	21.4
201.12770	5.4
203.10680	1.3
207.11844	1.2
209.09709	2.2
210.10437	2.6
211.07613	1.8
211.11189	15.5
213.09247	1.8
213.12781	2.8
215.10667	8.6
215.14233	2.0
216.11510	2.1
217.12221	2.0
220.08894	1.2
223.11163	1.6
224.12021	2.9
225.09454	1.6
225.12726	18.8
225.14703	1.4
226.13528	19.2
227.10686	7.2
227.14285	3.9
229.12206	11.4
233.11809	3.2
235.11290	3.6
237.09163	1.4
238.10048	1.3
239.11185	3.1
241.12228	4.8
242.13028	11.3
243.13782	13.3
243.17505	1.5
252.11563	1.2
253.12231	11.6
253.16022	1.4
256.14609	2.0
257.12299	3.9
262.13519	1.5
267.17438	15.3
271.13504	3.0
271.17007	13.7
277.15930	3.2
285.15308	1.7
285.18484	38.7
285.21713	1.9
286.19022	1.5
289.14346	15.7
289.17609	1.4
295.16962	25.3
295.19519	0.9
313.14462	1.6
313.17978	31.1
331.19067	100.0
332.19250	3.0
349.18701	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	331.1902
Annotation	Sarcostolide E
Peak:m/z	Relative Intensity
55.05493	1.8
56.96560	1.6
57.07067	0.9
59.04991	1.2
69.03411	0.7
69.07059	2.6
71.32580	1.7
72.66718	0.8
79.05488	1.9
81.07056	2.3
90.45051	0.8
91.05512	1.2
93.07030	1.1
95.08608	1.3
97.06525	3.4
98.06062	0.8
98.98463	54.4
100.98846	2.0
105.07041	1.1
107.08565	1.5
109.10121	1.0
116.99518	3.0
119.08607	1.5
121.41465	0.8
140.01123	1.1
141.07008	1.2
143.08492	1.0
145.06473	1.3
145.10144	2.0
155.08554	1.9
157.06516	1.6
159.08025	4.8
165.07050	2.0
169.06432	2.2
170.07249	1.0
171.08037	1.9
173.05969	1.5
173.09636	1.6
174.99303	1.9
176.98946	4.2
181.06461	0.9
183.08043	10.7
183.11662	1.2
184.08812	3.4
185.05916	1.2
185.09604	7.4
186.06754	1.4
187.07549	2.1
187.11166	2.7
195.08084	0.9
196.08798	1.3
197.09558	2.5
197.13261	1.8
198.06630	1.2
199.07635	2.4
199.11067	1.9
200.08299	3.3
201.09074	18.6
201.12798	3.3
207.11723	1.7
209.09566	1.3
210.10379	2.3
211.07730	1.0
211.11159	14.0
213.09177	1.6
215.10757	4.5
215.14246	1.3
216.11418	1.3
217.12231	1.5
220.08792	0.9
223.11145	1.3
224.11900	1.9
225.12730	14.5
225.16248	1.1
226.10078	1.3
226.13515	16.9
227.10701	5.9
227.14264	2.7
229.12218	10.0
234.10493	1.0
235.11215	3.6
239.17868	1.4
241.12239	3.6
242.13025	9.1
243.13829	10.5
244.14423	1.2
252.11435	1.2
253.12177	7.8
253.15924	1.0
254.12730	1.1
257.19254	0.9
261.57336	1.0
267.17413	12.0
271.13330	3.3
271.16898	12.5
277.15829	3.3
285.18469	29.4
289.14294	11.0
295.16946	20.5
296.17316	1.0
313.14270	1.3
313.17978	27.9
314.18307	2.1
331.19025	100.0
332.19339	4.4
349.16782	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	331.2841
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05505	17.7
56.96553	2.3
57.03428	6.3
57.07077	100.0
67.05505	26.4
68.63411	2.1
69.07072	21.5
70.06588	2.9
71.08632	69.9
75.04465	4.3
79.05486	4.1
81.06609	2.4
81.07060	33.3
82.97678	1.7
83.08621	28.6
85.10182	41.3
88.07629	3.9
89.06025	2.4
93.07023	2.8
95.08609	64.1
97.10169	13.5
98.98468	58.2
99.11738	4.3
109.10158	26.2
111.11700	5.3
114.95551	1.8
116.99535	3.0
123.11690	11.1
128.99759	1.9
130.09966	1.9
137.13255	4.4
176.98947	6.0
188.01392	1.9
221.22699	3.2
239.23680	20.5
257.24875	5.8
313.19400	2.1
313.27362	67.1
314.27625	3.0
331.34027	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	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	10.4
57.03440	7.9
57.07076	100.0
58.85528	1.8
67.05148	2.4
67.05502	26.6
69.07068	16.8
69.71414	9.2
70.06589	9.0
71.06886	2.3
71.08632	62.9
75.04473	3.5
79.05474	1.8
81.07060	32.4
83.08620	27.2
85.06504	1.7
85.10182	39.5
88.07637	8.3
89.07937	1.9
93.07015	1.8
95.08611	53.0
97.10165	14.0
98.21539	2.4
98.98469	29.1
99.11687	2.2
101.12124	1.5
102.09151	2.1
106.08667	4.9
109.10157	26.0
111.11690	3.1
116.99463	1.8
123.11712	8.6
125.13240	2.5
137.13264	4.9
159.73871	1.7
167.00734	1.4
167.86447	1.6
176.98955	2.4
239.23647	15.0
257.24728	5.6
313.27377	52.3
313.32962	5.7
314.27838	1.9
331.34009	76.8
333.62729	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	331.2841
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
51.84027	1.5
55.05513	12.6
57.03431	7.3
57.07076	100.0
60.77577	1.6
61.61204	1.6
61.87807	1.6
67.05508	30.9
69.07069	19.0
70.08646	3.8
70.09064	5.0
71.08633	57.8
72.56754	1.6
75.04481	3.7
79.05459	2.3
80.78287	1.6
81.07062	33.8
83.08607	27.3
85.10184	38.8
89.06026	2.0
91.05497	2.5
93.07055	2.4
95.08609	56.7
97.10164	14.3
98.98468	68.6
105.51485	1.5
109.10156	26.1
111.11687	3.0
116.99496	2.5
119.08504	1.7
120.26643	1.5
121.36149	1.4
123.11713	12.3
125.13220	2.4
137.13280	5.3
139.14795	2.8
151.14879	2.2
152.19585	1.5
165.16356	2.3
176.98909	6.1
221.22627	2.5
239.23672	21.8
257.24765	6.4
313.27390	61.7
331.26288	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	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27588	1.9
55.05502	10.0
55.67686	2.0
57.03428	7.6
57.07075	97.3
67.05506	27.7
69.07058	20.0
70.06588	6.9
71.06945	2.1
71.08632	75.8
71.20191	4.8
75.04477	3.3
76.31715	2.2
79.05499	2.7
81.07057	38.6
83.08624	29.5
85.10187	34.6
88.07655	12.2
89.08002	2.9
91.05470	3.6
93.07023	2.6
95.08608	59.9
97.10154	11.4
98.98467	100.0
99.11745	3.3
100.98889	3.5
106.08666	4.9
109.10151	24.4
111.11731	3.8
116.99487	4.9
119.08559	3.2
123.11716	13.9
124.16019	2.3
125.13303	3.1
137.13274	7.2
154.58450	1.9
165.16345	2.9
174.99222	3.5
176.98903	7.7
196.85706	2.4
198.46327	2.1
221.22586	3.0
239.23709	25.6
257.24805	5.6
301.44553	2.7
313.27365	68.9
313.32941	3.9
331.26590	3.5
331.34030	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	332.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	58.7
69.47474	1.6
71.48727	2.8
74.97591	1.8
77.16077	1.9
84.96046	4.6
98.01020	1.7
98.97584	40.2
107.49937	1.7
110.97575	2.6
111.80129	1.8
112.99149	2.1
116.98624	30.1
124.99142	17.5
127.00699	3.5
131.00189	2.2
134.99660	16.4
141.02255	4.0
143.00160	45.0
152.98581	3.9
153.00717	2.7
157.01738	2.0
158.99742	3.3
159.03304	5.2
161.01228	48.7
169.01727	6.9
170.99643	22.4
173.01160	1.9
174.97687	4.2
177.00919	3.8
179.02274	4.2
185.01245	19.4
186.99164	4.9
187.02797	9.7
189.00716	46.6
192.98708	7.6
199.02835	1.9
203.02296	25.0
205.00241	5.2
205.03860	2.6
207.01750	8.6
211.02722	2.3
212.02498	3.0
213.00710	14.8
219.00195	4.4
219.02049	3.9
220.02032	9.1
221.03360	6.0
221.53201	1.9
229.98418	2.0
230.99777	2.5
231.01820	25.6
237.06354	2.5
244.97974	2.1
247.54321	2.6
248.04344	2.0
249.02869	30.3
260.01895	3.3
262.99301	3.8
263.04495	2.3
267.03903	19.8
268.52628	1.8
273.02719	3.8
285.04895	11.5
290.03235	3.2
290.98578	5.5
291.03867	51.8
309.04929	100.0
319.54108	2.5
327.05890	9.8
331.56161	2.1
332.06119	5.5
332.56061	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	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.31625	0.7
53.03939	1.3
54.09482	0.8
54.28763	0.7
54.67350	0.7
57.03429	1.4
61.02930	1.6
65.03942	1.1
67.05482	3.0
69.03432	7.1
71.22173	1.6
79.05499	1.7
81.03414	1.6
81.07057	0.9
82.95493	0.7
85.02901	6.3
87.04450	1.1
89.92494	0.8
92.72694	0.7
94.56681	0.7
97.02897	3.9
99.04425	0.9
106.06535	5.1
108.08117	100.0
109.02847	1.0
123.06793	4.0
124.07590	18.3
127.03894	1.5
134.06023	10.9
136.07573	15.0
152.07063	70.7
153.07393	1.0
154.08678	1.0
170.08125	12.2
195.29337	0.7
235.04517	0.9
314.12338	54.4
315.12384	1.3
332.13394	82.4
333.13797	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	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61292	0.5
53.03945	1.0
55.01857	0.8
55.41830	0.5
57.03424	1.9
61.02919	2.6
65.03941	1.1
67.05527	2.4
69.03433	6.7
69.54311	3.6
69.54628	0.8
71.04987	0.8
73.02924	2.6
79.05482	1.4
80.97318	0.5
81.03413	2.2
81.07034	0.8
85.02901	10.0
86.09704	0.8
87.04468	1.8
91.03938	0.8
96.08162	1.2
97.02889	4.5
98.20870	1.0
98.97576	0.5
99.04411	1.3
104.10741	2.0
106.06564	5.0
108.08116	100.0
109.02875	1.2
109.08447	0.9
119.01874	0.6
123.06805	4.1
124.07590	16.2
127.03936	2.4
128.25783	0.5
134.06033	10.7
136.07574	12.9
145.04929	1.4
152.07065	75.9
153.07491	0.7
154.08672	1.5
158.03539	0.5
161.05527	1.9
169.03676	0.5
170.05038	0.6
170.06436	0.7
170.08113	11.2
170.09425	0.8
171.06378	0.5
175.71457	0.5
194.02054	0.5
218.04498	0.4
251.08228	1.1
280.83389	0.5
314.12335	37.3
315.12640	0.6
321.10327	1.4
322.10468	0.5
332.13394	58.7
333.11438	4.3
346.63257	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	332.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98656	1.2
55.01880	2.7
55.05511	4.9
56.05041	3.3
56.96592	1.4
57.03447	1.4
60.08161	2.0
65.03926	1.7
67.05508	8.1
69.03423	5.2
69.07059	3.6
69.27654	11.6
70.06602	4.7
71.04984	3.2
73.90230	1.2
79.05498	7.8
80.05011	1.7
81.03416	5.1
81.07047	13.1
83.04991	3.0
83.08619	4.8
84.04507	4.9
84.08151	4.6
84.75448	1.1
85.02911	3.6
85.06532	1.2
86.06069	25.1
86.09709	4.9
87.04466	22.4
91.05486	5.7
93.07031	8.5
94.06519	1.5
95.04976	3.7
95.08614	5.2
96.08114	3.1
97.06503	5.7
98.06067	16.2
98.20760	2.6
98.98460	10.8
102.05520	2.3
104.07105	16.0
105.07039	3.3
107.04999	1.6
107.08601	3.0
109.06541	1.4
110.06010	1.4
111.08072	2.6
112.07610	6.1
113.72100	1.2
114.05570	1.4
117.07047	1.4
119.08598	3.8
121.06442	2.0
121.10156	4.2
122.09630	1.5
123.08062	2.5
124.07612	7.8
125.07872	1.5
126.09167	1.9
129.06984	1.5
131.08586	2.0
133.10141	4.4
135.11687	1.4
136.07678	1.7
137.05992	3.2
138.06340	2.1
138.12749	1.9
140.07085	1.3
140.10660	1.6
142.08672	2.5
147.04393	1.3
147.05551	1.8
147.11629	2.0
149.09605	12.9
151.07506	2.9
152.07079	5.4
157.10139	1.5
158.08134	2.7
159.11713	1.9
166.05038	3.6
166.12253	1.8
168.10191	2.0
173.12927	2.1
175.11121	1.6
182.15378	2.4
184.13307	2.2
189.09131	1.3
192.13832	1.6
193.12267	5.2
196.08492	1.4
201.12369	1.4
208.06113	2.6
210.14929	6.1
211.07213	1.4
211.13310	11.4
252.15965	5.1
260.16531	1.6
269.09296	2.1
270.17023	7.7
278.17560	3.5
286.11880	1.4
288.13110	2.9
288.18024	12.9
296.18588	4.6
314.19598	100.0
315.09851	1.9
315.19897	3.6
332.13898	1.5
332.20648	2.4
332.24289	18.6
333.10852	1.7
333.14505	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	333.1153
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
58.83445	0.5
60.26080	0.4
67.66521	0.3
70.74368	0.7
70.74736	0.8
72.08134	0.5
73.34793	0.4
85.02920	0.5
86.09681	0.4
97.02876	0.6
98.97623	0.5
98.97742	0.6
98.98457	6.5
100.98942	0.5
116.98624	0.5
128.77734	0.4
131.75488	0.4
140.22362	0.4
171.06316	0.9
176.98965	0.8
184.04939	0.5
273.09158	0.7
333.11545	100.0
334.11847	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	333.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53698	0.5
56.96565	39.6
59.38892	0.5
67.05477	0.6
69.81721	0.9
69.82127	2.1
71.95264	7.1
72.96021	1.7
74.97604	2.1
79.05479	0.5
81.07046	0.8
83.69321	0.5
84.96034	3.4
85.28909	0.5
89.96294	0.5
91.05499	0.7
92.98618	0.7
93.07047	0.9
95.08588	0.5
97.96790	2.5
98.20724	0.5
98.97588	1.2
98.98444	1.9
105.06999	0.7
110.97555	7.6
110.99669	0.7
115.00751	0.7
115.97839	2.0
116.98560	1.0
123.01159	2.0
128.98598	18.0
131.00049	0.7
133.98868	1.5
134.99641	1.1
137.02740	2.2
140.98445	2.1
141.02223	1.2
143.00089	2.3
146.99643	22.3
147.00832	1.2
147.03351	0.8
149.01154	0.7
151.04330	0.5
152.00157	1.1
154.99988	0.8
155.03789	1.4
157.01654	0.8
161.01230	5.2
161.04887	0.9
165.00745	5.0
167.03766	1.0
167.28592	0.5
169.01634	0.8
169.05377	1.1
170.01245	1.5
171.03258	1.5
173.28995	0.5
174.99005	1.4
175.02747	1.3
175.06419	0.6
179.02275	1.3
179.03745	0.6
179.05876	0.7
179.99449	0.8
185.04826	0.9
187.02774	0.7
189.00505	1.8
189.04276	3.1
190.05132	0.8
191.03651	0.6
193.03766	0.7
195.06998	0.9
203.02147	0.7
203.05894	2.1
207.07010	0.6
209.08531	0.7
213.08044	0.9
217.07349	1.2
221.04845	1.1
221.08556	0.8
225.07899	0.9
226.08960	0.7
227.09584	1.3
238.08775	0.8
241.11133	1.0
244.09901	0.6
245.08360	0.8
245.10591	1.9
259.12164	1.4
263.09558	4.2
264.10345	0.6
265.11169	0.7
270.11319	1.1
277.11075	1.5
281.10587	1.3
289.11032	0.7
303.12604	3.0
313.14853	1.1
315.16281	51.6
316.16599	1.9
317.14090	1.0
321.13678	1.4
331.15747	3.8
333.17319	100.0
334.17545	3.1
349.16852	1.2
351.18417	24.1
352.18668	0.8
356.18985	15.1
357.18985	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	333.1907
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03946	5.6
53.74934	2.3
55.01870	5.9
55.05519	5.3
57.03434	6.9
57.07077	12.5
59.05000	10.6
60.04534	6.4
61.02917	10.1
67.05512	21.0
69.03429	36.4
69.07070	12.4
69.21547	29.6
70.06610	4.2
70.10548	2.4
71.04992	10.2
73.02892	5.7
79.05479	6.3
81.03426	17.2
81.04932	2.8
81.07053	6.6
83.04964	3.1
83.08620	7.8
85.02911	100.0
85.06534	14.9
86.09711	17.9
87.04476	2.9
87.10040	4.7
91.03970	7.4
91.05480	5.4
93.07038	17.0
94.06573	3.5
95.04979	6.0
95.08610	56.9
96.08144	5.0
97.02886	25.7
97.06539	6.2
97.10175	2.4
98.98477	12.6
99.04451	4.1
99.08106	13.4
105.06998	3.0
107.08607	15.5
109.02895	7.7
109.06507	9.8
109.10165	25.1
111.08106	15.1
112.15369	2.3
113.09649	71.1
116.10374	2.4
119.04920	3.0
119.08639	3.4
120.08155	3.0
123.08020	3.1
127.03923	22.1
127.11194	48.0
128.09808	2.3
130.06586	3.3
135.11711	14.5
135.61481	2.4
136.07549	2.8
137.13206	3.5
138.05502	5.9
140.07005	3.0
145.04955	22.5
147.04440	10.4
150.05511	12.0
152.07065	5.9
153.11531	5.9
153.12746	81.7
155.14264	12.7
159.11836	2.7
164.07069	5.0
166.08603	3.3
171.13805	48.6
173.12939	8.9
174.07671	3.0
174.13177	7.4
202.12680	3.1
212.09428	3.5
213.10301	7.2
213.14981	3.7
227.08252	3.2
227.11748	14.1
228.12350	3.7
241.13625	2.9
252.09273	3.4
255.11165	4.4
269.09341	5.1
269.12860	9.4
272.11652	3.3
287.13916	23.2
297.08365	4.2
301.11896	9.6
315.09637	8.7
315.13367	7.4
333.10800	6.9
333.14270	7.1
333.18411	5.8
333.24741	5.8
355.48874	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97685	0.5
56.96550	1.7
57.07064	0.5
67.05489	1.6
69.07056	0.7
70.75150	1.0
71.08640	0.7
79.05489	1.5
81.07049	1.6
83.08579	0.5
87.04485	1.1
91.05476	1.0
93.07026	0.9
95.08598	1.0
97.06514	1.4
98.98460	4.7
102.78165	0.4
105.07051	1.0
107.08538	0.6
109.10147	0.7
119.08556	1.0
120.13477	0.4
120.80672	0.4
121.10125	0.5
129.07086	0.5
133.10133	0.8
143.08574	0.6
147.11679	0.4
149.02368	0.8
157.01642	0.5
172.59348	0.4
175.07553	0.4
176.98955	0.7
193.04982	1.2
201.09242	0.6
220.12700	0.5
221.97260	0.4
223.14836	0.6
228.15703	0.4
235.13051	1.4
242.21143	0.5
251.12494	0.7
315.15927	1.4
315.19150	0.6
333.20352	100.0
333.75848	1.0
334.20554	2.2
351.18463	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	333.2034
Annotation	PGB3
Peak:m/z	Relative Intensity
63.25378	1.3
69.46621	10.3
92.64574	1.4
98.98483	8.6
109.63747	1.5
165.71149	1.3
177.18591	1.4
284.86172	1.3
286.40512	1.3
304.44241	1.5
315.19345	38.4
315.22989	1.9
333.20367	100.0
333.34344	2.1
334.20697	3.9
358.31122	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.9
57.07082	1.1
59.68608	0.9
62.69778	1.0
67.05494	1.4
69.40566	7.7
69.74014	0.8
71.58675	0.8
73.29392	0.8
73.76208	0.8
77.00891	1.4
79.05492	1.7
81.07066	1.0
98.98449	7.8
121.56506	0.9
143.21933	0.9
147.08055	1.1
176.98869	1.1
193.05011	2.8
195.09973	1.4
201.09793	1.0
213.09798	1.4
219.10834	1.4
257.12329	2.2
292.23581	1.1
302.64642	0.9
315.18182	1.5
317.21201	1.8
333.20349	100.0
334.20667	1.5
349.07877	0.9
351.19711	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23865	0.5
69.03311	0.4
69.94557	1.0
69.94963	1.8
70.42794	0.5
81.07059	0.7
87.04456	1.3
93.67929	0.5
98.20939	0.6
98.98451	1.4
117.63142	0.5
137.06055	1.1
193.05040	0.7
198.48730	0.6
199.59479	0.5
201.09727	0.6
219.10893	0.7
244.33965	0.5
257.12320	1.1
274.84747	0.6
289.95737	0.5
333.20355	100.0
334.20764	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	333.2059
Annotation	Nb-Desmethyl-meso-chimonanthine
Peak:m/z	Relative Intensity
53.03942	0.2
55.01884	0.3
55.05505	0.8
55.18269	0.2
56.96555	1.2
67.05493	0.8
69.07078	1.4
70.62920	0.8
71.04976	0.3
79.05484	0.9
81.07058	1.4
83.04988	0.5
83.08618	1.0
83.52996	0.2
85.06560	0.4
85.13233	0.2
87.04439	0.4
91.05482	1.0
93.07038	1.1
95.04955	0.6
95.08609	1.1
97.06522	1.2
98.98463	1.6
105.07018	0.8
107.04950	0.8
107.08596	0.8
109.06526	0.3
109.10158	0.7
111.08083	1.3
117.06994	0.4
119.08569	0.7
121.02910	0.3
121.06574	0.4
121.10152	0.4
123.11674	0.3
125.09646	0.3
128.06172	0.3
131.08562	0.5
133.06544	1.2
133.10139	0.9
135.08034	0.9
137.09592	0.9
141.06966	0.3
143.00160	0.3
143.08539	0.7
145.06506	1.8
145.10118	0.6
147.04433	0.6
147.08037	1.5
149.09605	0.4
151.11151	0.3
153.06970	0.4
155.08560	2.1
157.06485	1.0
157.10138	0.4
158.07233	0.6
159.08046	2.2
159.11659	0.3
161.01181	0.3
161.06013	1.5
161.09616	0.9
161.13307	0.4
163.07544	8.0
163.11194	0.4
165.07021	1.2
171.08052	4.1
172.08759	0.3
173.05966	0.3
173.09616	2.4
175.07487	1.3
175.11169	0.5
183.08054	10.0
185.09639	1.4
187.07564	0.9
187.11206	1.8
189.00702	0.5
189.09062	2.0
189.12675	0.5
190.09828	0.3
195.08044	0.9
197.09662	0.6
198.10422	0.7
199.07498	0.8
199.11194	0.8
201.09143	1.2
201.12794	0.8
203.02237	0.3
203.10677	2.2
205.12234	1.1
211.11235	0.5
213.09325	0.6
213.12733	6.0
215.06619	0.5
215.10735	0.5
215.14401	0.7
217.12204	0.5
222.10390	0.6
225.09111	0.3
225.12787	0.7
227.14371	0.6
229.12238	1.0
237.12744	1.2
239.10576	0.5
241.15965	0.4
255.13751	0.7
273.14935	0.4
291.15894	11.2
297.18506	0.4
315.19510	0.6
316.68661	0.2
333.20596	100.0
334.20886	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	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05569	1.0
52.75698	1.0
55.01858	1.3
56.96559	1.4
57.03428	2.6
61.02915	4.3
69.03423	7.9
70.00404	1.2
70.06613	1.2
70.08623	5.1
71.63465	0.9
73.02909	2.5
74.06093	1.2
79.76466	1.0
81.03412	3.7
83.04974	1.0
84.04510	2.1
85.02903	32.1
86.09704	2.3
87.04474	1.3
91.03962	1.2
91.05476	11.7
97.02895	8.9
98.98467	4.1
102.64853	0.9
104.51781	1.0
109.02843	3.0
109.06536	1.3
119.04935	7.4
126.09164	2.0
127.03922	4.8
130.06535	2.2
132.08105	3.8
136.07585	3.8
137.05974	100.0
144.08098	2.9
145.04939	7.6
146.99654	1.1
154.08609	5.7
155.07014	8.6
159.09171	5.8
162.05450	1.6
165.05447	1.2
170.06021	2.9
172.09692	8.8
177.00764	1.0
178.25937	1.1
179.07074	1.6
180.08672	4.0
223.26881	1.2
237.08546	1.3
264.07242	1.1
317.11343	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	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
54.33926	0.8
55.01855	1.5
55.05513	6.0
56.05029	0.8
56.96560	4.7
57.03436	2.8
58.06587	1.5
61.02909	3.0
62.48350	0.9
67.05487	2.3
69.03427	7.4
69.07063	1.1
69.58575	2.1
69.58991	4.1
70.06583	3.0
71.04973	3.8
72.08148	1.9
73.02931	1.3
74.06100	1.5
79.05477	3.6
79.87927	1.0
81.03432	4.8
81.06609	1.4
81.07056	16.3
83.08608	5.2
83.77443	0.8
84.04517	1.9
84.08140	2.8
84.96017	1.6
85.02386	1.1
85.02905	18.4
85.06532	3.1
86.09698	2.1
91.03930	1.0
91.05484	1.5
93.07037	2.3
95.04948	1.3
97.02887	7.2
97.05193	0.8
98.06052	2.1
98.09678	3.4
98.97582	9.0
98.98451	2.2
99.08080	2.1
108.08104	4.1
109.02919	2.0
109.06508	17.6
110.97569	2.4
111.08086	1.2
116.98626	7.8
118.06620	1.0
120.08107	0.9
124.07556	1.1
126.09156	45.2
127.03907	3.4
127.07555	15.2
128.98608	3.2
130.04979	4.9
130.08620	1.9
134.99637	4.3
136.07576	1.6
137.05945	3.0
138.09111	1.8
140.31418	1.0
143.00156	1.3
145.04976	2.3
146.99623	2.7
154.08627	62.6
155.07022	38.0
158.99702	1.4
161.01166	1.4
162.05467	1.8
170.99675	1.7
172.09686	100.0
173.08109	1.4
175.10793	1.1
176.39026	0.8
177.00743	3.7
190.04820	1.0
192.65923	0.9
203.10342	1.0
206.08098	7.7
219.01814	2.4
220.75998	0.8
225.06940	1.4
237.02809	5.5
271.10730	1.5
272.01398	1.0
275.08054	1.4
293.09052	11.0
311.10068	2.5
316.13544	1.2
317.11304	1.3
334.08963	29.8
335.09668	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	335.0738
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
56.94725	6.8
64.17056	6.7
70.21243	28.5
70.21606	11.2
70.84485	6.7
74.03098	9.0
79.18758	7.0
335.06946	100.0
335.13153	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	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89044	0.9
62.22377	0.7
65.32499	0.7
67.05526	0.9
69.03413	0.8
69.07053	4.7
69.67509	0.8
69.67883	5.2
70.06590	1.5
79.05491	0.9
80.05001	1.5
82.58416	0.8
84.08142	3.0
85.02888	1.5
86.09709	2.2
92.05010	1.0
93.07027	0.9
94.06558	1.4
96.04469	2.1
97.06526	1.9
98.21571	1.0
106.06567	0.8
108.04483	1.6
108.08134	0.9
110.06036	1.5
117.07017	1.4
119.08643	0.8
120.04557	1.3
120.08108	4.1
122.05997	4.9
124.03928	1.9
124.07657	0.9
129.07013	1.2
130.06465	1.1
136.07599	7.1
143.07292	0.9
144.08090	3.9
145.08904	0.9
147.09149	1.1
148.04016	1.2
148.07576	1.1
150.05460	4.6
151.73396	0.8
153.06967	1.2
154.06519	1.2
155.07306	1.6
155.08501	0.9
156.08089	3.1
157.08875	1.2
158.06027	1.2
158.08464	1.2
158.09647	4.4
160.07544	4.0
161.10832	1.5
162.05469	1.8
164.07088	2.0
166.05013	2.2
168.06578	0.8
168.08095	0.9
170.09644	3.6
171.06854	0.9
171.09213	1.1
172.07588	7.8
172.09959	2.2
172.11246	1.3
173.10713	3.2
174.07816	1.5
174.09161	3.9
175.08633	5.1
182.08220	1.9
183.06708	1.6
184.07565	9.9
185.08441	1.7
186.07956	1.1
186.09209	8.7
187.08649	1.8
187.12314	5.0
188.06981	0.9
188.09329	1.8
188.10788	1.3
189.10226	3.7
196.07500	1.3
197.08383	1.1
198.09161	13.6
199.06432	0.9
199.08626	4.9
200.07072	12.7
200.09378	5.1
200.11014	1.6
201.10228	11.9
202.08633	2.3
210.53049	1.0
211.08717	3.9
212.07112	4.0
213.10109	2.0
214.07065	1.8
214.08673	4.8
214.10706	1.2
215.08237	3.4
215.11789	17.4
216.08862	2.4
216.10454	0.9
216.12115	1.0
217.09735	7.5
225.10268	2.6
226.08676	6.5
227.08170	8.9
228.06517	3.2
228.08621	1.6
228.10445	1.2
229.09709	31.1
230.10402	1.8
231.11317	1.5
239.08176	1.7
241.09717	2.3
242.08270	1.4
242.10318	4.2
243.07628	1.8
243.11285	40.9
245.09206	36.9
253.09724	6.3
254.08141	1.7
257.09201	11.7
258.10037	3.1
259.10779	9.6
261.12378	1.7
271.10767	100.0
272.11221	1.9
273.12347	4.5
275.10208	1.0
277.11578	1.0
277.93256	1.0
281.09180	11.5
282.07547	0.9
287.10251	34.3
288.10983	2.3
289.11832	19.5
299.10260	26.4
300.08447	1.0
304.10614	1.7
305.11279	13.3
307.12839	1.1
317.11325	23.7
317.15015	1.6
318.09564	1.7
335.12363	15.8
335.15897	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	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.7
56.96552	1.0
57.03408	2.2
60.34874	0.6
65.03924	0.8
67.05486	0.9
69.03420	1.9
69.07044	1.7
70.06567	2.4
70.24080	1.7
70.24477	1.7
71.04963	0.9
72.08134	1.0
74.06083	0.8
75.20924	0.7
79.05459	0.9
81.07024	0.8
83.05037	0.9
84.04505	16.9
84.08102	1.3
85.02902	29.3
86.06024	1.4
86.09681	1.6
87.04440	1.1
91.05463	0.9
95.01302	2.9
95.08591	1.1
97.02882	1.2
97.06479	1.0
98.97563	1.2
100.07578	1.7
102.04953	1.1
102.05543	10.1
107.04985	1.1
109.02843	1.2
110.06039	0.9
112.03948	2.1
113.02347	2.0
116.98562	0.7
118.06532	24.2
122.06023	0.8
122.70770	0.7
124.07572	1.5
127.03891	0.8
130.04997	76.1
138.05476	1.2
144.08072	1.6
146.06004	11.3
147.04375	1.5
148.07547	1.5
150.05444	1.1
154.04890	0.9
164.07057	1.3
166.04982	1.0
168.06599	0.9
174.05496	12.2
176.07005	2.0
179.03377	1.0
180.08002	0.8
184.07539	1.1
186.13528	0.7
188.07094	1.1
197.10576	1.0
198.09232	1.6
201.10277	1.1
206.08122	100.0
207.08423	2.4
211.08641	0.9
215.11787	1.9
225.10310	0.8
227.08081	0.8
227.11871	0.8
229.09717	3.0
240.08813	1.0
241.09723	1.0
243.11287	3.1
245.09265	1.3
247.10818	0.8
248.09200	1.0
253.09752	1.2
257.09216	2.6
259.10980	0.8
271.10785	7.4
272.09003	1.0
275.10220	0.9
287.10205	4.1
288.10867	0.9
289.11865	4.6
290.10077	1.7
299.10229	4.3
304.08142	1.2
305.11169	1.1
317.11249	14.4
317.14386	0.5
318.09531	8.2
335.09348	2.1
335.12390	44.0
335.15729	1.9
336.10565	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	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
55.05513	1.4
56.96559	2.6
57.03435	0.8
57.91071	0.8
62.62077	0.9
65.03939	2.1
67.05509	2.3
69.03421	2.2
69.07061	2.9
69.57444	3.7
69.57854	2.2
70.06587	2.7
71.04987	1.1
79.05500	1.6
80.05028	1.5
81.07057	2.1
82.06598	1.2
83.04989	1.2
83.82263	0.9
84.08134	2.6
85.02915	5.1
86.09700	1.7
87.04484	1.7
91.05473	2.3
92.04997	0.9
93.07054	1.8
95.04962	2.2
95.08615	1.1
96.04493	3.6
97.02889	1.8
97.06560	1.0
98.20839	1.0
98.97597	3.5
100.07632	5.3
105.07024	1.0
107.04922	1.3
108.04492	2.1
108.08123	1.4
109.02865	1.7
109.10210	0.9
110.06040	1.2
110.09695	1.0
116.98602	1.8
118.06540	1.8
119.04917	1.2
120.04460	2.5
120.08097	2.6
121.06540	2.1
122.06026	6.1
124.03903	1.5
124.07619	1.1
127.03954	1.2
128.06267	1.1
128.98700	1.0
129.07037	2.3
134.05980	1.3
136.03986	1.4
136.07578	6.7
137.09563	1.3
138.03716	1.2
138.05486	2.2
138.09119	1.4
143.07228	0.9
144.08096	2.9
146.06009	2.7
146.09634	1.1
147.05623	1.0
148.07579	1.3
150.05479	3.3
152.07043	1.3
155.07350	1.8
156.08096	2.1
157.08818	1.6
158.06084	1.6
158.09669	3.5
159.09187	1.4
160.07632	2.8
160.11244	1.7
161.08313	0.9
162.05527	1.6
162.09138	1.3
163.03903	9.3
163.05074	1.0
164.07018	5.0
166.04980	1.6
168.06686	1.2
170.09671	4.2
172.07611	6.9
172.09927	2.6
172.11256	1.3
173.07100	1.4
173.08438	1.2
173.10759	2.6
173.13297	0.9
174.05635	2.5
174.07861	2.0
174.09169	4.3
175.08682	5.7
182.08304	1.9
182.09763	1.1
183.06784	1.0
184.07588	7.7
186.07777	1.2
186.09166	10.5
187.08696	1.9
187.12306	7.7
188.07072	1.2
188.09317	1.7
188.10793	2.1
189.10243	3.8
192.02893	1.0
197.10844	1.5
198.09178	13.4
199.08705	5.2
200.07089	10.6
200.09430	5.8
200.11028	1.4
201.10283	8.9
202.08643	2.1
202.10768	0.9
203.08105	1.2
206.08160	1.5
211.08688	2.4
212.07150	2.0
213.06616	2.7
213.10062	1.5
214.06960	1.3
214.09004	4.7
214.10530	1.0
215.08221	2.9
215.11789	18.4
216.08820	1.7
217.09714	6.4
218.08142	1.1
225.10242	4.6
226.08716	7.9
226.10890	1.4
227.08144	9.9
228.06514	3.8
228.08945	3.1
229.09731	22.2
230.10391	2.0
231.11343	1.5
237.02870	1.3
239.08167	2.1
241.09702	3.2
242.08099	2.7
242.10522	5.2
243.07600	2.0
243.11288	37.6
244.09787	2.0
245.06673	1.4
245.09212	26.1
246.09555	1.2
253.09650	4.3
254.08180	1.6
255.11385	1.1
257.09195	14.7
258.09949	4.9
259.10773	7.4
260.09113	1.4
261.12418	1.9
266.32370	1.0
271.10770	100.0
272.11307	2.3
273.12381	4.7
275.10406	1.0
281.09161	7.2
287.10248	23.1
288.10983	3.2
289.11792	23.5
290.10239	1.8
293.09079	2.3
299.10263	30.0
300.08582	2.0
305.11270	13.1
306.09662	1.4
307.12891	2.2
317.11316	38.4
335.12418	17.5
335.16046	1.8
336.10947	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	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89044	0.9
62.22377	0.7
65.32499	0.7
67.05526	0.9
69.03413	0.8
69.07053	4.7
69.67509	0.8
69.67883	5.2
70.06590	1.5
79.05491	0.9
80.05001	1.5
82.58416	0.8
84.08142	3.0
85.02888	1.5
86.09709	2.2
92.05010	1.0
93.07027	0.9
94.06558	1.4
96.04469	2.1
97.06526	1.9
98.21571	1.0
106.06567	0.8
108.04483	1.6
108.08134	0.9
110.06036	1.5
117.07017	1.4
119.08643	0.8
120.04557	1.3
120.08108	4.1
122.05997	4.9
124.03928	1.9
124.07657	0.9
129.07013	1.2
130.06465	1.1
136.07599	7.1
143.07292	0.9
144.08090	3.9
145.08904	0.9
147.09149	1.1
148.04016	1.2
148.07576	1.1
150.05460	4.6
151.73396	0.8
153.06967	1.2
154.06519	1.2
155.07306	1.6
155.08501	0.9
156.08089	3.1
157.08875	1.2
158.06027	1.2
158.08464	1.2
158.09647	4.4
160.07544	4.0
161.10832	1.5
162.05469	1.8
164.07088	2.0
166.05013	2.2
168.06578	0.8
168.08095	0.9
170.09644	3.6
171.06854	0.9
171.09213	1.1
172.07588	7.8
172.09959	2.2
172.11246	1.3
173.10713	3.2
174.07816	1.5
174.09161	3.9
175.08633	5.1
182.08220	1.9
183.06708	1.6
184.07565	9.9
185.08441	1.7
186.07956	1.1
186.09209	8.7
187.08649	1.8
187.12314	5.0
188.06981	0.9
188.09329	1.8
188.10788	1.3
189.10226	3.7
196.07500	1.3
197.08383	1.1
198.09161	13.6
199.06432	0.9
199.08626	4.9
200.07072	12.7
200.09378	5.1
200.11014	1.6
201.10228	11.9
202.08633	2.3
210.53049	1.0
211.08717	3.9
212.07112	4.0
213.10109	2.0
214.07065	1.8
214.08673	4.8
214.10706	1.2
215.08237	3.4
215.11789	17.4
216.08862	2.4
216.10454	0.9
216.12115	1.0
217.09735	7.5
225.10268	2.6
226.08676	6.5
227.08170	8.9
228.06517	3.2
228.08621	1.6
228.10445	1.2
229.09709	31.1
230.10402	1.8
231.11317	1.5
239.08176	1.7
241.09717	2.3
242.08270	1.4
242.10318	4.2
243.07628	1.8
243.11285	40.9
245.09206	36.9
253.09724	6.3
254.08141	1.7
257.09201	11.7
258.10037	3.1
259.10779	9.6
261.12378	1.7
271.10767	100.0
272.11221	1.9
273.12347	4.5
275.10208	1.0
277.11578	1.0
277.93256	1.0
281.09180	11.5
282.07547	0.9
287.10251	34.3
288.10983	2.3
289.11832	19.5
299.10260	26.4
300.08447	1.0
304.10614	1.7
305.11279	13.3
307.12839	1.1
317.11325	23.7
317.15015	1.6
318.09564	1.7
335.12363	15.8
335.15897	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	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
53.03946	0.8
55.01883	0.4
55.05505	0.9
55.55382	0.3
56.96552	0.4
65.03944	3.7
67.05508	5.3
69.03426	0.8
69.07070	100.0
70.06575	0.5
70.07400	0.8
71.48869	0.6
72.88431	0.4
73.35084	0.4
77.03923	0.5
79.05495	2.0
80.05023	1.7
81.03435	0.6
81.07062	5.8
82.06581	0.8
83.04982	0.4
83.08619	0.6
84.04473	0.4
84.08155	0.9
91.04220	0.6
91.05492	1.4
92.05008	4.3
93.05789	0.4
93.07035	2.0
94.06566	4.7
95.04961	1.9
95.08627	0.9
95.10430	0.4
96.08141	1.1
97.06533	16.9
98.97561	0.4
105.07039	1.4
106.06538	0.8
107.03666	0.6
107.04962	0.5
107.08591	1.0
108.04494	1.2
108.08086	0.6
108.79061	0.4
109.06502	1.9
109.10150	0.6
110.06077	0.6
115.05432	0.4
117.07005	0.6
119.03690	0.9
119.08606	1.1
120.04457	0.4
121.05277	0.5
121.06518	1.2
121.10129	1.2
122.06027	8.5
122.09626	0.4
123.08057	0.6
123.11723	0.8
124.07607	2.5
125.06007	1.4
125.09618	0.4
126.05453	0.6
128.06258	0.4
130.06526	0.5
130.07750	0.6
131.07353	0.7
131.08577	0.9
132.08099	0.5
133.10107	0.8
135.08073	0.5
136.07520	0.4
137.05969	3.0
138.05504	6.3
139.03903	0.4
140.07074	9.1
141.07878	0.7
142.08745	0.6
143.07327	0.5
143.08620	0.9
144.08081	2.2
145.06441	0.5
145.08878	3.4
145.10136	2.1
146.09621	4.5
147.06802	1.5
148.03918	1.9
150.05507	84.7
151.05853	0.8
152.03418	1.3
152.07014	0.5
155.08548	0.8
156.08090	0.4
157.08873	2.1
157.10100	0.7
158.05994	0.8
158.09633	1.0
159.06764	0.5
159.10426	1.2
160.07591	1.5
160.11194	1.1
161.08391	6.9
161.09633	0.4
162.09167	4.6
162.12798	0.6
163.05113	0.5
164.03452	1.7
164.07089	0.7
165.04201	1.5
166.05009	31.1
167.05487	0.5
167.07326	0.6
168.06586	2.1
168.07953	0.5
170.09650	0.7
172.07526	2.3
172.11209	3.7
173.08382	2.0
173.09639	1.0
174.05511	0.5
174.09111	1.9
174.12782	6.8
175.09848	0.5
176.03423	8.5
178.05035	2.6
179.07057	0.9
182.04475	1.2
182.09660	0.5
183.06790	0.7
185.08395	2.3
186.05591	0.6
186.07635	1.6
186.09123	0.8
187.09996	0.6
188.07043	0.8
188.10727	2.6
190.05116	0.4
190.08600	1.4
190.12280	9.3
192.02924	1.3
194.04515	3.4
197.10883	0.4
198.07863	1.6
198.09261	1.2
200.07031	1.1
200.10764	7.3
202.08691	0.7
202.12265	8.9
204.06505	0.6
204.10210	0.6
206.08176	0.6
206.11789	1.1
209.77896	0.4
212.09433	0.5
213.08223	0.4
213.10210	1.6
215.08124	0.6
215.11720	0.4
216.10194	6.4
218.08151	1.8
218.11761	28.3
219.12111	0.9
222.58073	0.4
225.10249	0.9
226.08684	1.1
227.11761	1.3
228.10207	17.6
229.13400	1.7
230.11783	1.1
232.18369	0.4
234.11259	6.7
238.33244	0.4
241.09647	0.6
243.11349	1.7
244.09720	3.0
245.12878	1.5
246.11269	27.0
253.09703	0.9
254.08115	0.6
255.11414	1.0
256.09772	2.1
257.09305	2.0
258.79337	0.4
259.10782	0.5
261.08780	1.2
261.12405	1.9
262.10681	1.4
271.10739	4.2
272.09158	4.0
273.12335	4.0
274.10754	4.0
287.10266	10.6
289.08591	0.8
289.11838	12.5
290.10193	2.9
291.13467	0.9
298.68613	0.4
299.10269	6.1
300.08542	0.6
305.11337	0.4
317.11331	34.5
318.09781	1.6
335.12390	22.0
335.18774	0.8
335.22183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.6
53.03951	1.1
57.03403	0.5
65.03937	3.3
67.05499	4.6
69.07069	100.0
69.44512	1.2
69.44923	3.0
70.06599	0.6
70.07403	0.8
79.05489	2.0
80.05019	1.5
81.05814	0.6
81.07054	6.1
82.06586	0.7
91.04224	0.7
91.05490	1.0
92.05012	4.0
93.05790	1.0
93.07057	2.0
94.06563	4.0
95.04969	1.9
95.08633	0.8
96.08123	1.0
97.06531	17.0
104.05019	0.6
105.07030	1.1
106.06583	0.5
107.03694	0.5
107.08592	0.8
108.04459	1.1
108.08175	0.5
109.06512	1.2
112.07583	0.6
115.05485	0.7
116.12415	0.4
117.07043	0.8
117.17282	0.5
119.03689	1.2
119.08575	1.0
120.04457	1.0
121.05261	0.9
121.06467	0.5
122.06022	8.0
123.11716	0.7
123.99413	0.5
124.07617	2.1
125.05995	1.2
128.06242	0.6
129.06993	0.6
130.06525	1.1
131.07288	1.2
131.08577	0.7
132.08167	0.6
134.06039	1.0
137.05975	3.5
138.05490	6.1
140.07077	8.8
141.07893	0.7
142.08667	0.9
143.08620	0.9
144.08096	1.7
145.06482	0.8
145.08882	3.1
145.10028	1.1
146.06023	0.7
146.09622	3.7
147.06779	1.7
148.03906	1.2
150.05502	78.8
151.05864	0.8
152.03419	0.6
155.08456	0.7
157.08862	2.3
157.10033	0.6
158.09727	1.0
159.10434	1.1
160.07596	1.5
160.11235	0.9
161.08351	3.9
162.09125	2.4
164.03354	0.9
164.09280	0.5
165.04251	1.5
166.05000	32.6
168.06563	1.2
170.06012	0.7
170.09622	0.8
171.06856	0.7
172.07567	2.5
172.11191	4.7
173.08368	2.8
173.09705	1.0
173.65274	0.5
174.05577	0.7
174.09164	2.2
174.12758	6.0
175.09909	0.8
176.03416	8.3
178.05020	3.6
182.04558	0.6
184.11380	0.6
185.08339	2.4
186.07698	1.1
186.09245	0.8
187.09911	0.7
188.10728	1.5
190.08641	0.9
190.12241	4.8
192.02951	0.7
194.04463	3.2
198.07744	1.0
198.09303	1.2
200.07076	1.0
200.10718	7.2
202.08609	0.7
202.12277	6.5
206.11786	0.8
213.10324	1.1
216.10222	4.0
218.08405	0.9
218.11766	29.4
219.11998	0.7
225.10226	0.6
227.11728	1.1
228.10193	16.3
228.12395	1.1
229.13434	1.2
230.11746	0.9
234.11276	2.7
243.07651	0.5
243.11360	1.2
244.09731	2.4
245.12892	1.6
246.11249	24.4
247.11473	1.0
253.09805	0.9
254.08124	0.7
255.11249	1.4
256.09702	2.2
257.09311	1.6
261.08759	1.0
261.12311	1.2
271.07391	0.7
271.10834	4.2
272.09119	2.7
273.12311	4.3
274.10629	2.6
287.10269	7.1
289.11823	10.1
290.10132	2.1
299.10315	5.6
304.40009	0.5
317.11304	25.5
318.09399	0.7
335.12378	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.9
67.05495	1.4
69.07053	1.6
70.63387	2.0
79.05479	1.3
81.07037	1.7
82.17901	0.7
83.04977	0.9
88.63824	0.9
91.05479	1.7
93.07037	1.0
95.08589	1.4
98.21824	0.7
105.07025	2.3
107.08497	0.7
109.10147	0.8
123.04461	0.8
133.10158	1.0
137.05972	1.8
148.87387	0.7
192.28932	0.7
227.11244	1.0
241.10960	0.9
259.12079	0.9
275.20010	1.2
279.83325	0.9
335.21912	100.0
336.22241	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	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75575	0.4
53.03931	0.7
53.98795	0.5
55.05513	3.7
57.03432	3.8
65.03948	0.5
67.05506	12.9
69.07073	3.0
71.08615	0.7
79.05491	5.7
80.42326	0.4
81.03416	0.4
81.07054	10.0
83.08623	1.5
91.05479	3.6
93.07043	6.6
95.04967	0.6
95.08605	8.1
105.07021	2.1
107.08597	3.3
109.06491	0.5
109.10147	3.3
111.08083	0.5
117.07021	0.7
119.08578	1.9
121.10146	2.7
123.11690	0.9
131.08566	1.0
133.10164	1.1
135.11699	2.1
146.83438	0.5
147.11681	0.6
149.13260	0.5
159.39809	0.4
173.13330	0.6
195.09953	0.5
201.09947	0.5
201.67221	0.4
239.11374	0.5
257.12503	0.9
261.22055	0.5
277.21716	0.5
290.62924	0.4
294.24304	1.4
323.51352	0.4
335.21960	100.0
335.25806	12.6
336.22266	4.5
336.25650	1.2
353.21890	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01865	0.4
55.05508	3.2
56.96545	1.4
57.03437	3.2
57.07051	0.6
60.87347	0.4
65.03935	0.7
66.86990	0.4
67.05503	12.6
69.07063	3.7
69.17511	4.3
71.17295	0.4
72.04531	0.6
72.50539	0.4
79.05488	7.4
81.07054	12.2
83.04968	0.6
83.08614	2.0
91.05478	4.0
93.07043	7.9
95.04971	1.2
95.08605	9.1
97.06500	0.9
97.10170	0.6
98.21564	1.0
104.54902	0.5
105.07027	2.5
107.08582	4.1
109.10146	4.9
117.07026	0.9
119.08542	2.3
121.10123	4.0
123.11730	1.3
131.08565	1.5
133.10121	1.7
135.08003	0.6
135.11694	2.5
145.10104	0.9
147.11690	1.1
149.13237	0.9
159.11736	0.8
161.13258	1.0
172.73218	0.6
173.13326	0.6
175.14896	0.6
187.14864	0.5
193.03812	0.8
193.10483	0.4
195.09993	1.4
221.11572	0.5
243.21120	0.9
261.22131	1.2
269.12338	0.5
313.13193	0.7
316.23605	0.5
335.21939	100.0
335.25797	13.5
336.22229	3.2
336.25723	1.0
353.21637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
50.71294	0.3
55.05509	0.7
57.03414	1.1
57.07045	0.4
57.91253	0.3
62.85892	0.3
67.05502	3.7
69.07059	0.8
71.01568	0.5
71.01895	0.6
79.05479	1.8
81.07055	2.8
91.05472	1.2
93.07043	1.7
95.08611	2.7
96.99867	0.3
103.13364	0.3
104.57213	0.3
105.06949	0.6
107.08594	0.7
109.10146	0.8
119.08585	0.4
121.10136	0.9
131.08560	0.7
133.10092	0.5
135.11702	0.7
145.10121	0.6
161.13232	0.4
173.13246	0.4
175.58221	0.3
187.44298	0.3
243.21155	0.7
253.39156	0.4
261.22299	0.5
335.21909	100.0
336.22275	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	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89240	0.6
53.03940	1.8
54.18588	0.7
55.01861	1.1
55.05514	16.2
56.96560	1.1
57.03435	15.6
57.07066	2.0
65.03931	3.0
67.05508	56.4
69.07073	14.8
69.77405	4.6
71.04996	1.4
71.08624	1.0
79.05495	28.9
79.41261	0.7
81.07059	46.8
83.04974	1.3
83.08626	5.4
85.06543	1.9
91.04921	1.0
91.05483	13.6
93.07045	29.8
95.04967	3.3
95.08610	39.2
97.06517	2.3
97.10176	2.3
98.98470	1.5
99.08067	1.7
105.07048	8.4
107.08601	12.6
109.06549	1.7
109.10165	13.1
111.08024	1.0
117.07032	2.5
119.08575	6.4
121.10149	13.6
123.08080	0.8
123.11716	3.6
131.08551	4.5
133.10129	5.7
135.11702	8.0
137.09601	1.1
137.13203	1.0
145.10104	3.6
147.11665	2.6
149.13251	2.6
159.11676	2.2
161.13234	2.4
163.14912	1.0
173.13220	1.8
175.14941	1.0
182.77884	0.7
187.14810	0.8
195.09952	1.3
195.11783	0.7
243.21068	1.0
246.54945	0.8
257.12439	1.4
261.22226	2.7
279.99316	0.8
335.21863	100.0
335.25827	61.4
336.22186	4.5
336.25882	2.4
353.21625	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	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
53.06021	0.8
53.12591	0.9
55.01859	2.3
55.05512	24.9
56.96307	1.5
56.96564	15.5
57.03176	1.4
57.03436	27.1
57.07054	4.2
65.03918	4.0
67.05504	95.5
69.07069	22.2
69.84208	4.5
71.04974	3.7
71.08617	1.6
71.95234	2.9
74.97565	1.7
79.05494	48.2
81.03395	2.3
81.07056	94.6
82.07400	1.0
83.04964	3.1
83.08180	0.9
83.08616	10.8
85.06514	2.0
87.44547	0.9
91.04927	1.1
91.05482	27.2
93.07045	56.4
93.85376	0.9
95.04971	6.7
95.08604	80.8
95.43567	1.0
97.06494	4.1
97.10143	4.3
98.98463	12.8
99.08093	2.3
105.07026	20.5
107.08588	32.2
109.06490	3.7
109.10154	30.5
110.97573	2.7
111.08047	2.5
113.09601	1.1
115.05468	1.3
117.07029	5.7
119.08585	17.9
121.10143	24.1
123.08022	3.0
123.11701	11.2
128.98615	5.4
129.09061	0.9
130.07790	1.9
131.00035	2.4
131.08556	13.8
133.10123	14.2
135.11710	16.6
137.09572	2.0
137.13235	3.1
140.98453	3.7
143.00012	1.8
143.08565	2.3
145.10118	11.3
146.99652	9.1
147.11655	8.3
149.09595	1.7
149.13252	9.8
151.11179	1.1
154.99977	1.5
155.03717	1.3
155.08525	1.2
156.09340	1.7
157.01611	1.5
157.10143	1.6
159.11707	6.9
161.01126	2.0
161.13246	5.5
163.11217	1.8
163.14825	5.0
165.00772	1.7
165.12714	1.1
167.00038	1.7
168.83163	1.2
169.01604	2.1
171.11656	2.3
173.02132	1.9
173.13275	9.7
173.54581	0.9
174.98949	2.7
175.14790	3.2
177.02095	1.0
181.01599	1.6
183.03093	1.9
183.11626	1.3
184.12396	1.1
185.01129	1.5
185.13284	1.3
187.14836	5.8
189.00491	3.0
189.16496	1.1
195.06870	1.0
197.13338	1.7
199.14896	1.6
201.16379	1.8
203.02081	1.4
205.15596	1.4
213.12787	1.3
229.03720	1.4
243.21046	6.0
261.03720	1.8
261.22110	8.3
273.57739	1.1
277.11078	2.0
279.23300	1.2
291.23376	1.2
317.17709	15.8
317.24667	4.1
333.17377	2.0
335.15146	3.8
335.18945	55.2
335.25745	100.0
336.19250	3.4
336.26089	5.1
341.34427	1.0
353.19919	17.7
354.20450	1.8
358.20453	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	335.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
55.05506	7.6
56.96560	4.1
57.03423	1.4
57.07076	2.0
57.86024	0.8
67.05508	15.2
67.64935	0.9
69.03429	4.6
69.07069	11.4
71.04991	3.4
71.49970	1.5
79.05493	12.0
80.34071	0.9
81.07056	39.5
83.04987	6.2
83.08612	3.3
84.08117	1.0
84.32544	0.8
85.02888	2.3
85.06550	6.5
88.52754	0.9
91.05470	13.7
92.73855	0.9
92.98090	1.0
93.07044	22.9
94.07391	1.0
95.04969	4.7
95.08607	17.4
97.02875	1.3
97.06526	10.0
97.10159	1.8
98.97560	0.9
98.98468	2.1
99.04457	3.6
99.08109	1.2
105.07029	17.2
106.06563	1.9
107.04974	1.7
107.08593	31.6
109.02895	1.5
109.06516	13.4
109.10157	62.7
111.08095	1.7
113.05995	1.1
115.00852	1.0
115.05417	1.1
115.07584	1.2
116.89333	0.9
117.07053	1.9
119.08562	8.0
120.07989	1.1
121.06501	2.5
121.10138	10.7
123.08050	5.2
123.11715	15.4
125.09664	2.0
127.07560	10.8
128.06247	0.9
129.07016	1.3
131.08597	3.3
132.15520	0.9
133.10127	46.2
135.04492	1.1
135.08061	0.9
135.11674	4.8
137.05972	0.8
137.09612	2.7
137.13243	2.4
139.11191	1.1
141.20329	0.9
143.08568	1.6
145.10129	3.8
147.11736	4.8
149.09639	2.8
149.13277	2.9
151.11182	100.0
152.11499	1.1
155.08482	1.2
157.10077	1.2
159.08014	1.2
159.11723	2.9
161.01276	1.4
161.09607	2.1
161.13202	1.9
163.03925	1.7
163.11189	1.4
165.09137	1.3
165.12769	3.3
167.10617	1.3
169.07625	5.8
169.12234	24.7
173.13300	1.6
175.11098	1.1
175.14862	2.5
177.12737	1.6
177.16382	4.1
177.60286	1.0
179.10669	23.7
181.12268	1.2
185.13379	1.6
187.14789	2.0
189.12862	1.0
191.14375	1.2
193.10327	1.1
193.12228	1.9
193.15839	1.4
195.11653	1.3
197.11728	2.1
197.13301	1.1
201.16299	1.1
203.17960	3.2
207.13960	1.5
215.12796	18.3
260.33887	0.9
261.18732	1.1
281.22641	1.1
285.09778	1.1
299.19989	1.0
299.23645	1.5
317.21350	1.1
317.24750	9.0
335.18832	1.6
335.22739	1.7
335.25851	32.8
336.25992	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	335.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
55.05506	7.6
56.96560	4.1
57.03423	1.4
57.07076	2.0
57.86024	0.8
67.05508	15.2
67.64935	0.9
69.03429	4.6
69.07069	11.4
71.04991	3.4
71.49970	1.5
79.05493	12.0
80.34071	0.9
81.07056	39.5
83.04987	6.2
83.08612	3.3
84.08117	1.0
84.32544	0.8
85.02888	2.3
85.06550	6.5
88.52754	0.9
91.05470	13.7
92.73855	0.9
92.98090	1.0
93.07044	22.9
94.07391	1.0
95.04969	4.7
95.08607	17.4
97.02875	1.3
97.06526	10.0
97.10159	1.8
98.97560	0.9
98.98468	2.1
99.04457	3.6
99.08109	1.2
105.07029	17.2
106.06563	1.9
107.04974	1.7
107.08593	31.6
109.02895	1.5
109.06516	13.4
109.10157	62.7
111.08095	1.7
113.05995	1.1
115.00852	1.0
115.05417	1.1
115.07584	1.2
116.89333	0.9
117.07053	1.9
119.08562	8.0
120.07989	1.1
121.06501	2.5
121.10138	10.7
123.08050	5.2
123.11715	15.4
125.09664	2.0
127.07560	10.8
128.06247	0.9
129.07016	1.3
131.08597	3.3
132.15520	0.9
133.10127	46.2
135.04492	1.1
135.08061	0.9
135.11674	4.8
137.05972	0.8
137.09612	2.7
137.13243	2.4
139.11191	1.1
141.20329	0.9
143.08568	1.6
145.10129	3.8
147.11736	4.8
149.09639	2.8
149.13277	2.9
151.11182	100.0
152.11499	1.1
155.08482	1.2
157.10077	1.2
159.08014	1.2
159.11723	2.9
161.01276	1.4
161.09607	2.1
161.13202	1.9
163.03925	1.7
163.11189	1.4
165.09137	1.3
165.12769	3.3
167.10617	1.3
169.07625	5.8
169.12234	24.7
173.13300	1.6
175.11098	1.1
175.14862	2.5
177.12737	1.6
177.16382	4.1
177.60286	1.0
179.10669	23.7
181.12268	1.2
185.13379	1.6
187.14789	2.0
189.12862	1.0
191.14375	1.2
193.10327	1.1
193.12228	1.9
193.15839	1.4
195.11653	1.3
197.11728	2.1
197.13301	1.1
201.16299	1.1
203.17960	3.2
207.13960	1.5
215.12796	18.3
260.33887	0.9
261.18732	1.1
281.22641	1.1
285.09778	1.1
299.19989	1.0
299.23645	1.5
317.21350	1.1
317.24750	9.0
335.18832	1.6
335.22739	1.7
335.25851	32.8
336.25992	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	336.1078
Annotation	Neoascorbigen
Peak:m/z	Relative Intensity
51.18398	0.7
51.82642	0.4
57.03438	4.1
60.04496	0.7
60.70141	0.6
69.07053	1.0
69.89876	1.1
69.90276	2.2
70.06600	1.4
71.01338	1.3
72.08150	1.2
73.52677	0.5
73.99448	0.4
82.70016	0.5
84.04502	1.4
84.08129	0.9
85.02908	48.7
88.03968	1.0
91.05456	1.1
95.04906	0.6
98.06052	0.8
98.20831	0.6
106.06548	0.5
113.02348	1.7
117.05703	0.6
118.06541	34.0
120.04453	1.4
120.08076	0.8
121.06537	0.9
124.07596	0.5
124.46893	0.6
126.05499	1.6
129.04472	1.3
130.04947	0.9
130.06503	1.4
131.03395	2.6
138.09146	1.0
141.27298	0.6
144.06549	3.6
146.06013	14.2
147.05519	1.0
148.07561	2.2
152.62030	0.6
157.74107	0.5
158.06155	0.6
174.05513	10.8
174.14944	0.7
176.07092	2.3
178.08586	0.5
185.07089	3.9
188.07080	0.6
190.07109	7.1
203.40463	0.6
204.08607	0.6
206.08128	36.1
213.06635	1.6
238.87621	0.5
248.09210	6.0
259.25500	0.6
264.98944	0.5
276.08704	2.2
293.06195	0.5
295.66946	0.5
304.08148	2.3
304.11395	0.7
313.73187	0.5
318.09494	0.6
336.10773	100.0
337.11108	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	336.1664
Annotation	Isopentenyladenosine
Peak:m/z	Relative Intensity
55.01869	1.0
57.03426	1.5
59.13707	0.3
61.02909	0.5
69.03427	0.6
69.07065	7.8
69.64471	1.8
71.01366	0.6
73.02917	0.5
79.05481	0.6
85.02905	1.3
93.07009	0.4
105.07007	0.4
107.08562	0.5
115.03869	0.6
119.03529	0.8
120.08099	0.5
131.04913	0.6
132.05692	1.0
136.06181	100.0
137.04587	0.7
137.09338	0.4
148.06178	34.1
204.12440	76.2
205.12772	1.2
280.10229	0.5
336.16635	26.8
337.07050	1.0
344.48972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60635	0.8
51.32411	1.0
54.41456	0.7
54.46373	0.8
55.01875	1.1
55.05511	9.5
56.05033	2.2
56.51356	0.8
56.96568	11.7
57.03444	4.0
57.07082	1.1
57.59764	0.8
60.04517	1.4
65.03925	1.0
67.05507	20.8
68.05832	3.7
69.07073	6.6
71.04985	1.6
71.08634	0.9
71.30190	1.2
79.05499	11.4
80.05833	2.3
81.07060	14.0
82.06587	2.4
82.07386	3.3
82.97522	0.8
83.04992	1.0
83.08614	4.6
91.05485	5.5
93.07047	10.9
94.06584	1.9
94.07368	2.6
95.04965	1.8
95.08607	12.3
96.08934	2.5
97.06523	1.8
97.10178	1.4
105.07032	3.6
106.07372	1.1
107.08598	5.9
108.08135	1.8
108.08881	1.4
109.10147	4.4
109.54062	1.0
110.06027	4.7
110.10492	1.5
111.08067	0.8
114.93046	0.9
116.52036	0.8
117.07022	1.3
119.08567	3.6
121.10139	3.6
122.10464	1.1
123.08021	1.0
123.11743	1.0
126.12807	1.5
131.08516	2.0
132.08916	1.3
133.10132	3.0
135.11707	2.5
137.13222	1.0
138.12782	1.2
139.11189	0.8
140.14320	1.2
145.10080	1.3
147.11671	2.5
152.14378	2.6
154.12233	1.4
157.01645	1.0
161.13281	1.7
163.11180	1.3
166.15909	1.2
175.02812	7.1
177.12738	1.0
178.50922	0.9
180.13783	1.5
182.15344	1.3
193.03854	5.4
194.15393	0.9
195.09912	1.2
196.10252	1.1
206.15433	1.4
208.13342	2.3
226.14487	1.2
231.09079	1.6
231.21115	1.2
236.16631	1.2
249.10106	1.9
259.20529	3.2
276.23218	4.7
277.21573	6.2
294.24261	17.3
295.12207	1.6
308.25815	3.0
313.13315	6.2
313.16443	1.3
318.24362	5.4
336.22195	100.0
336.25650	42.1
337.22830	6.3
354.21848	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	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	9.0
66.63315	1.3
71.06978	3.0
71.07324	1.6
73.02906	1.5
74.85406	1.5
81.03430	1.7
85.02917	4.3
97.02901	3.9
98.97588	7.5
101.00879	3.9
103.02433	3.1
113.00903	1.9
116.98634	5.0
117.24640	1.4
119.01922	14.6
121.03500	1.7
127.02464	2.6
128.98628	2.6
131.00232	1.9
131.01915	12.6
133.03471	3.7
134.99677	4.0
137.03006	2.3
139.02373	1.5
145.03464	22.8
146.99712	4.0
149.02896	3.3
151.04588	1.8
155.01892	7.1
157.03473	10.4
158.99702	2.4
161.01228	1.6
161.02924	2.4
163.04521	4.3
163.56975	1.3
165.00725	2.2
171.01337	2.3
173.02963	18.9
174.99129	1.8
175.04486	7.1
177.00748	2.9
183.01491	1.8
185.02974	3.9
189.00804	2.9
189.02496	5.1
191.03937	1.9
193.00197	3.1
201.02490	2.6
208.99672	2.5
217.01942	23.9
221.05055	2.3
229.01913	9.2
235.01375	1.6
235.03091	13.7
237.02811	3.0
247.03035	6.1
251.04468	1.7
253.04077	2.6
275.06183	2.3
319.04956	1.9
337.10934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71669	0.5
51.35247	0.6
51.99850	0.6
60.87239	0.6
61.30835	0.7
68.69483	0.6
69.64050	4.0
69.69299	0.6
77.14739	0.7
98.21510	1.3
98.97576	0.8
101.00890	2.1
103.02435	1.0
113.00874	0.7
119.01917	4.5
121.03479	0.8
127.02409	1.7
131.01903	5.0
133.03497	3.0
137.02998	0.9
139.02359	0.7
145.03455	10.2
149.02983	1.2
151.04570	1.3
155.01915	2.9
157.03467	5.4
159.05098	0.8
161.32936	0.7
163.04562	1.3
171.01443	1.5
173.02982	8.3
175.04491	4.3
185.02969	1.0
187.04521	1.7
189.02422	1.8
201.02457	0.9
211.04543	1.0
217.01949	9.3
217.05556	1.3
229.01926	4.9
235.03027	5.0
243.75746	0.7
247.03009	2.3
247.06786	0.8
277.07712	1.2
295.08801	2.5
337.10925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1103
Annotation	Firocoxib
Peak:m/z	Relative Intensity
52.03983	1.2
69.95071	7.0
98.21481	2.1
115.02443	1.4
119.01953	4.5
131.01912	3.7
133.03474	2.8
145.03447	7.5
151.04509	1.3
155.01994	2.8
157.03485	2.7
173.02975	4.9
175.04512	2.8
176.88184	1.3
185.02957	1.7
187.04532	1.5
201.06062	1.5
217.01926	8.3
229.01965	5.6
235.03044	4.7
238.43655	1.7
247.02991	2.7
247.06653	1.4
257.22849	1.4
277.07425	1.7
295.08795	2.4
320.76425	1.4
337.10938	100.0
338.11487	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	337.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.05498	1.3
56.14962	1.2
56.96560	4.0
57.03434	2.8
57.07062	1.5
61.02918	4.3
62.06083	3.0
67.05508	1.4
69.03433	8.1
69.07059	1.9
69.74819	7.9
70.06587	1.6
70.35161	1.2
71.04973	1.6
73.02899	2.1
81.03416	4.6
83.04987	2.9
85.02447	2.3
85.02910	24.5
86.09705	37.7
87.04443	1.2
89.00598	1.3
94.06564	2.3
95.01084	2.0
95.04970	1.5
96.01896	1.6
97.02905	8.8
98.20863	2.0
98.97575	7.0
99.04445	2.9
109.02850	2.3
110.97519	1.4
112.07590	2.0
112.08775	1.5
112.99135	1.8
113.02181	3.1
116.98618	5.1
118.06585	6.8
121.01670	1.6
127.03841	7.2
128.10727	2.1
128.98586	2.5
130.06522	14.3
131.00131	2.7
132.04448	16.0
134.99612	1.9
136.07549	1.7
139.03737	1.3
141.05246	1.8
144.08069	4.3
145.05005	3.3
146.05991	13.9
149.01257	2.0
157.07616	7.8
157.13362	1.8
158.06052	12.5
158.99579	1.5
161.01147	1.4
163.02666	1.8
163.03879	2.2
168.99988	1.5
172.07652	2.5
174.05501	22.5
175.02689	1.6
175.08687	19.1
175.10742	5.7
175.14438	24.4
176.09155	2.1
177.00661	2.2
185.04225	5.4
186.07945	1.4
187.08713	2.6
199.08633	3.3
200.07008	7.4
201.03716	12.4
202.04430	1.3
203.05363	2.8
217.09747	34.1
217.15489	2.1
219.01741	3.6
237.02847	5.4
245.06386	10.5
253.09813	1.4
259.07889	100.0
276.08524	3.1
289.08920	11.1
294.09900	1.6
295.10931	1.5
301.11685	2.5
319.12936	2.6
337.11203	23.8
337.14130	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	337.1745
Annotation	12-epi-Fischerindole U isothiocyanate
Peak:m/z	Relative Intensity
50.31971	0.6
55.05502	1.3
56.96555	1.4
65.31008	0.6
67.05492	2.5
69.03390	0.8
69.07044	2.4
69.44083	2.8
69.44521	2.7
74.21702	0.6
75.63970	0.6
79.05468	2.0
81.07050	2.8
81.16232	0.8
83.08604	1.1
91.05454	1.3
93.07048	0.9
95.08588	2.6
97.02882	0.8
97.06539	1.4
98.20782	1.3
105.07028	1.4
107.08578	1.3
109.06541	0.8
109.10159	1.1
119.08591	0.8
121.10211	0.8
123.11691	0.7
133.10069	0.8
145.10168	0.8
159.07983	0.9
229.07367	1.1
247.08540	0.9
275.20010	0.8
337.17496	100.0
338.17706	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	337.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	17.8
56.96531	1.5
57.03437	7.0
57.07049	2.9
59.44370	1.5
62.37754	1.2
65.63448	1.2
67.05502	17.7
68.87830	1.5
69.06745	1.5
69.07066	16.6
70.39064	1.2
70.67988	3.2
70.68358	3.3
79.05483	8.9
81.06608	2.3
81.07051	29.0
83.08617	10.5
85.06538	2.1
91.05476	7.4
93.07053	16.4
95.04929	2.5
95.08603	34.4
97.06491	5.9
97.10144	4.5
97.44282	1.4
99.08071	2.4
105.07027	17.5
107.08594	18.8
109.06516	1.8
109.10157	23.3
111.08058	4.8
111.11687	1.7
113.09600	1.7
117.06957	1.7
119.07832	2.0
119.08586	22.1
121.10138	16.7
123.08006	2.4
123.11707	10.4
125.09603	4.5
128.06224	3.4
129.06956	3.2
131.08551	13.4
133.10132	14.2
135.11693	12.1
137.13225	7.9
139.11185	1.9
141.07002	6.9
142.07765	7.4
143.08565	14.7
145.10109	12.5
147.11699	8.4
149.13202	5.2
149.84367	1.5
153.06946	2.9
154.07784	13.4
155.08559	39.2
156.09216	3.3
157.10115	19.8
159.08035	3.0
159.11708	7.2
161.13243	10.9
163.14801	2.3
165.06929	5.7
165.12730	2.4
167.08530	4.7
168.09286	4.6
169.10129	80.5
170.10599	2.3
171.11629	7.6
173.13222	3.8
175.14783	6.2
177.16299	5.9
178.07648	1.5
178.18777	1.3
179.08443	5.6
179.14272	6.4
180.09291	5.9
181.10101	12.1
182.10835	2.5
183.11688	33.7
185.09573	1.7
185.13245	7.0
187.14679	2.1
189.16371	16.6
192.09227	2.7
193.10089	7.7
194.10843	5.5
195.09955	1.8
195.11691	25.0
195.17442	3.6
197.13266	13.8
199.14766	2.3
199.74886	1.4
206.10814	4.3
207.11681	10.8
207.17361	3.7
208.12184	2.2
209.13251	32.5
211.14726	5.1
213.16223	2.3
215.13762	1.6
220.12343	4.6
221.13220	9.5
223.14780	9.0
225.12785	1.9
225.16223	3.5
232.28383	1.5
234.13959	2.4
235.14816	18.7
237.16258	2.6
239.17848	1.7
249.16397	11.4
251.17850	3.5
261.16342	2.0
263.17822	6.5
265.19531	2.5
267.17221	1.7
276.18695	2.9
279.21024	4.9
291.21097	21.7
319.24182	45.9
328.26425	1.6
337.17694	15.8
337.25092	100.0
338.25311	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	337.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84215	1.1
53.03939	2.8
55.01878	5.8
55.05512	23.0
56.96550	3.2
57.03408	3.8
57.07071	14.9
59.04994	2.9
65.03930	1.4
67.05505	39.1
68.05787	1.1
69.03428	6.5
69.06696	2.7
69.07068	52.3
70.49566	1.6
70.49897	2.9
71.05010	5.8
71.05317	1.4
71.08621	6.3
77.49184	1.2
79.05088	1.9
79.05493	28.1
81.03416	3.9
81.07056	100.0
82.07381	2.0
83.04987	11.8
83.08167	2.1
83.08620	26.3
85.02888	3.2
85.06545	14.6
85.10165	1.6
87.08126	1.4
90.50042	1.1
91.05473	16.0
93.07047	47.8
95.04964	14.1
95.08605	76.0
97.02922	1.1
97.06524	37.9
97.10168	9.7
99.04449	12.0
99.08101	2.0
103.05495	1.6
105.04547	1.4
105.07030	29.0
107.04967	2.8
107.08591	50.2
109.06511	18.2
109.10156	58.9
110.10463	1.4
111.04438	1.5
111.08071	8.1
111.11694	4.3
113.06045	1.0
116.50850	1.3
116.98571	1.7
117.05433	2.6
117.06992	3.4
119.08585	18.5
121.06488	3.3
121.10135	28.6
123.08070	9.6
123.11707	35.9
124.99478	1.1
125.05923	1.5
125.09642	3.2
125.13304	1.5
127.03855	1.7
127.07555	14.1
127.11185	1.9
128.06186	2.4
129.06992	2.4
131.04889	1.4
131.08568	6.4
133.06448	1.5
133.09148	1.9
133.10135	29.2
135.08049	12.9
135.11693	29.5
137.05962	1.6
137.09599	4.1
137.13261	20.6
139.03842	2.2
139.07516	2.7
139.11195	2.8
141.06944	1.4
141.09093	1.7
142.07782	1.2
143.08554	4.6
145.10072	9.5
147.04346	2.2
147.08047	2.3
147.11691	23.2
149.09625	7.1
149.13263	21.0
151.07506	2.3
151.11179	50.9
151.14796	4.5
152.11504	1.9
153.09108	4.5
153.12714	3.0
155.08624	1.5
157.10191	5.5
159.11708	7.1
161.09615	3.3
161.13222	7.4
163.03944	1.3
163.11212	6.0
163.14790	5.4
165.05573	1.7
165.06978	2.3
165.09106	1.8
165.12743	10.1
165.16394	3.2
167.08531	2.7
167.10651	3.1
167.14233	2.3
169.10036	1.3
169.12160	2.6
171.11639	4.5
173.13210	2.6
175.11201	6.0
175.14783	2.8
177.09007	1.2
177.12770	6.5
177.16385	6.8
178.07692	1.5
179.08461	1.3
179.10648	9.7
179.14339	1.7
179.17941	2.5
181.12265	6.2
185.13249	2.4
185.15387	1.3
187.07509	1.5
187.14780	2.6
189.05658	1.4
189.12808	5.6
189.16411	2.4
191.14215	1.6
191.17929	4.8
193.12225	14.6
195.08044	6.2
195.11613	1.2
195.13809	4.7
197.05960	3.0
199.03995	1.3
199.14861	2.3
201.16351	1.5
203.17996	3.4
205.06294	1.8
205.19516	6.3
207.08025	1.7
207.13805	11.7
209.09622	1.7
209.15411	2.3
209.18999	3.2
211.07498	6.5
213.05385	2.0
213.09244	1.9
213.16341	1.8
215.17943	1.8
219.21103	2.4
221.15355	2.4
221.18983	2.5
223.07614	1.3
223.16997	1.7
225.05501	2.8
225.09004	1.4
226.06232	3.0
227.17996	2.8
229.07463	3.4
229.14377	3.7
235.07481	1.4
235.17058	1.4
237.09070	3.2
237.18481	2.1
238.09636	1.6
239.06982	2.9
240.07719	5.9
241.08601	26.2
242.08879	1.7
247.08556	5.6
249.09001	1.7
249.18474	2.4
251.07039	1.8
256.09674	3.3
259.24152	2.4
261.09009	1.1
263.20050	4.7
265.12268	2.1
267.13708	2.1
273.25797	2.1
281.11798	1.6
283.24216	5.7
285.10062	2.4
291.13654	1.8
291.26697	2.1
292.15436	1.6
293.11758	5.4
294.12103	1.3
301.18036	1.9
301.21945	2.9
301.25275	9.2
309.14844	3.1
319.13113	2.8
319.19070	2.0
319.22855	2.7
319.26288	46.2
320.26569	3.3
337.10876	1.8
337.14301	48.2
337.27411	46.4
338.14569	5.8
338.27567	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	337.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84215	1.1
53.03939	2.8
55.01878	5.8
55.05512	23.0
56.96550	3.2
57.03408	3.8
57.07071	14.9
59.04994	2.9
65.03930	1.4
67.05505	39.1
68.05787	1.1
69.03428	6.5
69.06696	2.7
69.07068	52.3
70.49566	1.6
70.49897	2.9
71.05010	5.8
71.05317	1.4
71.08621	6.3
77.49184	1.2
79.05088	1.9
79.05493	28.1
81.03416	3.9
81.07056	100.0
82.07381	2.0
83.04987	11.8
83.08167	2.1
83.08620	26.3
85.02888	3.2
85.06545	14.6
85.10165	1.6
87.08126	1.4
90.50042	1.1
91.05473	16.0
93.07047	47.8
95.04964	14.1
95.08605	76.0
97.02922	1.1
97.06524	37.9
97.10168	9.7
99.04449	12.0
99.08101	2.0
103.05495	1.6
105.04547	1.4
105.07030	29.0
107.04967	2.8
107.08591	50.2
109.06511	18.2
109.10156	58.9
110.10463	1.4
111.04438	1.5
111.08071	8.1
111.11694	4.3
113.06045	1.0
116.50850	1.3
116.98571	1.7
117.05433	2.6
117.06992	3.4
119.08585	18.5
121.06488	3.3
121.10135	28.6
123.08070	9.6
123.11707	35.9
124.99478	1.1
125.05923	1.5
125.09642	3.2
125.13304	1.5
127.03855	1.7
127.07555	14.1
127.11185	1.9
128.06186	2.4
129.06992	2.4
131.04889	1.4
131.08568	6.4
133.06448	1.5
133.09148	1.9
133.10135	29.2
135.08049	12.9
135.11693	29.5
137.05962	1.6
137.09599	4.1
137.13261	20.6
139.03842	2.2
139.07516	2.7
139.11195	2.8
141.06944	1.4
141.09093	1.7
142.07782	1.2
143.08554	4.6
145.10072	9.5
147.04346	2.2
147.08047	2.3
147.11691	23.2
149.09625	7.1
149.13263	21.0
151.07506	2.3
151.11179	50.9
151.14796	4.5
152.11504	1.9
153.09108	4.5
153.12714	3.0
155.08624	1.5
157.10191	5.5
159.11708	7.1
161.09615	3.3
161.13222	7.4
163.03944	1.3
163.11212	6.0
163.14790	5.4
165.05573	1.7
165.06978	2.3
165.09106	1.8
165.12743	10.1
165.16394	3.2
167.08531	2.7
167.10651	3.1
167.14233	2.3
169.10036	1.3
169.12160	2.6
171.11639	4.5
173.13210	2.6
175.11201	6.0
175.14783	2.8
177.09007	1.2
177.12770	6.5
177.16385	6.8
178.07692	1.5
179.08461	1.3
179.10648	9.7
179.14339	1.7
179.17941	2.5
181.12265	6.2
185.13249	2.4
185.15387	1.3
187.07509	1.5
187.14780	2.6
189.05658	1.4
189.12808	5.6
189.16411	2.4
191.14215	1.6
191.17929	4.8
193.12225	14.6
195.08044	6.2
195.11613	1.2
195.13809	4.7
197.05960	3.0
199.03995	1.3
199.14861	2.3
201.16351	1.5
203.17996	3.4
205.06294	1.8
205.19516	6.3
207.08025	1.7
207.13805	11.7
209.09622	1.7
209.15411	2.3
209.18999	3.2
211.07498	6.5
213.05385	2.0
213.09244	1.9
213.16341	1.8
215.17943	1.8
219.21103	2.4
221.15355	2.4
221.18983	2.5
223.07614	1.3
223.16997	1.7
225.05501	2.8
225.09004	1.4
226.06232	3.0
227.17996	2.8
229.07463	3.4
229.14377	3.7
235.07481	1.4
235.17058	1.4
237.09070	3.2
237.18481	2.1
238.09636	1.6
239.06982	2.9
240.07719	5.9
241.08601	26.2
242.08879	1.7
247.08556	5.6
249.09001	1.7
249.18474	2.4
251.07039	1.8
256.09674	3.3
259.24152	2.4
261.09009	1.1
263.20050	4.7
265.12268	2.1
267.13708	2.1
273.25797	2.1
281.11798	1.6
283.24216	5.7
285.10062	2.4
291.13654	1.8
291.26697	2.1
292.15436	1.6
293.11758	5.4
294.12103	1.3
301.18036	1.9
301.21945	2.9
301.25275	9.2
309.14844	3.1
319.13113	2.8
319.19070	2.0
319.22855	2.7
319.26288	46.2
320.26569	3.3
337.10876	1.8
337.14301	48.2
337.27411	46.4
338.14569	5.8
338.27567	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	338.1231
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
51.02399	0.4
53.03938	0.7
57.03438	1.0
58.23891	0.4
61.02929	1.1
67.05499	0.5
69.03428	3.8
71.04995	0.7
71.49154	0.6
73.02918	1.0
79.05506	0.5
81.03419	2.9
82.92068	0.4
83.01364	0.4
84.08131	0.8
85.02905	7.1
85.76590	0.4
86.09703	1.0
87.04482	0.8
91.03943	0.5
91.05473	1.8
93.07060	0.4
95.04955	1.6
95.08613	0.7
97.02901	2.4
99.04466	0.8
103.05481	0.7
107.04958	3.3
108.29183	0.4
109.02901	3.2
109.06477	0.7
113.09669	0.7
118.06542	44.4
121.06519	0.7
122.06023	0.5
125.02369	1.0
127.03893	2.0
130.06529	60.8
131.06932	0.6
135.04404	1.0
136.07545	0.6
141.09148	0.5
148.07509	0.8
149.05983	1.4
151.03926	1.2
153.05368	0.6
158.06018	33.7
160.07613	0.8
164.07033	0.7
172.07570	0.5
176.07076	100.0
177.05473	2.4
177.07336	1.1
177.65692	0.4
195.06563	0.8
218.08112	1.0
274.10818	0.6
320.11081	0.9
321.09628	0.6
338.12335	28.8
339.11600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01867	0.4
57.03430	1.0
60.36514	0.4
61.02917	1.7
68.53652	0.4
69.03421	3.5
70.06577	0.7
70.73316	0.4
71.05010	0.8
71.48763	0.5
73.02913	0.5
79.05503	0.5
81.03416	2.0
84.08144	1.0
85.02908	12.1
86.09704	1.1
91.03935	0.9
91.05481	0.6
95.05000	0.6
97.02892	4.4
97.60645	0.4
99.04446	0.9
103.03928	0.6
103.05473	0.9
105.80207	0.4
109.02878	1.7
117.07047	0.5
119.04980	0.4
120.08090	0.6
127.03910	3.3
130.06528	100.0
131.06905	1.9
132.08115	0.5
135.04417	0.7
135.94820	0.4
142.06529	0.5
143.07390	1.0
144.08081	9.6
145.04968	1.3
146.05960	0.7
147.04459	0.6
148.07564	0.6
154.06493	0.5
156.08043	0.8
160.07622	0.7
168.08122	0.9
170.06053	1.7
172.07585	13.9
176.07069	49.0
177.07396	1.2
184.07486	0.5
188.07048	2.4
190.08731	0.5
196.07526	0.7
210.09149	0.6
214.08714	0.8
217.59433	0.5
218.08128	8.3
226.08667	0.5
229.27222	0.4
238.08656	1.0
242.08064	0.9
247.68410	0.4
256.09735	1.2
260.08966	0.5
272.09171	0.6
274.10779	1.9
284.09091	0.8
292.11716	0.7
302.10126	2.7
306.09338	0.6
320.11337	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	338.1233
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
53.03936	0.4
55.01867	0.4
57.03430	1.0
60.36514	0.4
61.02917	1.7
68.53652	0.4
69.03421	3.5
70.06577	0.7
70.73316	0.4
71.05010	0.8
71.48763	0.5
73.02913	0.5
79.05503	0.5
81.03416	2.0
84.08144	1.0
85.02908	12.1
86.09704	1.1
91.03935	0.9
91.05481	0.6
95.05000	0.6
97.02892	4.4
97.60645	0.4
99.04446	0.9
103.03928	0.6
103.05473	0.9
105.80207	0.4
109.02878	1.7
117.07047	0.5
119.04980	0.4
120.08090	0.6
127.03910	3.3
130.06528	100.0
131.06905	1.9
132.08115	0.5
135.04417	0.7
135.94820	0.4
142.06529	0.5
143.07390	1.0
144.08081	9.6
145.04968	1.3
146.05960	0.7
147.04459	0.6
148.07564	0.6
154.06493	0.5
156.08043	0.8
160.07622	0.7
168.08122	0.9
170.06053	1.7
172.07585	13.9
176.07069	49.0
177.07396	1.2
184.07486	0.5
188.07048	2.4
190.08731	0.5
196.07526	0.7
210.09149	0.6
214.08714	0.8
217.59433	0.5
218.08128	8.3
226.08667	0.5
229.27222	0.4
238.08656	1.0
242.08064	0.9
247.68410	0.4
256.09735	1.2
260.08966	0.5
272.09171	0.6
274.10779	1.9
284.09091	0.8
292.11716	0.7
302.10126	2.7
306.09338	0.6
320.11337	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	338.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.6
55.05499	7.1
56.96552	7.4
57.07062	3.9
62.06088	100.0
67.05501	17.9
69.07080	8.2
70.15399	3.9
71.08627	17.0
79.05496	14.0
81.03414	2.7
81.07055	18.4
83.04970	3.7
83.08604	4.2
85.06525	2.0
90.26906	1.7
91.05474	9.0
93.07031	15.2
95.04951	5.2
95.08619	14.4
97.06527	4.9
97.10195	1.9
98.06049	3.6
98.97571	4.8
99.08096	11.5
105.07015	9.1
107.08602	9.2
109.10168	7.3
111.04474	1.8
116.98611	5.6
117.06981	3.5
119.08577	5.5
121.10126	5.3
125.09597	2.3
131.08600	2.6
133.10132	3.9
134.99635	6.6
135.11667	4.3
145.10088	2.9
147.11613	3.0
149.13237	2.3
151.11191	4.6
159.11723	2.2
161.13275	2.7
163.11256	1.8
171.11557	1.6
172.95338	2.2
179.14293	7.2
196.13318	4.4
214.14388	5.3
222.18513	14.0
223.84966	1.9
240.19591	15.2
259.20572	2.6
274.97501	7.5
277.21683	6.3
282.86246	1.7
292.98578	6.5
320.25836	71.2
320.29587	3.5
321.24017	3.1
338.23355	19.1
338.27399	17.0
338.96295	2.2
339.27090	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	339.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
51.64365	0.4
55.01849	1.2
55.05500	0.5
56.96518	0.4
57.03419	0.6
61.02930	0.7
69.03415	0.9
69.68475	1.9
69.68876	0.8
70.06581	0.7
71.04968	0.5
79.05484	1.5
81.07060	0.8
83.01316	0.6
84.08134	0.4
85.02885	1.8
86.09627	0.4
89.03916	4.2
91.05467	1.4
95.01340	2.3
97.02888	0.7
97.06509	0.7
98.97552	0.5
103.05458	1.1
105.07038	0.5
107.04967	2.5
110.06013	0.6
111.04402	0.5
115.05440	0.5
117.03374	6.2
119.04925	0.9
120.08051	0.5
121.02855	1.5
122.06026	1.8
123.04446	2.2
124.07552	0.8
127.03964	0.6
129.03427	0.6
130.04979	0.9
131.04913	1.9
135.04413	21.3
136.07574	3.1
137.05998	0.6
139.03851	0.9
141.01842	1.6
145.01794	0.6
145.02850	7.3
147.04405	24.5
149.02336	3.1
149.05952	1.4
151.03870	0.8
152.07091	3.1
154.08690	0.6
157.02910	0.6
159.04404	1.3
161.05952	0.8
162.03036	0.5
163.03900	100.0
164.04227	2.0
164.07031	2.7
170.08133	0.6
173.05992	0.7
175.03894	3.1
176.07103	0.8
177.01875	4.0
177.03934	1.5
177.05460	2.5
177.07344	1.2
179.03430	1.9
181.04961	0.6
182.08121	0.5
183.04401	0.4
185.05977	0.5
187.03844	2.7
189.05426	1.9
191.03400	1.4
195.36220	0.4
201.05486	0.6
203.03389	96.8
204.03748	2.6
205.04953	3.8
213.05440	0.9
215.03391	4.2
217.04927	0.9
219.02858	1.5
229.04968	3.2
231.02888	12.8
231.06490	0.7
231.14922	3.2
232.03333	0.5
233.04475	4.2
240.20595	0.4
244.13379	1.0
246.05011	0.4
250.50172	0.4
259.06073	0.9
261.03943	5.7
261.15948	1.2
275.05508	0.8
279.04980	8.9
285.12607	0.4
291.04965	5.2
297.08282	0.5
301.57465	0.4
303.13342	1.8
321.14349	1.0
321.18066	1.0
339.07031	5.3
339.15588	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	339.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05081	0.9
56.96556	2.6
61.02924	0.9
67.05497	1.3
69.03426	2.7
69.07077	1.4
70.06608	1.4
71.48847	1.1
72.48656	0.9
79.05500	2.1
81.03445	1.3
84.08145	1.6
85.02919	3.9
85.49830	0.9
86.45690	1.1
91.05465	1.2
95.04935	1.5
97.02901	1.7
98.97577	1.3
106.28441	1.0
107.04953	1.9
114.55170	1.1
116.98656	2.1
119.01949	1.2
119.05009	1.0
120.08128	1.0
122.06091	1.0
127.03904	1.1
128.98586	1.9
135.04405	2.2
136.07614	4.4
137.05930	2.1
138.05505	1.5
147.04390	3.6
150.05602	1.6
152.07071	2.0
163.03925	7.0
164.07077	3.9
167.07080	1.2
182.08078	1.7
185.04234	1.4
195.05089	2.1
203.03410	7.4
207.92435	1.2
213.06166	1.2
237.02802	2.0
250.05328	1.3
275.16153	1.2
294.05817	1.2
303.13275	2.2
321.13940	1.7
339.10495	100.0
340.05069	1.0
357.10208	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	339.107
Annotation	4-Methylumbelliferyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03943	13.3
55.01863	5.6
55.05509	2.1
57.03436	5.9
62.34963	1.4
65.03937	2.4
67.05499	11.9
69.03427	41.1
69.26260	12.1
70.06560	1.5
71.01346	11.7
71.04985	6.8
73.02912	4.3
79.05494	32.2
81.03418	50.5
81.07053	9.9
82.36457	1.1
83.04990	2.7
84.08138	1.5
85.02443	2.3
85.02906	24.2
87.04446	2.8
91.05482	14.1
93.07053	13.0
95.01368	1.5
95.04967	59.8
95.08598	1.6
97.02891	25.0
97.06517	2.6
99.04443	10.7
101.02415	1.4
103.05466	19.3
104.11568	1.2
105.03404	2.6
105.04527	1.4
105.07022	7.5
107.01332	3.2
107.04954	99.8
109.02878	100.0
109.06509	21.6
111.04448	5.3
117.07027	1.9
119.04924	2.2
119.08554	1.5
121.06507	21.1
122.06039	1.5
123.04424	24.9
125.02351	28.5
125.05992	6.1
127.03917	36.8
127.04841	2.2
131.04907	9.4
131.08534	1.6
133.02864	4.2
133.06502	3.0
135.04411	69.0
136.07558	1.5
137.05962	4.2
138.05536	1.3
139.03947	2.2
145.04942	4.2
145.06462	1.8
147.04404	3.7
147.81689	1.4
149.02359	1.9
149.04805	2.6
149.05991	43.1
151.03906	62.4
153.05455	18.5
153.06610	1.6
154.41681	1.3
155.03424	3.0
159.04413	7.2
159.08070	1.5
161.06007	2.8
163.03888	1.6
164.07057	3.4
165.05550	1.7
167.03416	12.5
167.07033	7.5
177.05469	60.8
182.08102	1.5
185.04485	4.4
187.05969	2.7
189.05528	2.8
193.04977	3.6
195.06523	27.8
203.06963	1.4
261.12390	2.1
269.06555	5.2
269.10446	1.9
273.07681	2.6
295.08087	5.1
297.09741	1.8
303.13440	1.8
307.09338	1.8
321.09723	15.8
321.13824	2.1
339.10724	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	339.1078
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.24970	2.5
53.03953	9.7
54.53429	2.2
55.01862	4.2
55.05507	6.3
56.05025	2.3
56.96560	8.3
57.03434	4.8
57.07056	2.5
58.67018	2.4
61.02938	3.1
65.03941	4.6
67.05188	2.3
67.05496	14.2
69.03434	29.4
69.07078	7.9
70.06599	10.4
71.01369	2.3
71.05011	11.6
71.48369	3.3
72.08170	5.0
73.12751	2.2
79.05495	44.3
81.03423	45.0
81.07063	8.4
83.04985	6.1
84.08153	9.9
85.02908	11.6
86.09716	7.8
87.04481	2.9
91.05492	18.5
93.07071	9.2
95.01359	3.6
95.04976	26.3
95.08620	6.3
96.83858	2.5
97.02896	26.8
97.06535	4.2
97.10180	2.6
98.97598	8.0
99.04468	10.0
103.05474	9.1
105.07039	6.1
106.06506	2.8
106.27628	2.4
107.04964	78.8
107.08572	3.7
109.02901	30.9
109.06525	8.6
109.10194	3.1
110.06085	3.7
110.97652	2.9
111.04443	6.9
116.98664	6.4
117.07012	4.0
119.04953	18.5
120.08138	17.8
121.02856	2.7
121.06524	16.8
122.06019	5.9
123.04421	11.7
123.11687	2.7
124.07622	2.8
125.02383	9.0
127.03912	18.5
129.10257	3.0
130.06483	2.8
131.04980	8.1
132.08118	2.8
133.06454	2.5
134.05984	3.7
134.99654	6.2
135.04420	100.0
136.07610	9.8
137.05997	10.2
138.09174	5.7
139.03873	3.5
147.04419	75.0
148.07564	3.0
149.05989	18.7
150.05478	3.2
151.03876	11.7
153.05486	15.8
159.04489	3.8
159.08051	3.2
161.06047	3.2
163.03906	3.8
164.07117	13.9
165.05487	4.4
166.08670	6.5
167.07057	54.5
173.04509	3.9
177.00665	2.7
177.05453	27.4
177.06726	3.6
177.09203	2.7
179.03413	2.3
187.06076	12.4
189.05452	4.7
193.04892	3.3
195.06456	12.9
207.06548	3.9
231.14909	5.9
234.64551	2.8
237.02864	5.2
237.07748	3.6
247.07497	3.8
269.06641	8.2
279.09744	2.7
294.13309	3.7
307.07834	5.4
318.63470	2.7
321.10138	4.9
321.14508	9.8
321.17953	3.7
322.12933	3.3
328.20276	2.7
339.10724	40.8
339.14908	4.4
339.19064	12.2
358.07977	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	339.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24970	2.5
53.03953	9.7
54.53429	2.2
55.01862	4.2
55.05507	6.3
56.05025	2.3
56.96560	8.3
57.03434	4.8
57.07056	2.5
58.67018	2.4
61.02938	3.1
65.03941	4.6
67.05188	2.3
67.05496	14.2
69.03434	29.4
69.07078	7.9
70.06599	10.4
71.01369	2.3
71.05011	11.6
71.48369	3.3
72.08170	5.0
73.12751	2.2
79.05495	44.3
81.03423	45.0
81.07063	8.4
83.04985	6.1
84.08153	9.9
85.02908	11.6
86.09716	7.8
87.04481	2.9
91.05492	18.5
93.07071	9.2
95.01359	3.6
95.04976	26.3
95.08620	6.3
96.83858	2.5
97.02896	26.8
97.06535	4.2
97.10180	2.6
98.97598	8.0
99.04468	10.0
103.05474	9.1
105.07039	6.1
106.06506	2.8
106.27628	2.4
107.04964	78.8
107.08572	3.7
109.02901	30.9
109.06525	8.6
109.10194	3.1
110.06085	3.7
110.97652	2.9
111.04443	6.9
116.98664	6.4
117.07012	4.0
119.04953	18.5
120.08138	17.8
121.02856	2.7
121.06524	16.8
122.06019	5.9
123.04421	11.7
123.11687	2.7
124.07622	2.8
125.02383	9.0
127.03912	18.5
129.10257	3.0
130.06483	2.8
131.04980	8.1
132.08118	2.8
133.06454	2.5
134.05984	3.7
134.99654	6.2
135.04420	100.0
136.07610	9.8
137.05997	10.2
138.09174	5.7
139.03873	3.5
147.04419	75.0
148.07564	3.0
149.05989	18.7
150.05478	3.2
151.03876	11.7
153.05486	15.8
159.04489	3.8
159.08051	3.2
161.06047	3.2
163.03906	3.8
164.07117	13.9
165.05487	4.4
166.08670	6.5
167.07057	54.5
173.04509	3.9
177.00665	2.7
177.05453	27.4
177.06726	3.6
177.09203	2.7
179.03413	2.3
187.06076	12.4
189.05452	4.7
193.04892	3.3
195.06456	12.9
207.06548	3.9
231.14909	5.9
234.64551	2.8
237.02864	5.2
237.07748	3.6
247.07497	3.8
269.06641	8.2
279.09744	2.7
294.13309	3.7
307.07834	5.4
318.63470	2.7
321.10138	4.9
321.14508	9.8
321.17953	3.7
322.12933	3.3
328.20276	2.7
339.10724	40.8
339.14908	4.4
339.19064	12.2
358.07977	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	339.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
54.61914	0.2
55.01862	0.7
55.05484	0.3
57.03435	1.5
59.05003	0.5
61.02934	2.9
67.05507	0.5
69.03433	7.4
70.06590	0.5
70.71627	0.5
70.71960	0.4
71.01358	0.3
71.04974	1.2
73.02920	1.5
79.05489	0.6
81.03416	3.3
81.07056	0.3
83.79502	0.3
84.08163	0.3
85.02904	16.7
86.03247	0.3
87.04450	1.1
91.03941	1.0
91.05489	0.4
91.32307	0.3
95.04984	0.6
97.02888	5.8
98.06072	0.4
99.04451	1.0
107.04960	1.3
109.02872	2.6
116.07068	0.3
122.06034	2.6
124.07587	0.5
127.03910	3.8
129.04485	14.0
130.02884	2.9
132.04430	1.8
135.04416	0.3
136.07587	3.0
137.05870	0.4
138.09134	0.6
145.04961	2.6
146.09515	0.3
147.04399	0.3
149.06006	0.4
150.05484	1.2
154.08638	0.9
159.05537	3.4
160.56848	0.3
163.03903	1.1
164.07065	4.6
166.08688	0.5
167.07047	0.5
167.25682	0.3
177.06592	100.0
178.07045	1.9
182.08115	2.5
203.03426	1.0
222.03810	0.3
231.14899	0.3
238.07138	0.6
258.11087	0.4
285.12372	0.3
291.68170	0.4
303.13281	0.4
321.14719	0.4
339.11810	2.9
339.15582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01869	2.3
55.05507	1.3
55.29797	0.7
56.04753	0.6
57.03424	2.3
61.02915	3.4
67.05506	3.7
69.03436	8.9
69.07050	0.9
70.06586	4.0
71.01425	1.3
71.01781	0.7
71.04985	1.6
72.08154	1.3
73.02913	1.2
77.03896	0.7
79.05493	8.3
81.03423	6.5
81.07053	3.7
83.01345	0.6
84.04524	0.9
84.08135	2.0
85.02906	21.3
86.09705	2.0
87.04462	2.2
91.03946	1.1
91.05483	2.9
93.07059	1.8
93.77701	0.6
94.06571	1.2
95.01282	0.7
95.04960	2.7
95.08620	1.4
96.04484	2.3
97.02892	7.3
97.06489	0.7
97.48670	0.7
98.06038	2.9
99.04428	1.8
102.68056	0.7
103.05447	1.5
105.07047	1.3
107.04955	15.2
108.04474	2.3
108.08083	1.3
109.02876	5.5
109.06487	1.5
110.06035	2.6
111.04439	1.2
117.03354	0.6
117.06972	0.7
118.06525	1.3
120.08071	0.8
121.06495	1.4
122.06033	10.2
123.04414	1.1
124.07578	2.2
125.07117	1.2
127.03925	5.5
129.04491	11.4
129.10228	1.0
130.02890	2.3
130.06511	0.8
131.04927	0.7
131.06917	0.8
132.04498	1.2
133.02803	0.9
135.04431	6.6
136.07579	35.0
137.06015	1.4
138.05453	1.3
138.09129	2.5
140.07037	3.0
145.02876	0.8
145.04941	3.2
147.04416	2.1
149.05962	2.4
150.05508	4.6
151.03934	1.0
152.07068	1.6
153.05437	2.6
154.08612	2.9
159.05524	3.3
163.03922	5.9
164.07071	45.6
165.05452	1.1
166.08624	1.1
167.07051	9.3
168.06541	1.6
175.12297	0.9
176.07005	0.8
177.06601	100.0
178.06873	2.4
179.03357	1.0
180.06581	1.8
182.08136	30.1
203.03421	6.0
203.15503	0.8
229.13435	2.2
231.02917	1.0
231.14903	6.9
238.07150	3.8
243.11449	1.2
244.13408	0.9
255.14972	2.0
258.11261	1.1
261.15982	0.8
275.74609	0.7
279.04889	0.7
285.15988	2.1
286.10748	0.9
303.13388	2.0
304.11630	3.7
307.08151	0.7
321.14209	2.3
321.18088	1.8
322.12949	1.0
339.11539	6.2
339.15482	5.3
339.19281	1.9
340.13721	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	339.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53436	0.8
52.98574	0.9
53.03935	1.6
55.01872	0.8
56.96542	0.8
60.39130	0.8
67.05491	2.6
69.03403	1.0
70.06582	1.7
71.48318	1.5
72.08150	1.4
76.69720	0.8
77.21626	0.9
79.05493	5.6
81.03419	2.0
81.07059	9.2
82.06602	0.9
83.04984	0.9
84.08122	1.2
85.02913	2.0
91.05492	2.7
93.05790	1.6
93.07028	2.6
93.44048	0.8
94.06582	4.4
95.04975	2.1
95.08592	1.3
96.08133	3.7
97.02897	1.3
97.06514	2.0
98.97577	1.4
106.06557	1.7
107.04926	2.3
108.08117	2.9
109.02895	1.5
109.05264	1.4
109.06515	1.5
110.06045	10.4
120.04422	1.1
122.05191	1.8
122.06032	26.5
123.04425	0.9
123.06842	5.0
124.07590	17.8
126.05482	1.4
134.06017	5.6
135.04305	0.9
136.07578	91.2
137.07951	1.0
138.09128	1.8
140.07036	7.7
147.04428	2.8
148.07607	0.9
150.05489	8.6
152.07069	100.0
154.08687	1.9
158.08128	1.8
160.07503	0.9
163.03902	1.3
164.07066	96.8
165.05353	1.0
165.07330	1.2
166.08656	1.8
167.07062	1.6
168.06587	3.5
170.08119	16.2
172.11197	1.8
177.05516	1.1
178.08286	1.3
180.06563	1.6
182.08141	34.1
187.05582	0.8
198.07512	1.1
198.09196	1.0
200.10674	2.1
214.12282	1.5
223.54793	0.9
230.11792	0.9
232.13373	1.4
233.28781	0.8
242.11852	1.0
243.11305	1.2
258.11362	1.1
260.12903	1.8
261.69531	1.0
285.12323	2.4
286.10678	0.8
303.13382	29.4
321.10791	1.4
321.14395	12.4
321.17914	1.5
322.13235	1.2
339.10355	1.4
339.15533	3.6
340.13687	26.7
347.94574	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	339.1802
Annotation	2'-Hydroxyzearalanol
Peak:m/z	Relative Intensity
53.03824	0.5
53.04044	0.6
55.01725	1.5
55.02013	1.8
55.05353	2.8
55.05660	3.1
56.96421	1.2
56.96708	1.1
57.03301	1.0
57.03580	0.8
57.06948	0.5
67.02100	0.5
67.05328	5.2
67.05737	3.5
69.03262	1.4
69.06883	3.6
69.07306	2.0
69.65810	4.1
71.04852	0.9
77.74358	0.5
79.05301	3.1
79.05798	1.0
81.03262	1.3
81.03677	0.6
81.06861	6.8
81.07397	2.3
83.04784	2.1
83.08479	1.2
85.02770	1.0
85.03193	0.5
85.06374	1.2
85.06826	0.7
91.05280	4.2
91.05899	0.8
93.06837	5.9
93.07481	1.5
94.07267	0.6
95.04762	5.1
95.05420	1.2
95.08402	5.2
95.09054	1.2
97.02731	1.2
97.06322	4.8
97.06997	1.2
97.09971	3.6
97.10638	1.3
98.97438	0.8
99.07932	0.8
105.06793	2.7
105.07540	1.4
107.04740	3.8
107.08384	4.3
107.09149	0.8
109.02654	2.0
109.06312	5.5
109.07109	1.0
109.09943	4.4
111.04220	1.7
111.04903	0.8
111.07922	1.2
113.05786	4.1
113.06622	1.2
117.06878	1.0
119.04755	1.6
119.05631	0.7
119.08367	4.8
121.06278	4.5
121.09930	2.7
123.04237	1.5
123.05083	0.8
123.07889	1.0
123.11489	1.9
125.05833	0.9
125.09398	2.5
127.03734	0.8
128.06091	0.6
129.06813	1.0
131.04776	0.6
131.08344	1.9
131.09236	0.7
133.06296	0.9
133.09909	2.3
135.04277	1.2
135.07843	1.7
135.09052	0.5
135.11548	1.1
137.05757	9.3
137.09404	7.5
139.03754	0.6
139.07416	1.1
139.11000	0.7
143.08394	1.2
143.10472	1.0
145.06297	0.6
145.09920	3.7
147.04198	0.8
147.07834	1.5
147.11554	1.3
149.05762	2.4
149.09467	1.1
151.07445	0.7
153.05257	2.1
153.08919	0.7
154.06094	0.7
155.07030	7.9
155.08189	0.7
157.09909	0.9
159.07890	1.2
159.11482	1.7
161.05928	0.6
161.09439	1.3
161.13098	0.8
161.71880	0.6
163.03754	1.4
163.07541	6.8
163.10956	0.8
164.04411	0.6
165.05498	3.0
165.08987	1.4
165.12579	0.6
167.06886	1.2
169.09958	0.7
171.07950	0.7
171.11546	1.2
173.05864	0.5
173.09460	1.0
173.13043	0.7
175.07468	0.8
177.05434	3.6
177.12631	0.7
179.06935	0.9
181.08493	1.4
183.11465	0.6
187.11037	1.2
187.14662	1.0
189.11125	0.9
191.07024	18.4
192.07796	4.6
193.08440	1.5
195.06558	2.9
201.09091	0.8
201.16267	0.7
203.06949	1.1
203.14371	0.6
205.08453	2.6
209.08058	3.1
210.08841	3.8
219.08029	0.8
221.07947	0.8
223.09459	0.9
229.15715	1.7
243.09909	0.8
247.16922	0.9
252.08133	0.7
265.08340	0.6
275.16376	6.6
279.10052	0.7
285.14926	2.9
293.17554	5.9
297.14920	0.6
303.15909	46.8
304.16409	0.9
307.09576	1.1
311.12759	0.7
321.16965	100.0
322.17300	2.6
339.11929	1.9
339.18069	63.9
340.18359	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	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03948	5.3
55.01869	9.2
55.05511	26.5
55.19075	4.8
56.96558	14.3
57.03434	9.5
67.05499	31.2
69.03413	13.9
69.07076	28.4
69.53049	13.8
69.53471	16.6
70.99382	3.7
71.04987	6.5
76.58662	4.0
79.05486	29.1
81.03425	15.7
81.07059	46.7
83.04964	7.3
83.08611	20.3
85.02899	4.9
85.06551	8.1
90.90015	3.9
91.05499	25.5
93.07030	32.1
95.04961	10.4
95.08601	37.4
97.06519	25.0
97.10164	12.4
98.20803	9.4
98.97572	12.8
103.97182	4.1
105.07037	29.4
107.04970	8.2
107.08576	36.6
108.06348	4.3
109.02808	4.4
109.06489	16.8
109.10168	32.1
111.04498	3.8
111.08073	7.9
111.11744	7.5
116.98621	12.9
117.07040	9.5
119.08580	34.9
121.06471	5.2
121.10143	30.5
123.11724	10.5
125.09644	11.5
129.07008	10.7
131.08556	17.0
133.06473	4.3
133.10158	31.8
134.99649	11.6
135.04401	6.2
135.08069	9.7
135.11682	18.4
137.05981	6.2
137.09621	9.0
137.13257	5.1
141.07016	7.9
143.08540	14.1
145.10092	18.5
147.11653	14.6
149.09660	11.2
149.13287	9.8
151.03906	7.6
153.09056	5.7
155.08556	12.2
157.10123	16.1
159.08025	5.6
159.11684	15.7
161.13251	13.8
163.03906	5.5
169.10091	17.1
171.11674	9.2
173.09618	4.0
173.13306	7.7
175.11212	4.9
175.14825	5.8
177.05455	4.4
177.12619	6.4
181.89813	4.1
183.11635	12.1
185.09746	4.9
185.13243	12.7
187.14822	7.7
189.04164	5.1
197.13277	9.6
199.14774	5.3
201.12859	4.9
203.06618	4.1
209.13284	5.9
211.14809	11.7
213.16309	7.6
215.14230	9.1
225.09100	4.8
225.16336	7.2
227.17935	13.6
239.10815	10.0
239.17900	9.5
241.19490	10.4
243.10060	5.8
254.20239	7.3
255.21300	6.6
267.21130	21.4
272.73926	4.3
274.97424	9.1
285.22119	51.7
292.98553	8.3
295.17349	4.2
303.15662	7.6
303.23212	100.0
304.23495	6.4
307.09540	6.8
321.16922	16.1
321.24170	9.7
339.15631	15.1
339.23047	5.8
339.26840	6.3
340.22891	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	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03948	5.3
55.01869	9.2
55.05511	26.5
55.19075	4.8
56.96558	14.3
57.03434	9.5
67.05499	31.2
69.03413	13.9
69.07076	28.4
69.53049	13.8
69.53471	16.6
70.99382	3.7
71.04987	6.5
76.58662	4.0
79.05486	29.1
81.03425	15.7
81.07059	46.7
83.04964	7.3
83.08611	20.3
85.02899	4.9
85.06551	8.1
90.90015	3.9
91.05499	25.5
93.07030	32.1
95.04961	10.4
95.08601	37.4
97.06519	25.0
97.10164	12.4
98.20803	9.4
98.97572	12.8
103.97182	4.1
105.07037	29.4
107.04970	8.2
107.08576	36.6
108.06348	4.3
109.02808	4.4
109.06489	16.8
109.10168	32.1
111.04498	3.8
111.08073	7.9
111.11744	7.5
116.98621	12.9
117.07040	9.5
119.08580	34.9
121.06471	5.2
121.10143	30.5
123.11724	10.5
125.09644	11.5
129.07008	10.7
131.08556	17.0
133.06473	4.3
133.10158	31.8
134.99649	11.6
135.04401	6.2
135.08069	9.7
135.11682	18.4
137.05981	6.2
137.09621	9.0
137.13257	5.1
141.07016	7.9
143.08540	14.1
145.10092	18.5
147.11653	14.6
149.09660	11.2
149.13287	9.8
151.03906	7.6
153.09056	5.7
155.08556	12.2
157.10123	16.1
159.08025	5.6
159.11684	15.7
161.13251	13.8
163.03906	5.5
169.10091	17.1
171.11674	9.2
173.09618	4.0
173.13306	7.7
175.11212	4.9
175.14825	5.8
177.05455	4.4
177.12619	6.4
181.89813	4.1
183.11635	12.1
185.09746	4.9
185.13243	12.7
187.14822	7.7
189.04164	5.1
197.13277	9.6
199.14774	5.3
201.12859	4.9
203.06618	4.1
209.13284	5.9
211.14809	11.7
213.16309	7.6
215.14230	9.1
225.09100	4.8
225.16336	7.2
227.17935	13.6
239.10815	10.0
239.17900	9.5
241.19490	10.4
243.10060	5.8
254.20239	7.3
255.21300	6.6
267.21130	21.4
272.73926	4.3
274.97424	9.1
285.22119	51.7
292.98553	8.3
295.17349	4.2
303.15662	7.6
303.23212	100.0
304.23495	6.4
307.09540	6.8
321.16922	16.1
321.24170	9.7
339.15631	15.1
339.23047	5.8
339.26840	6.3
340.22891	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	339.2893
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
51.26708	2.1
53.03917	2.0
55.05515	36.5
57.03441	18.0
57.07074	16.5
58.69123	1.7
67.05505	19.8
69.07069	40.8
69.84466	11.5
70.07375	1.7
71.04981	2.6
71.08618	5.8
79.05486	10.0
81.07061	30.6
83.08615	31.2
85.10171	4.0
93.07050	13.9
95.08617	26.4
97.06520	5.3
97.10167	17.9
107.08582	10.4
107.39680	1.7
109.10163	10.6
111.08050	2.6
111.11694	4.0
111.84490	1.8
113.06001	2.1
120.43607	1.9
121.10134	18.3
123.11663	3.5
135.11697	9.9
137.13220	2.2
139.11128	2.0
149.13271	4.6
163.14833	2.7
177.16425	2.3
192.28040	1.9
247.24219	3.6
265.25348	6.9
292.98291	2.0
339.28961	100.0
340.29449	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	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76854	3.1
53.03941	5.0
55.01871	3.5
55.05505	8.5
56.05045	3.5
56.96567	15.8
57.03427	9.3
57.07061	9.2
58.06615	5.1
60.04526	42.0
61.02921	15.0
63.56309	3.0
67.05492	9.3
69.03437	41.2
69.80987	21.3
70.03777	3.6
70.06592	11.9
71.04988	12.3
73.02920	10.5
74.06069	4.4
75.04475	4.2
76.04033	15.7
79.05502	5.4
81.03428	9.2
82.06576	6.7
83.04977	15.3
84.04517	7.4
84.08153	6.9
85.02905	75.7
85.06522	8.9
86.06052	21.7
86.09684	3.2
87.04460	8.9
88.03989	3.5
91.03941	5.2
91.05467	8.0
96.08106	6.5
97.02892	36.8
97.06503	8.7
98.06036	5.3
98.20757	4.6
98.97591	64.4
99.04467	7.4
100.07626	35.7
101.06030	5.7
102.05520	4.2
107.04950	3.5
109.02888	9.5
110.05995	4.6
110.07171	7.4
110.97588	6.2
112.04182	3.9
112.07613	12.5
113.06059	4.2
116.98611	33.8
118.08633	8.9
119.04934	7.9
120.08096	5.0
122.06049	4.5
123.04447	5.1
124.07603	32.8
125.06005	3.2
127.03918	14.6
128.98593	8.4
130.08644	13.7
131.00218	3.6
134.08174	5.2
134.99677	14.7
136.06187	4.0
136.07584	26.1
137.05966	14.2
138.05493	3.7
142.08640	13.7
143.00191	5.1
143.01901	9.7
143.07115	5.7
143.24710	3.2
145.03267	2.9
145.04974	8.4
146.23891	3.7
146.99643	9.7
147.04398	14.4
153.10289	6.0
154.03850	6.3
154.21690	3.1
158.99681	19.6
160.09685	36.2
161.01311	4.8
161.02950	13.4
161.04637	5.4
161.08116	4.3
162.11264	9.8
163.03912	5.8
165.98993	3.5
166.16139	3.4
167.07013	4.4
176.09178	3.9
177.00716	26.9
178.04874	11.9
178.08618	6.4
178.09004	4.7
178.10750	100.0
179.03432	6.2
189.00754	4.9
192.04167	4.0
201.00810	3.6
203.03893	4.1
204.08644	3.7
208.04919	20.7
208.08308	6.5
212.07680	23.0
217.03596	5.2
217.05478	50.9
217.55734	6.1
219.01749	14.4
221.05035	4.8
222.09715	4.1
223.10683	5.6
223.14471	11.6
228.56282	4.1
230.08784	9.4
232.06129	4.8
235.02620	4.5
237.02811	27.0
241.03691	4.5
250.07686	4.3
253.03896	9.0
256.48734	3.4
269.36130	4.0
271.04840	6.9
277.03806	7.3
280.07153	11.9
287.09720	7.1
289.07620	12.9
289.57669	5.5
295.04874	14.3
313.05835	5.5
322.14703	5.1
322.21356	8.0
340.10242	36.3
340.16144	29.6
340.22379	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	340.2844
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
54.38797	0.6
55.01844	0.9
55.05248	0.7
55.05510	14.4
56.05030	1.7
57.03428	1.3
57.07072	4.6
59.59169	0.7
60.04525	30.6
67.05502	11.8
69.07068	21.4
70.08720	2.9
71.04978	1.5
71.08598	2.2
79.03566	0.7
79.05489	2.3
80.78386	0.7
81.06612	0.9
81.07056	14.1
83.04958	1.3
83.08615	17.5
85.10181	1.5
91.05476	4.9
93.07046	4.8
95.04951	0.8
95.08612	14.5
97.06512	2.3
97.10162	10.4
98.21478	0.8
100.11249	1.1
105.07027	3.9
107.08601	3.7
109.06509	0.9
109.10144	7.9
111.08092	1.3
111.11702	2.6
118.97473	0.7
119.08570	4.6
119.09266	0.7
121.10104	3.9
123.11722	3.3
125.09639	1.0
125.13251	1.1
128.14351	1.6
132.56427	0.6
133.10156	4.5
135.11684	1.2
137.09605	3.8
137.13278	1.5
138.30655	0.6
139.11209	0.9
142.15916	10.1
147.11676	3.1
149.13255	1.4
151.11176	0.9
154.12282	4.5
161.13234	2.1
163.14764	1.0
172.13399	2.7
175.14864	1.4
179.14319	1.1
182.19070	1.2
184.16946	1.0
189.16432	0.8
193.04947	0.9
245.22670	3.2
262.25443	0.7
263.23642	5.1
264.14047	0.7
280.26315	12.1
291.73660	0.7
298.27399	13.0
322.27356	4.5
339.77753	0.8
340.28467	100.0
341.29077	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	340.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.05514	21.5
56.05033	1.9
57.03428	1.7
57.07069	4.3
60.04246	1.7
60.04528	29.4
65.92966	0.9
67.05499	9.9
69.06693	1.5
69.07070	29.5
69.44702	7.3
70.07377	1.8
71.04996	0.9
71.08627	2.8
79.05484	3.5
81.06621	1.4
81.07056	18.7
82.07337	1.0
83.04963	1.8
83.08166	1.8
83.08621	19.8
91.05462	3.3
93.07048	5.3
95.04924	1.1
95.08621	17.3
97.06522	3.1
97.10166	12.1
100.11250	4.0
103.01631	0.8
105.07030	3.6
107.08568	4.7
109.10164	9.6
111.11700	3.8
112.37048	1.1
114.12808	10.5
119.08594	3.4
121.10169	5.0
123.08159	1.0
123.11703	3.7
125.09650	1.4
133.10123	4.8
135.11699	2.8
147.11673	2.6
155.28331	1.0
161.13297	1.9
163.14806	2.1
165.12677	1.4
175.14851	2.0
182.15411	8.7
189.16493	1.2
200.16473	3.8
245.22578	1.8
263.23730	5.6
280.26328	14.4
298.27426	14.8
322.27399	3.7
340.28491	100.0
341.28781	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	340.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
55.05508	11.4
56.96570	1.3
57.07066	1.7
62.06088	100.0
67.05504	17.6
69.07066	10.8
69.94547	4.4
71.05000	1.4
71.08594	1.6
79.05503	10.3
81.07055	15.5
82.07330	1.0
83.04994	2.4
83.08623	5.1
91.05490	4.3
93.07051	8.6
95.04966	1.3
95.08613	10.0
97.06530	2.9
97.10168	2.6
99.08106	2.0
105.07045	2.9
107.08609	5.3
109.10139	7.8
116.98615	1.3
119.08587	2.0
120.46304	1.2
121.10149	3.5
123.11689	1.3
124.11225	3.3
131.08568	1.8
133.10117	1.4
134.99680	1.3
135.07994	1.2
135.11687	5.0
137.13286	1.4
145.10187	1.2
147.11659	1.3
149.09541	1.5
153.12704	1.4
163.14729	1.4
165.54036	1.2
172.95184	1.4
173.13243	1.3
196.13351	12.1
214.14348	13.2
233.11922	1.0
261.22147	2.2
279.23215	3.5
290.18344	2.5
293.95514	1.1
308.19330	1.4
310.69592	1.0
315.18091	1.4
317.19507	2.1
322.27411	34.1
323.25751	6.0
335.20602	1.9
340.28436	27.4
341.20886	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0872
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03938	0.5
55.01872	0.5
55.29165	0.3
56.96560	0.6
57.03428	0.7
61.02920	0.8
69.03434	1.8
71.01328	0.5
71.04987	0.6
71.48460	0.6
73.02920	0.7
77.93970	0.3
79.05495	0.5
81.03397	1.2
84.08132	1.4
85.02906	4.1
87.04485	0.5
89.03915	0.7
91.05800	1.0
95.04975	0.8
97.02901	2.3
98.97591	0.7
99.04461	0.4
104.04973	0.5
105.03426	0.4
109.02864	0.6
111.05615	0.3
115.05492	0.3
116.98617	0.8
117.03376	0.6
123.04433	10.3
127.03914	0.7
131.04924	0.4
133.02856	9.7
134.05983	0.7
134.99654	0.4
135.04410	2.5
137.05939	1.0
139.03897	0.3
140.61870	0.3
147.05534	13.5
149.75253	0.3
151.03931	4.1
158.99585	0.4
161.03458	0.3
161.07133	1.2
163.03911	2.7
163.04999	0.5
163.08723	0.4
165.05493	0.7
177.00653	0.7
179.03394	100.0
180.03702	1.2
181.04968	0.4
184.04955	0.4
185.13739	0.3
187.07533	0.5
192.62337	0.4
219.01744	0.4
300.01096	0.4
323.05466	0.3
341.08652	0.8
341.12476	1.1
341.17191	0.8
341.22226	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	341.0867
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.02383	0.2
53.03946	0.2
57.03418	0.3
61.02914	0.3
65.35810	0.2
67.05516	0.3
68.99805	0.2
69.03431	1.0
70.06584	0.2
70.78468	0.5
72.08147	0.2
73.02915	0.3
77.03950	0.4
79.05481	0.3
81.03395	0.4
85.02903	2.0
85.18160	0.2
86.09687	0.4
89.03915	0.7
95.04942	0.3
97.02894	1.0
105.03403	0.5
107.04962	0.5
109.02873	0.4
117.03366	0.5
123.04432	10.6
127.03907	0.3
129.07028	0.2
131.43114	0.2
133.02852	8.8
134.03600	0.3
135.04411	2.4
137.05943	0.6
143.53957	0.2
145.02856	0.4
145.04950	0.3
146.10313	0.2
151.03900	4.3
163.03894	3.1
171.11275	0.2
179.03391	100.0
179.17636	0.2
180.03741	1.1
185.39590	0.2
187.07559	0.3
221.06038	0.3
249.05428	0.3
253.05061	0.2
267.06659	0.4
269.04404	0.2
277.05237	0.2
295.05853	0.2
323.12976	0.3
323.52209	0.2
339.32730	0.2
341.08578	0.7
341.12473	0.3
346.44257	0.2
354.89133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	AESCULIN
Peak:m/z	Relative Intensity
50.20242	0.3
53.03953	0.4
55.01869	0.9
57.03431	0.5
59.99112	0.3
61.02897	0.3
65.03930	0.4
67.05492	0.9
69.03411	1.1
70.06578	0.9
70.21362	1.1
71.04981	0.4
72.08149	1.4
74.24860	0.3
76.40322	0.3
77.03911	0.7
79.05488	1.3
81.03436	1.4
81.07058	0.4
83.04954	0.5
84.08150	1.5
85.02905	2.5
86.09711	1.0
89.03926	3.3
91.05463	1.9
95.04974	1.3
95.08594	0.3
97.02897	1.7
100.07604	0.5
103.05450	0.4
105.03384	2.6
105.07032	0.6
106.99622	0.3
107.04951	3.0
109.02909	0.7
109.06470	0.3
115.05425	0.4
117.03371	3.0
119.04935	1.4
120.08100	0.9
121.02776	0.3
122.03555	0.3
123.04436	5.4
127.03930	0.6
129.10234	0.6
131.04922	1.3
133.02863	15.7
134.03635	1.3
134.82100	0.3
135.04417	6.6
136.07593	0.7
137.05986	2.0
138.09142	0.9
139.03912	0.6
139.08690	0.5
145.02849	2.0
145.06432	0.3
147.04404	0.7
147.05444	0.7
149.02344	0.6
149.05936	0.3
151.03903	2.3
151.07561	0.5
161.02390	1.8
161.05911	0.4
162.03110	0.4
163.03909	35.5
165.05687	0.4
165.07066	1.2
169.06427	0.5
171.04358	0.3
177.01895	0.5
177.05452	0.3
177.06949	0.4
177.10252	0.4
179.03395	100.0
180.03714	1.2
187.07487	0.6
193.06528	0.6
196.34192	0.3
197.05969	0.9
202.07654	0.4
205.06497	0.3
209.06012	0.3
211.07445	0.4
213.05585	0.3
217.08490	0.4
221.05824	1.8
225.05588	0.6
231.07750	0.3
235.07549	0.3
239.07053	0.8
241.05058	0.5
249.05452	1.1
250.06143	0.4
251.03394	0.5
251.07014	0.3
253.04976	0.8
255.06795	0.4
267.06494	1.2
269.04407	1.0
275.05444	0.6
277.04996	0.5
279.10281	0.3
291.09976	0.5
295.06079	1.6
323.05469	1.2
341.06619	4.0
341.14218	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	341.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37125	1.1
53.03939	3.3
54.08834	1.0
54.10940	0.9
55.01865	2.6
65.03931	1.5
68.99796	2.1
69.03447	2.1
70.06597	1.0
72.08153	1.3
74.22392	1.0
77.03899	1.8
78.04710	1.4
79.05492	10.0
81.03411	3.8
81.07041	1.9
83.04394	0.9
84.04523	2.0
84.08128	1.9
85.02881	1.3
86.09723	2.2
89.03905	4.2
91.05483	29.0
92.02634	1.4
93.07050	16.2
95.04974	12.3
97.02881	1.5
99.04484	1.3
103.05466	16.3
105.03403	3.3
105.04506	2.5
105.07021	2.4
107.04960	19.2
108.04461	2.3
109.06492	2.4
111.04423	1.5
117.03386	2.8
119.04960	6.4
119.08573	1.2
120.02109	6.2
121.06509	55.3
122.03652	2.0
123.04394	2.0
131.04935	5.7
131.05942	1.8
133.02835	12.2
134.03648	6.9
135.04417	63.1
137.05991	12.0
145.02841	1.5
146.06029	1.1
147.04387	2.3
148.33441	1.1
149.02327	1.0
149.05981	87.4
150.03130	9.0
150.06769	100.0
151.03902	1.9
151.07430	1.3
161.02362	5.5
161.05928	2.1
163.03905	45.6
163.07541	4.2
165.05507	3.1
165.07036	1.4
167.07098	1.4
167.10616	1.1
168.06590	2.3
174.05560	2.0
175.03931	1.6
175.07516	2.4
177.05490	2.5
178.02618	21.1
179.03348	2.1
187.07578	2.7
191.03384	19.4
192.04160	1.2
193.04968	96.5
205.06416	1.3
207.06451	2.3
211.07646	1.2
217.08540	1.7
221.06029	1.4
235.07497	1.2
241.04956	1.1
248.08255	1.4
249.05443	1.2
249.09062	1.0
253.04927	2.0
263.06799	1.2
270.08954	1.8
276.07681	1.8
279.10233	1.7
291.10156	3.8
295.06076	2.1
308.10428	1.2
309.07474	3.7
309.10989	1.3
313.10876	1.0
323.12497	1.1
341.06491	2.2
341.10162	4.2
341.15381	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	341.1383
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
51.02372	0.6
55.01864	1.0
55.05490	0.7
64.13600	0.5
65.03922	0.5
65.84584	0.5
67.05476	0.7
69.03428	1.6
69.07024	0.7
70.03104	0.5
70.98650	0.8
70.98977	0.7
71.04979	1.2
71.21308	0.6
73.02911	0.6
77.71963	0.7
78.52663	0.6
79.05486	2.5
81.03413	0.6
81.07039	2.5
85.02905	0.9
86.09724	0.6
91.05472	5.7
93.07051	0.7
94.04187	3.5
95.04945	1.2
95.08646	0.8
97.02884	1.0
97.06538	1.3
103.05460	3.0
104.06256	0.6
105.07023	6.4
107.04929	2.9
107.08572	1.3
108.05732	0.6
109.06516	2.2
115.05456	4.1
117.07011	2.1
119.04931	1.8
119.08585	2.7
121.06512	2.9
122.03641	9.1
123.08094	0.7
123.11671	0.7
128.06204	1.8
129.07011	3.4
129.82181	0.6
130.04062	0.8
131.04918	5.6
131.08572	0.7
132.05714	3.1
133.02872	0.6
133.06491	10.2
133.10078	0.6
135.04428	1.7
135.08014	0.6
135.11624	0.6
136.05185	2.2
137.05972	100.0
138.06290	1.4
141.06989	0.8
143.04930	0.7
144.05711	1.2
145.06477	3.1
146.03671	0.6
146.07228	2.2
147.04407	2.8
147.08043	6.3
149.05991	3.7
149.09584	0.7
150.06779	1.2
151.07541	16.6
153.05452	0.9
157.06491	1.6
157.10115	0.6
159.04323	1.0
159.08029	2.2
160.05145	2.7
161.05981	9.6
162.05498	0.6
162.06728	3.0
163.03966	0.6
163.07549	3.5
165.05484	0.9
165.06927	0.6
165.09074	3.1
167.07051	1.1
171.08075	1.1
172.05209	1.2
173.13084	0.6
174.06790	2.2
175.07538	31.3
176.07939	0.9
177.05461	1.9
177.09102	8.4
179.07066	1.6
181.06532	0.7
185.05966	1.0
187.03954	3.3
187.07521	9.4
189.07112	0.7
189.09077	4.2
190.07771	2.6
191.08551	6.0
191.10278	0.7
191.14322	1.4
195.08163	0.8
199.07535	5.4
201.09178	0.8
202.07755	3.0
203.08626	6.6
203.10551	1.3
205.06421	1.0
207.08098	1.2
209.15352	1.0
211.07565	2.3
217.08623	2.6
218.07228	1.2
219.08064	9.9
220.08813	2.8
221.09595	1.0
227.06920	1.4
231.08041	6.7
232.08807	2.0
233.09589	0.8
235.07581	1.6
236.08275	1.6
237.08994	0.8
239.07030	2.0
240.07808	2.2
247.07553	4.3
248.08240	6.4
249.09135	0.8
251.10675	9.6
255.06418	1.8
256.07269	1.0
258.06830	0.6
259.07602	4.6
260.08313	1.2
261.08975	1.4
262.06223	0.6
263.07104	0.8
263.07962	0.8
263.10669	6.1
264.07803	1.1
265.08633	2.0
270.08908	3.7
271.09598	5.0
276.07745	2.6
277.08502	2.2
277.11588	0.6
279.10107	7.4
280.10977	1.1
281.07813	1.0
281.11716	1.2
283.09851	1.4
291.07141	0.4
291.10147	11.6
292.10742	3.2
293.08112	1.5
295.09927	0.9
295.13278	1.0
296.10327	2.2
308.10379	1.1
309.11172	1.5
309.14862	2.1
311.12720	7.7
323.09244	0.9
323.12717	7.3
326.15128	2.3
341.10129	1.3
341.13910	7.0
341.17572	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03934	1.1
55.01856	4.8
56.82340	1.1
65.03951	2.6
67.05502	2.8
68.99778	1.2
69.03421	3.3
70.06583	5.4
71.04986	2.3
75.54042	1.2
79.05476	4.7
79.83022	1.1
81.03409	4.3
81.07038	1.8
83.04988	1.3
83.06095	2.8
84.08134	4.2
85.02896	4.9
86.09693	4.7
87.50758	1.3
89.03923	7.8
91.05458	7.7
94.04192	2.5
95.04980	5.7
95.08597	1.8
97.02900	2.5
97.06498	1.5
103.05489	2.9
103.24159	1.2
105.03377	2.2
105.07030	2.8
107.04947	7.4
108.04469	1.9
108.08109	1.5
109.04799	1.8
109.06512	3.7
111.04440	2.0
115.05432	2.1
117.03397	6.6
117.04070	1.2
119.04943	5.0
120.08073	2.2
121.06527	4.5
121.10149	1.8
122.03634	9.6
122.06018	2.6
123.04430	4.9
124.07581	1.4
127.03855	1.9
128.06239	3.2
129.06984	9.8
131.04913	4.9
131.08540	1.9
133.02831	14.5
133.10072	1.8
134.03609	3.9
135.04416	15.5
136.07539	2.7
137.05975	100.0
138.06303	1.9
138.09128	3.7
139.03940	1.5
139.05424	1.7
141.06917	1.3
143.08583	1.8
144.05695	3.9
145.02861	5.8
145.06453	2.2
146.03603	1.8
146.05991	1.2
147.04381	4.6
147.05463	1.5
149.02386	1.4
149.05980	3.5
151.03911	5.8
151.07538	5.1
153.05426	3.7
153.07030	1.3
157.06470	9.5
158.07269	2.1
159.04404	2.5
159.08073	2.2
160.05229	2.4
161.02318	2.8
161.05957	3.2
161.09645	3.2
162.09090	1.5
163.03899	60.7
163.07568	3.0
164.04298	2.5
164.07051	1.7
165.05525	2.1
165.07034	3.8
167.07042	2.7
167.10675	3.0
169.06429	2.1
171.08083	2.1
172.05173	7.3
174.06790	14.1
175.07533	11.4
177.01793	1.6
177.05487	4.4
177.06874	1.7
177.09142	1.7
179.03401	27.2
179.06848	2.5
182.12903	2.0
185.06050	1.4
187.07526	38.6
189.07370	2.5
189.09070	16.9
190.07785	1.9
191.07033	1.6
191.08566	4.4
195.08043	1.4
196.05132	1.7
197.05940	4.0
199.07578	5.4
202.07793	3.3
203.08574	10.3
205.06480	4.4
207.08163	1.4
208.08766	2.0
209.04373	1.8
211.07397	5.9
212.04637	2.2
213.05475	1.8
217.08575	23.4
218.07253	2.5
219.08031	11.3
220.08807	6.4
221.06027	6.0
222.06831	1.5
223.04099	1.5
225.05530	2.6
227.07019	7.2
231.08061	14.1
232.08821	2.2
233.05954	2.0
233.09711	1.8
235.07603	3.7
236.08261	4.0
237.09056	3.4
239.07108	5.8
240.07874	2.8
247.07477	8.3
248.08284	16.3
249.05449	3.2
249.09090	2.9
250.06256	2.1
251.07014	2.2
251.10722	6.6
253.04968	2.9
253.08600	3.5
255.06442	6.2
259.07587	7.1
260.08356	2.1
261.05685	1.3
261.09094	4.1
263.06866	1.2
263.08035	1.6
263.10703	15.2
264.07742	4.3
265.08569	3.7
267.06494	5.0
270.08942	11.7
271.09579	11.2
276.07794	7.0
277.05322	2.5
277.08533	6.0
279.10123	15.7
280.10788	2.8
281.08115	2.6
281.11502	2.2
283.09680	3.6
291.10123	36.0
291.12616	1.3
292.10870	3.5
293.08200	6.1
293.11258	1.4
295.06012	6.3
295.09375	2.0
296.10468	9.7
297.11053	2.2
305.11578	2.2
308.10449	3.7
309.11215	2.3
311.12778	19.3
313.14215	1.5
323.05554	2.7
323.12772	38.0
341.06912	9.5
341.13913	25.5
342.14230	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	341.175
Annotation	(R)-Isomillinol B
Peak:m/z	Relative Intensity
53.03935	0.9
55.01871	1.3
55.05497	2.6
56.96553	1.5
62.19002	0.7
62.61654	0.6
65.03925	1.7
66.04688	0.8
67.05500	2.4
67.65131	0.6
69.03407	1.2
69.07050	1.9
70.78935	1.9
71.04977	0.7
72.08155	0.8
79.05496	5.4
81.03442	0.8
81.07069	4.0
81.07462	0.7
82.10057	0.6
83.04962	0.8
85.02877	0.7
86.09707	1.4
91.05476	9.5
93.07040	2.7
93.54710	0.6
94.04182	2.4
95.04958	3.7
95.08609	2.5
97.06519	2.3
100.11256	2.4
103.05476	9.1
105.07037	12.3
107.04955	9.7
107.08556	1.1
108.05735	2.9
109.02889	0.8
109.06523	4.0
109.10151	1.9
115.05448	2.7
116.06193	0.9
117.07013	4.5
119.04953	2.1
119.08565	2.5
121.06506	14.1
121.10136	1.0
122.03645	7.7
123.04404	1.0
123.08025	1.1
123.11663	0.9
127.03950	0.9
128.06226	2.3
129.06992	3.0
131.04930	15.2
131.08549	1.3
133.02898	0.7
133.06494	44.2
133.10109	1.3
134.06741	0.7
135.04408	3.5
135.08067	5.3
135.11659	1.3
136.05196	10.8
137.05978	100.0
138.06340	2.1
139.03906	0.7
139.07538	0.8
141.06999	1.1
143.04959	1.3
143.08562	1.3
144.05696	0.8
145.06490	5.4
146.03581	1.1
146.07280	10.3
147.04442	3.1
147.08052	15.6
147.11729	0.7
149.05977	3.4
150.06773	5.8
151.07547	88.6
152.06270	0.7
152.07883	1.5
155.03416	1.1
157.06511	4.0
158.07195	0.9
159.04503	0.7
159.08066	2.7
160.05205	0.9
160.08879	1.3
161.06012	3.8
162.06764	5.8
163.03992	1.4
163.07550	20.7
164.08287	0.8
165.05495	0.9
165.06972	1.2
165.09128	13.1
167.07060	2.0
169.04945	4.4
170.05754	2.5
171.08084	2.5
173.05945	1.5
174.06793	2.4
175.07552	6.6
176.08369	2.0
177.09114	42.1
178.09506	1.2
179.10742	0.9
181.04977	0.7
182.15398	1.1
186.62556	0.6
187.03960	1.5
187.07541	4.4
188.08267	1.4
189.09100	8.4
190.10040	0.8
191.10646	3.0
200.18288	0.7
201.09119	1.9
202.07942	0.8
202.09738	1.2
203.08894	0.9
203.10655	4.4
206.04594	0.8
206.07211	0.7
210.14896	0.8
217.08630	1.0
217.12260	2.2
218.07451	0.9
219.08110	1.2
221.09659	2.3
223.07460	0.9
231.08136	1.0
232.08600	0.7
234.06708	1.0
235.07579	0.7
235.11313	1.0
247.07904	0.8
248.08266	1.0
249.09099	2.1
251.10767	0.9
263.10699	1.8
267.09091	2.5
277.08658	1.9
277.12088	1.3
277.22955	0.9
278.13092	2.6
279.10355	0.9
281.11890	3.3
285.10077	4.1
291.10287	2.4
295.13281	0.9
297.11157	0.9
309.11246	3.6
309.14886	13.7
310.12219	1.1
310.15414	1.2
323.09192	1.3
326.15137	12.7
327.15384	0.9
341.10144	1.9
341.14014	6.0
341.17880	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	341.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55770	1.0
53.12409	1.0
53.60131	1.0
55.05279	1.2
55.05510	14.2
57.07054	2.9
65.36263	0.9
67.05501	8.5
68.80733	1.0
69.07069	13.0
69.56390	1.0
69.83113	4.9
79.05497	5.2
81.07054	15.0
83.08615	8.5
85.06512	1.7
91.05441	4.9
92.41965	1.0
93.07044	14.2
95.08603	25.6
97.06526	1.6
97.10157	6.4
105.07037	11.7
107.08593	19.6
109.10146	13.3
111.08052	2.4
111.11694	1.0
117.06979	2.3
119.08595	15.6
121.10143	15.3
123.08072	1.8
123.11687	7.3
125.09669	1.1
129.06981	2.8
131.08565	9.2
133.10133	11.3
135.11687	8.8
137.09581	2.9
137.13217	2.1
142.07770	1.7
143.08571	5.7
144.09326	1.3
145.10126	12.1
147.11696	10.0
149.13255	4.5
155.08511	3.0
156.09383	1.3
157.10138	10.5
159.08086	1.3
159.11670	10.1
160.12515	1.1
161.13289	9.0
163.14812	4.7
169.10126	5.7
170.10814	1.5
171.11690	11.1
172.12613	1.0
173.13263	10.5
175.14807	3.9
177.12953	1.1
177.16341	4.1
183.11694	7.2
185.13281	7.6
187.14803	9.9
189.16365	4.3
191.17891	7.1
197.13274	6.1
199.14778	5.3
201.16391	7.7
203.14401	1.5
203.17941	11.7
209.13202	1.4
210.13908	1.4
211.14810	5.7
213.16322	7.3
215.17966	2.5
217.19482	3.2
225.16408	8.2
227.17938	8.0
229.19528	4.2
238.16873	1.2
239.18045	5.7
241.19563	3.6
243.17377	1.4
245.19011	3.6
251.17847	1.2
253.19437	12.1
253.21782	1.0
255.21053	3.8
257.19064	1.4
267.21030	4.5
271.20496	2.7
279.20898	2.1
281.22537	2.5
285.22095	1.6
297.25964	1.8
323.27310	46.6
341.28372	100.0
342.28448	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	3.1
55.05513	19.1
57.07066	11.7
58.64411	3.3
67.05502	18.2
69.07064	20.2
71.04987	5.2
79.05488	12.1
81.07068	36.3
83.08612	11.3
91.05483	10.3
93.07047	23.9
95.04966	6.1
95.08604	56.1
97.10182	10.8
105.07014	21.3
107.08591	38.6
109.10156	30.7
109.84814	3.1
119.08584	38.7
121.10146	29.0
123.08088	5.7
123.11705	12.6
126.00978	3.3
131.08577	12.1
133.10132	27.0
135.11703	16.6
136.06189	8.0
137.09662	6.6
137.13234	3.6
143.08563	7.1
145.10091	19.6
147.11681	17.5
147.57310	2.9
149.05966	4.1
149.13271	10.6
151.11079	3.7
155.08560	5.1
157.10121	15.0
159.11671	19.8
161.13295	16.1
163.14844	9.1
169.10185	9.5
171.11707	12.7
173.13258	12.1
175.14911	8.1
177.16406	4.0
183.11732	8.9
185.13263	11.3
187.14790	15.6
189.16315	5.3
190.17062	3.2
191.17978	14.5
197.13261	6.4
199.14862	8.0
201.16406	15.9
203.17931	19.1
213.16287	7.0
215.17970	5.4
217.15921	3.6
217.19470	7.5
225.16399	9.2
227.17958	11.8
229.19499	4.3
239.17986	6.7
241.19630	5.3
253.19547	11.3
255.21089	3.5
257.18881	4.2
267.21118	7.1
281.22549	3.9
297.25690	9.8
313.97925	3.7
323.27313	52.4
341.28409	100.0
341.32391	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	341.305
Annotation	Glycidyl stearate
Peak:m/z	Relative Intensity
53.24401	0.8
55.05516	7.3
57.03442	16.8
57.07078	60.3
57.22934	0.8
57.31034	0.8
58.07397	0.8
58.24612	1.0
67.05505	13.6
69.07072	12.9
69.28008	4.1
69.28432	3.1
71.04996	1.0
71.08634	38.0
79.05483	2.8
81.07055	17.2
81.07529	1.0
83.08621	10.8
85.10189	21.0
89.06030	2.5
91.05484	1.6
93.07043	3.0
95.08611	23.0
97.06541	0.9
97.10163	9.1
99.11751	1.8
103.07569	1.1
105.07033	1.4
107.08631	1.6
109.10160	10.7
111.11698	3.6
117.06969	0.9
119.08562	1.5
121.10181	1.3
123.11682	4.6
131.08577	1.3
133.87157	0.9
137.13237	2.9
147.11626	1.7
149.13245	0.9
151.14740	0.9
157.10114	1.1
165.67339	1.0
173.13199	1.1
192.04039	1.0
205.50330	0.9
267.26855	1.3
285.27914	5.4
303.18390	1.4
341.20807	3.0
341.26730	10.7
341.30511	100.0
342.30811	7.4
342.37497	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	342.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98254	0.7
53.03949	1.5
55.05508	0.7
56.05039	1.6
56.57129	0.7
56.96573	0.8
57.03438	4.3
57.07079	4.7
59.04990	0.9
61.02909	1.6
67.05505	1.3
67.91142	0.8
68.34261	0.7
69.03434	3.1
69.07065	3.9
70.06586	1.9
71.04988	1.5
72.08158	1.1
74.06100	1.0
79.05495	1.0
80.05031	1.4
81.03426	1.6
81.07047	1.6
82.02957	3.0
83.06129	1.4
84.04546	1.6
84.08144	4.8
85.02912	6.6
85.06536	6.4
86.09721	5.0
89.03908	1.2
91.05473	1.3
94.02931	1.2
95.04963	2.7
95.08603	0.8
96.04550	0.9
96.08172	0.8
97.02872	2.6
97.06532	0.9
97.07652	3.1
98.97577	1.2
99.04500	0.9
99.05595	5.1
101.05997	1.0
102.05560	2.6
103.07584	34.3
105.07041	1.5
107.04957	1.2
108.04488	1.5
109.06500	1.7
110.06035	0.8
110.09727	0.9
111.05573	23.5
113.06003	1.1
117.03390	0.9
117.09128	2.8
120.08094	1.9
122.09694	5.4
123.04429	1.0
125.07107	11.6
126.05527	6.9
127.04009	1.4
127.05054	3.8
127.07567	4.5
131.07059	1.9
133.02873	1.9
134.03285	1.2
135.04446	4.0
135.05435	0.9
136.04782	0.9
136.07599	1.2
137.06024	2.1
139.05026	36.5
139.12326	3.6
140.05380	0.9
145.05016	1.2
145.08650	2.2
147.05527	1.0
149.06001	0.8
150.09138	7.1
151.03908	1.0
152.10715	2.2
153.05501	1.2
153.06485	3.9
163.03899	6.9
163.09666	13.6
164.04233	6.8
167.11821	17.0
168.10124	0.7
178.12355	0.8
179.03409	5.9
179.04877	0.9
180.03741	7.5
189.27402	0.7
192.86812	0.8
195.11298	100.0
196.09721	2.5
196.11661	2.4
201.05678	0.8
207.14836	1.1
216.28812	0.7
223.07353	1.2
223.10817	5.9
242.10150	1.4
278.14938	1.6
279.13504	1.9
296.16006	2.1
324.15552	26.0
325.16049	0.8
342.06891	1.9
342.14273	2.9
343.13565	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	342.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01882	0.7
53.03941	1.2
54.35840	0.7
55.01859	1.8
55.05499	1.7
56.05025	3.1
56.96558	3.9
57.03436	2.9
57.07085	1.0
59.04992	0.9
61.01110	0.7
61.02924	3.7
67.05514	2.7
69.03434	5.3
69.07076	5.1
70.06602	5.7
71.04978	2.1
71.49047	0.6
71.49423	1.2
72.08143	2.6
73.02906	3.1
74.06085	1.1
79.05488	5.2
80.05006	1.2
81.03406	5.1
81.07052	2.5
82.02934	1.9
83.04990	2.2
83.06093	1.4
83.08627	0.8
84.04510	2.2
84.08150	2.5
85.02903	7.4
85.06552	2.2
86.09702	20.7
91.03963	1.6
91.05486	3.6
93.07031	3.2
94.02913	1.2
94.06604	0.9
95.04976	5.9
95.08630	2.1
96.04523	1.1
96.08138	1.7
97.02893	4.6
97.06550	1.3
97.07663	1.3
98.97598	5.4
99.04482	1.0
99.05578	4.0
100.03977	1.0
101.02406	1.0
102.05531	2.4
103.05473	1.2
105.06991	1.3
107.04977	4.8
107.07352	1.0
107.08602	2.7
108.04475	1.6
109.02914	1.8
109.06493	1.3
110.09703	1.7
111.05565	21.4
112.88727	0.7
116.07092	7.7
116.98615	2.8
119.01825	1.1
119.08569	0.8
120.08108	1.5
121.06514	1.2
121.10152	1.3
122.06016	1.3
122.09671	3.5
123.04440	2.3
123.08125	1.1
124.07567	1.1
125.02393	1.2
125.07121	10.4
126.05535	6.0
127.03959	2.2
127.05044	3.2
128.98627	1.7
131.00180	2.8
131.04921	1.2
132.08064	0.9
133.02827	1.3
134.99663	0.9
135.04419	31.1
136.04721	1.1
137.05969	2.6
138.06334	0.9
138.09113	0.9
139.03925	1.7
139.05020	35.2
139.11285	0.9
139.12320	3.5
142.03235	0.8
143.11786	2.5
147.03052	1.1
147.04391	1.3
148.09691	4.0
149.01234	5.4
149.05972	3.3
150.09137	6.3
151.03938	2.1
152.10704	3.1
153.05461	7.1
153.06625	3.6
156.03615	3.3
161.01164	1.1
161.05873	0.9
163.03896	2.2
163.07501	0.9
164.04230	0.9
167.02293	1.9
167.06622	1.0
167.11809	17.4
171.06709	1.2
177.00702	1.9
177.05470	2.9
180.07179	4.9
180.10225	2.8
181.08440	1.1
181.09854	1.8
195.06493	2.5
195.11290	100.0
196.11583	1.9
198.11047	0.7
199.18135	3.7
201.05530	1.0
216.13818	0.8
219.01784	0.9
223.10793	6.9
227.17574	1.4
228.05797	1.4
230.08038	1.5
231.04753	0.9
237.02724	1.1
239.08641	4.8
239.58795	1.4
241.07579	0.9
243.08850	5.0
252.09354	17.2
252.59529	2.7
259.08609	2.6
261.09906	10.2
261.60040	1.4
267.09152	1.4
278.15149	1.5
279.13373	1.9
292.10596	0.9
293.05478	1.2
296.16113	1.2
297.11240	1.0
311.10257	1.0
314.75470	0.8
324.11481	11.4
324.15512	22.4
324.21463	0.9
324.61700	3.2
325.10501	0.9
333.12076	6.9
333.62207	1.2
342.06815	1.1
342.19250	1.6
343.13519	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87175	0.4
55.01873	0.8
55.05515	6.7
56.05039	0.6
56.26978	0.4
56.96557	1.8
57.07086	0.4
59.04993	1.0
62.06094	2.3
67.05495	1.8
69.03424	0.7
69.07081	2.1
70.06586	1.3
70.75317	1.3
71.08252	0.7
71.08631	9.6
72.08149	1.2
79.05496	2.0
81.07062	2.9
83.04979	6.7
86.05541	0.8
86.06072	15.5
91.05500	2.4
93.07041	1.9
93.07594	0.4
95.04971	1.6
95.08617	1.9
96.08129	6.2
97.06525	3.1
98.06008	0.9
98.09703	9.9
98.97590	0.7
99.08092	4.0
100.07619	1.1
101.06027	4.6
105.07006	1.4
107.05017	0.5
107.08609	0.8
108.08105	1.7
109.06508	1.1
109.10172	1.2
110.09782	0.6
111.04457	6.1
112.04836	0.5
114.09177	0.9
116.10736	25.5
117.07025	0.9
119.08600	5.3
121.08870	1.2
121.10176	0.8
122.09690	1.3
124.07565	1.1
129.05481	2.1
133.10124	0.7
134.09650	1.5
135.08128	0.4
135.81683	0.5
136.11208	1.1
137.09622	1.7
142.08650	12.6
142.09775	0.6
142.12291	3.5
143.10675	8.3
144.11047	0.6
147.06398	0.5
147.07980	0.5
148.11208	1.0
149.09641	0.5
150.09221	0.5
152.10742	0.5
154.08636	0.5
154.15945	0.6
155.07024	1.8
157.10129	0.6
160.13348	1.6
162.12741	0.8
163.03899	0.8
163.11098	0.6
164.10735	6.2
165.09090	0.7
173.08084	1.6
173.09499	0.6
180.13855	1.6
182.15393	5.0
184.13332	1.5
190.12279	4.3
194.11763	0.4
195.28500	0.4
196.16975	1.1
198.14894	1.9
208.13324	8.1
214.18013	12.0
217.08589	0.6
226.14381	30.1
227.14697	1.4
229.40079	0.5
231.27652	0.5
244.15450	100.0
245.15778	5.3
270.08295	0.5
310.12875	0.8
324.21692	3.7
342.22815	10.0
343.07944	0.9
343.15543	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	342.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01867	2.5
55.05510	15.8
56.96565	11.6
57.03439	2.4
59.04992	2.1
64.72059	1.4
67.05494	9.8
68.78466	1.5
69.03423	1.8
69.07070	10.4
70.06604	3.9
70.47504	5.0
71.05003	2.8
71.08622	5.8
72.08152	2.0
79.05503	10.8
80.32288	1.4
81.03424	3.9
81.07054	14.0
83.01353	2.1
83.04980	16.6
83.08615	4.5
84.08141	2.0
85.02901	3.7
85.06545	1.7
86.06075	17.5
91.05472	5.6
93.07038	11.1
95.04956	9.1
95.08600	5.7
96.08146	8.0
97.02910	1.6
97.06535	18.4
98.09715	11.9
98.97608	2.0
99.08093	3.4
101.06033	6.5
105.07050	3.2
107.04948	4.8
107.08588	5.0
108.08094	2.9
109.02869	1.6
109.06521	4.0
109.10144	3.8
111.04456	9.6
111.08121	2.5
116.10728	27.9
116.98641	1.8
117.07007	1.6
119.08579	7.4
121.10129	3.9
122.09719	2.3
123.08102	2.0
124.03025	1.7
124.07558	2.3
125.05980	1.5
125.09614	1.9
129.05508	2.1
131.08557	4.2
133.10091	1.7
135.08064	2.2
135.11681	4.5
136.11197	2.4
137.05919	1.5
137.09645	2.8
142.08646	14.3
143.00214	2.3
143.10693	8.6
143.23242	1.6
145.06575	2.1
145.10101	6.0
147.08112	1.6
149.09616	2.4
153.12793	2.6
155.07080	2.2
161.01205	4.4
163.03926	3.8
163.11153	9.4
164.10724	5.8
169.06464	1.5
173.08153	2.5
173.09598	3.0
181.12236	4.9
182.15439	7.0
187.07559	3.7
188.04126	2.0
189.00812	1.7
189.09146	3.3
190.12273	4.6
191.10698	4.8
196.17043	2.2
198.14899	2.9
208.13304	8.1
209.11678	9.7
213.00723	1.8
214.18010	36.2
215.06950	1.9
226.14384	34.4
227.12764	13.1
229.08548	1.9
233.07642	1.7
243.10245	1.7
244.15442	100.0
245.15466	2.3
246.08780	4.9
269.04758	1.6
275.08450	3.5
283.13406	1.6
289.17960	3.5
297.06390	1.7
299.12701	1.9
307.18994	5.7
315.08606	4.2
325.14001	2.6
342.22656	7.8
343.08047	9.8
343.15195	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01870	0.3
55.05511	6.7
56.05029	0.4
56.77402	0.2
57.07060	0.4
57.09193	0.2
57.19807	0.2
57.90982	0.2
59.04997	1.2
62.06081	1.2
62.06355	0.2
67.05520	1.2
67.05804	0.3
69.03426	0.3
69.07067	1.6
69.67308	1.6
70.06596	0.8
71.08256	0.5
71.08634	8.2
72.08163	1.2
73.02891	0.3
79.05490	1.1
81.07059	2.2
82.06592	0.5
83.04975	6.0
83.07311	0.3
83.08615	0.7
84.04486	0.5
84.08138	1.3
86.05595	0.4
86.06066	4.0
89.02457	0.3
91.04482	0.2
91.05469	0.5
93.07029	0.9
95.04966	0.8
95.07336	0.4
95.08599	1.5
96.08123	3.6
97.06527	2.6
97.10075	0.3
98.06049	1.2
98.09691	6.8
99.04475	0.3
99.08097	3.6
101.06020	5.5
105.07007	0.4
107.04948	0.3
107.08592	0.8
108.08129	2.3
109.10168	0.6
110.09667	0.6
111.04446	4.4
111.08071	0.3
113.05965	0.6
113.08358	0.3
114.09174	0.5
116.10732	16.5
117.11036	0.3
119.08587	0.7
121.08903	0.4
121.10081	0.3
122.09681	1.8
124.07603	1.3
126.09154	0.8
127.07555	0.4
129.05481	2.2
129.78082	0.2
134.09660	0.4
135.10455	0.4
136.11197	0.7
137.06000	0.3
139.03854	0.3
139.09927	0.3
140.10683	0.8
142.08643	1.5
143.10657	1.9
144.10202	0.5
145.10114	0.3
147.06496	0.4
151.03899	0.7
152.14388	0.3
154.08606	1.5
154.12297	0.6
154.15916	2.5
155.07019	1.9
161.07053	0.5
164.10738	0.7
164.14349	0.6
165.05446	0.6
166.15916	2.3
168.17503	0.7
172.09642	0.7
173.08115	2.8
178.15892	2.3
180.13873	0.3
182.15453	0.9
190.12260	0.4
196.16971	10.7
198.14828	0.3
198.43652	0.2
203.06927	0.2
208.13358	0.9
213.06703	0.3
214.18016	100.0
215.18405	2.3
223.08656	2.9
226.14374	14.0
227.14667	0.9
231.92270	0.2
243.10216	0.3
244.15428	6.3
257.08081	0.4
299.12741	0.6
310.12885	0.4
311.09958	0.3
324.21735	5.0
336.12360	0.2
342.14227	0.3
342.22739	5.6
343.12344	1.4
343.22873	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	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27408	0.2
53.03939	0.3
55.01860	0.4
55.05512	5.3
56.96550	0.9
57.03436	0.5
57.07081	0.4
58.06609	0.2
58.64244	0.2
59.05004	1.1
59.49185	0.2
62.06082	0.7
65.03931	0.3
67.05191	0.2
67.05510	1.6
68.40160	0.2
69.03426	0.4
69.07072	1.7
69.39185	0.9
69.39624	1.1
70.06575	0.7
71.04979	0.3
71.08247	0.4
71.08633	7.5
72.08157	1.7
72.22472	0.2
74.06805	0.2
79.05489	1.7
81.07054	2.6
82.06606	0.5
83.04981	4.7
83.08602	0.9
84.04500	0.3
84.08142	1.5
85.02890	0.5
86.06068	6.9
86.09716	0.4
91.05472	1.1
93.07052	1.2
94.06522	0.3
95.04962	1.0
95.07376	0.4
95.08603	2.6
96.08132	4.4
97.02827	0.2
97.06536	5.5
98.06074	1.5
98.09697	5.8
98.20749	0.4
99.07507	0.3
99.08099	2.7
101.06019	3.6
101.69236	0.2
103.05431	0.3
103.21916	0.3
105.07018	0.9
107.04971	0.4
107.08594	0.8
108.08115	2.0
109.02890	0.3
109.06512	0.5
109.10143	0.6
110.09695	0.6
111.04449	3.3
113.06072	0.3
113.08344	0.7
114.09182	0.8
116.10734	22.2
117.11036	0.4
119.08568	1.4
120.08091	0.3
121.06516	0.3
121.08881	0.4
121.10133	0.8
121.51492	0.2
122.05994	0.4
122.09688	1.6
123.04402	0.7
123.11707	0.3
124.07594	1.0
126.09158	0.7
129.05472	2.4
129.07034	0.3
131.08606	0.3
133.10144	0.5
134.09615	0.3
135.08038	0.3
135.10451	0.3
136.11192	0.7
137.05989	0.4
137.09628	0.6
138.09131	0.4
140.10716	0.6
142.08633	3.3
142.12210	0.2
143.08591	0.5
143.10681	3.8
145.06462	0.3
145.10141	0.4
146.07202	0.2
147.06580	0.3
147.07999	0.4
148.27539	0.3
150.12808	0.3
151.03915	0.3
154.08629	0.6
154.12286	0.5
154.15915	3.1
155.07040	1.2
155.08109	0.2
159.08051	0.3
161.06010	0.3
161.09644	0.8
162.12816	0.4
163.11151	0.3
164.04309	0.3
164.10692	1.2
164.14374	0.3
165.05544	0.3
165.07007	0.3
165.75531	0.2
166.15923	3.0
168.17470	0.7
170.15378	0.3
171.08046	0.4
173.08133	3.7
173.09578	0.4
175.07469	0.4
178.15898	1.8
180.13855	0.4
182.15416	1.1
184.13362	0.3
189.09087	0.8
189.11198	0.3
190.08604	0.4
190.12306	1.3
193.12216	2.2
196.16960	8.3
198.14925	0.4
199.07474	0.3
201.09142	0.8
208.13312	2.3
214.18021	100.0
215.18346	3.0
217.08548	0.5
223.08733	2.1
224.06956	0.5
226.14372	9.5
227.14458	0.3
229.08693	0.4
243.10194	0.5
244.15450	26.3
245.15834	0.8
246.14839	2.3
247.09703	0.4
249.02795	0.2
256.13361	0.4
257.08337	0.6
264.15927	0.7
274.14337	0.7
292.15405	2.1
299.12772	1.1
300.19699	1.6
307.15723	0.3
310.16467	0.6
311.09650	0.3
324.21735	0.6
325.14478	0.3
325.47256	0.3
342.14017	0.6
342.22742	6.6
342.26300	0.2
343.08197	0.3
343.12253	0.8
343.15399	0.9
343.22815	0.5
347.20813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74707	1.1
56.96563	5.5
71.48407	2.1
81.75828	0.9
97.99167	1.5
98.97580	16.9
107.45352	1.1
116.98615	19.7
119.01905	2.6
134.01263	1.3
134.99652	15.1
137.02979	1.9
138.12282	1.0
153.00755	3.2
159.06018	1.1
174.97693	2.7
176.02486	1.1
176.97412	3.0
177.00937	12.0
178.01115	1.3
179.00743	2.1
183.06128	2.9
192.98730	5.6
194.98421	2.5
201.07234	3.8
210.99789	1.3
215.33443	1.1
216.98628	5.7
218.03621	3.2
218.98518	4.6
219.01974	19.4
219.03964	1.5
220.02118	4.4
221.01872	6.3
222.97943	1.3
233.96677	1.2
234.96436	4.2
234.99861	21.7
236.00012	3.2
236.99496	14.6
240.98894	1.5
252.97632	7.4
253.00876	5.8
254.00909	1.1
258.01273	1.1
258.97055	1.7
258.99948	22.2
259.02518	1.9
260.00180	2.0
260.04791	2.4
260.99716	3.5
261.03088	20.1
261.05301	1.4
263.02890	2.8
264.99014	2.4
274.97498	1.4
275.97821	1.4
276.02411	1.2
276.97623	12.6
277.01013	33.6
278.01065	4.4
279.00647	5.9
282.99969	40.8
283.06363	3.5
284.00262	2.1
285.00214	2.2
285.99847	1.6
294.98730	4.5
300.97647	15.0
301.00992	100.0
302.01196	6.7
302.04584	1.1
303.00983	3.9
304.01031	1.8
317.98975	2.4
318.98618	38.5
319.02173	9.0
324.02521	2.5
325.01114	4.5
325.07333	1.1
336.99640	2.6
341.99939	1.5
342.98642	3.5
343.02124	45.8
343.08243	2.6
360.99625	11.9
361.03162	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	343.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03943	1.5
55.01875	1.3
55.05498	0.3
56.96574	0.4
57.03426	0.8
61.02925	0.8
63.44032	0.3
65.03930	0.5
67.05501	1.6
69.03098	0.5
69.03432	5.8
69.07074	0.7
70.06579	1.2
71.01349	1.2
71.05017	0.3
71.49013	0.4
72.08148	0.8
73.02900	0.5
77.03909	0.7
79.05495	8.6
81.03431	1.5
81.07062	1.7
83.01318	0.8
83.04987	0.7
84.04510	0.5
84.08151	1.9
85.02910	2.6
86.09712	1.3
87.04478	0.4
91.05461	2.0
93.07043	1.8
95.01330	0.9
95.04971	11.8
95.08630	0.6
97.02899	2.3
97.06528	1.6
99.04489	0.3
100.07627	0.4
100.11237	1.2
101.02377	0.9
103.03940	1.2
103.05467	2.0
103.46712	0.3
105.04467	0.7
105.07021	1.3
105.64095	0.3
107.04959	12.9
107.08578	0.9
109.02889	5.9
109.06516	2.1
111.04420	0.3
113.02378	0.9
119.04965	0.6
120.08083	0.8
121.06516	4.4
123.00798	1.6
123.03712	0.4
123.04440	3.7
123.08016	0.3
125.02349	1.9
125.06004	1.8
125.14378	0.3
127.03893	0.5
129.10239	1.1
131.03427	0.5
131.04910	1.4
133.02890	0.5
135.04416	100.0
136.04781	1.9
137.05994	1.1
137.08044	0.3
137.09680	0.3
138.09126	0.4
139.11205	0.3
141.01830	1.0
142.03152	0.3
145.04985	0.5
149.04567	0.6
149.05984	5.6
151.03900	5.9
151.07561	1.2
153.05467	10.2
153.09111	0.3
159.04387	0.7
162.02271	0.3
163.03915	0.4
163.07526	1.2
163.11172	0.5
164.07060	0.3
165.09117	0.5
167.07059	2.2
173.04469	5.7
173.05904	0.6
175.07327	0.3
177.03891	0.6
177.05467	9.6
181.08571	0.5
189.12721	0.3
191.07024	0.4
195.06534	7.6
201.05457	0.4
207.13768	0.6
209.08086	1.1
213.07549	0.3
253.07082	0.9
255.04961	0.8
281.06412	0.5
291.98456	0.3
297.11401	0.5
307.08289	0.5
325.08762	1.7
342.50125	0.3
343.13837	3.3
343.17697	0.5
343.30695	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	343.1024
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
51.02382	0.4
53.03938	1.5
55.01867	1.2
55.05507	0.4
56.96537	0.2
57.03423	0.5
61.02916	0.8
64.28532	0.2
66.67713	0.3
67.05490	1.6
69.03426	5.1
70.06577	0.8
71.01337	1.2
71.04981	0.3
71.49038	0.3
72.08155	0.6
72.37378	0.2
73.02908	0.8
77.03911	0.5
79.05492	8.2
81.03426	1.2
81.07051	1.6
83.01330	0.8
83.04977	0.6
84.08140	1.2
85.02906	2.7
86.09689	0.8
91.05474	2.1
93.07045	2.1
95.01326	0.5
95.04967	10.5
95.05586	0.5
97.02885	2.1
97.06537	1.5
100.11258	0.5
101.02395	0.5
103.03961	1.6
103.05459	1.9
105.03473	0.3
105.04498	0.5
105.07039	0.9
107.04219	0.6
107.04955	12.1
107.08591	0.3
109.02880	5.8
109.06519	1.7
113.02373	1.0
116.07101	0.4
117.06943	0.3
119.04906	0.4
120.08051	0.4
121.06503	3.7
123.00779	1.4
123.04427	3.4
123.08002	0.3
125.02365	1.7
125.06011	1.7
127.03915	0.8
129.10237	0.3
131.04875	1.2
133.02834	0.4
133.06464	0.4
135.04411	100.0
136.04733	1.7
137.05943	0.7
137.09605	0.3
141.01791	0.7
141.05501	0.3
142.03134	0.3
147.04440	0.5
149.04471	0.8
149.05977	5.7
151.03899	6.1
151.07573	0.7
153.04205	0.5
153.05470	9.6
159.03072	0.3
159.04436	0.7
163.07558	0.7
163.11183	0.5
165.05533	0.3
167.07043	1.7
171.47618	0.3
173.04456	5.7
177.05467	10.7
178.05876	0.3
181.08519	0.7
191.05481	0.4
195.06529	6.7
205.01613	0.3
207.13855	0.7
209.08115	0.4
231.12840	0.3
253.06999	0.7
255.05125	0.6
281.06430	0.4
307.08197	0.7
325.08826	1.7
325.17087	0.3
343.13632	1.9
343.30768	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	343.1176
Annotation	UWM6
Peak:m/z	Relative Intensity
53.61230	1.0
55.01870	2.9
55.05495	2.4
56.96556	1.3
57.03440	1.2
58.73249	1.1
58.74323	1.1
65.03934	2.6
66.28180	1.0
67.05500	4.4
69.03419	2.2
69.07056	2.1
70.06591	2.1
71.04989	1.7
71.49218	1.2
71.49627	1.2
72.08136	3.5
79.05499	6.0
81.07055	7.0
83.04962	1.2
83.08620	2.3
84.04498	1.2
85.02902	3.7
86.09685	5.7
89.25601	1.1
91.05476	11.8
93.07047	4.4
94.04168	2.9
95.04961	5.9
95.08565	1.4
97.02895	1.6
97.06517	5.0
98.97562	2.0
99.08067	2.7
103.05469	5.1
105.03377	1.4
105.07033	4.1
107.04964	4.5
107.08578	3.9
109.02885	1.2
109.06542	2.5
109.10168	1.3
111.04424	2.3
115.05458	12.6
116.01709	1.9
116.98614	1.2
117.07000	4.0
119.04935	4.6
119.08582	2.8
121.06493	4.1
121.10189	1.6
122.03654	5.9
123.04388	1.9
125.05977	3.5
129.06924	1.7
131.04915	7.0
131.05739	1.1
131.08569	2.3
133.02884	1.2
133.06483	2.1
133.10173	1.4
134.03648	1.7
135.04408	3.9
135.08083	3.2
135.11702	1.4
137.02295	3.0
137.05977	48.4
142.03192	4.2
143.04903	5.8
144.01306	1.3
144.05708	1.5
145.06471	6.1
145.10155	1.9
147.04405	4.0
147.11642	1.2
148.03903	2.7
149.05998	9.4
150.06732	4.7
151.03941	9.8
151.05025	1.9
151.07542	2.0
152.06195	1.7
153.05461	16.1
153.06674	1.9
157.06459	1.5
158.03619	4.6
159.04451	5.4
160.05165	6.1
161.06020	5.2
162.02223	2.7
163.03886	1.5
163.07542	4.7
163.11182	4.5
163.72002	1.3
165.06963	3.8
166.07787	2.3
167.07060	1.7
167.08495	1.1
170.02724	1.5
172.05130	1.3
173.05994	8.8
174.06741	1.5
175.03906	4.5
175.07562	9.9
176.06226	3.5
177.05484	2.7
177.07005	10.6
179.07059	1.1
179.08539	2.4
181.06473	3.2
181.12181	1.4
182.07230	1.4
183.07982	1.6
186.03131	13.2
187.03888	3.9
188.04309	2.0
189.07034	1.2
189.09050	1.8
191.06964	1.8
191.08575	1.9
193.06508	2.5
194.07239	13.0
195.08093	3.2
201.05461	36.3
201.07234	2.5
203.05266	10.1
203.07047	2.5
204.05705	2.8
205.06491	30.7
206.07207	2.4
207.04874	1.5
207.08118	2.6
208.05159	1.7
209.09567	1.9
211.03928	1.3
211.07501	3.9
213.09122	1.5
219.06493	4.0
219.08234	2.4
221.06013	9.8
222.06744	21.8
223.07446	4.7
225.09052	1.2
227.07010	4.2
233.05954	27.6
233.09442	1.4
234.06712	7.6
235.07506	2.7
236.04703	1.7
236.08284	1.2
237.09059	25.3
239.07014	5.9
240.04268	1.2
240.07852	2.7
241.08543	1.4
243.06564	1.2
247.07512	4.4
248.08234	1.3
249.05475	9.1
249.09254	2.0
250.06253	25.0
251.06955	7.4
253.04889	1.7
253.08517	3.0
254.05692	2.1
255.06470	1.4
257.04535	1.5
261.05377	6.0
262.06250	1.6
264.07791	8.2
265.08594	53.9
266.09158	5.4
267.06601	6.1
267.09167	1.2
268.07254	3.3
277.04944	4.2
278.05713	11.8
279.06674	3.4
279.10138	6.1
281.08380	2.0
282.08838	5.3
283.06238	1.8
283.09695	6.4
292.07297	17.8
293.08069	45.9
294.08752	2.4
295.05957	4.1
297.07864	2.2
297.11157	13.5
299.12735	3.5
301.10870	1.8
307.09637	58.3
308.09982	2.0
310.08331	6.4
311.05563	2.2
311.09128	2.4
311.12796	3.2
315.08954	1.6
325.10699	73.4
325.28455	3.5
326.10965	2.2
343.08640	17.1
343.11902	15.7
343.17239	100.0
343.29208	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	343.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03939	2.7
55.01876	2.8
55.05499	2.3
56.96553	0.7
57.03439	4.5
57.07082	1.0
57.25233	0.5
58.61752	0.5
59.05005	0.7
59.25283	0.5
61.02929	4.1
67.05506	4.8
69.03432	13.1
69.07063	1.8
69.35954	3.3
69.36369	1.3
70.06587	2.6
71.01390	0.8
71.04996	2.5
72.08155	2.0
73.02908	2.0
73.58241	0.6
75.04481	1.4
77.03937	0.6
79.05497	9.4
81.03425	5.9
81.07065	6.5
83.04987	9.4
84.04513	1.3
84.08137	2.6
84.08576	0.5
84.39177	0.6
85.02911	17.4
85.06533	0.6
86.09707	3.4
87.04461	2.2
91.03927	1.1
91.05497	5.6
93.07048	8.1
95.01331	0.7
95.04973	25.6
95.08612	1.4
97.02898	7.6
97.06532	2.3
98.97588	0.7
99.04457	2.4
100.68875	0.5
103.05472	2.5
105.04501	1.0
105.07041	5.3
107.04960	16.3
107.08585	6.9
109.02895	8.1
109.06530	2.4
111.04430	1.6
111.08080	1.0
113.06011	6.1
115.05515	0.8
116.07082	0.5
117.03401	0.7
117.05515	0.5
117.07006	1.9
119.04939	0.7
119.08569	2.1
120.08114	0.7
121.06512	6.5
121.10164	5.7
123.00779	1.0
123.04450	3.2
123.08063	1.1
124.07630	0.8
125.02397	2.6
125.05989	6.4
126.93289	0.5
127.03925	5.2
129.06990	0.7
129.10304	1.2
129.58339	0.5
130.04956	0.6
130.07811	1.0
131.04944	1.6
131.07028	4.3
131.08577	0.5
133.02835	0.7
133.06453	1.3
133.10178	1.1
135.04417	100.0
135.08043	2.0
135.11664	2.8
136.04741	1.5
137.05975	4.1
137.09656	1.2
141.01897	0.7
143.08624	0.6
144.96011	0.6
145.04950	3.1
145.10126	9.1
147.03188	0.6
147.04440	1.1
147.08133	0.5
149.01259	1.2
149.06006	5.6
149.08093	1.7
151.03911	9.6
153.05467	6.9
153.09048	0.6
161.05975	0.7
161.09631	0.9
163.07518	1.8
163.11186	43.4
164.06987	0.8
165.07135	0.8
165.09155	0.8
167.02205	0.8
167.07047	3.6
172.03998	0.7
175.07460	0.8
177.05490	13.7
181.08597	2.3
181.12234	8.3
182.02689	1.1
183.84961	0.5
190.04997	1.7
195.06534	10.8
201.05533	1.2
202.54358	0.7
205.06523	1.2
205.12088	0.7
209.08069	1.3
222.06741	1.1
223.13339	0.8
233.05911	1.2
237.09059	1.1
238.18192	0.6
239.58717	0.8
243.59033	1.3
252.59421	2.6
253.09435	0.7
261.60104	1.2
265.08597	1.6
278.05756	0.6
293.08142	1.9
297.11221	1.3
299.13303	1.0
307.09604	1.5
324.61606	1.1
325.10257	1.2
325.12851	2.0
333.62173	1.3
343.13022	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	343.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
53.84462	0.7
55.01864	2.4
55.05502	1.8
57.03444	4.1
57.07075	1.5
59.04995	1.3
61.02929	4.8
67.05506	3.1
69.03432	16.8
69.07047	1.8
69.66510	4.3
71.01334	0.9
71.04993	3.7
73.02909	2.9
79.05499	7.0
81.03423	6.2
81.07058	8.3
83.01358	1.0
83.04986	9.2
83.08586	0.6
84.04480	0.6
85.02907	33.3
85.06519	1.3
86.09732	1.1
87.04451	2.5
91.03954	2.5
91.05470	4.9
93.07047	9.4
95.04971	27.3
95.05580	1.5
95.08597	1.7
97.02302	1.0
97.02894	10.6
97.06560	3.1
99.04444	2.9
103.03969	1.2
103.05458	2.4
104.87006	0.7
105.07031	8.7
107.04959	10.5
107.08590	10.1
108.05262	0.8
109.02890	6.0
109.06531	2.4
113.06040	3.4
117.07010	3.4
119.08567	4.4
121.06499	6.2
121.10147	12.1
123.04430	2.0
123.08115	1.3
125.02362	1.9
125.06006	9.7
127.03911	7.3
129.06981	0.9
130.07784	2.1
131.07033	2.2
133.06511	1.2
133.10127	0.9
135.04417	61.4
135.08044	1.2
135.11696	6.1
136.04716	1.4
137.05962	1.8
141.05507	0.6
145.04953	7.6
145.10126	16.7
147.08063	1.1
149.05992	4.4
149.08089	1.5
151.03911	4.9
153.05460	3.1
161.09673	1.7
163.11185	100.0
164.11531	2.7
165.09064	1.1
167.07076	1.6
175.11217	1.8
177.05463	9.3
181.12234	20.2
182.12491	0.7
183.10193	1.3
187.11198	1.0
190.04950	0.8
193.12263	1.3
195.06534	6.5
205.12144	1.5
209.08200	0.8
222.06816	0.8
223.13280	2.7
237.09038	0.8
254.60866	0.7
277.50818	0.6
307.15387	1.7
325.13034	0.9
325.16321	1.1
343.12881	2.1
343.17487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.01862	4.9
55.05511	2.6
57.03448	9.2
59.05008	1.4
61.02927	14.9
65.44391	1.2
67.05498	5.6
69.03432	34.2
69.07066	3.2
69.52563	1.3
70.06589	1.5
71.04993	6.9
71.26077	2.7
71.59200	1.1
73.02910	4.7
79.05486	6.0
81.03416	21.7
81.07056	10.3
82.21800	1.2
83.04980	3.0
84.08128	5.0
85.02905	100.0
85.06531	5.9
86.03223	1.5
86.09713	3.8
87.04464	4.8
88.03958	1.2
91.03941	5.0
91.05471	7.2
93.07047	13.9
95.04967	32.5
95.08614	9.8
97.02892	34.5
97.06544	1.7
99.04466	8.9
103.05479	4.1
105.07029	10.4
107.04964	7.3
107.08584	13.5
108.90120	1.5
109.02870	10.7
109.06522	27.0
109.10157	3.5
111.32146	1.4
115.03890	1.8
115.05447	1.9
117.07032	4.8
119.08585	6.3
121.06523	10.0
121.10143	10.3
123.08062	5.2
125.06008	2.0
127.03921	26.4
131.04976	1.6
133.10149	2.2
135.04413	34.1
135.08055	5.2
135.11700	12.3
137.05966	7.6
137.09604	4.4
137.13249	3.0
139.11221	2.8
143.08527	1.5
145.04964	24.0
145.10120	13.2
147.11673	11.0
149.05930	1.6
151.03900	2.1
151.11157	3.0
153.05498	3.7
153.09166	2.8
161.05994	5.2
162.06757	2.4
163.07516	4.4
163.11179	60.5
165.12738	14.2
175.07538	4.3
175.11067	1.7
177.05472	5.1
181.08763	7.5
181.12228	95.8
182.12654	1.6
195.06560	3.4
205.12241	5.1
211.13327	1.6
220.78735	1.3
223.13315	9.1
297.11200	4.4
299.12762	2.2
307.15396	3.6
311.12869	4.8
343.13736	5.9
343.17502	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03939	4.4
55.01863	7.1
55.05512	20.7
57.03439	9.6
57.07064	10.4
59.04988	7.2
65.03931	2.3
65.72780	2.0
67.05513	24.5
69.03426	10.5
69.07047	8.0
71.04674	2.0
71.04994	24.1
71.20701	2.5
79.05486	23.1
81.03417	3.2
81.07056	37.5
83.04984	4.6
83.08602	4.1
85.06519	4.8
91.05479	35.4
93.07044	74.0
95.04971	63.3
95.08607	98.0
97.06527	21.7
103.05399	3.1
105.04537	2.5
105.07029	94.8
107.04973	3.5
107.08588	57.1
108.05714	2.4
109.06517	18.9
109.10152	5.0
115.05453	6.5
117.07018	31.4
119.08577	35.3
121.06508	19.2
121.10143	22.8
122.07278	3.6
123.08060	32.7
125.05931	3.5
128.06247	6.4
129.06993	6.2
130.07791	17.8
131.08597	9.4
133.06487	8.9
133.10120	20.3
135.08043	31.9
135.11671	16.7
137.05971	4.1
137.09621	4.3
142.07787	6.1
143.08559	13.2
144.09268	2.4
145.06464	3.6
145.10118	98.0
146.10406	3.2
147.08028	16.4
147.11690	4.6
149.09595	5.5
151.07544	60.5
153.09081	5.5
156.09230	2.8
157.10136	9.0
159.08047	5.8
159.11713	8.3
161.09644	9.8
161.13255	4.2
163.11179	75.3
165.09117	17.2
167.08560	2.5
169.10159	2.7
171.11685	7.2
173.09639	8.0
173.13274	5.0
175.11211	5.2
177.09103	7.4
179.07013	4.2
181.12212	2.4
183.11673	4.0
185.13322	3.7
187.11240	5.8
187.14780	2.3
189.09152	2.6
189.12749	11.4
191.14276	3.2
193.10129	2.8
197.13258	3.0
203.14291	10.7
207.13791	6.1
209.13332	3.5
209.15366	5.1
213.16396	2.7
215.14400	3.2
221.15361	30.7
223.14891	2.3
225.12917	2.6
225.16483	2.4
227.14192	3.5
233.15370	6.9
243.13826	2.4
249.16397	2.2
259.16995	2.6
263.16318	10.0
269.15240	3.2
286.19293	4.7
287.16602	2.4
287.19717	2.2
307.20572	3.8
325.21622	16.1
343.22662	100.0
344.22919	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.02923	3.2
53.03944	5.8
55.01878	8.3
55.05516	17.6
57.03431	13.3
57.07087	7.3
59.05000	4.0
67.05511	24.6
69.03438	7.7
69.07065	9.1
69.82799	8.4
69.83205	16.7
70.02303	3.5
71.04986	17.5
71.86327	3.6
79.05491	25.9
81.03419	5.3
81.07057	33.1
83.04974	7.2
83.08627	3.9
85.06551	5.4
88.05250	3.6
91.05484	29.3
93.07050	67.4
95.04967	53.3
95.08608	82.3
97.06555	22.0
98.20841	7.3
103.05476	4.6
105.07040	81.4
107.04999	7.7
107.08601	54.6
109.06525	20.3
109.10158	7.2
115.05474	6.2
117.07034	24.2
119.04944	3.8
119.08588	32.5
121.06528	14.0
121.10176	17.6
123.08050	32.2
128.06201	4.6
130.07762	17.4
131.08601	14.9
133.06512	7.9
133.10114	19.1
135.08040	24.7
135.11687	20.3
137.09653	7.1
143.08553	14.2
145.10130	89.7
145.11188	7.5
146.10680	4.1
147.08116	10.6
147.11703	7.0
149.09598	11.5
151.07547	62.1
157.10097	5.7
159.11739	6.4
161.09665	9.1
161.13245	7.2
163.11183	65.7
165.09106	17.7
171.11713	6.1
173.09752	4.9
173.13307	6.1
177.09096	6.8
183.11691	3.7
187.11278	5.3
189.12767	10.0
197.13271	7.1
203.14297	6.3
204.87352	3.9
207.13782	8.0
209.15506	6.6
217.12372	4.5
221.15373	40.1
233.15318	4.2
263.16449	10.7
269.15353	4.7
286.19409	6.8
293.53693	4.0
325.21634	17.1
343.18896	7.5
343.22729	100.0
344.23050	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03925	4.9
55.01859	6.3
55.05511	20.2
57.03411	6.8
57.07075	10.3
59.04979	5.2
65.03930	3.6
67.04026	1.8
67.05204	2.2
67.05509	30.9
69.03423	10.3
69.07043	6.0
69.78105	10.0
71.04990	25.5
74.42678	1.5
79.05489	26.5
79.42344	1.9
81.03423	3.8
81.07048	30.2
83.04973	7.3
83.08593	3.1
85.06515	5.8
91.05475	40.2
93.07040	79.5
94.07336	2.8
95.04963	70.7
95.08604	86.5
96.05287	2.9
96.08887	1.9
97.06010	1.9
97.06532	16.8
103.05444	3.7
105.07028	90.3
106.07321	1.7
107.04945	3.9
107.08585	63.4
108.08939	1.7
109.06502	19.1
109.10140	5.2
111.08078	3.4
115.05451	9.7
117.06252	2.7
117.07018	33.0
119.08569	32.6
121.06496	17.3
121.10150	18.6
122.07252	3.1
123.08060	29.5
123.11694	2.4
125.05972	5.0
128.06195	3.6
129.05016	2.2
129.07001	7.5
130.07780	19.8
131.08572	12.2
133.06464	7.2
133.10130	17.1
135.08043	30.6
135.11691	16.4
137.09563	7.8
141.07040	2.3
142.07751	3.3
143.08556	13.0
145.10123	100.0
146.07193	2.0
146.10422	3.3
147.08047	16.0
147.11661	7.5
149.09637	8.5
151.07541	55.1
152.07886	3.7
153.09090	3.3
155.08553	3.6
156.09276	2.4
157.10126	10.7
159.08028	4.1
159.11678	11.3
161.09573	9.3
161.13290	4.1
163.11171	71.8
165.09093	22.0
169.10101	4.2
171.11679	9.1
173.09615	4.0
173.13322	2.4
175.11142	6.5
177.09125	5.0
179.07008	5.3
179.14232	2.0
181.10214	2.8
181.12230	3.7
182.10982	2.6
183.11729	3.0
185.09691	2.0
185.13315	3.7
187.11192	5.5
187.14934	2.5
189.09114	2.5
189.12737	12.8
191.10641	2.2
191.14374	5.5
195.11662	2.8
197.13290	4.5
199.11122	3.1
199.14703	2.3
201.12772	2.8
203.14308	8.1
207.10110	3.9
207.13794	7.6
209.13350	3.6
209.15324	4.5
217.12192	2.8
221.13228	2.8
221.15331	32.8
225.12820	2.6
225.16403	2.5
233.13165	2.4
233.15347	6.2
237.14740	2.2
241.15752	4.1
243.13733	4.0
263.16431	6.4
265.19547	2.3
269.15427	5.1
281.18802	2.1
286.19205	5.0
287.16403	2.6
325.21475	13.2
343.22656	99.4
344.22998	5.1
354.60321	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	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	1.7
53.03940	5.1
54.35891	2.0
55.01862	8.9
55.05513	19.4
57.03443	9.4
57.07077	13.7
59.04985	8.2
64.48460	2.0
65.03935	3.4
67.05505	27.0
69.03430	13.2
69.07073	13.4
70.84016	4.7
71.04990	25.4
79.05495	29.4
81.03406	4.8
81.07056	34.3
83.04975	3.9
83.08641	2.5
85.06527	6.3
91.05482	40.5
93.07040	85.1
95.04969	63.1
95.05576	3.2
95.08608	96.6
97.06524	29.1
99.08075	1.9
103.05462	2.3
105.07030	94.4
107.04921	4.8
107.08594	62.8
107.09328	4.0
109.06527	19.2
109.10145	8.4
110.58693	1.9
111.08084	3.4
115.05444	8.5
117.07016	37.5
119.06104	2.1
119.08578	31.4
121.06487	17.4
121.10158	18.7
122.07290	2.3
123.08065	32.2
123.11704	2.4
125.05990	4.6
128.06239	3.7
129.06976	8.8
130.07800	22.4
131.08606	12.1
133.06459	5.0
133.10126	20.8
135.08067	31.3
135.11688	21.9
137.05968	3.1
137.09608	6.9
143.08578	16.0
144.09361	2.3
145.06470	3.2
145.10124	100.0
147.08055	18.0
147.11688	7.0
149.09601	8.1
151.07547	51.0
153.09038	4.2
155.08548	4.8
156.09363	3.3
157.10143	10.0
159.08057	5.1
159.11710	9.6
161.09650	10.6
161.13283	7.8
163.07468	2.1
163.11182	79.6
165.09117	23.7
167.07059	2.0
167.08594	2.9
169.10136	4.5
171.11679	4.9
173.09615	5.4
173.13301	4.5
175.11194	5.5
177.09099	7.3
179.07016	6.4
179.10559	3.0
181.10127	3.9
181.12262	2.8
183.11714	3.8
185.09654	3.4
185.13284	4.1
187.11189	6.9
189.09047	3.3
189.12733	13.4
191.10724	2.1
191.14252	2.7
193.12212	3.8
197.13284	6.0
199.11171	2.4
199.14691	4.3
201.09114	3.1
201.12791	2.3
203.14317	10.1
207.10086	2.9
207.13776	6.2
209.15370	3.7
211.14738	4.0
213.12828	2.1
218.95084	2.6
221.15340	36.9
227.14249	4.6
233.15373	3.7
263.16443	11.6
269.15341	5.6
274.19263	4.1
286.19183	4.9
287.16348	2.6
287.20123	2.3
307.20853	2.3
325.21603	9.7
343.19467	3.5
343.22665	92.9
344.22949	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	343.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01872	1.3
55.05508	11.4
57.07077	8.7
59.60207	1.3
67.05500	24.3
69.07066	21.3
70.67780	3.8
71.04971	5.7
71.08599	2.6
79.05489	12.7
81.07054	74.9
83.08619	9.5
85.06541	14.7
89.87726	1.4
91.05463	9.4
93.07042	33.7
95.04943	2.4
95.08607	100.0
96.08900	2.2
97.10141	7.0
99.08044	1.6
105.07025	22.8
107.08585	44.2
109.06493	3.4
109.10158	47.2
111.08030	2.7
111.11706	3.0
113.09638	3.4
117.07004	2.7
119.08576	24.8
121.10148	40.1
123.08057	3.1
123.11703	37.0
123.12595	2.0
125.09630	3.0
131.08543	9.4
133.09152	1.5
133.10126	22.2
135.10719	2.3
135.11684	31.1
137.09607	3.8
137.13251	36.5
139.11171	3.0
143.08507	2.4
144.09317	1.8
145.10121	17.7
147.11687	20.6
149.13254	19.4
151.11215	3.1
151.14827	6.5
153.12759	2.3
157.10150	3.4
159.11682	15.9
161.13261	15.4
163.11172	3.4
163.14835	16.2
165.12729	3.4
171.11682	2.5
173.13258	11.6
175.14825	11.0
177.12721	2.9
177.16335	8.5
179.14362	2.1
179.17958	1.3
181.03204	1.5
183.11777	1.5
185.13231	2.9
187.14778	10.6
189.16389	12.3
190.16844	1.5
191.14238	6.1
191.17911	9.1
193.15826	2.0
199.14806	4.1
201.16383	12.0
203.17972	9.0
205.15843	4.6
205.19499	3.7
207.17453	6.3
213.16335	3.1
215.17961	11.0
217.19572	6.2
219.17444	2.2
227.17915	3.9
229.19519	6.1
231.21017	1.7
233.19002	1.3
238.68410	1.2
241.19493	4.2
243.21089	1.9
255.21080	5.2
259.20526	1.6
259.24176	1.5
260.11292	1.2
269.22766	6.1
273.22299	1.5
283.24008	2.1
285.25793	2.0
287.23944	1.5
299.27307	1.9
316.27060	1.4
325.28873	40.8
326.29355	2.0
338.69241	1.3
343.22852	2.5
343.26868	2.3
343.29929	61.7
344.30231	3.5
358.96918	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	343.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83913	1.3
53.03938	2.1
53.60423	1.3
55.05510	15.9
56.96558	2.4
57.03419	1.8
57.07073	11.8
62.06092	2.4
62.72865	1.3
67.05509	16.0
69.06745	1.8
69.07072	22.9
69.52361	7.2
69.52779	3.7
71.08630	4.2
72.08942	1.7
79.05494	12.7
81.07056	56.6
83.08611	8.8
83.91869	1.6
85.06483	1.8
91.05457	11.5
93.07040	25.8
93.53111	1.7
95.04951	2.9
95.08606	55.5
97.06528	2.1
97.10175	15.3
105.07022	22.5
107.08591	38.6
107.86501	1.5
109.06516	25.2
109.09406	2.0
109.10155	41.6
111.08093	3.1
111.11727	3.3
113.21681	1.4
117.06992	3.4
119.08582	22.7
121.10138	32.2
123.04410	2.9
123.11707	23.3
125.09612	2.0
129.07034	1.9
131.08598	9.0
133.10114	20.3
135.11693	27.6
137.09610	1.8
137.13272	11.9
139.11127	2.5
143.08516	2.7
145.10115	16.4
147.11658	17.2
149.13266	14.4
151.11209	3.5
153.12762	1.5
155.08525	1.7
157.10115	3.4
159.11673	13.0
161.13286	15.6
163.11194	1.6
163.14818	8.7
171.11700	6.0
173.13235	13.8
174.18550	3.1
175.14827	8.4
175.18904	3.7
177.16368	6.0
185.13232	8.5
187.14792	13.4
189.16373	9.1
191.17966	8.2
196.54582	1.7
199.14812	6.8
201.16396	11.3
203.17897	12.9
205.16019	1.8
205.19568	4.5
211.14703	2.9
212.23755	1.5
213.16405	4.3
214.17189	3.0
215.17982	12.3
217.19397	7.5
227.17920	5.7
229.07414	2.6
229.19571	15.0
231.21027	3.3
231.25221	2.0
233.18950	1.4
240.23195	2.7
241.19456	10.7
243.21053	3.3
247.20566	4.3
248.15715	1.4
255.20978	8.8
259.20465	2.4
267.21115	1.9
269.22543	5.7
273.22083	2.6
283.24176	3.2
292.79431	1.7
297.06339	4.8
299.27255	8.1
325.28882	61.3
325.32828	3.1
338.93527	1.4
343.22787	3.0
343.26697	2.6
343.30014	53.0
343.37619	100.0
344.30566	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	343.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.8
56.40374	1.6
57.07059	9.5
67.05504	26.1
69.07065	29.2
69.88057	9.1
71.04977	6.2
79.05500	17.4
81.07054	69.7
83.08621	11.3
85.06556	9.6
87.56758	1.6
91.05485	11.8
93.07043	41.4
95.04954	4.6
95.08607	100.0
96.08949	2.5
96.59328	1.6
97.06526	2.8
97.10159	7.6
98.20834	2.6
105.07034	26.0
107.08590	55.5
108.74143	1.6
109.06495	3.5
109.10154	70.9
111.08092	2.1
111.11684	1.7
113.09624	5.1
115.05325	1.5
117.07004	2.1
119.08582	33.7
121.10143	48.2
122.10463	2.8
123.08047	3.2
123.11698	41.2
125.09616	3.7
131.08578	8.5
133.10126	30.3
135.11690	40.4
137.09631	2.6
137.13260	25.3
139.11128	3.4
145.10109	17.5
147.11673	27.5
149.13269	29.2
151.11229	4.5
151.14824	6.2
153.12724	2.7
156.28249	1.8
157.10143	4.6
159.11707	16.0
161.13249	23.5
163.14818	23.6
165.12781	3.0
169.24437	1.7
171.11678	4.3
173.13281	13.2
175.14798	13.4
177.12772	1.7
177.16373	10.6
179.14362	2.6
181.15862	2.1
185.13234	3.5
187.14815	14.9
189.16380	11.0
191.14279	6.8
191.17934	14.6
193.15877	2.4
199.14761	3.7
201.16379	15.6
203.17987	10.3
205.15880	5.3
205.19560	10.7
213.16379	4.8
215.17992	12.8
217.19521	8.6
219.17480	3.4
227.17941	6.1
229.19550	7.3
231.20963	3.6
241.19496	2.7
243.21075	4.4
247.20599	2.1
255.21001	5.5
259.20667	3.3
259.24197	2.8
269.22617	8.2
273.22253	2.7
285.25745	2.8
299.27386	1.7
325.28885	59.0
326.29312	4.7
343.29959	93.9
344.30295	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	343.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	21.7
56.30179	3.8
57.07065	6.6
58.83904	3.5
59.96861	3.1
63.76077	3.7
67.05502	20.7
69.07074	38.3
70.76180	8.7
71.04967	4.3
79.05492	13.6
81.07062	56.2
83.08604	12.4
91.05502	10.2
93.07041	37.6
94.77203	3.5
95.08601	72.3
97.10179	16.2
105.07027	28.4
107.08584	53.2
109.10155	71.2
111.08101	15.9
111.11715	9.4
117.07021	5.8
119.08588	38.1
121.10130	44.4
123.11695	39.5
131.08569	10.5
133.10118	22.4
135.11697	36.2
137.09610	5.4
137.13274	9.4
142.71049	3.6
143.08577	5.7
145.10130	27.8
147.11668	20.8
149.13251	16.4
157.10095	8.5
159.11716	22.9
161.13306	19.9
163.14832	11.6
171.11758	3.9
173.13210	18.4
175.14813	16.3
177.16408	7.1
180.36984	3.7
185.13234	7.1
186.39290	3.6
187.14845	31.3
189.16396	16.1
191.17998	11.6
195.31454	4.1
199.14854	11.7
201.16356	20.0
203.17931	17.2
205.19577	5.3
213.16376	9.1
214.17166	5.8
215.17934	32.8
217.19562	10.6
219.17403	4.3
227.17944	8.1
229.19444	20.7
231.21146	14.4
241.19560	15.8
243.20969	4.2
247.20639	4.9
255.21077	15.7
257.22736	6.3
269.22699	18.6
273.22241	3.7
283.24350	6.0
299.27341	7.7
325.28915	100.0
326.29254	6.3
343.29944	92.6
344.30307	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	344.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94783	0.4
53.03938	0.6
56.96552	0.5
57.03416	0.8
58.82827	0.3
59.04976	1.2
61.02915	1.5
69.03095	0.4
69.03426	3.6
69.33701	0.8
69.34110	2.4
70.06584	1.6
71.01299	0.3
71.04975	0.5
72.08145	0.5
73.02911	0.9
78.30499	0.3
81.03391	1.0
84.04475	0.4
84.08150	1.6
85.02905	8.7
85.08472	0.6
86.09682	0.7
87.04470	0.5
91.03933	0.4
91.05461	1.5
97.02905	2.4
98.97552	0.5
99.04433	0.6
103.07559	1.4
109.02871	0.7
109.05128	0.7
114.09207	0.3
116.07083	0.9
116.98598	0.6
119.04931	4.7
122.06022	0.4
123.04379	1.0
127.03889	1.4
134.04622	8.8
136.07578	0.5
137.05975	0.3
140.02802	0.5
145.04955	1.5
146.06065	0.4
147.04405	24.5
152.05672	1.1
164.07079	4.2
165.02335	3.9
165.05472	12.4
165.11179	2.2
167.02646	0.6
177.00774	0.3
182.04956	100.0
183.05214	1.1
207.14420	0.3
219.01736	0.4
237.02806	0.6
237.87840	0.4
243.10605	0.6
307.98877	0.4
326.12155	0.5
326.18170	0.3
344.10242	25.4
344.13297	1.1
345.10510	0.8
347.14023	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	344.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.6
55.05494	2.1
56.96557	4.5
57.03439	4.1
57.55965	1.9
61.02919	5.5
67.05506	1.9
69.03436	19.5
70.02972	2.0
70.06588	7.1
70.61720	6.8
71.04982	3.3
72.08148	5.0
73.02908	6.8
74.06090	1.9
74.09408	2.0
79.54613	1.9
79.99126	1.9
81.03426	4.9
82.06580	2.8
83.04961	2.2
84.04501	5.5
84.08148	8.2
84.25408	1.9
85.02916	34.9
85.08494	2.8
86.09689	6.4
87.04457	3.5
91.03926	3.0
91.05475	4.1
95.04973	4.1
96.08131	2.3
97.02895	15.3
98.06094	2.2
98.97606	4.7
99.04461	3.3
106.06575	2.0
108.08147	10.0
109.02879	5.0
110.09701	2.4
111.04472	2.8
112.07609	5.0
116.98623	6.5
118.06550	2.9
118.35000	2.4
119.04933	13.6
120.06634	1.9
120.08108	2.7
122.06052	3.8
122.09735	2.2
123.04417	5.4
124.07590	3.4
127.03932	8.4
129.10272	3.8
131.01913	2.0
134.06088	2.5
134.99615	4.7
136.07591	46.7
137.08362	2.7
138.09138	6.3
139.03932	4.1
140.07069	2.2
145.04947	5.0
146.05975	5.7
147.04425	58.4
152.07129	4.7
154.04767	2.1
158.99709	3.0
162.05540	2.2
163.03952	2.1
164.07051	34.7
165.05478	34.0
165.06737	3.1
166.08632	12.7
177.00700	3.1
181.04730	2.5
182.05011	8.9
182.08133	56.8
188.07732	2.4
204.08617	2.0
206.76108	2.2
210.16782	2.2
212.08966	7.3
219.01804	5.5
221.05096	2.5
233.06268	2.5
237.02812	3.4
243.02039	3.6
281.13397	3.6
298.12750	4.2
322.95053	2.2
326.12128	2.9
341.46060	2.4
344.10187	4.4
344.13300	100.0
345.11548	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	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
56.96554	0.8
57.03430	1.5
61.02913	1.7
65.03931	0.8
69.03436	3.4
70.06586	2.6
70.62514	1.9
72.08134	0.9
77.94227	0.6
79.05476	1.6
81.03403	2.2
84.08139	1.8
85.02912	16.6
86.09703	2.8
91.03900	0.6
91.05483	7.0
95.04973	1.3
97.02864	3.3
99.04469	1.0
109.02884	1.0
109.10167	0.7
116.07084	2.6
119.04935	17.1
120.08085	1.1
123.04411	2.9
127.03928	2.8
129.10274	0.9
130.25017	0.6
135.04390	3.3
136.04778	3.8
136.07605	1.1
145.04958	2.9
147.04410	100.0
148.04796	0.8
152.67612	0.6
154.75731	0.6
164.07108	1.2
165.05481	47.2
177.05537	0.9
180.08789	1.4
182.08177	1.3
182.11711	0.7
201.12321	1.0
204.13763	0.6
298.12344	0.7
344.13870	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	19.7
56.96561	15.8
57.03434	8.7
65.03924	5.1
67.05509	30.5
69.03429	8.3
69.07069	31.8
69.57860	26.8
79.05502	30.2
81.03403	11.2
81.07062	33.9
83.04985	12.2
83.08598	6.0
83.72527	4.7
89.10258	4.1
91.05482	27.0
93.07064	23.0
95.04964	25.2
95.08599	23.3
97.06536	100.0
99.08114	4.6
101.77029	4.2
105.07043	19.6
107.04960	7.8
107.08587	17.4
109.06510	8.9
109.10175	11.5
112.65596	3.8
115.07583	9.4
117.06987	8.9
119.08583	17.2
121.06507	5.1
121.10111	12.1
123.08042	5.9
123.17422	4.1
131.08618	6.9
133.10161	10.9
134.99536	4.1
135.11711	7.1
143.08612	4.5
143.96347	3.9
145.10100	9.0
147.11705	5.9
151.47983	4.5
152.46498	3.9
159.08067	6.7
159.11691	10.8
177.12711	5.9
195.13852	6.0
223.13200	6.0
273.18433	4.5
291.19455	8.1
327.15744	4.7
344.25198	12.0
345.13419	12.9
345.17154	7.7
363.14792	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47306	7.4
53.03943	11.2
55.01871	20.1
55.05516	64.8
56.96557	38.1
57.03423	17.9
61.64042	8.3
66.98302	8.4
67.05507	100.0
69.03418	16.4
69.07069	54.9
69.78104	45.5
71.04976	19.7
79.05500	75.8
81.03411	25.1
81.07051	69.7
83.04967	24.6
83.08617	28.8
85.02871	10.2
91.05473	67.3
92.00877	7.8
93.07052	85.4
95.04975	46.2
95.08602	75.9
97.02882	13.3
97.06546	51.9
97.10192	22.8
98.97639	10.9
105.07018	47.0
107.04950	15.8
107.08598	78.7
109.06517	31.1
109.10177	59.8
111.04456	11.9
111.08103	17.6
117.07005	22.5
119.08580	35.2
121.06507	24.6
121.07393	8.6
121.10146	22.5
123.08073	32.4
125.09635	21.2
126.99934	10.6
129.06978	13.2
131.08588	28.2
133.06474	8.7
133.10104	17.2
134.99583	8.9
135.08090	15.1
135.11726	10.8
136.89998	7.9
137.09613	23.6
141.09047	9.5
143.08553	15.1
145.10103	35.0
147.08028	15.0
147.11668	10.2
147.62939	8.6
148.31180	7.5
149.09579	21.1
153.09088	14.4
157.10097	11.7
159.10278	11.7
159.11714	18.3
161.09671	14.4
165.09116	9.5
173.11765	18.5
177.12642	10.5
187.11192	8.5
189.09077	8.9
189.11143	9.9
201.12776	9.9
219.01807	12.5
263.20035	14.8
273.18448	43.6
291.19604	79.2
309.20493	8.3
344.24606	15.0
344.35541	9.0
345.17014	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	345.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	12.8
56.96558	18.4
57.03434	19.4
60.37589	2.5
61.02927	39.6
69.03432	63.2
69.85821	17.4
70.06596	5.3
72.08157	3.5
73.02915	45.9
81.03407	7.1
85.02905	100.0
91.03947	29.1
91.05508	3.7
95.01934	3.3
97.02885	48.6
97.21703	2.8
98.97588	4.5
99.04461	8.1
101.00884	8.5
101.02392	5.0
109.02895	7.9
111.02937	9.3
115.03952	6.6
116.98601	6.8
117.02885	3.3
119.01913	40.5
120.02084	2.8
122.07147	4.0
123.02934	13.8
127.03921	56.1
129.10248	3.3
131.01933	19.8
132.03407	4.7
133.03490	8.4
134.99657	3.7
136.07556	4.8
137.02931	8.0
138.03410	12.5
143.00163	3.8
143.01868	21.3
144.99773	3.5
145.03459	21.1
145.04938	22.3
146.99681	5.2
147.01349	3.0
147.04025	8.2
149.02962	7.5
153.03937	23.6
154.06822	3.8
155.01891	38.3
157.03482	10.2
161.01236	10.2
161.02972	37.1
162.03117	5.2
162.04474	10.3
163.04526	4.9
167.01990	4.9
169.03535	8.6
173.02963	74.0
174.03075	10.2
174.04501	19.8
174.54556	3.4
175.04539	4.6
177.00755	4.3
183.05020	56.5
183.06487	5.4
183.55231	3.8
185.01398	5.1
185.02965	33.7
186.03102	4.0
186.96872	3.2
186.99045	3.7
187.04514	12.2
189.00662	3.9
191.04002	5.6
192.05563	7.6
197.03021	10.1
199.04465	5.1
201.12408	2.8
203.03990	24.0
203.56361	3.5
204.05624	5.3
215.04060	10.6
219.01654	3.0
219.06088	7.2
221.05104	4.2
227.04089	6.9
231.01758	3.2
234.06596	75.6
234.56671	16.7
235.02974	3.7
245.05057	46.6
246.05319	5.4
255.07080	12.1
255.57254	7.0
257.05145	9.7
263.06171	12.2
264.07669	74.7
264.57745	21.4
265.07629	3.9
270.06262	4.4
275.06158	9.2
287.06189	5.6
304.28983	3.7
305.07196	14.8
312.67389	2.9
327.08426	4.2
337.96295	3.8
345.09052	18.4
345.22266	5.2
347.08392	19.2
365.09311	8.5
366.09787	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	345.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93232	1.9
53.03934	1.8
53.57068	1.7
55.05503	5.9
55.10001	1.7
55.84716	1.8
56.05018	2.8
56.96561	18.7
57.03424	2.2
57.07054	2.4
59.78835	2.0
61.02911	2.9
67.05490	6.9
69.03433	100.0
69.07057	10.7
70.06586	11.7
71.04987	7.5
71.07294	5.4
72.08142	5.5
79.05481	7.0
81.03414	4.6
81.07052	10.4
81.19976	1.9
83.04971	11.0
83.08624	3.1
84.04487	4.3
84.08146	17.3
84.32777	1.9
84.96017	3.3
85.02894	16.9
85.06538	4.4
86.03230	1.8
86.09719	13.8
87.04454	2.8
91.05474	12.3
92.80342	1.8
93.06502	2.7
93.07051	32.0
95.04965	7.6
95.08600	10.2
96.08138	2.2
97.02879	3.9
97.06545	4.5
98.97587	29.4
100.07598	4.9
103.05437	2.8
103.96619	2.2
105.07030	14.1
107.04945	6.1
107.08596	14.8
109.06534	4.4
109.10133	4.2
110.97579	2.8
111.04433	3.0
111.11749	3.2
115.02145	2.1
116.98624	24.3
119.04919	4.4
119.08601	5.1
120.05246	2.6
120.08105	4.5
121.06541	4.8
121.10149	57.0
122.09639	2.3
123.04443	5.2
123.08053	7.3
123.11694	8.9
124.07580	3.3
125.09629	9.5
127.03911	2.7
128.98628	4.6
129.10222	7.2
130.05066	2.5
131.08586	4.8
133.10170	2.6
134.99675	13.0
135.08057	33.6
135.11720	2.4
136.07544	2.1
137.05995	8.4
138.09161	5.3
139.03905	4.6
139.11188	2.6
145.05017	3.3
145.10139	3.8
146.99635	3.8
147.04425	10.4
147.05446	2.5
147.07947	2.3
147.11646	2.2
148.04742	9.5
149.05962	3.2
149.09622	37.2
153.09050	3.4
155.03763	2.3
158.99620	6.3
161.01231	3.5
161.09200	3.7
163.14767	5.2
164.01720	3.4
165.05489	7.3
165.09151	2.2
165.12657	2.6
166.05803	7.1
167.10681	40.7
171.11526	2.3
173.13283	26.3
177.00697	6.1
183.03171	4.1
183.06337	3.8
183.11302	2.6
184.09103	2.2
189.02174	8.9
189.04123	3.2
191.06944	2.5
191.14310	97.5
201.04375	6.7
205.01680	18.5
207.05444	2.9
209.15454	21.8
219.01637	2.9
219.05342	11.3
225.04280	3.2
228.11282	2.6
237.02693	9.5
243.05431	14.9
261.06400	3.1
285.06528	5.8
301.09744	2.5
309.11505	5.7
319.10617	3.8
327.12637	20.3
327.18002	2.7
345.08542	21.3
345.14917	28.1
345.19366	3.1
349.92050	2.1
363.09586	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	345.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93232	1.9
53.03934	1.8
53.57068	1.7
55.05503	5.9
55.10001	1.7
55.84716	1.8
56.05018	2.8
56.96561	18.7
57.03424	2.2
57.07054	2.4
59.78835	2.0
61.02911	2.9
67.05490	6.9
69.03433	100.0
69.07057	10.7
70.06586	11.7
71.04987	7.5
71.07294	5.4
72.08142	5.5
79.05481	7.0
81.03414	4.6
81.07052	10.4
81.19976	1.9
83.04971	11.0
83.08624	3.1
84.04487	4.3
84.08146	17.3
84.32777	1.9
84.96017	3.3
85.02894	16.9
85.06538	4.4
86.03230	1.8
86.09719	13.8
87.04454	2.8
91.05474	12.3
92.80342	1.8
93.06502	2.7
93.07051	32.0
95.04965	7.6
95.08600	10.2
96.08138	2.2
97.02879	3.9
97.06545	4.5
98.97587	29.4
100.07598	4.9
103.05437	2.8
103.96619	2.2
105.07030	14.1
107.04945	6.1
107.08596	14.8
109.06534	4.4
109.10133	4.2
110.97579	2.8
111.04433	3.0
111.11749	3.2
115.02145	2.1
116.98624	24.3
119.04919	4.4
119.08601	5.1
120.05246	2.6
120.08105	4.5
121.06541	4.8
121.10149	57.0
122.09639	2.3
123.04443	5.2
123.08053	7.3
123.11694	8.9
124.07580	3.3
125.09629	9.5
127.03911	2.7
128.98628	4.6
129.10222	7.2
130.05066	2.5
131.08586	4.8
133.10170	2.6
134.99675	13.0
135.08057	33.6
135.11720	2.4
136.07544	2.1
137.05995	8.4
138.09161	5.3
139.03905	4.6
139.11188	2.6
145.05017	3.3
145.10139	3.8
146.99635	3.8
147.04425	10.4
147.05446	2.5
147.07947	2.3
147.11646	2.2
148.04742	9.5
149.05962	3.2
149.09622	37.2
153.09050	3.4
155.03763	2.3
158.99620	6.3
161.01231	3.5
161.09200	3.7
163.14767	5.2
164.01720	3.4
165.05489	7.3
165.09151	2.2
165.12657	2.6
166.05803	7.1
167.10681	40.7
171.11526	2.3
173.13283	26.3
177.00697	6.1
183.03171	4.1
183.06337	3.8
183.11302	2.6
184.09103	2.2
189.02174	8.9
189.04123	3.2
191.06944	2.5
191.14310	97.5
201.04375	6.7
205.01680	18.5
207.05444	2.9
209.15454	21.8
219.01637	2.9
219.05342	11.3
225.04280	3.2
228.11282	2.6
237.02693	9.5
243.05431	14.9
261.06400	3.1
285.06528	5.8
301.09744	2.5
309.11505	5.7
319.10617	3.8
327.12637	20.3
327.18002	2.7
345.08542	21.3
345.14917	28.1
345.19366	3.1
349.92050	2.1
363.09586	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	345.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.4
55.05515	20.0
56.96568	8.1
57.03449	4.3
58.58910	3.7
67.05492	26.5
69.07056	19.8
69.86794	24.6
79.05480	21.7
81.03398	7.5
81.07050	44.6
83.04979	9.6
83.08602	6.2
85.02881	7.2
90.91916	3.9
91.05467	17.8
93.07024	22.8
95.04967	20.4
95.08610	20.8
97.06522	10.5
104.99277	12.6
105.07030	16.3
107.04952	17.0
107.08576	15.0
109.06556	7.6
109.10128	9.9
111.04431	6.2
111.08073	9.5
117.07026	9.4
119.08589	29.4
121.06520	5.5
121.10121	12.7
123.08051	40.1
123.78075	3.8
125.09608	11.6
129.06981	4.2
131.08589	7.7
133.10092	11.7
135.07999	5.8
137.05888	4.3
137.09567	5.2
143.08507	4.9
145.10104	16.7
147.07999	14.5
149.09593	14.1
157.10114	6.0
159.08054	4.6
159.11691	7.6
161.09624	9.2
161.13261	5.2
163.11130	5.0
171.83270	4.0
173.09550	4.6
175.11160	5.4
189.11179	8.8
262.98068	5.9
273.18521	19.8
284.29486	9.5
289.17847	6.8
291.19553	100.0
345.16772	5.2
345.23944	10.0
345.27664	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	345.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26788	0.8
53.35309	0.7
55.01876	0.9
55.05509	1.9
57.03440	1.4
57.07092	0.9
61.02924	0.8
67.05505	3.5
69.03435	10.0
69.07072	10.9
70.06586	1.5
71.08588	0.8
71.48805	1.3
73.02916	1.1
79.05486	3.4
81.03417	2.7
81.06600	1.5
81.07060	19.6
83.04985	3.3
84.08144	1.8
85.02906	8.1
85.06541	4.3
86.09708	3.9
91.05468	2.7
93.07029	3.3
95.04977	2.7
95.06065	1.3
95.08617	5.0
97.02897	2.9
97.06545	3.3
99.04440	3.4
99.08090	12.3
103.05516	0.8
105.07030	2.6
106.06561	1.2
107.04945	2.0
107.08605	2.8
109.02898	2.0
109.06514	6.6
109.10153	3.9
113.05991	1.2
114.95021	0.8
119.04945	1.0
119.08591	1.2
121.06535	1.8
121.10151	9.8
122.09619	1.4
123.08100	2.9
123.11723	4.9
125.09615	6.8
127.03926	1.8
127.07568	2.7
131.04971	1.2
133.02773	0.9
133.10245	0.9
135.04424	2.5
136.11197	1.0
137.02339	2.4
137.09602	1.6
137.13264	1.7
139.03920	0.9
139.11172	7.6
147.04445	2.7
147.11690	2.1
149.06009	1.9
149.12025	1.4
151.03922	1.0
152.07076	2.7
154.12315	1.0
155.10689	1.0
158.97388	1.4
165.05458	1.6
165.09088	1.9
165.12727	4.1
165.13945	1.3
167.07050	1.3
167.15480	1.0
183.13809	100.0
184.14182	1.4
195.06586	0.9
203.05319	1.1
204.06683	1.0
216.97859	1.0
234.98975	3.2
243.10779	1.2
252.99988	1.1
273.03934	1.1
285.11206	1.0
299.05347	2.0
301.03421	1.3
302.04123	1.4
303.04990	1.8
313.00092	2.2
313.10825	0.9
316.05661	1.3
327.05023	1.8
329.02884	2.0
331.01001	1.7
345.02554	0.8
345.06155	17.0
345.15115	23.1
345.19012	1.5
346.06360	1.3
346.15530	1.0
351.00479	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	346.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
56.05022	0.3
57.03425	0.5
58.39381	0.2
62.06089	1.5
67.05495	1.1
68.05032	0.6
69.03457	0.6
69.07067	0.7
70.06585	0.8
70.76550	0.5
71.04992	0.4
72.04501	0.9
72.08153	2.3
79.05489	1.5
80.05022	0.5
81.03407	1.2
81.07055	3.0
82.06579	14.3
83.04977	0.6
83.07333	0.4
84.04476	0.4
84.08131	0.6
85.02900	0.7
86.09704	3.4
88.03980	0.7
91.05456	0.7
92.21435	0.2
93.07041	0.9
95.04967	1.1
95.06075	1.0
95.08594	0.9
95.77283	0.3
96.04498	0.5
96.08130	21.5
97.02883	0.9
97.06511	0.3
98.06049	0.8
100.07627	3.4
100.83112	0.3
105.07046	0.5
106.06554	0.4
107.04934	0.4
107.08567	0.4
109.10156	0.4
110.06030	0.3
110.10446	0.2
114.05518	0.9
116.07073	0.4
117.66226	0.3
120.04458	0.3
121.06478	0.5
121.10142	0.5
123.08048	0.4
124.07589	35.5
125.07935	0.5
127.08700	0.7
128.43715	0.3
129.06946	0.3
131.08542	0.4
132.04419	0.4
133.10202	0.3
135.04382	0.3
137.05966	1.1
137.09525	0.3
138.05450	0.4
138.09132	1.2
142.08630	100.0
143.08994	1.6
147.05528	7.3
148.03989	1.3
149.05925	0.3
149.09619	0.4
161.09668	0.3
170.06282	0.3
172.29140	0.3
177.06654	0.5
182.08159	0.3
187.04965	0.6
187.10768	2.8
193.12178	1.3
200.11824	0.5
201.12326	1.7
205.06082	23.5
206.06451	0.8
210.14856	3.1
215.10320	0.7
226.08867	0.3
228.15999	0.5
236.16493	0.3
241.09662	0.4
254.17471	0.5
267.15909	0.6
270.12497	0.3
283.10739	0.3
284.18436	0.4
285.16885	0.7
286.11810	0.9
302.14743	0.3
302.19604	3.6
328.12781	0.4
346.13974	9.9
346.22235	6.9
347.11896	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.01875	6.4
55.05503	4.2
56.01452	1.9
56.05031	4.6
57.03425	8.1
57.30172	2.1
58.14660	2.5
61.02935	13.6
62.06089	6.3
67.05499	7.7
68.05030	4.2
69.03430	21.4
69.07057	5.7
69.80081	2.2
70.06588	8.7
70.55339	8.5
71.04990	7.2
72.04529	4.6
72.08160	20.9
73.02914	7.7
73.08501	2.7
79.05492	6.9
80.05029	3.9
81.03420	17.3
81.07076	5.7
82.06566	3.3
84.04481	6.3
84.08149	5.3
85.02908	100.0
86.06036	2.4
86.07929	2.4
86.09712	23.4
87.04467	6.0
87.10056	3.1
91.03938	8.8
91.05471	7.4
92.05033	2.8
93.07048	6.4
94.06660	2.2
95.04988	5.3
95.06110	4.1
95.08584	4.1
96.04515	7.3
97.02900	26.4
97.06510	3.3
98.06030	7.7
99.04430	4.5
100.07661	11.5
103.05473	15.5
105.06996	4.8
107.04953	6.4
107.08592	3.2
108.08138	3.3
109.02873	8.3
114.05525	4.4
116.07092	2.9
119.08537	3.9
120.04451	4.0
120.08095	16.0
121.06503	76.7
122.09624	3.4
124.07579	5.0
127.03920	24.1
129.10287	2.6
131.04889	5.5
137.05917	2.4
137.09598	3.8
138.05463	4.7
141.10254	6.5
142.08650	6.8
142.10565	3.2
145.04967	34.9
147.05521	4.2
149.05968	3.5
149.09631	4.3
156.10176	3.9
161.07098	6.8
163.06052	9.2
164.07059	2.9
166.05022	3.6
167.06995	15.5
169.05003	5.1
172.07687	2.8
182.08121	3.8
184.07364	2.6
184.09665	5.1
184.13405	3.9
186.07599	6.5
186.12456	2.9
187.12688	7.2
187.83565	2.4
193.12268	7.8
193.14104	2.3
200.11916	2.3
201.12361	17.0
210.14966	15.8
213.02040	2.3
213.10313	4.1
226.08577	3.7
228.15936	4.8
236.16377	4.7
241.09743	9.0
254.17522	6.2
260.09180	3.7
267.15915	4.2
285.16983	5.6
287.10236	6.4
301.11768	5.0
302.15863	10.1
302.19604	17.2
328.16937	3.5
328.21176	4.5
329.11597	3.7
346.12708	11.3
346.17917	5.2
346.22134	43.6
347.12585	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	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01884	3.8
56.05021	3.5
56.96569	2.5
57.03432	7.1
60.04498	2.1
61.02938	10.7
63.05590	1.9
66.71651	2.6
67.05505	4.3
69.03162	1.8
69.03439	21.7
69.07050	6.2
70.06582	8.2
71.04995	6.2
71.48415	3.2
72.08156	6.2
73.02920	5.0
74.06087	2.6
79.05463	3.4
81.03432	11.3
81.07047	5.2
83.04976	4.6
83.18990	1.8
83.82408	1.7
84.04530	2.8
84.08142	11.2
85.02911	100.0
85.31656	1.7
85.82153	1.8
86.09709	35.9
87.04475	3.7
91.03978	6.9
91.05470	5.0
93.07049	4.2
94.06544	3.6
95.04983	5.2
95.06113	3.3
95.08616	2.5
96.08147	3.0
97.02895	31.3
97.06540	2.7
98.06067	4.0
98.97591	6.1
99.04467	5.6
100.07626	7.1
107.04961	68.9
109.02873	8.9
109.06597	3.0
110.06039	2.6
110.09726	3.0
112.21913	2.1
116.07109	3.6
116.98606	3.3
117.07030	2.5
119.04945	4.6
120.08099	6.2
121.06505	7.6
122.02726	2.4
123.04482	2.6
123.08076	2.4
124.07641	2.1
125.05970	3.9
127.03920	19.7
129.10262	2.9
131.11839	2.3
134.09653	3.8
136.07584	4.3
136.11201	3.9
137.06006	5.3
138.09128	7.8
145.04974	34.6
146.09689	14.4
147.04401	6.0
147.05563	5.5
148.07539	2.7
149.04930	3.7
149.05991	26.4
152.10724	3.0
163.03958	3.2
163.05978	5.1
164.10728	14.0
165.05492	3.6
166.08653	7.2
167.07048	12.8
169.06497	2.4
173.05965	4.6
176.07095	2.1
177.00731	2.6
180.08719	13.6
182.08177	6.1
182.11766	13.3
184.09755	10.3
184.13461	3.0
184.77167	2.6
187.07631	2.6
199.18083	8.1
199.75705	2.1
210.14873	4.1
215.07069	6.1
221.41173	1.8
227.06769	2.3
227.17532	5.8
233.08212	5.6
237.02863	3.5
240.91815	2.3
248.18745	1.9
249.87511	2.0
275.09302	2.7
292.14478	3.8
301.12418	3.7
302.19757	2.5
310.15863	3.3
328.16650	10.8
332.12781	2.2
346.17963	41.4
346.22211	8.1
347.12921	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	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
54.00126	1.3
55.05498	2.2
56.05029	1.6
56.96564	3.8
57.03440	3.5
61.02920	3.5
63.38091	1.5
67.05492	1.6
69.03429	8.6
69.07051	1.6
70.06596	13.4
70.23816	5.4
71.04977	2.2
72.08157	10.6
73.02870	2.0
79.05479	5.0
80.05013	1.8
81.03418	5.1
81.07056	2.7
83.04981	2.7
84.04538	2.8
84.08141	6.0
85.02906	26.1
86.09711	20.6
91.03976	1.6
91.05473	6.9
93.05769	2.3
93.07033	8.3
94.06570	3.9
95.04957	3.1
95.06081	3.0
95.08616	2.6
96.08120	1.6
97.02902	8.7
97.06530	2.5
98.97583	3.8
100.07628	1.9
102.09180	9.7
103.05466	5.0
105.07034	2.2
107.04959	5.2
108.08118	60.0
109.02885	3.7
109.06551	1.6
110.06016	2.2
110.09698	3.7
116.07085	4.4
116.98688	2.1
119.04949	2.8
120.08102	20.2
121.06551	1.9
122.09659	3.3
123.04450	2.3
123.11648	2.4
124.07578	6.6
126.09157	73.4
127.03928	5.4
129.10245	2.0
130.06520	2.4
134.05869	1.7
136.07550	5.9
137.05946	4.3
138.09154	13.5
145.04968	5.2
146.09619	4.9
147.04390	4.6
148.07568	71.4
149.05995	1.8
150.09111	3.3
153.05484	2.1
154.08600	5.9
156.10191	11.8
164.10719	8.0
165.05440	2.0
166.08638	83.1
167.07033	20.5
167.09038	2.9
168.07829	4.9
168.10266	2.0
179.46468	1.6
182.11812	2.7
184.09691	100.0
185.09988	2.3
199.18088	4.2
201.12369	2.1
209.51500	1.7
229.11914	1.8
328.13675	3.5
346.14716	2.4
346.17691	7.4
346.22137	4.9
347.08511	14.8
347.12369	3.0
347.16748	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.01875	6.4
55.05503	4.2
56.01452	1.9
56.05031	4.6
57.03425	8.1
57.30172	2.1
58.14660	2.5
61.02935	13.6
62.06089	6.3
67.05499	7.7
68.05030	4.2
69.03430	21.4
69.07057	5.7
69.80081	2.2
70.06588	8.7
70.55339	8.5
71.04990	7.2
72.04529	4.6
72.08160	20.9
73.02914	7.7
73.08501	2.7
79.05492	6.9
80.05029	3.9
81.03420	17.3
81.07076	5.7
82.06566	3.3
84.04481	6.3
84.08149	5.3
85.02908	100.0
86.06036	2.4
86.07929	2.4
86.09712	23.4
87.04467	6.0
87.10056	3.1
91.03938	8.8
91.05471	7.4
92.05033	2.8
93.07048	6.4
94.06660	2.2
95.04988	5.3
95.06110	4.1
95.08584	4.1
96.04515	7.3
97.02900	26.4
97.06510	3.3
98.06030	7.7
99.04430	4.5
100.07661	11.5
103.05473	15.5
105.06996	4.8
107.04953	6.4
107.08592	3.2
108.08138	3.3
109.02873	8.3
114.05525	4.4
116.07092	2.9
119.08537	3.9
120.04451	4.0
120.08095	16.0
121.06503	76.7
122.09624	3.4
124.07579	5.0
127.03920	24.1
129.10287	2.6
131.04889	5.5
137.05917	2.4
137.09598	3.8
138.05463	4.7
141.10254	6.5
142.08650	6.8
142.10565	3.2
145.04967	34.9
147.05521	4.2
149.05968	3.5
149.09631	4.3
156.10176	3.9
161.07098	6.8
163.06052	9.2
164.07059	2.9
166.05022	3.6
167.06995	15.5
169.05003	5.1
172.07687	2.8
182.08121	3.8
184.07364	2.6
184.09665	5.1
184.13405	3.9
186.07599	6.5
186.12456	2.9
187.12688	7.2
187.83565	2.4
193.12268	7.8
193.14104	2.3
200.11916	2.3
201.12361	17.0
210.14966	15.8
213.02040	2.3
213.10313	4.1
226.08577	3.7
228.15936	4.8
236.16377	4.7
241.09743	9.0
254.17522	6.2
260.09180	3.7
267.15915	4.2
285.16983	5.6
287.10236	6.4
301.11768	5.0
302.15863	10.1
302.19604	17.2
328.16937	3.5
328.21176	4.5
329.11597	3.7
346.12708	11.3
346.17917	5.2
346.22134	43.6
347.12585	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	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70960	6.7
52.59428	6.3
55.05497	25.3
57.07084	6.6
58.41161	5.9
61.84205	6.3
67.05505	44.6
69.07068	23.1
70.62936	6.5
70.63265	16.0
72.08176	6.8
79.05474	19.8
81.07044	25.7
83.08629	13.3
85.06519	7.2
91.05483	11.2
93.07029	24.3
95.08607	17.3
97.06525	27.0
97.10160	12.6
105.07026	20.4
107.08588	29.1
109.06577	8.2
109.10167	51.7
119.08589	16.0
125.09671	14.6
131.08562	11.0
133.10121	15.4
145.10121	9.5
147.11626	10.1
149.13269	7.0
165.12773	6.7
173.11751	100.0
189.11171	15.0
195.13802	14.9
250.41061	7.3
255.20944	6.8
265.25058	7.3
275.20026	36.2
293.20734	10.4
311.87790	6.8
314.46536	7.0
346.10275	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	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.0
55.05513	58.7
56.96558	18.0
57.03431	9.7
57.07073	11.7
67.05194	7.0
67.05506	100.0
69.03422	10.0
69.07073	37.6
69.72365	18.3
69.72778	20.1
71.04984	14.8
73.42442	5.7
79.05483	54.5
81.03386	15.7
81.07061	54.7
83.04955	22.3
83.08607	29.9
85.06547	8.5
85.10157	6.4
91.05486	38.3
93.07053	46.6
94.03967	6.7
95.04961	20.6
95.08618	71.3
97.06532	20.7
97.10155	27.2
105.07018	20.7
107.08594	39.1
109.02898	6.1
109.06512	11.3
109.10155	41.5
111.04419	11.6
113.09645	9.0
119.08575	20.6
121.10152	51.5
123.07978	5.8
125.09624	24.3
126.10043	6.2
131.08528	16.2
133.10129	13.0
135.11653	15.6
137.09647	7.6
139.11148	25.4
144.32819	6.5
145.10092	9.4
147.11659	8.5
149.09631	17.9
153.09189	5.7
157.10054	8.8
159.11668	6.6
163.11151	10.1
167.10709	11.0
173.11736	46.6
185.11696	11.8
191.10638	11.2
193.12314	12.0
209.11688	48.1
229.07457	11.6
233.10666	7.0
257.60056	6.8
275.19940	9.9
293.21057	16.8
301.14124	30.2
346.25931	16.0
346.33188	7.3
347.18372	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	347.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.9
54.51831	6.7
55.15544	6.2
56.05024	17.8
56.96559	20.4
57.03430	14.8
58.06593	9.9
60.04522	37.2
69.03436	16.0
70.31221	29.3
70.54324	7.0
72.08156	16.4
72.93796	7.7
73.79202	7.2
74.06076	38.6
74.75301	6.7
81.03426	10.8
81.86371	6.6
83.06103	52.7
84.04492	59.4
84.08140	25.6
85.02896	34.6
86.09701	100.0
87.04523	6.9
87.05592	21.0
91.05482	9.2
97.02880	11.8
98.06033	12.4
98.97588	19.5
101.07147	12.3
116.98635	22.1
126.05492	41.5
127.03912	9.2
129.06589	17.2
129.10222	9.4
132.10205	51.3
132.95914	7.0
134.99669	8.5
136.06190	18.9
136.48482	7.0
138.05518	9.5
143.01839	6.8
143.08151	27.3
146.99585	12.8
147.05571	16.4
153.06642	9.6
160.63626	6.7
170.09268	23.2
171.07681	29.2
173.03059	7.9
173.13033	6.8
177.00735	6.4
184.04878	7.5
185.01126	7.6
185.03304	12.4
188.10313	32.7
193.41508	6.6
197.12918	9.7
198.08765	22.0
199.07002	8.7
206.25427	6.8
216.09781	42.3
219.01794	11.4
219.13403	10.1
221.05092	16.1
234.99083	13.7
237.02895	24.5
265.57706	9.0
284.15948	13.9
287.09763	9.9
305.10831	15.6
329.18164	53.8
330.16516	12.8
347.06567	83.5
347.12888	66.7
347.16623	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	347.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	10.9
57.03433	5.1
61.02931	5.8
64.42519	3.4
69.03423	4.6
71.49087	5.4
72.08140	4.1
73.02923	7.7
81.03402	4.0
84.08148	8.3
85.02921	24.9
86.09692	4.7
97.02884	9.2
98.97574	10.5
101.00880	7.9
102.24551	3.4
108.91979	4.2
119.01924	40.3
127.03905	8.0
128.98593	6.2
129.10246	4.8
131.01953	6.1
133.03409	3.5
143.01892	63.6
161.02960	100.0
173.02985	9.6
176.06114	6.6
185.01204	4.0
185.04066	5.0
185.06546	3.8
186.04483	5.3
203.04016	43.0
204.04138	3.5
221.05096	4.9
257.05966	9.5
266.06537	5.8
287.09756	8.1
320.84619	3.6
347.06192	81.6
347.13007	20.8
347.16815	25.4
351.10999	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	347.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05519	0.5
56.05039	0.5
56.96561	1.2
57.03416	1.0
57.07089	0.5
60.04520	1.6
61.02913	1.5
69.03426	2.9
69.07066	0.6
69.48441	0.4
70.06591	5.0
71.43008	0.6
72.08136	1.4
73.02908	0.7
74.06085	0.7
77.00896	0.6
78.17606	0.5
81.03403	1.7
82.06575	0.5
82.99855	1.4
83.06098	2.0
84.04491	2.2
84.08151	2.3
85.02906	7.0
86.09702	2.5
95.04909	0.4
97.02884	2.5
98.06040	0.6
98.97575	2.4
99.02799	0.5
99.04443	0.7
101.00875	8.7
101.07104	0.8
108.08095	1.3
109.02892	0.7
109.08427	0.7
113.03487	8.4
116.98624	1.4
119.01920	29.6
120.02023	0.7
123.04435	1.7
126.05495	0.5
126.09160	0.6
127.03876	1.5
128.98642	0.9
129.10243	1.2
130.04993	2.1
131.01857	1.1
134.99635	0.8
136.06174	5.0
137.02971	4.2
137.06015	0.9
137.07030	0.6
138.05486	1.9
143.01891	60.1
144.02020	1.2
145.04997	0.7
147.07626	1.8
149.02914	0.6
155.01852	0.8
157.09769	1.2
158.99631	0.8
161.02953	100.0
162.03171	1.9
167.05635	0.5
167.07021	1.4
167.11806	1.4
169.04829	0.7
169.06093	2.5
173.02948	2.3
173.12900	1.4
175.04465	0.6
177.00677	0.9
179.04018	0.9
184.04565	2.7
185.06699	0.7
185.09224	10.4
185.12843	1.6
197.06633	0.8
203.03998	35.9
204.04196	0.6
209.06548	0.8
215.06548	3.0
219.01813	1.1
221.05031	2.0
227.07610	1.3
237.02763	0.8
257.09216	0.6
263.06250	0.7
287.09763	12.9
305.10602	0.5
346.31250	0.5
347.12784	6.5
347.17554	1.0
347.22336	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	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.66732	0.6
52.52610	0.7
55.01873	2.5
58.23215	0.5
60.74952	0.5
65.03938	4.0
67.05504	6.4
68.05021	0.7
69.03416	1.1
69.07056	0.8
69.24420	3.1
69.24849	2.1
70.06582	0.7
71.04986	0.9
78.33395	0.5
79.05459	0.6
81.03422	0.8
81.07069	1.2
82.06581	1.8
83.04984	0.8
84.08130	2.7
85.02923	0.7
86.09676	0.7
91.05474	3.5
92.05006	12.9
94.06554	1.3
95.04964	2.0
95.08576	0.6
96.04482	1.6
96.08094	1.6
97.02866	0.7
97.08430	0.8
103.05443	0.7
107.04958	1.0
108.04485	0.9
109.10154	1.1
110.06049	1.5
111.04435	0.8
115.93262	0.6
120.04465	6.3
120.08052	0.6
121.10062	0.7
122.06021	2.3
123.06787	0.6
124.07599	2.5
125.07936	1.3
129.07028	0.6
129.10222	0.6
134.06030	0.8
136.07564	1.6
137.05991	1.4
138.05493	9.6
138.09090	0.9
142.08636	6.9
143.08995	4.7
145.05298	0.5
146.06033	1.5
147.05469	0.6
148.03932	1.0
148.05865	0.6
149.05939	1.4
151.07460	0.6
153.06970	1.2
153.77853	0.5
156.87849	0.6
158.06041	0.9
158.09596	0.6
162.05420	1.0
164.07050	7.5
166.05008	9.2
167.08522	0.7
169.08835	0.8
170.09683	2.7
171.09152	0.7
172.07602	0.9
176.07024	1.4
182.08130	6.5
183.06847	0.7
184.07576	1.5
184.11243	1.2
185.07004	0.8
185.10727	1.1
186.09137	0.9
187.08698	0.7
196.07564	1.4
197.08398	1.0
198.09163	10.4
199.08597	4.5
200.09451	1.8
201.10204	1.4
205.06085	1.5
206.06459	1.6
208.06050	1.2
210.09195	1.3
212.10661	2.0
213.06609	2.2
213.10286	7.3
214.08701	2.1
214.10948	1.3
215.08156	1.6
223.08534	1.0
224.07082	1.2
226.08684	13.9
227.08113	5.2
227.11639	2.5
228.08919	1.1
229.09633	1.6
231.11302	0.7
237.10185	0.6
238.08609	1.2
239.08281	0.8
239.11819	0.7
240.10329	4.2
241.09746	25.7
242.08116	1.3
242.10454	3.6
244.09669	0.7
251.08160	0.6
255.11310	5.0
256.09637	2.1
257.09177	0.6
258.11304	1.4
259.10776	4.7
260.11612	1.6
265.09671	1.7
266.07770	1.1
267.11212	2.9
268.09772	6.6
269.09204	7.5
270.07507	0.7
271.10931	0.6
271.60355	0.6
273.11780	1.3
283.10776	6.1
284.09146	2.6
286.10760	4.7
287.10266	15.5
293.09204	1.7
301.11813	14.4
311.10281	5.2
315.09436	0.8
319.12909	5.4
329.11328	5.4
330.09961	0.8
347.12347	100.0
348.12753	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	347.1829
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
55.05500	0.7
56.01810	0.4
56.96566	0.9
67.05492	0.8
69.07055	0.9
71.01855	0.9
79.05495	0.8
80.43629	0.4
81.03429	0.5
81.07063	1.2
91.05476	1.2
93.07045	1.1
95.04944	0.8
95.08621	1.2
96.79691	0.4
97.06528	1.1
98.97598	0.4
105.07040	1.4
107.08595	1.0
109.06522	0.4
109.10144	0.5
119.08533	0.8
121.06584	0.4
135.11688	0.5
146.08836	0.4
147.11606	0.6
171.11723	0.3
195.10043	0.5
241.16154	0.4
287.20251	0.5
329.17325	1.4
347.18283	100.0
348.18597	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	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05515	0.6
57.07061	2.4
67.05481	1.1
69.07069	0.6
76.53076	0.5
76.92730	0.6
81.07034	0.9
91.05526	0.7
95.08591	1.3
107.12727	0.5
109.10175	0.6
119.08589	0.9
130.71260	0.5
133.10085	0.6
135.08009	0.8
136.06105	0.6
149.02313	1.4
173.13503	0.6
193.03310	0.6
193.04930	3.3
224.65648	4.8
229.24117	0.6
244.00610	0.6
317.20801	1.2
347.21912	100.0
347.77686	0.7
348.22266	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	348.0704
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
53.03922	0.1
54.05385	0.1
55.01859	0.1
55.05496	0.2
56.05022	0.2
56.96559	0.6
57.03434	0.8
60.04516	0.4
61.02929	0.3
68.66943	0.1
69.03429	1.8
69.07046	0.2
70.06580	0.4
70.75268	0.5
71.04985	0.2
72.08145	0.4
73.02926	0.2
74.06070	0.5
79.05534	0.1
81.03403	0.3
83.06069	0.2
84.04487	0.5
84.08129	0.6
85.02902	8.3
86.09708	1.4
87.04459	0.1
88.03975	0.2
94.04050	0.4
95.04969	0.3
97.02260	0.1
97.02885	2.7
98.97625	0.6
98.98460	2.8
106.05042	0.2
109.02917	0.3
109.05094	0.1
111.13147	0.1
115.03924	0.4
116.98615	0.3
116.99479	0.1
117.04932	0.1
118.95770	0.1
119.01843	0.2
119.03530	1.1
120.08082	0.2
122.06036	0.2
123.04424	6.2
125.03591	0.1
126.05521	0.3
127.03918	0.4
128.98564	0.2
129.06560	0.2
129.10309	0.2
134.99640	0.2
136.06180	100.0
136.99974	0.5
137.04587	1.3
137.06537	0.5
143.01918	0.2
144.02019	0.2
144.06552	0.7
145.04962	0.5
146.99701	0.2
147.04375	0.2
151.03893	1.5
158.99693	0.1
161.02873	0.3
162.03107	0.5
164.99484	2.5
168.06541	0.3
169.04988	2.6
173.12804	0.2
176.08220	0.6
177.00731	0.1
180.08760	0.2
181.49492	0.1
186.11168	0.2
188.08157	0.8
189.08723	0.6
197.12851	0.1
201.12384	0.1
203.09308	0.3
204.04330	0.1
213.01495	0.8
214.06082	0.5
215.13857	0.3
217.05319	0.1
217.08186	0.5
219.01805	0.2
237.02820	0.3
243.13329	0.1
259.08411	0.2
280.07141	0.2
303.10751	0.6
309.08890	0.1
330.06024	0.3
348.07013	7.4
348.13004	1.7
348.23425	0.1
349.06863	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	348.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01860	0.6
55.18626	0.3
56.05026	0.4
56.96553	1.2
57.03425	1.6
58.98141	0.3
60.04519	1.3
61.02919	1.5
61.35154	0.3
67.02987	0.3
67.05499	0.9
69.03432	4.8
70.06564	1.2
71.04980	0.6
71.18055	0.8
71.18398	0.6
72.08144	1.0
73.02918	0.6
73.08511	0.4
74.06076	1.5
76.49649	0.3
79.95228	0.3
81.03413	1.4
83.04977	0.5
84.04487	1.6
84.08140	1.9
85.02908	17.9
85.07600	0.4
86.09716	3.4
86.64471	0.4
87.04445	0.5
88.04014	0.4
90.66274	0.4
91.03941	0.8
91.05481	0.3
94.04059	0.5
95.04971	1.2
97.02309	0.6
97.02894	6.5
98.97556	2.5
98.98460	2.0
99.04466	0.5
104.05331	0.4
106.05025	0.7
109.02871	1.4
110.97623	0.5
115.03874	0.4
116.98608	1.6
119.01926	1.2
119.03548	1.2
120.02018	1.1
122.06019	0.4
123.04433	36.8
126.05492	1.4
127.03895	2.1
129.06590	0.5
130.05040	0.5
132.10193	0.8
134.99628	0.7
136.06186	100.0
137.00000	0.7
137.04660	0.7
137.05797	0.9
137.06668	0.7
138.05472	0.6
141.26830	0.3
143.01880	1.9
144.02002	2.1
144.06584	2.3
145.04956	2.4
147.04388	0.6
150.05589	0.6
151.03903	10.9
158.99654	1.1
161.02979	3.0
162.03104	4.8
163.02756	1.0
164.99510	2.2
167.07022	0.5
168.06570	0.6
169.04968	19.6
170.05228	0.6
176.08266	0.9
177.00696	1.3
180.08614	1.2
185.02969	0.4
185.09204	0.6
186.07581	1.2
186.09538	0.4
186.11295	1.2
187.14397	0.4
188.08215	1.6
189.08765	1.5
197.12904	0.4
203.04062	0.8
204.04187	1.9
214.06168	0.5
215.14104	0.5
217.08232	1.4
219.01663	0.5
237.02818	1.5
258.07645	0.8
259.08334	1.1
259.17999	0.3
262.54776	0.4
288.09955	1.1
303.10944	0.6
321.08847	0.6
330.06012	0.6
348.07065	7.4
348.13242	4.7
348.98886	0.5
349.10550	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	348.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84033	2.9
55.01873	3.5
55.05510	27.8
56.96561	6.8
57.03428	9.6
57.65118	2.9
59.04988	4.0
67.05509	65.3
69.03405	3.3
69.07049	14.1
69.23785	4.3
69.24191	27.1
71.04993	2.8
71.08634	7.4
79.05482	20.2
81.07060	36.0
83.04992	6.3
83.08612	14.8
91.05499	14.4
91.44727	2.9
93.07053	23.2
95.04967	5.3
95.08613	12.8
97.06528	9.3
97.10169	13.4
99.08094	4.8
105.07034	9.9
107.04961	3.3
107.08597	11.5
108.39355	2.8
109.06510	4.1
109.10166	57.3
111.08064	7.1
117.07011	5.2
119.08573	16.4
121.10153	9.5
123.11665	3.4
125.09654	6.4
131.08603	3.5
133.10120	11.0
135.11670	5.7
137.09615	5.9
139.88385	2.8
145.06519	4.6
145.10129	7.7
147.11697	7.1
149.09633	4.1
149.13309	5.6
151.11143	4.0
155.10686	11.3
159.11653	4.6
161.13251	4.7
163.11206	3.2
173.05994	5.3
173.11742	100.0
173.13240	6.6
189.11205	12.0
194.65710	3.6
195.13872	4.7
213.14920	5.0
232.67033	3.3
235.09534	3.3
239.18021	3.7
275.20166	5.2
277.21637	28.1
295.22754	10.0
296.46191	3.3
307.26440	3.2
348.18402	15.8
349.16180	12.9
349.19870	16.2
349.23828	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51515	5.2
56.96556	21.9
61.02921	5.4
65.19506	4.6
67.05499	4.8
69.03417	5.1
69.07062	7.0
70.06569	6.7
70.46890	9.2
70.47241	17.5
72.08171	7.8
81.07067	7.0
83.96260	7.1
84.04508	5.3
84.08167	7.4
85.02904	21.6
86.09704	8.8
89.00424	5.7
94.10264	5.4
97.02892	13.1
98.97588	32.5
105.17880	5.7
109.02869	5.3
116.15267	6.5
116.98622	23.7
118.57246	5.4
119.01929	14.8
120.08173	5.6
128.98599	18.1
130.06554	5.9
132.95859	6.5
134.99660	14.2
143.01921	12.4
145.01727	10.9
146.99657	18.6
147.05515	9.5
158.99704	9.2
160.97476	5.4
161.01225	13.3
161.02946	27.4
163.02806	12.1
163.08151	6.4
169.03244	7.1
169.09799	7.3
177.00758	11.4
187.08202	8.6
189.00720	5.9
217.09386	7.8
219.01767	31.3
221.04887	7.2
237.02789	67.5
289.05920	13.2
289.11368	6.2
290.99200	5.4
307.07019	34.1
307.12344	18.1
314.10397	5.4
348.99213	12.5
349.08783	100.0
349.14685	41.7
367.08893	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	349.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	1.0
69.03433	1.3
70.06607	0.7
71.26279	1.3
80.75688	0.5
81.03408	0.6
81.07055	0.9
85.02927	3.6
85.07667	5.2
87.04482	0.6
97.02892	1.5
98.97579	4.7
112.07589	0.6
116.98620	1.7
119.01904	1.0
121.01659	1.7
125.00008	0.5
127.03951	0.9
130.91364	0.5
134.99677	0.7
136.06171	1.0
145.01591	3.9
145.04985	1.0
158.99600	3.0
161.03030	0.7
163.02667	8.2
165.76857	0.6
167.07126	0.7
177.00702	3.2
186.04366	1.5
187.04817	7.2
187.10832	0.7
204.05478	1.1
205.03871	2.3
217.55826	0.6
219.01796	2.3
222.16914	0.6
223.05522	1.0
226.06032	1.6
228.05443	1.0
237.02824	1.1
246.06776	0.6
259.08411	0.8
266.98483	0.5
289.05954	1.1
307.06940	0.7
312.28946	0.6
321.08588	1.0
342.07898	0.6
349.10071	100.0
350.10440	1.0
363.09622	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	349.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01868	0.7
55.05495	1.6
56.96565	26.1
58.38381	0.5
67.05192	0.5
67.05483	3.0
68.22505	0.6
69.03420	0.5
69.07067	3.3
70.54740	2.2
71.95264	5.4
72.85744	0.5
72.96012	0.6
74.97606	1.2
79.05482	2.6
80.05820	0.6
81.03416	0.6
81.07056	2.8
82.62756	0.5
83.08604	0.9
83.26777	0.6
84.96004	2.4
91.05466	2.2
93.07037	2.4
95.04947	1.0
95.08596	2.1
97.06470	0.6
97.96803	1.5
98.97572	2.2
102.97087	0.7
105.06995	1.6
107.04958	0.6
107.08586	1.7
109.10146	1.1
110.97565	9.3
111.98450	0.7
112.99143	1.0
113.99909	1.0
115.00693	0.6
115.97826	0.9
116.98605	2.1
119.08582	1.5
121.10111	1.1
123.01227	0.8
123.08076	1.2
124.99081	1.4
128.98605	18.8
129.99370	3.3
131.00206	1.2
131.08531	1.0
132.00868	0.6
133.01799	0.7
133.10130	0.6
134.99640	1.4
141.99405	1.3
142.11440	0.5
143.00157	3.8
145.01756	0.9
145.10143	1.1
146.99648	16.6
147.11739	1.3
148.00456	7.6
149.01212	1.4
149.09550	0.9
152.00116	0.7
153.02304	0.7
155.00150	1.1
155.03801	1.3
157.01688	1.4
159.03230	0.7
159.11586	0.7
160.00462	4.0
161.01213	6.5
161.98364	1.1
163.37865	0.7
165.00713	3.2
165.02051	0.9
166.01537	2.0
167.03848	0.6
169.01633	0.6
170.01248	1.1
171.02039	0.8
171.03265	3.3
173.01234	2.4
173.04834	1.1
175.02786	2.0
177.04375	0.9
178.01524	1.4
179.02254	2.0
179.03737	1.1
179.14313	1.5
179.99586	0.7
182.99612	0.8
184.04045	1.9
185.01222	1.1
185.04836	3.9
186.02016	1.5
187.02771	2.2
187.06395	0.7
189.04356	6.4
190.01459	1.2
193.03773	0.9
197.01250	4.9
197.04854	2.1
199.02803	0.6
199.06419	7.6
200.03613	0.7
201.00726	3.8
201.04381	2.6
201.07922	1.0
202.05180	3.3
203.02252	1.2
203.05899	7.6
204.03053	1.8
204.98859	0.7
205.07516	1.2
207.05533	0.9
209.04884	1.4
210.02072	0.6
211.02751	1.4
211.06416	1.6
213.04393	0.9
213.07967	2.6
215.02281	12.4
215.05777	1.5
216.02953	0.6
217.03957	1.2
217.07457	10.9
218.04630	0.9
219.09026	0.7
221.04936	1.2
221.06853	0.9
222.07852	0.7
223.02765	0.9
223.06392	0.8
223.08418	1.4
225.04280	0.9
227.05888	4.3
228.06633	0.7
229.03807	1.6
229.07458	9.1
230.04599	1.1
230.08037	0.7
231.09068	3.6
232.09521	0.8
233.03323	1.6
237.04268	0.9
238.03787	1.0
239.05890	8.1
240.06682	4.2
240.08870	0.7
241.03635	0.7
241.07468	2.2
243.09084	1.3
244.06197	2.7
245.06992	4.4
247.08528	8.8
252.09055	1.3
257.04276	1.2
257.06970	22.7
258.07751	21.6
259.08490	3.5
262.07199	1.3
263.07953	0.9
272.05652	1.3
275.08057	7.3
275.20151	1.1
276.08780	14.3
280.08835	1.7
281.09442	2.9
289.14651	0.8
290.06732	2.1
291.19577	0.7
298.10797	1.1
299.10608	0.7
307.15753	2.5
313.14801	1.4
325.16904	0.8
331.15775	22.7
347.15140	0.7
349.16852	100.0
350.17230	3.4
367.17920	61.3
368.18146	1.5
372.18423	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	349.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.6
55.05510	7.3
56.96564	71.3
57.03428	5.2
64.77927	0.9
65.03924	1.6
67.05199	1.3
67.05503	14.2
69.03419	1.1
69.07069	14.5
71.32578	1.3
71.95270	7.4
72.96015	2.2
79.05492	11.5
81.07047	16.2
83.04955	3.9
83.08591	2.9
84.96019	2.1
85.06531	1.9
91.05468	13.1
92.98574	1.3
93.07044	15.0
94.81388	1.1
95.04957	5.3
95.08607	9.3
97.06493	3.3
97.96783	1.3
98.90929	1.3
98.97581	2.1
101.28636	1.0
105.07031	14.1
107.04935	2.9
107.08585	8.3
109.06491	4.2
109.10133	5.5
110.97520	2.4
111.08020	1.2
115.97849	1.9
116.98602	1.7
117.06989	4.0
119.08587	8.0
121.06460	4.8
121.10139	5.5
123.01192	1.6
123.08005	3.7
123.11700	1.9
128.98593	6.1
129.06908	1.7
131.08546	6.1
133.01662	1.7
133.10104	8.4
134.99557	1.6
135.07988	3.0
135.11670	3.1
137.02708	1.5
141.02182	3.1
143.08540	1.4
145.10133	6.1
146.99638	11.1
147.11647	6.1
149.09572	3.0
149.13214	2.4
151.11185	2.4
155.03712	3.8
157.10022	1.6
159.03267	2.5
159.11647	3.5
161.01173	1.2
161.09653	1.5
161.13220	1.8
163.11095	3.0
165.00729	2.5
167.03752	1.7
169.05345	2.2
171.03203	3.2
173.04832	4.9
173.09615	1.5
173.13284	2.7
175.02798	1.7
177.12569	1.3
179.14311	1.7
181.05344	2.7
185.04787	3.6
187.02773	1.5
187.06364	2.4
189.04288	3.5
191.05798	2.0
191.14253	1.5
195.06836	2.7
197.04706	1.7
199.02797	1.4
199.06406	12.3
201.07924	4.6
201.12675	1.3
203.05896	7.0
205.07407	3.5
207.13821	1.3
211.06360	10.0
211.14827	1.1
213.07974	24.9
217.07458	22.3
219.03239	1.3
219.09041	3.3
219.13852	1.7
222.07921	1.2
223.06358	1.7
223.08403	4.1
225.07924	4.7
229.07457	55.5
229.19392	1.5
231.06787	2.5
231.09029	42.7
235.08441	1.7
235.52937	1.3
236.09496	4.1
237.07928	2.1
239.09482	2.5
239.17970	2.1
240.08934	1.7
243.09039	17.7
245.10503	2.1
247.08525	46.9
251.09445	1.8
252.09016	6.1
253.11005	1.9
254.10542	3.9
255.09021	14.6
257.19040	5.7
261.10095	17.3
262.08765	1.5
266.10562	2.4
267.08932	2.0
268.09253	1.5
269.10358	1.9
270.10080	2.6
273.10089	12.0
275.20065	37.1
278.10461	1.4
280.09705	3.6
285.10138	2.1
286.10452	1.7
293.21069	2.5
297.13751	1.4
298.10904	1.7
303.16272	3.1
313.14487	1.5
321.17209	1.4
331.15784	27.8
349.16690	100.0
349.23676	11.5
349.27277	3.1
350.17120	1.8
367.17905	40.8
372.18234	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
56.96567	33.2
57.03426	0.6
64.37074	0.5
66.15342	0.5
67.05490	1.8
69.07072	5.9
70.84197	1.2
71.95273	2.8
72.96030	0.8
74.97597	1.2
79.05495	2.6
81.07036	1.7
81.36514	0.5
84.96023	1.2
91.05453	1.1
92.98644	0.5
93.07043	1.2
95.08579	1.1
97.96798	0.9
98.97569	1.9
105.00144	0.9
105.07005	1.4
105.99015	0.5
107.04922	0.9
107.08590	1.8
109.06495	0.8
109.10140	0.7
110.97540	2.9
115.00672	0.8
115.97827	0.7
116.98598	1.8
119.08540	0.7
121.10157	0.7
123.01173	0.8
128.98596	6.7
129.02240	0.5
131.08522	0.7
134.99649	1.4
137.02721	1.5
139.00682	0.7
140.98459	0.8
141.02220	1.2
143.00096	1.1
145.01697	0.6
145.10104	0.6
146.99663	6.6
147.03293	1.0
149.01253	0.9
151.00632	0.8
153.02234	0.8
155.03813	2.0
157.01718	0.9
159.03314	1.2
161.01199	2.3
163.02690	0.5
165.00711	1.3
167.03731	1.2
169.01711	2.1
171.03316	2.4
173.04822	1.7
174.98944	0.9
175.02763	1.1
177.04396	0.9
179.02310	1.0
179.03784	0.6
179.14311	1.0
181.05376	1.3
183.03212	0.7
183.07121	0.6
185.01201	0.8
185.04836	2.9
187.02737	1.5
187.06294	1.0
189.00529	0.7
189.04317	3.4
191.05893	0.8
193.05339	1.0
197.04851	1.6
199.02713	0.9
199.06435	5.9
201.04346	1.1
201.07898	1.0
203.05893	4.2
205.07446	4.0
209.04897	0.7
210.02013	0.9
211.02789	0.6
211.06340	2.5
213.07874	1.2
215.05869	0.9
217.07458	11.7
219.06929	0.8
221.06735	0.7
223.02728	2.5
223.06537	0.8
223.08374	2.8
225.07928	2.8
227.05919	1.0
227.09547	1.1
229.07472	3.0
231.08994	1.9
237.04387	2.5
237.07935	3.2
239.09575	2.2
241.03784	1.2
241.07416	1.0
243.09033	4.3
245.10684	1.0
247.08553	0.8
251.05901	0.5
251.09491	2.5
253.11227	2.5
255.09033	13.7
257.10599	3.0
257.18976	0.7
259.12128	0.9
261.10098	1.6
262.08698	1.3
264.44434	0.7
269.10562	3.1
271.12122	1.9
273.10065	10.6
275.20065	1.1
277.10907	1.1
278.10452	1.2
279.09091	1.2
280.09830	4.8
281.10370	0.9
287.11765	0.6
295.12137	0.8
296.11813	0.6
297.10080	1.8
298.10794	2.1
303.16281	1.3
307.12387	1.0
307.15717	1.0
313.14676	0.5
319.15887	0.6
321.17276	1.6
331.15771	39.7
349.16815	100.0
350.17194	2.2
367.17917	43.5
368.18604	0.5
372.18481	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	349.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.01870	6.8
55.05510	15.9
56.96564	43.8
57.03436	17.4
57.07048	3.2
61.00801	0.8
67.05505	30.2
69.03402	3.6
69.07069	20.7
71.04957	2.9
71.49933	1.5
71.95281	4.9
74.97611	1.4
79.05037	1.6
79.05492	31.0
81.03403	1.9
81.07056	39.3
83.04985	8.1
83.08617	6.0
84.96043	1.0
85.06520	2.6
91.05483	25.1
93.07043	35.7
95.04964	12.1
95.08602	24.8
97.06516	5.7
97.10118	2.8
97.96805	1.2
98.70227	1.1
103.05451	1.6
105.06342	1.8
105.07028	33.1
107.04966	12.7
107.07906	1.3
107.08582	20.3
109.06523	14.1
109.10159	10.1
110.97543	1.7
111.08028	2.9
116.98557	1.1
117.07025	9.3
119.08577	17.5
121.05704	1.1
121.06500	15.3
121.10140	9.8
123.01138	1.8
123.08083	6.9
123.11677	2.6
125.09612	1.5
128.98642	4.9
129.06950	2.7
130.07762	1.1
131.00003	1.0
131.07614	1.7
131.08554	20.2
133.01772	1.1
133.06407	3.4
133.10127	19.4
135.08046	5.5
135.11722	6.6
137.02698	1.8
137.05923	1.0
137.09564	3.1
139.00610	1.3
141.02240	1.9
141.07002	1.4
143.08508	3.8
145.06427	2.8
145.09111	1.1
145.10124	17.1
146.99635	5.8
147.07950	3.3
147.11674	12.5
149.09625	6.5
149.13202	4.2
151.07539	1.1
151.11180	7.5
153.02234	1.3
155.03728	2.1
155.08495	1.6
157.01637	1.6
157.10065	4.1
159.03209	1.5
159.07977	2.0
159.11670	9.6
161.04860	1.0
161.09575	3.5
161.13211	4.5
163.11157	5.7
163.14806	1.3
165.00630	1.7
165.12654	1.3
167.03751	1.4
169.01688	2.2
169.10109	2.2
171.03256	4.7
171.11646	2.8
173.04837	1.3
173.09549	2.9
173.13255	5.4
175.02676	1.4
175.11194	4.5
177.12682	2.2
179.14255	2.5
181.05264	1.4
183.03239	1.4
183.06956	0.9
183.11652	2.1
185.04836	4.4
185.13223	1.8
187.02806	2.3
187.11134	3.4
187.14822	1.6
189.04347	7.1
189.12677	2.1
191.14206	3.5
195.03101	1.2
195.06993	1.3
197.04810	1.3
197.13118	2.8
199.06416	5.7
201.04153	1.1
201.12640	4.2
203.05898	7.4
203.14182	1.1
207.13701	4.2
209.08450	1.3
211.06279	2.6
213.08002	4.6
213.16306	1.4
215.14191	2.7
215.17801	2.9
217.07399	9.3
219.13712	4.3
223.02690	1.1
223.06363	1.6
225.08072	4.6
227.05774	2.1
227.09418	2.6
229.07375	4.0
229.19392	3.5
231.06949	1.1
231.08998	6.1
231.17456	1.4
237.07936	2.2
239.09521	3.2
239.17921	5.7
241.07446	1.3
241.10913	1.3
243.08896	3.4
245.10550	2.7
247.20493	3.3
249.07857	2.5
251.09396	3.5
253.07387	1.4
253.11018	1.3
255.09036	11.9
257.10486	2.9
257.19003	15.7
267.09003	17.9
268.09305	1.0
269.07886	1.8
269.10599	27.3
270.10779	1.2
271.12125	1.4
273.07834	0.9
273.10056	9.9
275.20056	100.0
276.20255	1.2
278.10681	1.5
279.08914	1.2
285.10083	28.5
286.10248	1.4
287.08792	1.0
287.11676	12.5
291.12482	3.5
292.12094	3.8
293.21060	10.1
297.13467	1.1
303.11203	4.5
308.11487	3.7
309.13687	3.4
310.13055	1.0
331.12802	0.9
331.15829	11.6
349.16666	27.3
349.20630	1.2
349.23569	31.8
349.27292	2.6
349.31018	1.7
367.17914	18.3
372.18295	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	349.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.01870	6.8
55.05510	15.9
56.96564	43.8
57.03436	17.4
57.07048	3.2
61.00801	0.8
67.05505	30.2
69.03402	3.6
69.07069	20.7
71.04957	2.9
71.49933	1.5
71.95281	4.9
74.97611	1.4
79.05037	1.6
79.05492	31.0
81.03403	1.9
81.07056	39.3
83.04985	8.1
83.08617	6.0
84.96043	1.0
85.06520	2.6
91.05483	25.1
93.07043	35.7
95.04964	12.1
95.08602	24.8
97.06516	5.7
97.10118	2.8
97.96805	1.2
98.70227	1.1
103.05451	1.6
105.06342	1.8
105.07028	33.1
107.04966	12.7
107.07906	1.3
107.08582	20.3
109.06523	14.1
109.10159	10.1
110.97543	1.7
111.08028	2.9
116.98557	1.1
117.07025	9.3
119.08577	17.5
121.05704	1.1
121.06500	15.3
121.10140	9.8
123.01138	1.8
123.08083	6.9
123.11677	2.6
125.09612	1.5
128.98642	4.9
129.06950	2.7
130.07762	1.1
131.00003	1.0
131.07614	1.7
131.08554	20.2
133.01772	1.1
133.06407	3.4
133.10127	19.4
135.08046	5.5
135.11722	6.6
137.02698	1.8
137.05923	1.0
137.09564	3.1
139.00610	1.3
141.02240	1.9
141.07002	1.4
143.08508	3.8
145.06427	2.8
145.09111	1.1
145.10124	17.1
146.99635	5.8
147.07950	3.3
147.11674	12.5
149.09625	6.5
149.13202	4.2
151.07539	1.1
151.11180	7.5
153.02234	1.3
155.03728	2.1
155.08495	1.6
157.01637	1.6
157.10065	4.1
159.03209	1.5
159.07977	2.0
159.11670	9.6
161.04860	1.0
161.09575	3.5
161.13211	4.5
163.11157	5.7
163.14806	1.3
165.00630	1.7
165.12654	1.3
167.03751	1.4
169.01688	2.2
169.10109	2.2
171.03256	4.7
171.11646	2.8
173.04837	1.3
173.09549	2.9
173.13255	5.4
175.02676	1.4
175.11194	4.5
177.12682	2.2
179.14255	2.5
181.05264	1.4
183.03239	1.4
183.06956	0.9
183.11652	2.1
185.04836	4.4
185.13223	1.8
187.02806	2.3
187.11134	3.4
187.14822	1.6
189.04347	7.1
189.12677	2.1
191.14206	3.5
195.03101	1.2
195.06993	1.3
197.04810	1.3
197.13118	2.8
199.06416	5.7
201.04153	1.1
201.12640	4.2
203.05898	7.4
203.14182	1.1
207.13701	4.2
209.08450	1.3
211.06279	2.6
213.08002	4.6
213.16306	1.4
215.14191	2.7
215.17801	2.9
217.07399	9.3
219.13712	4.3
223.02690	1.1
223.06363	1.6
225.08072	4.6
227.05774	2.1
227.09418	2.6
229.07375	4.0
229.19392	3.5
231.06949	1.1
231.08998	6.1
231.17456	1.4
237.07936	2.2
239.09521	3.2
239.17921	5.7
241.07446	1.3
241.10913	1.3
243.08896	3.4
245.10550	2.7
247.20493	3.3
249.07857	2.5
251.09396	3.5
253.07387	1.4
253.11018	1.3
255.09036	11.9
257.10486	2.9
257.19003	15.7
267.09003	17.9
268.09305	1.0
269.07886	1.8
269.10599	27.3
270.10779	1.2
271.12125	1.4
273.07834	0.9
273.10056	9.9
275.20056	100.0
276.20255	1.2
278.10681	1.5
279.08914	1.2
285.10083	28.5
286.10248	1.4
287.08792	1.0
287.11676	12.5
291.12482	3.5
292.12094	3.8
293.21060	10.1
297.13467	1.1
303.11203	4.5
308.11487	3.7
309.13687	3.4
310.13055	1.0
331.12802	0.9
331.15829	11.6
349.16666	27.3
349.20630	1.2
349.23569	31.8
349.27292	2.6
349.31018	1.7
367.17914	18.3
372.18295	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	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.0
57.07063	2.9
67.05494	5.1
69.07065	4.0
69.63795	1.1
71.08636	1.0
71.50266	2.1
79.05483	5.0
81.03409	1.3
81.07050	6.9
83.08594	2.2
85.06535	1.4
88.11281	1.1
91.05458	3.1
93.07043	3.5
95.04962	1.9
95.08607	4.9
105.07008	2.4
107.08598	4.9
109.06516	5.4
109.10157	2.2
117.07030	1.5
119.08567	2.9
121.06516	1.5
121.10146	3.0
123.08067	13.2
125.10817	1.2
131.08554	1.4
133.10127	2.2
135.08044	1.4
143.51442	1.1
145.10104	1.5
147.11668	1.9
159.11714	1.6
171.11833	1.6
177.19254	1.1
179.14334	20.8
196.49332	1.2
196.74326	1.1
202.02621	1.2
237.16791	1.7
275.06174	1.5
305.21765	1.1
319.22400	1.1
331.26334	2.8
349.23450	100.0
349.27460	28.1
350.23672	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23588	0.7
53.03932	2.6
55.01874	7.0
55.05510	15.3
56.96567	3.9
56.96788	0.7
57.03437	19.0
57.07054	3.1
65.03921	1.6
67.05504	32.0
69.03411	2.8
69.07066	19.4
69.70306	1.3
69.70722	3.5
71.04975	2.9
71.08595	1.2
72.98792	0.8
79.05023	1.3
79.05489	30.4
81.03402	2.3
81.07053	40.2
83.04977	7.4
83.08624	6.7
85.02891	1.1
85.06522	2.2
85.19543	0.8
91.04918	1.8
91.05477	32.9
93.07040	36.2
95.04969	10.8
95.08604	25.6
97.02843	1.5
97.05966	0.9
97.06511	5.5
97.10144	3.3
97.81697	0.8
99.04440	0.9
99.08080	1.8
103.05435	1.7
105.04498	1.2
105.07025	34.6
107.04958	10.5
107.08583	21.8
109.06505	12.6
109.10155	11.3
111.08076	2.0
113.09662	0.8
115.05412	1.3
117.07006	11.4
119.08575	22.5
121.05687	1.2
121.06498	13.0
121.10136	12.2
122.35817	0.8
123.08070	5.6
123.11685	4.0
125.09618	1.7
129.06970	3.6
131.08560	20.5
133.06459	3.6
133.10124	24.3
135.08058	6.2
135.11667	6.8
137.09601	3.3
141.06982	2.5
143.08563	4.9
145.06467	2.7
145.10107	19.3
147.08046	4.2
147.11687	14.1
149.09608	8.0
149.13213	4.4
151.11150	5.8
155.08548	2.1
157.10104	4.7
159.08051	2.6
159.11673	12.1
161.09596	4.5
161.13232	5.3
163.11151	6.8
169.10103	2.8
171.11688	3.8
173.09590	3.3
173.13292	7.5
175.11162	3.2
175.14792	1.2
177.12730	1.8
179.14369	1.1
183.11731	4.1
185.13246	2.6
187.11235	1.7
187.14803	2.3
189.12675	1.5
191.14236	3.3
193.12167	0.8
195.11739	1.0
197.13258	1.5
199.14803	1.0
201.12781	2.6
201.16347	1.0
203.14284	1.6
207.13815	2.8
215.17946	2.6
217.07553	1.1
219.13846	4.0
219.17389	3.8
229.19505	2.7
233.15387	1.4
233.18965	0.9
239.17969	6.9
247.20511	5.7
255.08911	1.5
257.18994	19.8
275.20053	100.0
276.20291	1.5
277.17810	1.1
289.09329	0.9
293.21204	6.9
303.19049	0.9
331.22610	1.2
349.16541	2.1
349.19724	7.9
349.23672	37.4
350.17130	0.8
367.18048	4.7
368.18024	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61602	1.4
53.03933	3.8
54.33418	1.3
55.01861	5.6
55.05509	13.1
56.96564	7.0
57.03438	12.8
57.07072	1.8
65.03948	1.5
67.05508	26.7
69.03429	3.3
69.07064	16.1
69.73005	4.1
69.73438	4.0
71.04983	2.8
73.02946	2.0
79.05494	29.2
80.62756	1.2
81.03422	2.8
81.07056	60.1
83.04964	6.8
83.08634	6.9
83.91006	1.3
85.02900	2.1
85.06546	3.1
88.77734	1.1
91.05478	23.5
93.07044	30.7
95.04977	8.0
95.08604	21.0
97.02869	2.3
97.06499	6.2
97.10161	4.1
99.08077	2.0
105.07039	26.5
107.04979	9.5
107.08601	21.7
109.06519	21.2
109.10172	10.4
111.08053	1.9
115.05383	1.3
117.07028	8.8
119.08587	18.4
121.06524	8.0
121.10158	10.3
123.08067	4.1
123.11688	4.1
125.09693	2.4
127.03962	1.7
129.07027	2.9
131.08569	17.5
133.06477	4.1
133.10141	19.7
135.08046	5.1
135.11687	6.2
137.09656	2.1
141.07048	2.9
143.08565	4.2
145.10136	15.8
147.08026	3.5
147.11685	14.8
149.09630	6.6
149.13258	5.3
151.11162	5.1
157.10136	5.2
159.08022	1.8
159.11674	10.3
161.09622	3.3
161.13258	4.9
163.11226	5.2
169.10152	2.7
171.11711	4.9
173.09627	2.3
173.13298	5.2
175.11198	3.3
175.14851	1.3
177.12802	1.5
183.11653	3.9
185.13246	2.2
187.11096	2.3
189.12810	1.4
191.14359	2.4
193.12231	2.8
195.11678	1.5
197.13231	1.4
201.12688	1.9
213.16585	1.6
215.17841	1.8
219.13869	4.0
219.17426	1.7
229.19560	4.2
239.17995	3.6
247.20552	3.9
257.18994	16.6
267.09152	1.8
275.20065	82.7
285.10242	1.8
286.10394	2.1
293.21124	4.4
303.19403	1.7
331.04608	1.4
331.15564	1.9
331.22507	2.5
349.19812	100.0
349.23840	28.3
349.28891	5.0
350.20102	4.5
367.17838	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94222	1.0
53.03941	3.6
55.01879	5.7
55.05511	18.0
56.96561	1.8
57.03435	17.8
57.07054	3.6
62.50728	0.9
65.03932	1.8
67.05147	2.0
67.05505	36.7
69.03420	3.8
69.07067	22.1
70.56437	3.3
70.56828	1.8
71.04997	1.6
77.84848	1.0
79.05493	33.2
81.03412	3.8
81.07056	42.4
81.07542	2.5
82.63084	1.1
83.04967	8.3
83.08627	7.3
85.02882	1.6
85.06532	2.0
91.05485	28.3
93.07041	38.3
95.04970	11.0
95.08607	25.2
97.06536	9.3
97.10167	3.1
98.02209	1.1
99.08075	1.4
103.05433	1.2
105.07027	35.0
106.06615	1.5
107.04945	11.6
107.08595	24.5
109.06516	14.0
109.10146	10.6
111.08058	1.4
115.05413	1.4
116.06207	1.6
117.07006	11.8
119.08582	20.1
121.05814	1.4
121.06519	14.8
121.10143	12.6
123.08056	7.4
123.11690	2.8
125.09592	2.1
128.06223	1.4
129.06998	4.2
131.08559	20.3
133.06482	3.6
133.10132	22.0
135.08051	6.1
135.11679	6.9
137.06036	1.4
137.09605	3.2
137.13226	1.3
141.07001	2.4
143.08525	3.9
145.06448	3.5
145.10121	19.6
147.08026	4.1
147.11682	16.1
149.09584	9.4
149.13274	5.9
151.11163	6.1
155.08516	3.2
157.10135	3.8
159.08014	2.6
159.11682	10.5
161.09601	3.6
161.13249	4.7
163.11165	8.3
163.14832	1.2
165.12735	2.2
168.09451	1.3
169.10033	2.5
171.11671	3.1
173.05949	1.7
173.09633	3.4
173.13181	6.0
175.11174	3.6
177.12743	3.2
179.14259	1.3
181.12108	1.4
183.11681	4.4
185.13237	2.1
187.11166	2.6
187.14839	2.9
189.12712	1.8
191.14313	4.2
197.13332	2.8
201.12793	3.5
205.19458	1.3
207.13771	3.2
211.15053	1.2
215.14249	1.8
215.17982	3.0
219.13829	5.1
219.17300	1.5
229.19536	4.0
239.17967	5.6
247.20589	6.1
251.11299	2.0
257.19025	17.5
269.12439	5.9
270.12585	1.6
275.20056	100.0
276.20676	1.2
293.21078	6.9
331.15463	1.2
331.22562	2.0
349.16397	5.3
349.19794	18.3
349.23727	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92695	0.6
53.03984	2.0
55.01874	5.6
55.05509	11.3
55.36934	0.6
56.96308	1.0
56.96564	19.3
57.03438	13.4
57.07111	2.8
58.01828	0.6
65.03970	1.0
67.05502	26.9
69.03452	1.2
69.07065	16.9
70.40925	1.8
71.05038	1.7
71.95311	2.3
79.05489	24.0
81.03455	1.3
81.07054	32.5
83.04978	8.1
83.08612	4.5
85.06577	1.3
91.05473	22.3
93.07040	30.5
94.92352	0.6
95.04970	9.6
95.08608	20.7
97.06536	4.5
97.10223	2.9
99.04686	0.6
103.89949	0.6
105.07028	27.0
107.04964	9.2
107.08598	17.7
109.06514	11.9
109.10154	9.1
110.97591	1.3
111.08150	2.4
115.05495	1.3
117.07023	7.3
119.08581	14.8
121.06499	11.5
121.10146	10.7
123.08073	5.7
123.11681	3.2
125.09683	2.1
128.98662	2.0
129.07059	3.0
131.08565	16.2
133.06549	2.8
133.10123	17.9
135.08067	5.8
135.11691	5.0
137.02789	1.2
137.09673	2.9
139.11203	0.7
141.06969	0.9
142.07851	0.9
143.08568	3.9
145.06537	2.3
145.10112	14.9
145.12917	0.6
146.99739	1.6
147.08044	3.4
147.11674	13.2
149.09615	8.3
149.13280	3.5
151.11180	5.5
155.08604	2.4
157.10089	3.3
158.10808	0.7
159.08127	2.6
159.11694	8.9
161.09645	3.8
161.13304	3.1
163.11154	7.6
163.14825	0.7
169.10201	1.7
171.03421	1.1
171.11737	2.3
173.04915	1.2
173.09566	3.9
173.13246	5.0
175.11165	3.9
175.14842	1.2
177.12801	2.2
179.61676	0.6
183.11761	2.4
185.04855	0.9
185.13234	1.1
187.09694	0.7
187.11256	2.7
187.14847	1.3
189.04413	1.0
189.12767	1.8
189.97116	0.7
191.14307	3.3
193.12166	1.0
195.06902	0.8
197.13268	2.0
199.06461	2.5
199.14902	1.0
201.08025	0.8
201.12775	3.3
203.05980	2.7
207.13791	3.2
211.06508	1.9
211.14870	1.2
213.07916	5.0
213.16444	0.7
215.14407	1.3
215.18013	2.7
217.07460	4.2
217.15967	1.1
219.13750	4.4
225.08054	1.4
229.07433	7.5
229.19569	2.8
231.09039	8.8
231.17451	1.5
233.15350	1.4
233.19057	0.8
239.09575	1.4
239.17986	4.8
243.09023	3.0
245.10664	1.8
247.08575	5.6
247.20547	4.3
251.09552	0.9
253.11157	2.0
255.09050	2.2
257.19003	16.3
261.10074	1.9
267.09012	1.8
269.10590	6.4
271.12167	1.1
275.20056	100.0
276.20395	1.3
283.12506	1.1
285.10181	3.1
287.11707	2.1
293.21075	7.8
331.15744	6.0
349.16833	20.7
349.23660	32.1
350.17215	1.3
367.17920	13.8
368.18298	1.0
372.18317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
55.01858	10.6
55.05515	46.9
56.96568	65.5
57.03442	19.5
57.07079	4.8
59.04999	2.4
63.61648	1.9
65.03932	3.1
67.05507	52.2
67.86929	2.4
69.03403	4.7
69.07072	24.7
69.93367	4.4
69.93762	6.3
71.04974	5.6
71.95245	7.6
74.97601	2.6
79.05497	91.0
81.03400	8.4
81.07060	54.6
83.04980	23.0
83.08633	12.7
85.06512	2.9
91.04913	3.2
91.05479	44.5
93.07047	56.7
95.01350	3.7
95.04965	15.9
95.08612	28.9
97.06519	9.9
97.10175	11.4
104.32227	2.3
105.04459	2.0
105.06339	2.8
105.07032	53.8
107.04965	22.4
107.07902	3.6
107.08598	57.3
109.06494	10.6
109.10158	20.9
110.97601	5.6
111.08069	3.4
116.98598	3.2
117.07027	16.1
119.08579	34.0
119.17883	2.4
121.06509	6.8
121.10158	23.7
123.01187	3.6
123.08047	6.3
123.11712	5.3
125.09591	9.8
128.98575	7.9
129.06970	5.5
131.08588	20.4
133.10132	31.6
134.99602	2.7
135.08014	9.5
135.11703	11.5
137.02716	3.2
137.09630	4.1
141.06973	4.6
143.08546	6.9
145.10126	17.2
146.85138	2.2
146.99692	11.1
147.11705	20.5
149.09621	38.5
149.13240	4.9
155.03789	3.5
157.10120	4.5
159.11693	13.1
161.09584	3.2
161.13266	4.4
163.11122	5.5
163.14914	2.7
169.10083	3.5
169.12259	3.4
171.03247	4.1
171.11742	3.6
173.04799	4.8
173.11816	5.0
173.13245	6.0
175.14781	2.9
177.12755	5.1
179.14281	8.1
183.11617	4.4
185.04785	3.2
185.13167	3.7
187.02777	2.7
187.11240	3.4
189.04256	3.5
189.11220	5.5
197.13295	2.3
199.06383	9.3
201.04372	2.9
203.05939	4.3
203.14417	3.3
209.15309	5.4
211.06404	6.6
213.07994	18.3
217.07507	16.4
225.07970	4.3
229.07503	28.3
229.19481	7.8
231.09000	25.5
239.09480	2.5
241.11050	6.0
243.09018	17.4
247.08496	24.0
247.20573	3.6
254.10544	3.8
255.09082	7.4
257.10699	3.1
257.18915	9.3
259.12131	6.2
261.10013	11.9
273.10083	3.9
275.20068	48.4
277.11102	4.6
280.09702	2.8
285.09863	2.4
295.12088	3.4
325.13281	2.8
331.15784	41.1
332.16061	3.8
349.16757	100.0
349.23462	40.3
349.27426	4.4
350.17102	5.9
367.17896	38.6
372.18356	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
54.56675	1.5
55.01879	8.6
55.05510	23.4
56.96569	11.6
57.03441	17.1
57.07071	3.0
64.98887	1.7
65.03932	3.4
66.69839	1.8
67.05507	47.9
69.03425	3.7
69.07068	28.5
70.12158	9.2
71.04981	5.4
71.95252	2.8
77.00926	2.8
78.99840	1.8
79.05493	59.3
81.03415	5.1
81.06609	3.2
81.07059	56.7
83.04982	6.3
83.08604	12.1
85.02900	3.0
85.06528	5.9
88.07587	1.9
90.98989	1.7
91.05484	48.3
93.07043	36.4
95.04977	9.9
95.08603	34.0
97.06539	9.1
97.10153	5.9
105.04485	1.8
105.07035	56.7
107.04969	12.9
107.08590	41.4
109.06512	12.0
109.10155	16.3
111.32867	1.8
111.78638	1.7
117.07018	18.2
119.04932	2.1
119.08569	35.7
121.06511	4.5
121.10129	15.2
123.08080	6.1
123.11684	6.3
125.09608	7.0
128.06192	2.2
129.07010	7.3
131.08566	29.2
133.06500	2.2
133.10138	35.5
135.08044	6.3
135.11696	10.4
137.05994	2.5
137.09602	4.2
143.08536	7.2
145.10127	40.4
147.08028	1.8
147.11685	25.7
149.09615	15.7
149.13251	5.1
151.11159	4.0
153.09071	2.7
155.08582	2.7
157.10130	5.7
159.11679	17.3
161.13226	8.7
163.11200	7.4
169.10207	4.2
170.73994	2.1
171.10236	2.3
171.11693	6.6
173.13237	8.8
175.11115	2.4
175.14760	2.0
177.12706	3.0
179.14276	4.8
183.11671	4.6
185.13261	2.8
187.11215	3.1
187.14821	2.3
189.11197	4.3
197.13274	4.3
215.11244	4.1
219.17479	3.0
225.11212	1.9
229.19579	4.4
239.17955	8.3
243.10831	4.6
247.20589	3.4
257.12378	4.8
257.19003	26.8
275.20068	56.3
276.20197	1.7
277.11075	3.2
293.20944	3.5
313.64731	1.9
331.15796	3.6
331.22617	3.9
349.19791	100.0
349.23758	68.8
349.27188	2.5
349.28232	3.3
350.20059	5.0
350.23788	2.0
367.18060	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	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.0
55.05505	22.6
57.07072	9.9
58.57680	4.7
65.00677	4.4
67.05512	43.7
69.03413	6.1
69.07070	29.3
69.86297	13.6
69.86714	14.0
79.05499	43.3
81.07055	63.0
83.08629	11.3
85.06543	4.7
91.05488	53.5
93.07050	79.6
95.04962	32.2
95.08611	50.0
97.06528	15.8
103.05464	6.1
105.07037	100.0
107.08596	59.6
109.06512	24.3
109.10162	50.7
115.05466	8.4
117.07058	21.5
119.08585	78.1
121.06518	10.8
121.10153	86.2
122.66116	4.8
123.08074	49.4
123.11715	9.6
128.06281	12.8
129.06993	10.2
130.07785	9.7
131.08589	52.8
133.10115	51.7
135.08069	17.2
135.11703	19.8
137.09566	5.9
142.07788	17.3
143.08586	42.9
144.09372	7.8
145.10133	66.4
147.08035	7.2
147.11694	20.8
149.09628	15.3
155.08562	10.3
156.09340	9.3
157.10135	40.4
159.11688	24.7
161.09625	23.5
161.13252	12.8
163.11243	5.5
165.07065	5.7
167.08540	5.7
169.10138	20.8
169.18158	4.4
171.11707	20.2
172.69257	4.6
173.09531	6.1
173.13307	18.9
175.11038	5.9
175.14825	10.9
179.08519	8.4
179.14305	51.2
180.09384	5.3
181.10155	13.2
182.10873	4.8
183.11700	25.5
184.12375	6.6
185.09676	5.1
185.13309	15.1
187.14777	24.5
194.10909	9.2
195.11696	13.7
196.12480	5.7
197.13254	12.9
199.14819	14.9
209.09210	4.7
209.13237	25.9
211.14859	9.7
223.14909	8.0
227.14339	8.7
239.17955	10.2
255.17386	6.1
265.19507	8.5
275.20255	6.2
303.59018	5.4
321.25775	4.9
349.25348	31.1
349.27411	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	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36890	3.3
52.48012	3.1
53.03942	5.9
55.05514	26.7
57.03441	4.0
57.07053	5.3
60.43237	3.0
65.03931	4.2
67.05505	48.2
69.03438	5.6
69.07064	26.3
69.33366	7.9
69.33692	34.0
71.04989	6.2
72.51476	3.2
78.41866	3.4
79.05490	38.5
81.07057	57.7
83.04957	5.4
83.08615	10.3
84.72119	3.3
91.05483	53.5
93.07044	88.2
95.04962	31.3
95.08607	69.1
95.73199	3.6
97.06516	14.4
98.20780	6.7
101.82580	3.6
103.05478	9.5
105.07034	98.1
106.86710	3.8
107.08595	72.3
109.06522	20.5
109.10158	52.3
115.05436	5.8
115.10524	3.6
116.06287	4.4
117.07001	21.6
119.08586	100.0
119.09402	7.7
121.06495	10.4
121.10155	84.6
123.08071	26.6
123.11690	15.2
128.06212	11.7
129.07056	18.7
130.07759	7.9
131.08565	57.6
133.10129	54.2
135.08047	16.3
135.11699	16.4
137.09665	5.5
141.07001	9.3
142.07782	18.6
143.08566	37.8
144.09320	12.3
145.10117	74.7
147.08003	8.1
147.11723	27.2
149.09641	10.3
155.08553	15.9
156.09335	15.8
157.10123	53.4
158.10878	10.4
159.07945	3.9
159.11703	32.9
161.09634	23.8
161.13272	9.6
164.38214	3.4
167.08594	8.5
168.09358	4.8
169.10077	28.4
170.10909	7.0
171.11688	27.3
173.09552	4.2
173.13264	23.8
175.11197	6.1
175.14844	14.8
175.97217	4.3
179.08543	6.3
179.14287	27.1
180.09329	6.0
181.10107	10.4
183.11719	21.6
184.12344	4.0
185.13197	18.1
187.14812	27.5
189.12859	4.3
192.09372	4.1
193.10098	8.7
194.10884	10.5
195.11705	20.0
196.12445	7.2
197.13281	20.7
199.14793	12.6
201.16376	8.2
207.11635	4.0
208.12523	3.9
209.13266	24.4
211.14867	17.5
213.16325	5.6
223.14853	11.2
225.16417	6.5
227.14314	13.0
235.14824	5.0
237.16373	4.5
239.17894	7.7
251.18015	4.6
253.19662	4.2
255.17349	5.3
265.19595	6.5
275.17630	4.9
302.20309	3.7
315.92941	3.7
321.25696	4.8
331.24130	5.6
349.24612	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.00311	0.3
53.03931	0.4
55.01857	0.7
55.05510	3.7
57.07064	1.1
63.13092	0.3
67.05502	4.1
69.07070	7.4
69.92383	0.8
69.92795	1.4
71.04987	1.0
73.06557	0.7
79.05485	2.8
81.06608	0.5
81.07056	5.9
81.81614	0.4
83.04990	0.7
83.08620	3.0
85.06549	0.5
91.05489	1.4
93.07040	4.2
95.04939	0.4
95.08015	0.4
95.08608	5.3
97.06529	1.0
97.10198	0.7
105.07027	2.6
105.35339	0.3
107.08596	4.2
109.06522	8.1
109.10159	2.7
111.08090	1.3
114.99783	0.4
119.08569	2.7
121.10123	2.7
123.08067	51.8
123.11710	1.2
124.08439	0.6
125.09639	0.6
131.08524	0.6
133.10149	1.7
135.08044	3.9
135.11699	1.3
137.09607	3.3
137.13231	0.4
145.10150	1.0
147.11696	1.5
149.09630	1.2
149.13252	1.4
159.11705	0.7
161.13252	0.9
163.11177	0.7
165.12799	0.4
173.13312	0.5
177.12697	0.5
179.14331	2.8
228.14612	0.4
233.18945	0.9
275.20016	1.7
281.21201	0.8
289.25226	0.7
293.21097	15.4
294.21378	0.4
307.22607	0.9
331.26190	3.4
349.27368	100.0
350.27710	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	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03946	0.4
55.01865	0.4
55.05512	5.3
56.17665	0.3
57.03428	0.7
57.07059	1.5
67.05508	4.6
69.03429	0.5
69.07066	9.0
69.23302	0.3
70.63143	0.6
70.63480	0.4
71.04980	1.2
71.08616	0.6
73.06525	0.3
79.05170	0.3
79.05504	3.3
81.07057	6.7
83.04967	0.9
83.08620	4.0
84.82126	0.3
85.06542	0.7
91.05499	1.9
93.07043	5.0
95.04961	0.4
95.08608	6.6
97.06518	1.9
97.10162	0.5
99.08088	0.5
105.07025	2.2
107.08598	4.6
109.06519	9.5
109.07277	0.5
109.10154	3.4
111.08067	1.7
117.06989	0.4
119.08581	2.9
121.06448	0.7
121.10133	3.1
122.07285	0.7
123.08067	58.7
123.11637	1.9
124.08375	0.9
125.09586	0.8
130.70975	0.3
131.08601	0.5
133.10136	2.2
135.08057	5.1
135.11694	1.8
136.08873	0.5
137.09596	3.0
137.13185	0.4
145.10092	1.1
147.11674	1.6
149.09622	0.8
149.13251	1.4
153.17566	0.3
159.11676	1.1
161.13248	1.1
163.11174	0.5
165.12804	0.9
167.14409	0.7
177.12746	0.8
179.14313	8.2
187.14798	0.5
233.19057	0.9
275.20047	1.4
289.25275	0.9
293.21106	15.3
293.24371	0.8
294.21683	0.6
303.26846	0.7
307.22705	1.0
331.26346	3.0
349.27368	100.0
350.27719	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	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.66124	0.3
55.01858	0.4
55.05508	2.3
57.06847	0.4
57.07076	4.3
57.93072	0.3
62.19263	0.4
67.05509	3.6
69.07069	3.1
71.04982	0.7
71.08633	2.5
79.05487	2.5
81.06609	0.4
81.07056	6.2
83.04942	0.4
83.08601	1.1
85.06545	1.7
91.05464	1.0
93.07023	2.8
95.04977	0.6
95.08604	5.4
97.10164	0.5
99.08076	1.6
105.07030	1.6
107.08585	2.5
109.06520	17.5
109.10136	2.0
111.08069	0.5
119.08576	1.9
121.06461	0.5
121.10149	1.9
122.07300	2.4
123.08070	23.4
123.11681	0.7
131.08578	0.5
133.10127	1.5
135.08055	2.8
135.11691	0.7
137.09618	0.9
144.95129	0.3
145.10078	0.9
147.11659	0.9
149.09601	0.3
161.13274	0.5
163.11221	0.3
165.12718	0.8
167.14326	0.5
177.16383	0.4
179.14307	100.0
180.14618	1.5
185.13211	0.4
193.15881	2.8
233.18916	0.5
233.41283	0.3
293.21432	0.4
331.26254	2.8
349.27371	62.5
350.27887	1.7
353.67178	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	349.2737
Annotation	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
53.03928	0.8
55.01868	1.8
55.05509	8.5
56.96563	5.0
57.03431	1.6
57.07078	4.4
65.03940	0.8
67.05504	11.6
69.03431	1.6
69.07068	15.2
70.29974	0.6
70.84122	1.3
70.84467	0.9
71.05006	1.2
71.08633	1.8
71.95265	0.7
79.05482	6.0
81.06608	1.1
81.07056	16.4
83.04969	2.7
83.08621	4.3
84.27130	0.6
85.06531	1.3
91.05482	7.4
93.06496	0.9
93.07044	10.9
95.04975	1.6
95.08608	19.4
97.06517	1.4
97.10147	1.4
99.04430	0.7
99.08079	0.7
105.07018	9.2
107.04987	1.1
107.07893	1.1
107.08592	17.7
107.28737	0.6
109.06527	5.6
109.10166	7.6
111.08057	1.3
117.07027	1.9
119.08578	15.8
121.06532	3.3
121.10139	9.9
123.07225	1.2
123.08065	18.1
123.11706	2.1
125.09533	0.6
128.98604	0.7
129.07045	0.7
131.08586	3.9
133.10118	8.4
135.08058	8.4
135.11684	5.2
136.08835	1.1
137.09610	5.1
137.13231	2.9
139.11198	0.6
143.08609	1.3
144.77399	0.7
145.10120	4.2
147.11670	4.4
149.09608	6.6
149.13216	2.9
151.11166	1.4
157.10117	0.7
159.11684	4.0
161.09546	0.7
161.13206	4.9
163.11185	2.5
163.14827	4.1
165.12727	3.0
165.16270	0.8
171.11787	1.1
173.13190	2.9
175.14809	4.5
177.12811	1.7
177.16307	0.8
179.14314	16.7
187.14761	1.4
189.16393	0.8
191.14317	6.1
197.05006	0.7
203.17894	1.0
205.15906	1.0
215.05840	0.7
229.19514	1.0
239.17821	0.6
247.20560	0.9
257.18796	0.9
269.10602	1.6
275.20053	3.6
285.25711	2.0
291.19342	0.8
293.21109	2.4
303.26822	25.1
304.27078	1.0
313.25180	1.4
323.19119	0.6
331.26303	100.0
332.26630	4.2
347.15405	3.2
349.16183	1.0
349.19794	2.7
349.23648	2.4
349.27341	19.7
349.33795	1.1
350.23260	3.2
350.27115	0.6
365.16440	3.1
366.16718	1.1
367.17715	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	349.2737
Annotation	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
52.05622	0.6
55.01867	0.6
55.05511	7.3
56.96562	4.4
57.03420	1.2
57.07076	4.7
61.93732	0.5
67.05178	0.9
67.05498	7.9
69.03439	0.8
69.07068	14.0
69.19460	6.1
71.03181	0.5
71.04974	0.7
71.08633	1.4
71.34875	0.6
72.06880	0.6
74.98695	0.5
79.05490	5.1
81.07051	9.3
83.04973	1.6
83.08612	6.6
85.06535	0.6
91.05467	4.4
93.07039	9.9
95.04968	0.6
95.08607	8.8
97.06544	1.6
97.10158	1.3
105.07021	6.4
105.98186	0.6
107.04913	0.6
107.07900	1.0
107.08591	15.8
109.06492	2.7
109.10156	4.1
111.08059	1.4
119.08570	9.5
121.06505	2.6
121.09336	0.9
121.10140	8.8
123.08072	10.9
123.11711	2.1
131.08559	2.8
133.10130	7.9
135.08046	9.8
135.11693	4.8
136.08829	1.7
137.09605	2.0
137.13231	1.3
143.08563	1.0
145.10103	3.4
147.11655	2.7
149.09627	5.8
149.13246	3.0
151.11264	1.0
157.10124	0.8
159.11681	2.8
161.13251	2.2
163.11232	1.3
163.14787	3.3
165.12772	0.8
171.11623	1.0
173.13274	2.1
175.14816	3.7
177.12732	1.7
177.16388	0.8
179.14308	9.8
189.04320	1.3
189.16359	1.5
191.14299	7.3
201.16302	1.1
203.05922	0.9
203.17938	1.9
205.16005	0.9
219.13837	1.0
219.17436	1.0
219.21298	0.6
227.05960	0.6
229.19490	0.7
229.36081	0.7
247.20456	0.9
275.20059	2.1
275.27271	1.1
285.25769	1.6
303.26846	14.5
303.30304	0.5
304.26675	0.6
313.25165	0.8
331.26294	100.0
332.26764	2.9
349.16754	5.4
349.27496	9.1
367.17917	5.9
372.18607	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	350.1599
Annotation	Seneciphylline N-oxide
Peak:m/z	Relative Intensity
52.13678	0.5
56.05029	1.3
56.96567	1.5
67.05491	0.8
69.03426	1.9
70.06586	1.6
71.04992	0.6
71.40547	1.0
72.08128	0.7
74.06049	0.9
77.28609	0.5
81.03419	0.9
82.06578	0.6
84.08186	0.7
85.02907	2.6
86.09705	0.9
89.09247	0.5
91.05492	1.3
93.07046	0.6
94.00602	0.5
94.06551	0.7
95.04964	1.3
96.08128	1.3
97.02892	1.2
97.06591	0.6
98.09641	0.6
98.97577	1.1
105.03429	0.6
105.07039	0.6
106.06528	0.8
108.23662	0.5
110.09684	0.6
111.04522	0.6
118.06530	1.0
120.08107	4.3
121.02876	0.5
121.08894	1.5
122.09695	1.1
124.07623	0.6
129.07022	0.8
130.06496	0.9
131.08623	0.6
132.04498	0.7
132.08115	1.5
133.02843	2.1
133.08885	1.3
134.09662	2.3
135.04422	0.6
136.07605	1.1
139.03906	1.4
146.06033	1.0
146.09642	1.1
146.99643	0.6
147.05571	0.6
148.07629	1.5
150.09157	0.8
150.97000	0.6
151.03925	2.1
156.08046	1.1
158.09654	1.4
159.06461	0.7
160.07582	6.1
160.11211	2.9
162.09094	0.7
164.07098	1.4
165.05489	6.8
167.09502	1.1
169.10115	0.6
170.09622	1.5
172.11238	1.2
176.07034	1.2
177.00621	0.9
177.05371	0.6
177.07803	0.7
178.08694	1.2
184.11214	2.4
185.12044	1.1
186.09192	0.6
186.12766	1.4
187.09908	0.9
188.08235	1.7
190.08679	1.6
192.10210	7.2
195.08109	0.6
196.11224	0.6
198.09177	1.0
198.12794	2.0
200.14296	0.7
202.08665	1.2
204.10223	1.3
205.11009	2.6
208.11180	0.7
212.10719	1.3
214.08626	0.6
226.08749	1.1
226.12195	2.6
228.13852	1.5
230.11754	8.6
238.12172	0.8
240.10052	0.6
244.13354	1.3
254.11813	3.3
256.13315	1.5
260.16345	0.6
262.10852	1.2
272.12741	4.1
282.11203	1.3
286.14410	1.9
288.15936	1.1
300.12354	6.0
304.15536	2.4
314.13733	1.2
318.13412	1.5
332.14917	23.3
332.18970	1.1
333.15152	0.5
350.09000	2.6
350.16000	100.0
351.11398	0.5
351.16275	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.6
55.05515	0.9
56.05037	1.0
56.96313	1.4
56.96567	18.8
57.03416	1.7
61.02889	1.9
67.05497	1.5
68.31953	0.8
69.03434	4.4
69.07045	1.7
70.06573	2.6
70.42323	0.8
71.04955	0.8
71.48637	1.2
72.08139	1.4
79.05470	0.9
81.03403	2.1
81.07030	1.4
82.06594	1.0
84.04480	1.6
84.08137	8.9
84.96035	4.2
85.02907	7.7
86.03223	0.9
86.09688	1.3
91.05470	0.8
97.02889	4.4
98.97582	98.0
102.97062	1.0
105.39362	0.8
109.02856	1.6
110.97556	5.0
111.02860	0.9
116.98621	77.8
119.01864	1.2
120.08071	2.9
122.06877	1.0
127.03869	3.1
128.98604	10.6
129.10187	3.1
131.00136	2.0
134.99657	48.2
136.06180	1.7
137.05849	1.1
139.01572	1.0
140.00180	1.6
143.00098	2.4
144.13820	2.6
145.01724	1.9
145.04935	1.7
146.99663	10.1
147.03278	3.1
147.04356	1.1
149.01181	2.1
153.00731	5.9
155.04691	1.2
158.99660	35.3
161.01195	3.9
161.02908	2.3
161.07092	1.2
162.05463	3.2
162.99142	1.3
163.02730	3.8
165.00710	2.0
165.04308	3.2
170.99658	4.0
171.03276	3.5
177.00703	63.0
178.00902	0.9
189.00771	4.2
189.02446	1.2
189.04283	17.9
189.06522	3.0
190.04910	5.2
190.14381	3.0
193.03705	2.0
195.01813	5.3
200.02290	2.4
201.00702	2.1
206.48138	0.8
207.05423	5.6
219.01762	9.2
219.05167	1.3
231.05399	3.1
233.06914	1.1
237.02798	28.4
238.03172	0.9
249.06328	1.7
255.03807	3.3
283.05591	1.0
291.04346	1.6
291.07458	23.6
293.10724	1.2
309.08557	100.0
310.08777	3.4
311.21237	0.8
332.10303	4.5
333.05945	1.1
333.10678	0.9
350.98691	0.9
351.09503	36.0
351.20517	1.1
352.10092	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	351.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.6
55.05515	0.9
56.05037	1.0
56.96313	1.4
56.96567	18.8
57.03416	1.7
61.02889	1.9
67.05497	1.5
68.31953	0.8
69.03434	4.4
69.07045	1.7
70.06573	2.6
70.42323	0.8
71.04955	0.8
71.48637	1.2
72.08139	1.4
79.05470	0.9
81.03403	2.1
81.07030	1.4
82.06594	1.0
84.04480	1.6
84.08137	8.9
84.96035	4.2
85.02907	7.7
86.03223	0.9
86.09688	1.3
91.05470	0.8
97.02889	4.4
98.97582	98.0
102.97062	1.0
105.39362	0.8
109.02856	1.6
110.97556	5.0
111.02860	0.9
116.98621	77.8
119.01864	1.2
120.08071	2.9
122.06877	1.0
127.03869	3.1
128.98604	10.6
129.10187	3.1
131.00136	2.0
134.99657	48.2
136.06180	1.7
137.05849	1.1
139.01572	1.0
140.00180	1.6
143.00098	2.4
144.13820	2.6
145.01724	1.9
145.04935	1.7
146.99663	10.1
147.03278	3.1
147.04356	1.1
149.01181	2.1
153.00731	5.9
155.04691	1.2
158.99660	35.3
161.01195	3.9
161.02908	2.3
161.07092	1.2
162.05463	3.2
162.99142	1.3
163.02730	3.8
165.00710	2.0
165.04308	3.2
170.99658	4.0
171.03276	3.5
177.00703	63.0
178.00902	0.9
189.00771	4.2
189.02446	1.2
189.04283	17.9
189.06522	3.0
190.04910	5.2
190.14381	3.0
193.03705	2.0
195.01813	5.3
200.02290	2.4
201.00702	2.1
206.48138	0.8
207.05423	5.6
219.01762	9.2
219.05167	1.3
231.05399	3.1
233.06914	1.1
237.02798	28.4
238.03172	0.9
249.06328	1.7
255.03807	3.3
283.05591	1.0
291.04346	1.6
291.07458	23.6
293.10724	1.2
309.08557	100.0
310.08777	3.4
311.21237	0.8
332.10303	4.5
333.05945	1.1
333.10678	0.9
350.98691	0.9
351.09503	36.0
351.20517	1.1
352.10092	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	351.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01620	0.2
51.02381	0.4
52.00752	0.2
53.03938	1.0
55.01871	0.4
55.05511	1.3
65.03946	1.5
67.05506	3.4
69.03411	0.7
69.18472	0.2
69.30355	1.5
69.30775	0.6
70.06565	0.3
71.01353	0.3
73.02899	0.5
77.03912	0.5
79.05025	0.3
79.05489	5.1
81.03397	0.4
81.07034	0.6
82.85931	0.2
83.01328	0.3
83.04980	5.7
86.09724	0.2
90.15356	0.2
91.05470	0.7
93.03408	1.3
93.07025	0.7
95.01382	0.3
95.04967	11.5
95.08631	0.2
97.02930	1.1
97.03439	0.2
97.06524	0.5
98.21561	0.4
103.05450	0.6
105.04497	0.5
105.06999	0.4
107.04952	4.2
109.02852	1.2
109.06519	0.4
111.04439	7.3
119.04967	0.2
119.08567	0.3
121.02873	1.0
121.06506	0.8
123.00803	0.4
123.04427	1.9
125.02354	0.6
125.05972	0.8
131.04913	0.5
133.06508	0.4
133.10146	0.6
135.04411	100.0
136.04739	3.0
139.03900	19.3
140.04263	0.4
147.04370	0.4
149.05975	1.4
150.49358	0.2
151.03909	1.3
153.05457	4.0
157.04956	7.6
159.04436	0.4
175.14803	0.6
176.09137	0.2
177.05472	6.1
195.06525	4.7
196.06824	0.2
199.06039	0.3
204.21400	0.2
236.50902	0.2
259.13385	0.5
281.06497	0.3
333.09586	0.6
351.10806	2.4
351.18158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05225	0.2
50.50669	0.2
53.03948	1.3
53.27925	0.2
55.01866	0.5
55.05510	1.4
65.03938	1.3
67.05190	0.3
67.05510	3.4
69.03423	0.6
70.06573	0.2
70.54427	0.3
70.54774	0.2
71.01340	0.3
73.02908	0.3
77.03919	0.4
79.05498	4.9
79.15473	0.2
80.05793	0.2
81.03422	0.5
81.07050	0.5
83.01344	0.4
83.04982	6.1
83.05477	0.4
85.02887	0.2
91.05480	0.8
93.03416	1.4
93.07040	0.7
95.01331	0.5
95.04970	10.9
96.05274	0.3
97.02874	1.1
97.06534	0.5
103.05489	0.6
104.51895	0.2
104.66396	0.2
105.04506	0.5
105.07044	0.4
107.04954	3.9
109.02891	1.1
109.06515	0.7
111.04446	6.2
119.08583	0.4
121.02872	0.9
121.06503	0.7
123.00780	0.4
123.04425	1.7
125.02335	0.5
125.06010	0.6
129.06990	0.2
131.04956	0.3
133.06519	0.7
135.04417	100.0
136.04752	2.0
139.03903	18.2
140.04247	0.3
141.01764	0.2
147.04417	1.4
148.82803	0.2
149.05971	1.2
151.03914	1.4
153.05470	4.1
157.04961	6.7
161.13260	0.2
165.29692	0.2
177.05473	6.2
195.06548	4.6
213.07645	0.3
259.13358	1.8
261.54340	0.2
278.81891	0.2
281.06656	0.3
333.09595	0.5
351.04956	0.3
351.10794	1.8
351.18085	0.3
361.63562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1263
Annotation	Estrone 3-sulfate
Peak:m/z	Relative Intensity
56.96556	2.5
57.61757	0.6
58.45784	0.6
65.23357	0.6
66.04057	0.6
70.03873	1.6
70.04267	1.3
71.67828	0.7
79.16274	0.5
81.74255	0.6
84.95992	0.8
85.02906	1.8
88.16965	0.5
97.02877	1.0
97.83554	0.6
98.97618	3.2
101.00898	0.8
103.00667	0.6
116.98602	2.2
119.01903	3.7
121.01671	2.1
128.98575	0.7
131.01898	2.1
133.01645	1.4
133.03481	1.6
134.99669	1.2
135.03268	0.7
143.01923	1.2
145.03474	1.9
146.03816	0.6
146.99625	0.8
147.05124	0.7
154.57524	0.6
155.01865	2.0
157.03482	1.3
161.01152	0.8
161.02954	2.5
170.99597	1.0
171.05038	1.7
173.02960	4.8
175.04463	1.0
177.00673	1.3
185.02963	1.5
187.04549	1.3
189.00671	1.1
191.03893	0.8
201.00581	1.2
203.03958	0.7
217.00201	2.0
219.01669	1.0
221.05157	1.0
225.08331	0.9
233.03397	0.7
235.06573	2.4
249.02855	2.7
249.08232	1.5
251.04413	1.4
253.07726	3.2
267.00061	0.6
279.03674	0.8
279.09375	0.9
289.07758	2.6
319.03448	0.9
324.46393	0.7
333.06641	2.0
351.07086	12.1
351.12607	100.0
352.12894	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	351.155
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36336	0.3
69.03444	0.5
69.35474	3.3
70.06587	0.7
72.08142	0.4
76.66560	0.3
84.04493	0.8
84.08140	0.6
85.02903	0.6
86.09718	0.9
95.04942	0.4
99.04406	0.3
120.08092	0.6
124.07589	0.5
135.04413	0.7
136.07561	0.4
147.04395	0.6
147.05534	0.5
164.07071	0.5
168.06589	0.6
170.08098	1.3
175.08708	0.9
182.08119	1.7
189.10303	0.5
197.10698	0.5
199.08658	3.1
200.09435	7.6
201.10222	9.0
202.11038	0.8
212.09541	0.7
213.10213	8.5
214.10992	4.9
215.11798	20.1
216.12485	1.4
217.09726	1.8
218.10593	0.4
219.11278	9.7
225.13910	0.5
226.10988	1.8
227.08052	0.7
227.11758	1.5
228.08914	0.6
228.12526	2.5
231.11205	2.1
232.11926	0.7
241.09818	2.5
241.13374	4.4
242.10501	11.9
243.11278	2.2
245.09271	1.5
254.10455	1.9
255.11304	1.2
256.12094	3.0
259.10788	3.6
259.13428	0.5
260.11514	4.8
261.12341	1.0
269.12851	4.1
270.13492	0.5
272.11536	0.7
274.13156	0.8
277.11862	3.9
280.12122	0.5
287.13870	3.3
289.15396	1.0
297.12378	6.7
300.10947	3.0
315.13379	17.6
316.13599	0.4
333.10983	0.7
333.14423	19.1
351.15497	100.0
352.15771	2.0
361.32803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17945	1.0
53.03920	2.0
55.01872	2.3
55.05509	10.2
57.03425	1.5
57.07064	2.3
58.20049	0.9
61.02927	6.0
67.05502	9.2
67.48764	0.9
69.03424	5.1
69.07066	14.0
70.06596	1.0
70.84435	2.7
71.01370	0.9
71.04993	2.2
71.54535	1.0
73.02914	1.3
79.05496	9.0
81.03425	1.3
81.07053	10.0
83.01332	1.7
83.04977	17.6
83.08619	3.3
85.02892	4.3
85.06525	1.5
86.09713	1.8
91.03942	3.5
91.05474	12.8
93.07043	11.3
95.01325	4.4
95.04951	8.2
95.08601	16.8
97.02882	1.3
97.06535	5.4
101.02389	1.4
103.03896	1.3
103.05457	1.3
105.07025	27.2
107.04958	3.0
107.08586	12.0
108.08144	1.1
109.02883	3.3
109.06507	5.6
109.10143	12.4
111.04427	3.6
111.08098	2.5
113.02364	2.8
113.05977	1.4
117.03361	2.5
117.06995	4.7
119.03403	1.1
119.08580	69.2
120.09351	3.8
121.06496	4.0
121.10132	24.0
123.04411	4.5
123.08063	3.2
123.11723	6.9
124.07530	1.2
125.05960	2.6
127.03934	1.8
129.06989	1.4
131.08542	5.5
133.10124	79.3
134.10910	1.6
135.04407	9.7
135.08037	1.2
135.11667	3.2
136.06192	3.0
137.05937	4.9
137.09572	1.7
139.03864	3.9
139.07510	2.0
141.01772	1.5
141.05452	2.5
143.03369	2.2
143.08554	1.7
145.02832	4.7
145.10124	5.3
147.04399	2.4
147.07997	2.1
147.11670	30.4
149.05936	1.1
149.09583	1.5
151.03918	1.3
151.07533	1.6
153.05472	2.5
154.03252	2.2
155.07079	1.2
157.10124	2.7
159.06578	1.6
159.07970	1.5
159.11679	3.1
160.12422	1.2
161.05974	1.3
161.09657	2.0
161.13245	17.8
163.07523	1.2
166.08742	1.3
167.07024	4.3
169.04918	1.5
169.08572	1.2
173.09631	1.2
173.13281	7.7
175.14815	100.0
176.15594	17.2
177.03944	3.0
177.05466	7.3
183.06563	9.9
185.08055	3.0
185.09546	1.2
187.07588	1.2
187.14806	3.6
189.09125	1.5
195.10165	1.0
196.04263	1.3
201.07635	1.1
203.14331	2.4
208.50482	1.0
211.06012	11.4
211.09575	1.6
215.05519	2.0
215.14294	2.7
222.11377	1.0
227.10736	1.1
229.07065	13.0
243.08598	5.2
255.08688	2.2
257.10150	3.9
259.13144	2.3
269.10339	1.3
276.07742	1.5
283.11789	1.5
287.16479	1.3
295.11832	2.3
305.17502	3.6
315.16150	1.2
319.09808	1.4
333.09000	3.0
333.16876	3.8
351.13809	1.7
351.18069	26.4
352.12943	1.2
352.18347	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	351.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01317	0.5
53.03934	0.8
55.01868	3.8
55.05504	4.4
56.96563	37.9
57.03421	1.0
57.07042	0.6
67.05193	0.6
67.05502	8.2
69.07072	3.5
69.75156	1.7
69.75584	1.9
71.04985	0.7
71.08629	6.0
71.95257	3.8
72.96044	1.7
74.97588	1.5
79.05486	5.5
81.03399	1.7
81.06599	1.0
81.07047	8.6
83.04953	2.2
83.08590	1.9
84.96017	1.0
91.05468	4.4
92.98623	0.7
93.07041	6.6
95.04943	2.1
95.08614	4.6
97.06525	1.1
97.10139	0.8
97.96804	0.8
99.08091	2.9
105.00166	1.1
105.06989	4.5
107.04947	0.9
107.08584	4.2
109.06491	1.8
109.10140	2.6
110.97585	1.4
111.08121	3.6
113.09554	0.6
115.00672	0.9
115.97820	0.8
116.98551	1.6
117.07027	1.2
119.08598	3.5
121.01778	0.6
121.10148	3.3
123.01171	1.8
123.08014	0.9
123.11726	0.7
125.09599	0.9
128.98578	3.8
129.06998	0.8
131.08536	1.9
133.01721	0.9
133.06404	0.7
133.10117	4.2
135.08067	0.7
135.11668	2.1
137.02682	0.7
141.02226	1.7
143.08540	1.2
145.01735	1.1
145.10083	1.7
146.99663	5.5
147.11670	3.3
149.09639	0.6
149.13214	2.0
151.11153	1.7
153.12567	0.6
155.03819	2.9
157.01656	1.4
157.10129	0.9
159.03224	1.2
159.11700	1.1
161.01225	0.7
161.13229	2.3
163.02754	0.6
163.11229	0.6
163.14760	0.9
165.00688	1.1
165.12733	1.8
167.03740	1.0
169.01678	0.9
169.05348	1.3
169.10129	0.7
171.03256	2.3
171.11700	1.3
173.01253	0.8
173.04816	1.9
173.13196	1.2
174.99083	0.6
175.02789	1.0
175.14761	0.7
178.07697	0.6
179.14214	1.2
181.01668	0.7
181.05353	1.0
183.03238	1.8
183.06834	0.9
185.01157	0.8
185.04794	3.2
185.13217	0.8
187.02748	1.8
187.06273	0.7
189.00499	0.8
189.04376	3.0
189.07945	2.9
191.05849	1.2
193.03865	0.8
195.06897	1.4
195.11711	0.6
197.04807	1.1
197.08371	1.1
199.06378	6.2
199.14784	1.0
201.04253	1.2
203.05835	4.5
207.06979	1.3
207.08975	1.2
208.06447	0.8
209.08446	0.7
211.06396	3.6
213.07947	2.5
215.05865	1.0
215.09554	0.6
217.07463	12.2
219.06927	1.0
223.10104	0.8
225.07959	3.3
227.09473	1.4
229.07542	3.5
231.09151	3.0
231.21027	0.9
237.04312	1.5
237.07938	5.7
239.09512	2.3
241.07465	0.9
241.11095	1.4
241.19327	0.9
243.09009	5.8
245.10629	1.0
247.08548	0.7
249.22098	0.8
251.09451	2.0
253.11053	2.6
255.09033	22.7
256.09424	1.0
257.10550	1.7
259.12405	0.7
259.20569	4.5
260.09592	0.7
261.10043	2.3
267.09009	1.6
269.10583	5.9
271.12140	1.0
271.17157	0.6
273.10101	14.8
277.21613	5.6
278.10516	3.6
281.10660	0.8
285.10071	2.9
287.11658	2.8
296.11710	1.9
302.84448	0.6
305.17932	1.1
315.16187	0.9
323.18890	2.7
333.17294	30.9
334.17426	0.7
341.20129	0.9
346.04877	0.7
346.20840	0.7
351.18350	100.0
351.25348	4.2
352.18750	1.6
369.19479	58.3
370.19720	2.0
374.19998	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	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.60074	0.4
55.05512	1.2
60.65973	0.4
67.05508	2.2
69.07056	1.9
70.13128	1.8
71.08589	0.4
79.05494	2.0
81.07059	5.4
83.08617	0.7
91.05470	1.8
93.07053	2.9
95.04980	0.4
95.08605	5.2
98.20802	0.5
105.07028	3.2
107.08585	4.2
109.10155	1.9
110.12182	0.4
110.90541	0.4
117.07035	0.5
119.08573	2.8
119.88424	0.4
121.10132	2.2
123.11692	2.4
129.07013	0.7
131.08580	1.6
133.10144	1.7
135.11720	1.4
137.13225	1.0
143.08553	0.9
145.10107	2.3
147.11656	2.2
149.13231	1.3
155.08603	0.5
156.09268	0.5
157.10106	2.0
159.11702	2.6
161.13277	1.4
163.14833	1.6
169.10098	0.9
171.11716	2.1
173.13232	2.3
175.14867	1.3
181.10161	1.1
183.11711	1.1
185.13222	1.5
187.14836	1.5
189.16428	1.1
197.13341	0.7
199.14880	1.0
201.12718	1.3
201.16528	0.7
203.18045	0.5
213.16389	2.1
215.18007	1.6
217.65306	0.5
225.11119	0.6
225.16371	0.6
227.17969	2.6
229.19545	1.2
231.10771	0.7
239.17967	0.7
241.19545	1.0
253.19568	1.1
255.20923	0.6
267.20978	0.6
268.21796	0.4
281.22693	0.6
295.24207	1.0
305.20920	0.8
309.25949	0.6
333.20071	1.2
333.25830	0.6
351.21417	100.0
351.30392	21.2
352.21741	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	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
54.08009	0.3
54.58015	0.3
55.01875	0.3
55.05498	1.3
56.96551	1.4
60.88510	0.4
67.05514	1.9
69.07079	1.7
71.04333	0.7
76.94878	0.3
77.00902	1.0
79.05500	1.7
81.07055	2.4
83.04962	1.0
83.08623	0.5
91.05464	1.2
93.07050	1.6
95.01932	0.6
95.04956	0.9
95.08614	1.1
97.06512	1.8
100.07651	0.4
105.07030	1.2
107.08589	1.0
109.06459	0.5
109.10185	1.0
119.08598	0.9
121.10133	0.5
123.04458	0.4
123.11663	0.5
135.11670	0.5
137.05933	0.5
137.09634	0.4
140.21834	0.3
143.08575	0.4
145.06453	0.4
145.10147	0.5
149.09654	0.4
160.05057	0.4
161.05960	0.8
163.03815	0.4
163.07642	0.5
171.05139	0.3
173.06013	0.6
185.06549	0.5
197.05795	0.5
201.05569	0.4
201.09843	0.6
213.07892	0.4
213.09755	0.7
215.11246	1.8
217.07524	0.5
219.08496	0.4
227.11168	0.5
229.07553	0.8
231.10783	1.3
233.12463	0.4
241.12590	0.4
243.14449	1.0
247.08530	0.8
253.12898	1.6
253.61774	0.3
255.06784	0.4
255.09476	0.8
257.12314	0.6
259.13467	0.6
264.10159	1.8
264.60214	0.5
271.13821	1.1
273.10205	0.9
277.21628	0.4
316.59283	0.7
333.19275	2.0
351.12766	2.3
351.21420	100.0
352.21701	1.5
369.21066	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61817	0.5
55.05499	1.3
57.07075	0.7
67.05513	2.7
69.07051	2.2
70.13281	2.1
79.05487	2.0
81.07054	7.2
83.08607	0.9
91.05479	2.2
93.07046	3.9
95.04952	0.8
95.08606	6.5
97.10213	0.6
105.07015	2.2
107.08594	5.4
109.10163	3.6
117.07030	1.3
119.08588	2.0
121.10146	2.7
123.11716	2.5
131.08585	2.1
133.10110	3.1
135.11699	3.2
137.13249	1.9
143.08614	1.1
145.10153	2.7
147.11696	2.2
149.13319	1.3
157.10120	2.3
159.11708	2.2
161.13260	2.5
163.14818	2.4
169.10115	1.5
171.11688	2.2
173.13231	2.0
175.14796	2.3
181.10158	2.1
183.11668	1.3
185.13287	2.0
187.14819	2.1
189.16393	1.3
197.13258	1.1
199.14821	1.6
201.12758	1.6
201.16371	1.3
203.17722	0.8
211.14899	1.0
213.16367	3.2
215.17973	2.2
224.92622	0.6
225.10933	0.8
225.16472	0.9
227.17905	3.3
229.19563	1.6
241.19505	1.3
243.20972	0.8
249.16118	0.6
253.19597	0.8
255.21106	0.6
267.21072	0.8
293.22604	0.6
295.24164	1.0
305.20807	0.6
333.20160	1.2
333.25836	0.9
351.21432	100.0
351.30423	28.6
352.21817	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	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03939	1.1
54.13175	0.5
54.58811	0.5
55.01863	2.1
55.05510	5.6
56.96553	1.0
57.03439	3.2
57.07071	1.2
65.03944	0.6
67.05502	14.6
69.03427	0.7
69.07069	4.9
70.75805	0.9
70.76167	1.5
71.04978	0.6
71.08635	10.0
79.05495	9.6
81.03404	2.1
81.07056	11.3
83.04990	1.8
83.08622	2.9
85.06545	0.9
91.05486	6.7
93.07043	10.2
95.04967	2.9
95.08611	8.8
97.06523	2.0
97.10159	2.0
99.08096	8.1
105.07018	5.8
107.04958	0.9
107.08585	6.9
109.06518	1.9
109.10159	4.5
111.08051	0.8
113.09669	0.5
117.07023	1.3
119.08597	4.1
121.10159	2.6
123.08025	0.7
123.11671	0.7
125.09634	2.0
129.06995	1.3
131.08545	1.6
133.10149	2.9
135.08000	0.8
135.11668	3.3
137.09575	0.8
137.13245	0.6
139.22406	0.5
143.08568	1.2
143.78056	0.5
145.10118	1.9
147.11682	2.8
149.02341	2.2
149.13319	2.5
151.11147	4.9
159.11725	1.1
161.13290	4.1
163.11172	3.0
163.14862	0.6
165.12773	0.7
169.01488	0.7
169.59895	0.6
171.11713	1.8
175.14819	1.7
177.12881	0.6
179.14255	3.0
185.13255	1.0
189.11227	0.8
189.12747	1.1
193.05008	1.5
199.14879	0.9
211.74300	0.6
217.19632	0.5
241.19566	2.1
249.22162	0.8
259.20590	3.0
277.21628	9.3
290.92395	0.6
305.21011	1.2
310.73660	0.5
322.24487	0.6
351.21405	100.0
351.25201	8.3
352.21637	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2318
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
55.05516	10.8
57.07070	9.1
65.73037	4.6
67.05505	24.7
69.07053	18.3
69.22813	36.1
69.23235	12.3
71.04971	6.0
79.05502	21.9
80.76226	4.3
81.07054	31.2
83.04962	5.3
83.08598	14.0
91.05466	23.7
92.36625	4.7
92.38319	4.4
93.07041	34.0
95.04957	13.0
95.08601	40.4
97.06525	5.6
105.07034	41.4
107.08588	35.2
109.06522	5.5
109.10149	27.6
111.08068	6.3
117.07040	8.8
119.08575	50.0
121.10138	47.2
123.11682	12.4
128.06230	7.0
129.07004	6.8
131.08546	25.5
132.09338	5.0
133.10112	27.8
135.11696	18.6
137.05943	15.7
142.07791	9.7
143.08592	18.5
144.09422	6.5
145.10120	34.9
147.11661	10.1
149.13202	5.4
155.08551	11.0
156.09238	4.9
157.10118	31.5
159.11703	24.8
161.13249	13.9
165.07039	5.8
167.08582	10.7
168.09244	5.8
169.10129	13.1
170.10881	5.8
171.11647	24.8
173.13283	15.5
175.14886	5.0
179.08534	5.8
181.10124	11.0
183.11670	22.5
185.13220	12.8
187.11092	6.0
187.14813	20.6
193.10074	8.1
194.10960	5.1
195.11748	12.5
197.13271	16.6
199.14854	9.0
209.13223	15.3
211.11150	5.2
211.14780	11.0
213.16386	4.9
221.13376	7.5
223.14691	9.6
225.16364	8.5
229.12103	5.7
237.16501	6.1
239.14285	6.0
239.17926	7.5
240.18526	4.9
252.18840	6.0
265.19531	9.9
277.15790	5.5
305.22787	5.4
333.21985	11.4
351.23166	100.0
351.30353	12.8
352.24210	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62855	0.8
53.03944	2.5
55.01865	7.7
55.02047	0.7
55.05516	12.1
55.19949	0.8
55.71270	0.9
56.96562	5.5
57.03043	1.1
57.03429	6.2
57.07072	3.2
65.03955	1.2
67.05145	1.6
67.05505	23.4
69.03437	2.5
69.07080	11.5
69.18790	1.0
70.06618	1.1
71.04993	2.1
71.08652	1.9
71.49622	1.0
71.49999	1.4
79.05493	28.1
81.03425	1.6
81.07056	53.9
82.07394	1.4
83.04979	4.4
83.08617	5.3
85.02922	1.3
85.06544	1.9
89.82659	0.9
90.24473	1.0
91.05476	17.9
93.07044	32.1
95.04968	3.4
95.08615	18.2
97.02905	1.2
97.06537	4.4
97.10165	3.1
99.08100	1.9
105.07027	22.2
107.04977	1.6
107.08595	23.9
109.06516	15.5
109.10169	10.4
111.04442	15.7
111.08077	2.0
117.06982	5.0
119.08584	21.7
119.09393	1.7
121.06516	1.4
121.10149	16.0
123.08055	3.8
123.11716	2.8
125.06002	3.8
125.09628	1.3
129.06996	2.9
131.08588	8.5
133.06590	1.3
133.10123	22.2
135.08081	4.5
135.11707	17.1
137.05974	100.0
137.09608	3.8
137.13275	1.5
138.06334	3.3
139.07539	1.8
143.08589	5.7
145.10123	8.0
147.08076	2.9
147.11673	20.7
149.09604	6.1
149.13239	10.9
151.07573	3.6
151.11212	2.4
157.10141	4.7
159.11720	6.5
161.09669	5.8
161.13243	14.6
163.03954	1.9
163.11206	5.8
163.14825	4.3
165.09149	2.9
171.11728	6.6
173.13242	4.2
175.11197	5.9
175.14760	5.7
177.12758	1.3
177.16449	1.2
179.10657	1.3
179.14310	1.7
185.13225	4.7
187.14836	1.4
189.00533	1.0
189.12733	2.0
191.14368	1.2
193.12122	2.0
199.11308	1.0
199.14757	3.5
203.14349	1.0
203.17969	6.2
213.16422	3.3
217.19536	1.8
221.19070	1.6
231.17439	10.4
231.21091	2.6
241.15851	1.1
241.19476	10.1
249.18549	10.5
259.20563	26.6
260.20959	1.8
277.14978	2.2
277.18008	32.1
277.21573	6.1
278.18503	2.1
284.61624	1.1
292.22772	2.4
295.19055	9.7
333.24271	3.4
336.83752	1.0
351.21347	40.8
351.25357	16.1
352.21631	3.0
352.25198	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69377	1.3
53.03939	2.3
55.01860	4.2
55.05509	23.0
56.96567	2.4
57.03441	10.3
57.07059	4.7
57.78128	1.3
65.03931	2.9
67.05504	55.1
69.07068	24.9
70.63325	5.2
71.04978	5.3
71.08617	3.0
73.42854	1.5
75.04450	2.9
77.03940	1.6
79.05022	2.0
79.05492	69.7
81.07056	78.4
83.04973	3.9
83.08629	9.0
85.06538	4.9
91.05477	56.9
93.07042	99.4
94.07354	1.9
95.04951	6.2
95.08607	50.2
97.06517	7.4
97.10154	3.4
99.08080	4.4
105.07027	67.4
107.04969	3.1
107.08593	61.8
109.06503	4.9
109.10149	19.1
111.04424	2.4
111.08100	1.9
111.11689	2.8
113.09663	2.9
113.86758	1.6
116.65373	1.3
117.07039	13.2
119.08585	62.3
120.08900	1.9
121.06481	2.0
121.10144	44.6
123.08054	3.6
123.11687	7.1
125.09628	3.2
129.07018	9.5
131.08566	21.8
133.10126	55.1
135.08067	3.5
135.11693	47.3
136.12054	1.8
137.05968	20.6
137.09619	3.3
137.13216	2.5
139.11165	1.8
142.07854	2.1
143.08580	11.2
145.10126	23.6
147.08020	2.2
147.11681	53.6
149.09583	3.8
149.13248	29.5
151.11147	5.4
157.10162	11.1
159.11700	19.8
161.09619	5.9
161.13257	43.9
163.03839	3.1
163.11183	4.8
163.14813	11.4
165.12769	2.6
171.11687	18.3
173.13278	15.2
175.11169	5.6
175.14824	21.5
177.12737	3.2
177.16357	1.6
179.10719	2.0
181.12167	1.4
182.48177	1.4
185.13249	14.3
187.14771	4.2
189.12767	4.7
189.16371	2.1
195.13940	1.8
199.14813	7.3
201.16388	3.5
203.14308	3.6
213.16406	6.1
215.17888	2.7
217.15762	1.9
217.19557	5.9
221.15398	1.8
231.17421	5.6
231.21091	8.2
240.63264	1.5
241.19531	34.1
241.21687	1.5
242.19916	2.4
249.18518	2.1
259.20569	100.0
260.20874	5.1
264.10034	1.7
277.18011	10.0
277.21597	17.8
295.19086	1.9
304.27420	1.4
305.21017	2.6
305.24738	2.6
315.23129	3.0
333.24261	12.0
351.21286	23.9
351.25290	68.4
352.25278	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86236	1.2
53.03944	2.4
55.01856	4.7
55.05251	1.8
55.05513	24.2
56.22305	1.1
56.96560	8.1
57.03432	16.6
57.07062	3.3
57.16573	1.5
57.93031	1.2
60.35890	1.1
60.39572	1.1
65.03947	2.0
67.05504	62.1
69.03429	1.4
69.07065	23.8
70.75713	1.4
70.76057	3.3
71.04977	4.5
71.08630	58.9
75.04469	1.3
77.70962	1.2
79.05020	2.3
79.05492	57.8
81.03414	8.2
81.07055	68.0
83.04982	11.5
83.08618	14.8
85.06542	2.8
91.04910	2.5
91.05475	39.0
92.05811	1.4
93.07043	72.3
94.07394	1.5
95.04967	16.3
95.08601	39.5
97.06529	12.6
97.10171	4.4
98.97570	1.4
99.08092	37.6
104.90189	1.2
105.07030	32.6
107.04945	6.7
107.08585	39.8
109.06506	4.7
109.10155	18.6
111.08068	2.5
113.05952	1.1
113.09635	2.1
117.07027	6.0
119.08583	26.3
121.09253	1.8
121.10136	32.0
123.08003	2.9
123.11693	3.4
129.06990	5.6
131.08554	8.4
133.10124	21.2
135.08040	2.3
135.11691	38.9
136.12004	1.8
137.09622	3.5
139.11160	1.2
141.09090	4.1
143.08536	4.2
145.10109	8.8
147.11673	18.9
149.09552	1.5
149.13264	16.4
151.11180	21.2
153.12756	1.6
157.10124	2.7
159.11707	8.4
161.13245	18.5
163.03940	2.7
163.11186	9.9
163.14824	4.5
165.12766	1.6
167.10617	2.6
171.11674	7.0
173.13261	4.5
175.14813	5.4
177.12753	4.8
179.14307	100.0
180.14684	3.4
185.13249	4.7
189.12759	3.0
189.16495	1.8
199.14767	2.9
203.14479	1.8
213.16411	2.7
217.19556	1.5
221.15356	3.5
231.17561	1.7
231.21089	1.6
235.16916	4.9
237.00761	1.4
241.19475	8.6
247.08574	1.8
259.20584	26.7
264.10202	1.7
277.21619	38.1
291.12845	3.3
309.13779	6.9
339.23743	1.2
351.21594	3.1
351.25314	42.6
352.25574	2.2
365.16064	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01873	2.4
55.05514	8.5
56.96552	1.0
57.03193	0.7
57.03432	5.9
57.07066	1.8
58.12067	0.5
65.03931	1.3
67.05504	20.3
69.03423	0.7
69.07067	6.3
69.78302	1.6
69.78729	1.9
70.42896	0.5
71.08253	0.7
71.08629	12.6
79.05494	12.3
80.04998	0.7
81.03400	2.4
81.07055	16.1
81.07535	1.0
83.04977	2.2
83.08626	4.0
85.06533	1.3
91.05479	10.1
93.07043	15.0
95.04977	4.1
95.08607	9.1
97.06527	2.4
97.10170	3.0
99.08098	11.5
105.07030	9.1
107.04942	1.3
107.08592	8.3
108.08942	0.5
109.06525	1.1
109.10166	6.5
111.08069	2.2
111.95520	0.5
112.74554	0.6
116.86302	0.5
117.07010	2.1
119.08572	7.0
121.10140	5.5
123.08028	1.3
123.11695	1.4
125.09626	2.2
129.07021	1.3
131.08525	1.5
133.10120	5.1
135.08040	0.8
135.11700	4.5
139.11171	0.7
143.08580	1.5
145.10100	2.9
147.11714	4.2
149.02342	1.6
149.13222	3.2
151.11176	6.7
157.10109	1.5
159.11700	1.4
161.13255	6.3
163.11194	3.1
163.14783	1.7
165.12759	1.2
171.11693	1.6
173.11873	0.7
173.13274	2.1
175.14841	2.1
177.12762	0.5
179.14328	4.3
185.13228	1.3
189.11160	0.8
191.54755	0.6
193.05003	2.0
193.15735	0.6
199.14851	0.9
207.13911	0.8
213.09772	0.7
217.19533	0.8
218.51962	0.5
221.15468	0.6
231.21143	1.6
239.11171	0.6
241.19435	3.0
243.03505	0.6
249.22105	0.9
257.12424	0.8
259.20599	5.1
275.20135	0.7
277.21640	11.1
289.84012	0.6
292.22687	1.4
305.20895	1.1
351.21420	100.0
351.25311	14.2
352.21347	4.6
352.25079	1.9
369.19168	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.05509	11.9
56.96566	37.6
57.03444	6.0
57.07065	1.8
65.16918	1.0
67.05141	1.6
67.05506	32.9
69.03397	1.1
69.07065	11.1
71.04980	2.2
71.08624	2.6
71.45667	2.1
71.95251	2.6
72.96068	1.0
73.21912	1.1
73.50556	0.9
74.01080	0.9
74.97623	2.2
75.04495	1.6
77.03909	1.5
77.04438	0.9
79.05495	43.8
81.07054	36.5
83.04973	1.9
83.08609	4.9
84.96008	1.5
85.06552	2.4
91.04916	1.7
91.05481	31.3
92.73363	1.0
93.07045	58.5
95.04973	7.2
95.08612	24.4
97.06553	2.5
97.10197	1.9
97.96816	1.6
99.08092	4.0
103.05383	1.1
105.00165	1.0
105.07027	36.8
107.04942	1.4
107.08594	37.6
107.09329	2.1
108.08920	1.2
109.06538	3.5
109.10165	10.1
113.09644	2.0
115.00681	1.5
115.97829	1.1
116.98615	2.2
117.07011	7.6
119.08584	32.6
121.06478	1.3
121.10142	27.7
123.01232	2.1
123.08059	1.6
123.11691	2.5
128.06219	1.3
128.98616	3.8
129.07016	4.0
131.08572	12.8
133.10132	34.0
135.08084	1.7
135.10713	2.1
135.11690	27.5
137.02745	1.9
137.09628	2.2
139.11160	1.4
141.02292	1.2
143.08525	6.5
145.10114	14.9
146.10588	1.3
146.99660	4.2
147.03314	1.9
147.11693	31.5
149.01208	1.2
149.09648	2.5
149.12093	1.2
149.13271	17.6
151.11235	1.5
153.02170	1.6
153.12784	1.0
155.03802	2.0
157.01695	1.5
157.10146	6.9
159.11681	12.1
161.01236	1.6
161.09596	1.6
161.13254	19.5
163.11166	2.5
163.14850	5.7
165.12750	1.5
168.30188	1.0
168.44472	1.0
169.01770	1.4
169.10199	1.2
171.03326	4.3
171.11679	7.8
173.04881	3.7
173.13258	7.6
175.02777	1.9
175.14857	9.4
177.12738	2.0
177.16364	1.5
183.03346	2.2
183.11641	1.2
185.04868	4.0
185.13261	7.3
187.02744	1.2
187.14810	1.6
189.04388	4.6
189.07974	1.7
189.12827	2.1
189.16360	1.3
191.05966	1.9
197.08597	1.1
199.06374	5.7
199.14818	6.0
201.04535	1.1
201.07855	1.8
203.05960	5.0
203.14340	2.0
205.07396	1.6
209.13260	1.2
211.06400	1.3
213.08026	2.3
213.16367	3.5
217.07484	5.3
217.15997	1.9
217.19516	2.2
223.02776	1.3
225.07846	2.0
227.05826	1.5
227.09454	1.4
229.07373	1.8
231.09050	4.3
231.17426	2.1
231.21037	6.1
235.16948	1.4
237.07933	2.0
241.11156	1.8
241.19492	23.1
243.09062	12.8
255.08990	5.6
259.12445	1.3
259.20581	55.8
260.20868	1.6
261.10080	10.0
273.10129	3.1
277.21701	8.5
315.16345	1.7
323.18814	2.6
333.17328	38.6
333.23749	5.0
334.17737	1.6
351.18436	100.0
351.25192	40.0
352.18744	9.4
352.25677	1.3
369.19489	63.7
370.19717	5.2
374.19968	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92458	1.7
53.03931	3.6
55.01860	2.4
55.05517	19.8
56.96564	44.4
57.03447	8.4
57.07059	4.2
67.05141	2.5
67.05502	46.8
69.07073	16.5
71.04987	3.0
71.08618	5.2
71.32855	4.4
71.95256	4.5
75.04431	2.8
79.05495	55.7
79.37140	2.3
81.03403	2.1
81.07051	55.2
83.04973	5.0
83.08609	9.6
84.96030	2.0
85.06520	4.0
91.04916	3.1
91.05476	54.3
91.47968	1.7
93.07044	85.4
95.04940	9.8
95.08608	42.0
97.06529	7.4
97.10168	2.9
99.08061	2.4
105.07030	59.5
107.04893	2.0
107.07901	3.0
107.08595	52.3
109.06530	4.1
109.10160	16.7
113.09659	2.4
117.07029	9.6
119.08579	60.8
121.10144	37.0
123.01140	1.8
123.08060	3.0
123.11678	4.1
125.09658	2.8
128.98607	3.8
129.07001	8.5
130.75357	1.5
131.08588	21.5
133.10127	50.8
135.08109	2.7
135.11678	35.0
141.02260	2.5
143.08565	10.2
145.10115	24.0
146.99643	4.1
147.11685	50.6
149.09631	4.0
149.13268	18.2
151.11165	3.2
153.12801	3.4
157.01741	2.2
157.10146	10.6
159.11664	21.9
161.13248	35.6
163.11169	3.5
163.14803	7.4
165.12723	2.9
169.01646	2.2
171.03191	3.2
171.11678	14.2
173.13220	9.5
175.14807	18.2
177.04253	2.0
177.12724	2.5
182.87785	1.8
183.11607	2.6
185.04773	4.9
185.13179	13.9
187.14803	3.1
189.04335	3.5
189.12653	1.9
191.14288	2.0
199.06499	5.1
199.14821	8.2
203.05887	5.7
205.07329	1.9
211.15375	1.7
213.08002	5.1
213.16319	5.7
217.07541	11.2
225.07950	4.4
229.07416	3.7
229.54732	2.0
229.57347	1.9
231.09033	5.0
231.21017	10.6
236.43463	1.7
237.07938	3.1
241.19511	31.0
243.09140	4.3
249.22144	3.6
251.09485	2.4
253.10846	2.5
255.09047	20.1
257.10840	2.0
259.20569	100.0
260.21063	2.5
261.22049	2.5
267.09030	7.8
269.10608	17.1
273.10080	14.7
277.21640	24.7
278.10632	3.9
285.10083	17.0
287.11621	7.6
295.22827	4.3
303.10959	3.0
315.16251	2.3
333.17322	18.4
333.24078	2.7
351.18454	62.6
351.25259	74.9
352.18683	4.1
352.25406	3.8
369.19455	40.4
370.19843	2.1
374.19818	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01856	3.3
55.05506	23.7
56.05042	1.8
57.03444	17.4
57.07056	4.6
66.07153	1.7
66.68011	1.7
67.05505	63.7
69.07071	18.9
70.75208	5.9
71.04984	2.8
71.08250	3.9
71.08632	61.7
79.05494	44.7
81.03421	9.3
81.07056	59.8
83.04980	9.5
83.08615	12.0
85.06555	4.0
91.05475	32.7
93.07043	67.5
95.04968	15.9
95.08607	47.2
97.06530	11.1
97.10152	5.1
99.08094	40.0
105.07034	22.9
107.04963	12.0
107.08577	33.3
109.06512	4.4
109.10166	18.5
111.08053	3.4
113.09664	2.4
117.06995	7.2
119.08586	17.7
121.09331	3.4
121.10149	29.9
123.08039	3.2
123.11716	3.0
127.11165	3.5
129.07025	1.9
131.08585	9.7
133.10130	14.1
135.08128	3.2
135.11681	35.4
136.85558	2.0
140.65524	2.1
141.09149	4.6
143.08492	2.3
145.10133	6.3
147.11658	10.9
149.13260	15.0
150.12752	3.2
151.11185	29.1
159.11671	5.9
161.13249	13.1
163.11168	9.9
163.14821	3.0
165.12715	2.7
167.10663	2.9
171.11732	2.6
175.14857	2.2
177.12625	3.9
179.14297	100.0
180.14670	2.6
185.13234	3.3
189.12793	4.2
194.15317	2.9
195.13745	3.4
213.16347	3.2
226.14267	2.8
235.16901	5.9
241.19553	3.5
259.20670	9.1
277.21634	33.7
292.22610	12.5
293.21161	9.4
310.23819	3.8
351.25302	30.2
352.24744	21.4
365.84766	2.1
367.17609	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90551	1.4
53.03939	4.5
55.01860	3.5
55.05508	22.2
57.03444	12.6
57.07066	5.1
61.91911	1.4
65.03921	2.0
67.05503	58.1
69.03398	1.9
69.07077	18.0
69.53146	11.2
70.09380	1.4
71.04977	4.1
71.08631	67.9
79.05491	41.9
80.05032	1.8
81.03416	8.5
81.07053	59.2
83.04980	9.5
83.08617	12.5
84.86943	1.6
85.06535	4.0
91.05473	31.7
91.63757	1.4
93.07046	55.3
94.06562	2.3
95.04987	10.9
95.08604	40.9
97.06511	10.6
97.10157	5.8
98.21479	3.8
99.08099	42.6
100.31511	1.6
105.07028	22.2
107.04943	8.4
107.08594	30.9
109.06494	5.1
109.10166	14.4
111.08067	2.0
113.09638	3.1
117.07003	5.8
119.08573	16.1
121.06495	2.6
121.10138	25.8
123.08062	3.0
123.11685	2.8
129.06972	3.1
131.08533	8.3
133.10124	15.3
135.10721	3.1
135.11693	39.1
137.09592	5.9
139.07433	1.6
141.09117	4.7
143.08557	3.2
145.10139	6.1
147.11664	6.9
149.13283	10.4
150.12759	3.4
151.11186	29.1
154.12303	2.3
157.10147	3.9
159.11664	5.0
160.33714	1.5
161.13277	15.5
163.11186	6.9
163.14830	2.5
164.14346	2.6
165.12747	3.4
167.10683	3.7
171.11690	2.9
173.13216	3.6
177.12733	7.5
179.14310	100.0
180.14645	4.4
185.13278	2.0
189.12679	2.4
194.15369	4.5
202.77084	1.7
207.36867	1.7
208.13174	2.4
212.16460	4.7
221.15347	2.9
226.14368	5.9
235.16917	6.1
254.17491	2.0
259.20483	10.3
264.23270	3.5
274.21573	3.1
275.19943	3.3
277.21640	36.4
292.22656	21.5
293.21088	19.3
310.23581	7.7
334.23874	4.8
351.21274	2.8
351.25269	36.7
352.24802	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	352.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01871	1.5
55.05509	0.9
56.96557	3.0
57.03428	2.8
58.06330	0.8
58.06604	16.7
59.05003	1.0
60.04520	1.3
61.02929	4.5
62.02056	0.7
62.42009	0.6
67.05507	1.6
69.03432	10.2
69.07072	9.3
69.50645	4.5
70.06599	4.1
71.01352	0.7
71.04984	2.2
72.08154	2.0
73.02909	2.1
73.89344	0.7
74.06068	1.5
81.03425	5.7
81.07058	1.2
83.01373	0.8
83.04989	1.6
84.04476	0.9
84.08142	4.2
85.02909	24.3
85.06541	0.9
86.06070	0.7
86.09710	7.8
86.73980	0.6
87.04453	1.9
91.03951	1.4
91.05485	0.8
97.02893	9.9
98.06063	0.9
98.09708	0.9
98.20776	1.1
98.97595	3.7
99.04491	1.6
99.06808	0.8
100.07619	1.0
105.21195	0.7
109.02875	2.7
109.06526	1.1
109.10171	0.7
110.07156	1.2
110.97576	1.1
111.04468	0.8
112.07608	1.2
114.09159	4.6
116.98616	3.6
120.08095	1.8
126.12802	22.3
127.03941	6.4
128.10776	0.6
128.98639	1.2
129.10274	1.2
134.99696	2.4
136.07634	0.9
142.08704	0.6
143.01933	0.7
144.13843	72.1
145.01755	0.7
145.04970	2.4
146.06049	1.1
146.99651	2.0
154.08620	0.6
155.07019	2.4
158.99657	1.3
162.05521	16.3
165.00742	0.7
172.09669	1.7
172.13367	5.8
173.08090	1.5
177.00703	2.2
190.05011	20.4
190.06810	1.5
190.10748	2.6
190.14394	100.0
191.05432	0.7
200.04451	0.8
201.76413	0.6
207.27988	0.6
208.99657	0.7
214.14391	0.8
219.01816	1.3
220.11880	1.0
232.99641	1.1
237.02768	1.9
255.03734	0.7
260.49506	0.6
272.06628	1.2
275.05252	0.8
292.07986	1.0
309.08606	1.5
310.09033	3.3
316.17474	1.0
345.83652	0.7
352.10123	3.7
352.15536	1.0
352.19171	6.9
353.08420	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	352.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01916	0.4
55.05559	0.5
55.47556	0.4
56.05091	0.7
56.96612	0.4
57.03474	0.6
61.02969	0.4
65.04005	0.4
67.05568	0.5
68.34103	0.4
69.03507	1.4
69.07133	0.6
69.16280	0.4
70.06598	3.7
71.05070	3.1
72.08231	0.7
72.08716	0.4
79.05558	0.8
80.05025	2.0
81.03474	0.5
81.07116	0.5
82.06642	0.7
83.10948	0.4
84.04562	0.7
84.08226	1.4
85.02980	1.7
85.06626	0.8
86.09785	1.9
88.07703	0.5
91.05547	0.6
92.05094	0.6
94.06634	1.0
95.05010	0.5
96.08134	2.0
97.02962	1.1
98.06130	1.3
98.97652	0.5
100.07623	5.0
106.06563	3.8
107.07381	0.5
108.04572	0.6
108.08217	0.6
110.06134	1.1
110.09770	0.6
117.05808	0.6
118.06643	0.8
120.04471	3.4
120.08125	5.7
121.05340	1.2
121.06586	1.0
124.04035	0.5
124.07590	4.6
129.04582	0.9
129.10281	0.8
130.06535	3.8
131.06108	0.5
132.04547	1.2
132.08194	1.5
133.08968	0.4
134.09641	3.3
136.07632	1.0
138.05569	0.6
138.09221	1.7
143.07350	0.8
144.08096	9.4
145.08958	1.4
145.85117	0.4
146.06110	0.8
146.09743	1.0
148.07568	7.3
149.08456	1.2
150.09233	1.9
155.07109	1.2
157.07623	0.6
159.09251	0.7
160.07645	0.5
162.05611	0.6
162.09145	7.3
163.05086	0.8
163.09930	27.1
165.87332	0.4
168.06895	0.5
169.07567	0.5
171.09268	0.7
172.07657	1.2
173.08180	1.4
175.08688	4.4
178.08754	1.6
181.07362	4.8
181.08615	0.4
182.08270	0.7
183.05579	3.0
183.09146	0.5
185.07095	3.0
188.07112	1.1
188.09460	0.9
189.10316	1.5
190.05078	0.7
190.08733	1.9
190.10634	1.0
190.14420	0.8
197.07098	7.0
204.09047	1.2
207.09129	0.4
209.07224	1.4
211.08644	3.1
219.07721	0.7
221.07094	7.0
221.08943	0.5
223.08701	4.3
229.17616	0.5
229.50150	0.6
234.99048	0.7
235.08710	1.8
236.08191	3.9
237.09081	1.5
238.09740	5.2
247.08701	1.2
248.08224	0.7
250.09784	1.9
251.10391	0.5
252.11121	0.5
260.09247	0.4
261.10330	0.5
262.09824	4.9
262.13239	0.9
263.10464	0.4
264.11279	0.7
266.09201	2.1
273.10345	1.2
274.09521	0.9
275.10385	2.2
278.12860	1.6
280.11945	1.1
280.14685	0.9
288.11179	2.0
289.12247	1.2
290.12891	33.1
291.13419	0.7
306.12375	1.6
307.13211	0.5
308.13937	100.0
309.14224	3.0
334.11838	1.3
350.44431	0.4
352.12875	51.1
353.12979	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	352.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01889	0.9
55.05511	1.9
56.05032	1.8
56.33355	0.7
67.04204	0.6
67.05502	1.3
69.03418	2.5
69.07041	1.1
70.06596	10.9
71.05006	1.2
71.06889	2.1
72.04518	0.9
72.08149	1.8
74.06080	1.4
79.05489	1.8
80.05022	1.8
81.05793	1.1
81.07047	1.5
82.06587	7.8
83.04984	1.0
83.07359	0.7
84.04502	3.1
84.08140	5.3
85.02905	3.2
85.06557	0.8
86.06030	1.1
86.09707	3.6
88.07620	1.1
91.05472	1.8
93.07053	1.1
94.06574	2.0
95.04968	6.9
95.07371	1.5
95.08622	0.9
96.04498	1.1
96.08141	8.4
97.02882	1.5
97.06532	1.4
98.06045	1.5
98.97559	1.3
99.06845	0.7
100.07619	100.0
101.00301	0.7
101.06004	0.8
108.04504	0.9
108.08131	2.2
109.06518	1.4
109.08900	3.6
109.10162	1.4
110.06062	1.1
110.09682	8.8
111.04465	1.4
112.07603	2.3
113.08387	4.7
114.09133	1.1
115.08662	0.9
120.04481	3.7
120.08105	41.1
121.00755	0.8
121.06514	23.6
124.07598	5.8
127.03935	0.7
127.07558	0.8
129.10239	1.2
130.06534	2.2
136.07573	5.8
137.08360	10.7
138.09148	33.7
139.03879	0.9
139.07555	1.4
144.04408	0.8
147.05486	1.4
149.49367	0.7
151.05011	1.4
155.07051	1.5
155.09421	4.2
155.10715	2.5
156.10214	8.3
157.11012	2.8
157.29704	0.7
161.02312	0.9
162.05582	0.9
163.03784	1.8
163.05040	17.7
166.08691	1.5
172.05948	0.9
173.08072	1.6
174.05624	0.9
175.05040	0.8
177.00742	0.8
179.04547	2.2
179.07092	0.8
190.04996	1.2
190.08705	1.9
190.10687	1.0
190.14427	1.7
197.05611	1.2
218.06807	1.1
219.07675	10.0
253.08353	2.0
271.11023	0.8
279.15765	0.9
292.12909	2.4
299.12750	2.6
300.13440	1.9
302.14951	6.1
306.14557	2.4
308.13962	2.3
317.13925	1.9
318.14612	2.6
320.13394	0.8
334.13940	4.7
352.10651	1.6
352.15063	21.3
352.19214	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	352.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.5
57.03436	4.7
67.05518	2.7
69.07079	2.2
69.27823	9.9
69.28249	5.8
72.08162	4.1
79.05492	6.0
81.07055	58.4
84.08154	1.9
85.02896	3.6
86.09715	2.5
90.06355	1.6
91.05457	2.3
93.07054	2.2
95.05003	2.4
97.06540	2.9
99.08096	100.0
103.05458	4.0
105.07048	2.1
107.04947	6.8
115.05460	4.6
120.08124	8.9
121.06549	1.9
123.04459	1.6
128.06172	2.0
130.04166	1.8
130.06531	21.3
131.04942	6.8
132.05714	3.4
132.08076	28.1
133.10141	2.0
136.06192	12.5
137.09618	3.2
142.06537	3.8
144.06990	3.3
144.08073	22.3
146.04945	1.8
146.06030	7.8
147.04391	3.5
149.09311	1.9
149.79259	2.0
155.10666	42.1
155.11929	2.1
159.08051	1.7
159.09181	50.9
160.07570	4.4
161.06001	1.9
167.07028	24.2
170.06021	10.8
173.11734	51.6
177.05583	1.9
191.06998	14.0
192.07855	8.0
199.07578	5.8
202.07733	1.8
203.08595	3.8
218.07344	4.8
221.20479	1.9
233.09698	4.4
246.06865	2.8
247.07510	1.9
260.13611	5.1
261.09195	7.1
274.06064	1.9
278.09360	2.5
289.08609	7.5
290.09277	2.2
291.06625	1.8
293.11765	3.5
306.08780	3.3
321.11209	15.0
322.11908	2.9
323.09271	2.2
335.13965	22.7
335.17905	3.0
335.22940	2.1
353.13770	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	352.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.01895	1.3
55.05503	0.8
56.05036	1.3
56.96559	2.8
57.03433	2.9
58.06602	16.2
59.04972	0.6
60.04528	1.0
60.46490	0.5
60.62394	0.5
61.02941	3.7
67.05505	1.5
69.03432	9.7
69.07066	7.6
69.70831	4.0
70.06592	3.6
71.04992	1.4
72.08150	1.6
72.55396	0.6
73.02908	2.6
74.06062	0.8
74.45731	0.7
81.03419	3.9
81.07056	1.3
84.04475	0.9
84.08150	4.6
85.02911	24.4
85.06551	1.0
85.24500	0.6
86.09706	6.2
87.04463	1.9
91.03969	1.3
91.05516	0.9
95.04952	0.9
97.02898	9.6
98.97585	5.2
99.04469	2.0
100.07571	1.0
100.23911	0.7
104.69733	0.6
108.08147	0.7
109.02888	1.8
109.06567	0.9
110.07229	0.8
110.97607	0.7
113.02467	0.7
114.09159	2.6
115.88100	0.6
116.98623	5.4
119.01818	0.9
120.08109	1.0
123.04353	0.6
126.12801	19.1
127.03926	6.3
129.05482	0.6
134.99660	2.3
136.06256	0.7
136.07553	0.9
137.05974	0.9
144.13844	65.2
145.04962	3.2
145.14232	0.7
146.06007	1.3
146.99643	0.7
154.08623	1.1
155.07047	2.5
158.99687	1.6
161.01222	1.1
161.02943	0.7
162.05505	16.2
163.02705	0.8
163.03963	0.7
172.09695	1.6
172.13315	5.7
173.08170	1.2
177.00742	1.9
189.00716	0.8
190.05002	19.9
190.06778	1.3
190.14394	100.0
191.05365	1.2
191.14705	1.1
203.97458	0.7
210.33113	0.8
219.01787	1.3
220.11919	1.0
227.11804	0.7
232.99594	0.9
237.02827	2.1
251.00818	0.8
272.06613	2.4
275.05359	1.1
279.14920	0.7
292.07831	1.0
309.08786	1.3
310.08908	4.1
314.23230	0.7
352.10226	3.7
352.15591	1.4
352.19284	7.9
352.68433	0.8
353.08398	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	352.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71300	0.5
53.03938	0.8
55.01870	1.3
55.05500	0.8
56.05027	0.8
56.96553	2.1
57.03419	1.8
58.06580	1.9
60.04517	1.7
61.02922	3.0
67.05494	1.1
69.03423	8.4
69.07050	2.3
70.06586	12.8
70.65788	2.0
71.04980	1.2
72.08158	1.1
73.02909	1.8
75.68754	0.6
76.50344	0.6
81.03425	3.6
83.04987	1.1
84.08140	3.4
85.02905	20.8
86.09705	5.7
87.04452	2.1
91.03952	2.1
95.04928	1.0
95.06142	0.7
95.08598	1.0
97.02900	6.3
97.10180	0.6
98.97578	1.6
99.04436	1.4
100.07623	3.6
100.08717	0.5
102.05570	0.7
109.02879	2.2
109.71227	0.6
111.04436	0.7
114.09154	2.5
116.07085	3.9
116.98598	2.0
120.08099	1.4
122.06045	0.7
126.12786	18.8
127.03899	4.2
128.98610	1.0
140.07025	3.1
143.07059	0.6
144.13834	54.3
145.04929	1.9
146.06075	0.8
146.99622	0.9
154.12212	0.8
158.99663	1.2
161.01097	0.7
162.05510	1.5
164.66014	0.6
172.09686	0.7
172.13333	7.7
174.05542	1.1
177.00674	0.9
190.04982	1.4
190.14381	100.0
191.03941	0.7
191.14716	1.5
194.06090	0.7
214.14403	0.9
219.01845	0.8
221.04994	0.6
232.15550	0.9
237.02847	1.7
260.09259	0.6
272.06522	1.9
310.09079	0.8
316.17487	0.8
334.18387	1.6
352.10071	2.5
352.19363	3.4
352.22375	4.4
353.12872	0.8
378.52261	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	352.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
56.96545	1.9
57.07046	0.5
60.04523	1.0
67.05511	4.3
68.68372	0.6
69.07056	2.3
71.08621	1.8
71.23679	0.9
79.05071	0.6
79.05483	3.2
80.05003	1.4
81.03406	0.8
81.07040	2.6
83.04958	0.7
83.08614	1.0
91.05462	2.5
93.07031	2.4
93.37110	0.6
95.04935	0.7
95.08605	2.9
97.06505	1.0
97.10165	0.7
99.08093	1.2
105.07008	2.0
107.08585	2.2
108.08092	0.8
109.10138	1.5
109.16090	0.6
119.08587	1.9
121.10149	0.9
131.08575	0.8
133.10117	1.5
143.03247	0.6
145.10144	1.3
151.11137	1.3
155.57938	0.7
159.11716	0.7
161.09666	0.6
162.02727	0.6
204.13937	0.7
222.14911	0.9
255.59692	1.2
264.60349	1.5
265.10501	0.7
273.60889	0.6
274.21567	0.8
275.20007	2.1
289.57208	0.6
292.22733	3.8
293.21185	0.8
327.31448	0.6
334.19672	1.7
334.23724	3.4
352.21640	100.0
353.22092	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	352.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	17.7
55.05499	22.0
56.96551	18.3
57.03418	18.4
61.95940	9.8
67.05520	51.5
69.03432	25.2
69.07052	39.7
69.99120	36.9
69.99541	20.1
70.06580	15.3
72.08150	12.3
79.05476	49.1
81.03398	36.2
81.07048	49.9
83.04950	19.1
83.08629	17.4
84.04521	11.6
84.08126	21.8
85.02914	27.2
86.09712	11.9
91.05483	34.8
93.07043	31.1
95.04950	33.3
95.08584	32.3
97.06529	87.8
98.97630	14.4
105.07013	26.7
106.03874	11.3
107.04925	11.6
107.08581	32.8
109.10139	25.3
111.03587	10.3
111.08107	11.2
116.98629	17.2
117.06969	10.8
118.06575	9.7
119.08562	20.6
121.10151	22.8
123.11610	10.7
131.04959	15.0
131.08551	17.5
132.05658	14.9
133.10106	32.8
137.09567	10.6
145.10089	16.3
147.07979	14.7
147.11693	15.4
151.07472	19.8
151.11191	12.6
158.99631	11.2
161.06009	15.5
163.03865	18.0
167.07104	12.2
169.10056	13.2
178.02548	14.6
179.10719	10.4
192.07745	21.0
193.12244	28.4
222.11148	16.4
261.09076	10.3
263.07019	20.0
265.12238	14.0
276.90991	11.8
277.08566	11.7
281.11975	9.9
285.17081	16.7
299.08997	13.1
310.04764	10.3
319.09811	11.1
321.11093	14.1
325.14331	15.2
334.01288	9.9
338.04047	20.0
352.12457	35.2
352.16525	33.3
352.24792	31.1
353.06808	75.0
353.13727	100.0
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
51.68180	1.5
53.03956	2.7
55.01861	3.3
55.05512	16.2
56.05030	4.9
56.96564	3.4
57.03422	3.0
57.07058	2.1
58.06593	5.6
60.04523	13.8
65.03938	2.8
67.05508	36.8
68.05017	2.4
68.05832	1.7
69.07074	37.7
69.77286	8.5
70.06587	3.4
71.08621	3.5
79.05495	29.0
80.05027	26.4
80.05772	1.7
81.03396	3.2
81.05801	2.0
81.06612	2.4
81.07065	34.5
82.06565	4.5
82.07383	1.6
83.04987	5.3
83.08635	8.3
84.08118	3.0
85.06574	2.3
86.09717	1.6
90.12017	1.3
90.35515	1.2
91.05475	25.1
92.05009	1.6
92.05814	1.4
93.05803	3.3
93.07047	21.1
94.06570	18.5
94.07192	1.8
94.07298	1.2
95.04971	10.1
95.07364	3.3
95.08604	22.6
96.08113	2.4
96.32546	1.5
97.06530	6.6
97.10177	8.1
98.09690	1.7
98.20831	2.2
99.08100	2.2
100.07532	1.5
105.07034	29.9
106.06544	4.8
106.07298	1.5
107.04979	3.1
107.08595	23.3
108.08125	11.6
109.06522	2.1
109.10167	12.2
111.08103	1.6
117.07055	7.1
119.08580	20.4
120.08099	4.7
120.08900	1.7
121.06521	2.7
121.10150	10.2
122.09662	2.1
123.11720	2.1
125.09648	4.9
125.18064	1.3
129.07010	1.6
131.08583	10.0
133.10117	18.0
134.09628	3.8
135.08054	3.0
135.11714	5.0
136.11186	3.4
137.09631	3.8
141.06876	1.6
143.08528	2.2
145.10133	10.4
147.11652	10.4
148.11153	3.6
149.09593	3.3
149.13257	2.7
151.11226	3.1
154.12273	11.3
157.10185	3.1
159.11734	6.9
161.09541	1.9
161.13289	5.8
163.03835	1.7
163.11194	4.1
164.14355	3.2
165.12750	2.3
169.10185	1.6
170.56535	1.8
171.11711	4.4
172.13370	5.2
173.11894	1.5
173.13264	6.4
175.14803	2.6
176.14354	3.1
177.12663	6.9
180.13785	2.3
183.11632	2.1
189.11230	2.9
192.13863	3.8
196.13361	2.7
197.13252	1.7
204.13812	22.7
206.15402	3.0
210.14906	2.2
222.14886	30.7
223.15544	3.1
224.16454	6.6
225.10997	3.0
226.11311	5.7
229.07487	1.6
229.19403	1.7
236.16496	3.3
237.00717	4.7
239.18004	2.6
247.08510	1.7
255.01901	2.5
256.20721	2.0
257.19058	10.0
265.10928	4.1
272.20102	3.4
274.21628	18.7
275.20010	38.5
276.20203	2.1
278.22000	2.6
290.21103	4.9
292.22711	100.0
293.20676	3.4
293.23425	2.5
306.24207	1.5
310.23917	2.3
316.22726	3.7
334.23788	16.7
352.21515	17.8
352.24908	56.8
353.25327	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	352.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73746	1.6
55.01856	2.1
55.05506	8.7
56.05020	3.4
56.96557	5.7
57.03396	1.5
57.07059	2.7
60.04508	2.5
67.05195	1.8
67.05508	20.8
69.07061	8.1
71.05016	2.1
71.08631	27.8
71.49833	1.4
71.50275	2.0
79.05488	11.0
80.05025	3.1
81.03404	5.3
81.07055	18.6
82.06577	3.9
83.08620	3.1
84.08132	5.0
85.44689	1.6
91.05482	7.8
93.07059	12.5
94.06577	9.2
95.04964	6.6
95.08601	20.6
96.04467	1.5
97.06512	3.2
99.08092	17.4
105.07030	9.3
106.06567	1.8
107.04915	2.5
107.08588	6.3
108.08160	1.6
109.06525	3.2
109.10154	8.5
110.06038	4.2
111.08051	1.5
117.07005	3.6
119.08554	4.5
121.06483	1.9
121.10143	3.3
123.08059	2.0
123.11684	1.8
126.12795	3.9
127.11211	2.3
131.08542	4.6
131.18694	1.4
133.10117	6.8
135.08151	1.7
135.11702	1.8
137.09659	3.3
139.11183	2.2
143.08588	2.6
145.10158	2.7
147.11560	2.6
149.13275	4.4
150.12759	4.6
151.11200	25.6
154.12254	6.8
155.10709	2.0
159.11769	3.6
161.09645	2.6
161.13196	1.5
163.11156	2.1
164.14320	3.1
165.12721	2.3
173.13293	1.7
176.14308	2.9
177.12759	9.0
180.13774	2.2
181.12302	1.9
191.14310	2.8
192.13821	2.3
194.15387	10.4
198.15048	2.3
208.13324	2.9
212.16510	9.9
226.14360	7.8
234.14917	3.0
236.16524	3.6
236.23637	1.6
254.17502	3.2
259.12256	2.0
264.23251	2.0
274.21600	5.7
275.19922	8.2
278.63742	1.6
292.22693	45.8
293.21082	33.7
310.23795	17.8
311.39722	1.8
314.43109	1.5
334.23734	11.5
335.29691	1.9
352.24829	100.0
353.25256	4.7
370.19891	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	352.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61126	3.3
55.05506	14.0
56.05036	6.4
56.96554	5.7
57.07069	6.4
65.01565	2.8
67.05505	31.6
69.07067	8.3
70.06584	3.1
71.04961	3.8
71.08630	37.0
71.50232	4.5
79.05499	16.3
80.05000	4.8
81.03405	6.3
81.07058	22.9
82.06572	5.5
83.04977	3.4
83.08597	6.1
84.08137	7.7
88.29561	2.7
91.05473	13.0
93.07030	17.2
94.06546	8.0
95.04961	10.8
95.08606	24.2
97.06481	5.7
99.08076	15.7
105.07031	8.6
107.08568	8.5
109.10150	13.9
110.06034	3.3
117.07021	3.5
119.08550	8.2
121.10143	8.2
123.07996	2.8
123.11702	3.8
125.07990	2.7
131.08549	6.2
133.10115	8.1
145.10114	3.1
147.11707	4.2
149.13280	7.1
150.12807	5.7
151.11171	28.6
154.12212	6.3
159.11703	5.4
171.85388	3.1
177.12770	11.1
180.13861	4.4
181.47646	3.3
191.02242	3.5
194.15459	13.5
206.15355	3.2
208.13441	3.3
212.16504	10.8
224.16653	3.9
226.14426	9.0
236.16420	7.3
242.11237	3.0
249.63307	2.9
264.23303	4.2
274.21768	6.1
275.20154	7.9
281.40662	3.0
292.22702	45.1
293.21011	35.0
310.23755	18.6
334.23758	13.8
352.12720	4.2
352.24847	100.0
370.19824	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	353.0844
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
56.96564	16.0
61.07529	4.7
69.03407	7.0
70.53307	11.1
70.53688	10.9
85.02906	8.2
97.02864	5.5
98.97571	5.7
100.99147	6.1
105.88173	4.4
112.21710	4.9
127.03899	8.3
144.98158	8.2
146.99573	7.0
149.01237	9.4
161.02980	8.8
173.02893	5.4
190.98647	9.9
206.55031	6.5
208.99721	26.4
232.99495	10.3
245.05020	9.3
248.01686	4.5
251.00783	10.1
263.06064	5.1
271.71695	5.4
272.06494	10.3
312.65295	4.7
353.08447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83495	2.4
55.01857	4.6
55.05498	5.5
55.12099	2.2
56.96548	8.0
57.03438	5.5
60.04516	5.2
61.02918	5.4
67.05492	4.0
69.03436	20.1
69.07047	4.7
69.99129	12.8
70.06583	5.9
70.06987	2.1
71.04964	5.4
72.04499	2.3
72.08146	3.9
73.02897	10.3
75.05627	4.8
79.05491	2.7
81.03410	6.8
81.07062	3.2
83.04977	8.2
84.04494	6.2
84.08115	6.9
85.02904	32.7
86.06082	3.1
86.09717	4.2
87.04481	3.9
87.14938	2.4
90.05527	2.9
91.03954	3.4
91.89765	2.3
93.07027	3.1
97.02898	18.4
98.06052	3.2
98.97582	14.1
99.04462	4.1
100.07605	4.7
107.04938	3.6
109.02870	4.3
110.06043	4.1
110.07213	3.0
110.16827	2.5
111.04409	3.3
116.98619	14.4
119.01854	5.2
122.06080	3.2
122.07146	2.7
123.04420	4.1
124.07604	3.2
127.03899	9.3
128.98596	6.4
131.01840	3.3
134.06038	3.2
134.99648	5.1
136.07593	4.2
137.02350	5.6
137.05995	2.9
140.07011	3.5
144.13846	3.4
145.04887	5.3
146.05966	4.7
146.99661	5.1
147.04395	3.7
149.01228	3.4
152.09146	3.3
155.02806	3.0
158.11925	2.6
158.99664	8.5
161.01192	4.3
161.02435	3.8
165.00722	2.7
170.03377	2.9
170.99626	3.2
174.05534	3.6
177.00748	6.4
177.05443	3.4
182.03305	3.0
185.04236	6.7
189.00710	5.2
190.04900	5.5
190.14232	4.0
191.03496	10.3
191.05380	2.7
191.08116	3.9
191.10231	5.3
191.14655	6.9
194.08199	2.6
200.04372	2.8
201.00571	2.7
208.99690	5.7
217.01178	4.6
219.01682	11.9
232.99831	2.7
237.02817	6.8
251.00728	5.1
261.03528	6.5
271.10599	2.6
272.06488	31.4
272.09027	3.1
272.56509	2.9
275.05115	40.5
281.07016	2.9
292.57910	2.4
305.08548	4.2
317.11188	3.7
335.06573	2.8
335.12238	3.2
353.04327	4.9
353.08456	100.0
353.22717	5.3
354.08292	3.6
354.12103	5.5
367.69751	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	353.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.8
55.01833	0.8
55.02084	0.3
55.05481	0.7
56.96532	0.6
57.03430	2.1
59.04980	0.5
60.04470	0.3
61.02925	2.7
62.00834	0.3
67.05461	0.8
69.03430	10.6
69.07079	2.4
70.06536	1.4
71.01331	0.5
71.04939	1.2
71.48843	0.6
72.08099	1.1
73.02919	3.1
78.97559	0.3
79.05437	0.9
81.03420	3.0
81.07008	1.4
82.06544	0.4
83.04919	1.3
83.08559	0.3
84.04462	0.5
84.08086	1.1
85.02905	14.1
85.06512	0.4
86.09687	1.6
87.04470	2.9
91.03896	1.0
91.05421	1.1
92.59357	0.3
93.07014	0.8
95.04919	0.9
95.08580	1.0
97.02899	5.8
97.06480	0.8
99.04472	1.8
101.02338	0.5
103.03930	0.3
103.05441	0.6
104.04916	0.5
105.06989	1.2
107.04901	1.3
107.08594	1.9
109.02866	2.0
109.06490	0.6
110.09651	0.3
111.04391	0.7
111.08054	0.7
116.98592	0.4
118.06530	0.5
119.08506	0.9
120.04426	1.2
120.08073	0.5
121.06483	0.6
121.10110	1.1
123.08018	1.1
127.03930	3.3
129.04486	9.5
129.05412	0.7
129.10194	0.3
130.02890	2.6
131.04919	0.4
131.08522	1.4
132.04402	0.5
133.02885	0.4
133.10101	1.6
133.69168	0.3
135.08058	2.2
135.11636	0.8
136.07515	0.8
137.09581	0.5
139.03818	0.5
145.04927	1.1
146.06020	1.8
147.05533	14.5
147.11717	0.4
149.09642	2.1
151.03848	0.4
158.10899	0.9
163.14774	0.4
164.06999	0.5
167.06995	0.5
173.07108	43.3
173.13283	2.7
174.05527	0.9
174.07559	0.5
175.08670	0.5
175.14763	0.5
177.05460	1.1
178.05844	0.8
179.03383	1.0
181.05028	0.4
182.08130	0.4
191.08153	100.0
191.14288	15.3
192.06667	0.4
192.08449	1.6
193.04985	1.0
195.03323	0.4
213.04257	0.5
233.09462	0.7
235.07277	0.3
236.72394	0.3
250.09746	0.4
287.04361	0.7
293.08130	0.6
307.13110	0.4
311.04404	0.8
321.07773	0.8
321.11142	0.5
335.12378	1.9
353.13559	17.9
353.20065	1.5
354.25845	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	353.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97577	3.8
55.05500	10.0
57.03419	4.7
67.05493	15.7
69.03413	22.6
69.07051	10.5
71.01319	4.2
71.04974	6.6
71.49457	5.2
73.02914	7.2
75.01155	4.8
79.05486	18.4
81.07038	21.2
81.68976	3.9
83.04968	17.5
85.02891	14.2
85.06560	5.7
91.05480	14.6
93.07047	23.7
95.04944	17.1
95.08593	16.6
97.02881	5.2
97.06548	4.5
105.07037	28.7
107.04932	9.0
107.08596	47.7
109.02855	4.5
109.06525	13.3
109.10161	22.9
117.07026	4.6
119.08569	17.9
121.06500	6.3
121.10125	26.3
122.07265	6.1
123.08046	4.8
123.11702	5.6
126.52502	3.6
131.08554	11.4
133.10121	100.0
135.08028	7.8
135.11636	4.7
137.05949	6.6
137.09612	40.1
143.08467	4.3
145.10149	15.0
147.08072	5.0
147.11693	13.4
149.06053	4.9
149.09610	78.3
149.13257	27.0
151.11192	13.6
157.10150	6.5
159.11743	9.1
163.14775	7.7
167.64609	4.4
173.13254	12.6
175.11136	7.4
177.16422	4.4
185.13275	4.1
187.11189	7.9
189.16522	6.0
191.14313	40.0
199.35902	3.8
201.12737	8.3
203.14317	6.6
213.12862	4.1
221.05914	3.9
231.13821	6.6
233.15247	6.0
235.07663	4.9
239.07042	4.4
317.17380	5.1
321.10913	7.3
335.22122	6.5
353.09882	5.5
353.13818	5.3
353.19464	24.9
354.13391	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	353.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01861	1.5
55.05508	1.3
57.03424	2.4
59.04996	0.7
61.02924	3.4
67.05504	1.1
69.03429	16.7
69.07072	6.0
70.06577	1.1
71.01617	1.4
71.04977	2.6
73.02912	3.3
73.41882	0.7
79.05482	2.2
81.03426	4.4
81.07048	2.0
81.87143	0.6
83.04972	2.1
83.08611	1.5
84.08118	1.3
85.02381	1.0
85.02903	19.2
86.09711	1.5
87.04469	3.5
91.03958	1.2
91.05464	3.1
93.07016	1.9
95.00513	0.6
95.04943	1.0
95.08591	2.5
97.02901	6.5
97.06525	1.2
99.04449	2.9
105.07014	2.6
107.04951	2.2
107.08600	5.0
109.02859	1.8
109.06550	1.5
111.04413	1.0
111.08070	2.1
114.64083	0.7
118.06595	0.8
119.08574	2.6
120.04514	0.7
121.06477	1.8
121.10112	3.1
123.04443	1.1
123.08024	1.8
127.03901	4.6
129.04489	11.2
129.05452	1.2
130.02879	2.4
131.08549	3.7
132.04449	0.8
133.06523	0.9
133.10095	3.4
135.08044	6.6
135.11676	1.6
136.07579	1.1
143.08530	1.5
145.04977	1.7
145.10114	1.8
146.06007	4.2
147.04616	0.6
147.05528	16.7
147.06717	0.9
147.11661	1.8
149.09618	3.9
149.13235	0.7
158.10915	1.5
163.14789	2.2
173.07106	45.5
173.13255	8.7
174.05554	1.1
174.07481	1.3
177.05431	0.8
178.02573	0.6
178.05891	0.8
179.03291	1.2
179.07051	0.7
191.08151	100.0
191.14294	52.3
192.08485	2.8
193.04919	1.2
208.66431	0.7
213.13147	0.6
217.46043	0.8
217.97205	0.6
307.02600	0.7
307.51132	0.6
311.04507	1.4
335.12317	1.8
353.13474	17.1
353.19684	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	353.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84131	0.3
55.01861	0.5
55.05496	1.2
56.96568	0.4
57.07076	0.3
58.99839	0.4
60.02331	0.3
60.44432	0.3
67.05490	1.4
69.07076	1.6
69.39346	2.6
72.94712	0.3
77.00904	1.2
79.05481	1.4
81.03391	0.5
81.07037	1.3
83.08614	0.7
87.29390	0.3
93.07043	1.0
95.01952	0.5
95.04934	0.5
95.08616	0.4
97.06525	3.2
97.10192	0.3
105.07034	0.9
106.04260	0.4
107.08583	0.9
109.10143	0.4
119.08592	0.5
119.32023	0.3
121.02767	0.3
121.06582	0.4
121.10104	0.5
123.11729	0.4
133.10104	0.5
142.07765	0.4
143.08601	0.4
145.10107	0.9
147.11732	0.5
155.08582	0.6
165.06950	0.7
171.04453	0.5
183.08131	0.6
186.06641	0.4
197.05882	0.3
199.03891	0.4
200.04724	1.0
201.05568	0.7
201.09315	0.4
208.91402	0.4
211.07550	1.1
213.09714	0.4
213.58878	0.3
215.11320	1.4
225.09183	0.4
227.07124	0.5
228.07869	0.6
229.08557	0.5
231.10751	1.4
233.12311	0.8
239.07062	0.5
241.12926	0.4
243.14325	2.0
253.12782	1.7
256.07193	0.7
257.08112	2.7
261.15579	0.5
271.13806	2.1
279.77975	0.4
294.24176	0.5
294.34482	0.4
317.19586	0.5
325.14438	1.5
335.13071	0.4
335.20673	3.0
353.14124	3.9
353.22964	100.0
354.14261	0.9
354.23196	4.6
354.26773	0.4
371.22678	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.05504	23.7
57.03439	9.9
57.07079	9.7
60.04536	5.2
60.95844	15.7
65.03929	4.2
67.05148	4.6
67.05505	88.3
69.03410	5.1
69.07066	33.2
70.06584	4.7
70.85195	8.9
70.85532	5.7
71.05011	22.7
79.05498	53.8
80.05025	7.5
80.05815	4.9
81.03417	5.6
81.07056	93.7
83.04972	9.9
83.08613	12.4
85.06528	11.6
91.05470	48.1
93.07052	68.6
94.06567	6.1
94.07393	4.5
95.04971	50.1
95.08609	76.3
96.08915	4.0
97.06524	14.5
97.10157	5.7
99.08086	9.7
105.07035	54.2
107.08588	61.0
109.02813	4.1
109.06535	15.0
109.10146	32.4
111.08075	5.6
116.06213	5.9
117.07025	20.4
119.08592	49.9
121.06531	5.0
121.10138	49.7
123.08072	11.6
123.11694	23.4
125.09645	7.3
128.06230	12.4
129.07025	8.2
131.08551	47.1
133.10149	45.6
135.08073	25.3
135.11693	39.4
137.09598	10.7
137.13387	3.8
139.11157	4.2
142.07770	12.1
143.08609	21.4
145.10129	39.1
147.08040	11.5
147.11670	17.5
147.94411	3.9
149.09630	18.5
149.13248	10.2
151.11209	4.1
155.08540	13.6
157.10159	46.7
158.10809	7.9
159.08061	11.3
159.11674	29.4
160.75426	3.8
161.09592	34.2
161.13240	16.7
163.11151	10.0
163.14775	10.7
167.08632	7.0
169.10172	15.1
171.11700	22.7
173.09644	7.0
173.13242	31.1
175.14867	11.0
177.16367	7.5
181.10072	4.9
183.11682	13.8
185.13274	15.6
187.11272	5.1
187.14847	12.4
189.12776	7.4
191.10889	4.0
191.14261	7.3
191.57072	4.4
195.11688	10.0
197.13304	28.1
201.12733	6.9
207.11719	8.1
209.13271	10.7
211.14836	9.1
213.12724	15.8
215.14314	33.5
217.15784	5.5
221.13232	5.8
223.15086	16.8
225.16341	5.0
227.14481	5.1
237.16364	8.3
239.14583	4.4
243.21098	18.4
251.17970	8.0
261.22180	53.7
265.19501	7.0
274.21655	6.2
276.20377	15.5
277.19412	7.4
279.22949	6.4
291.21365	5.3
293.22937	31.9
294.24094	7.1
295.20514	20.0
311.23813	6.5
325.14075	4.7
335.15015	13.3
335.23663	30.2
344.36557	4.1
353.15729	29.7
353.25095	100.0
354.25571	7.2
371.17303	23.0
376.10196	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.20994	2.8
51.30896	2.6
53.03949	3.8
55.01875	7.1
55.05510	43.4
56.96559	5.4
57.03440	20.9
57.07075	10.0
67.05506	97.1
69.03423	4.7
69.07070	46.5
70.47459	4.8
70.47819	7.6
71.04998	7.0
71.08630	71.7
74.04041	2.7
79.05495	54.9
81.03429	3.1
81.07056	100.0
83.04989	9.4
83.08619	25.5
85.06545	6.0
91.05479	30.8
93.07043	51.9
95.04974	6.6
95.08006	4.9
95.08608	87.8
97.06539	9.9
97.10172	22.7
99.08098	51.9
105.07043	28.6
107.04959	3.0
107.08597	46.4
109.06529	3.6
109.10155	40.6
111.08129	3.9
117.07021	11.4
119.08590	24.4
121.10146	32.0
123.08063	4.3
123.11703	17.4
125.09610	10.9
131.08562	22.2
133.10115	10.4
135.08047	4.3
135.11703	30.5
137.13258	10.5
139.11208	3.1
143.56180	3.6
145.10104	19.0
147.11694	38.4
149.09598	3.0
149.13235	16.0
151.14842	5.7
153.12767	8.9
159.11708	5.2
161.13272	9.1
163.11122	4.6
163.14793	20.5
165.12773	9.5
167.14357	3.7
171.11673	3.3
173.11871	5.3
173.13284	12.7
175.14859	3.0
181.15872	5.6
187.14893	4.3
189.09651	3.4
189.11258	5.9
191.14392	4.0
210.95877	3.0
233.22658	6.3
243.21111	19.4
251.23683	4.4
261.22147	40.4
279.23196	35.8
328.83621	3.2
335.26349	4.1
353.26859	74.9
354.33002	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03943	3.4
55.05513	16.0
56.23425	2.5
57.03432	5.1
57.07074	4.7
63.93970	2.4
67.05503	100.0
69.07051	12.4
70.64529	2.7
71.02124	5.2
79.05486	39.6
81.07054	94.1
83.08612	8.5
91.05479	25.8
93.07043	55.3
95.04996	3.3
95.08605	69.0
97.06534	3.3
97.10150	3.2
104.71641	2.5
105.07058	20.4
105.07673	3.7
107.08593	37.6
109.10157	42.6
117.07013	8.5
119.08595	14.2
121.10133	28.8
123.11677	18.6
123.20501	2.9
131.08537	21.3
133.10139	15.7
135.11682	29.7
135.12633	4.1
137.13243	8.5
145.09126	3.3
145.10092	14.8
147.11687	10.8
149.13220	17.3
159.11716	16.0
161.13280	9.6
163.14830	12.5
173.13257	18.1
175.14880	3.6
177.16412	2.8
182.81572	2.9
187.14828	10.2
201.16457	2.9
204.93408	2.7
233.22630	4.2
243.21140	19.5
258.26324	3.1
261.22119	95.5
272.05179	2.7
279.23080	6.3
335.25888	13.4
353.26935	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.05508	12.4
57.03426	4.0
57.07059	4.1
67.05505	67.5
69.07062	11.0
70.56413	1.8
70.56721	4.5
71.04955	3.1
79.05040	2.0
79.05493	33.0
81.07056	84.3
83.08594	4.3
85.06543	2.3
91.05497	18.2
93.06504	3.4
93.07046	47.9
95.04984	4.0
95.08610	61.5
97.06563	2.6
97.10169	3.6
105.07040	16.8
107.08589	34.2
109.06621	2.2
109.10149	36.3
117.07019	6.3
119.08574	13.3
121.10143	35.0
123.11710	19.7
131.08571	14.9
133.10115	15.8
135.11697	25.5
137.13261	6.8
145.10124	15.7
147.11661	9.8
149.13297	17.4
159.11688	12.1
161.13281	7.4
163.14856	14.2
173.13277	14.9
175.14854	3.7
177.16325	3.2
187.14856	10.2
201.16443	2.2
233.22629	6.0
243.21086	24.4
261.22147	100.0
279.23117	3.2
302.39249	1.9
335.25693	5.2
353.26901	26.3
369.33676	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01868	1.4
55.05278	1.3
55.05516	17.0
56.43799	1.0
57.03421	3.7
57.07071	6.0
60.10717	1.0
65.03930	4.2
65.34770	1.0
67.05507	86.7
69.07072	15.6
69.70493	7.0
71.04985	2.5
71.08623	4.5
75.04477	1.2
77.03918	1.5
79.03151	1.1
79.05019	2.0
79.05492	59.8
81.07056	100.0
83.04988	3.2
83.08614	8.4
85.06538	5.6
85.10161	2.1
87.91291	0.9
91.05486	28.3
93.07044	74.5
94.07386	2.3
95.04987	6.8
95.08608	78.3
97.06532	4.9
97.10175	4.8
99.08097	5.4
105.06331	1.7
105.07027	21.6
107.08592	42.6
109.06530	2.5
109.10160	32.9
111.08072	3.3
113.09637	3.1
117.07017	8.6
119.08580	13.7
121.10149	33.9
123.08024	2.1
123.11707	14.8
125.09609	1.6
131.08566	27.7
133.10124	12.6
135.08078	1.9
135.11691	33.2
137.09612	2.1
137.13249	8.9
145.10114	20.3
147.11674	12.9
149.09662	1.6
149.13260	23.9
151.11259	1.5
151.14853	5.8
153.12762	2.7
157.10065	1.4
159.11688	13.0
161.13252	12.3
163.11177	2.1
163.14816	17.7
165.16431	1.2
173.13277	16.4
175.14857	4.4
177.12820	1.5
177.16394	7.8
179.14272	1.1
187.14818	11.5
191.14296	1.4
201.16411	2.5
205.15851	1.9
215.18033	1.9
219.17531	1.4
223.20512	1.3
228.42609	1.2
231.38722	1.0
233.18906	1.4
233.22578	7.8
243.21074	33.6
243.23428	2.2
250.08511	1.1
261.22137	89.2
262.22366	1.4
279.19659	1.4
279.23230	3.4
289.51758	1.2
315.70615	1.1
335.25897	9.5
353.21149	1.1
353.26514	9.0
354.26550	1.2
354.87244	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03948	1.8
55.01868	1.5
55.05243	0.9
55.05509	13.2
57.03437	7.2
57.07082	5.1
62.83858	0.7
65.03944	3.2
67.05505	97.9
67.88745	0.7
68.05832	0.9
69.07069	15.7
69.07435	1.4
71.04993	2.7
71.08632	1.6
71.41408	1.1
72.82859	0.7
75.04475	1.1
77.03907	0.7
79.05493	43.1
80.59725	0.8
81.07055	100.0
82.07394	1.0
83.04986	1.5
83.08624	8.3
84.14150	0.7
85.06551	3.0
91.05482	19.7
93.07043	55.5
95.04968	4.3
95.08607	80.3
96.08934	1.2
97.06538	4.4
97.10157	3.4
99.08088	2.4
100.68890	0.6
100.75208	0.6
102.42893	0.6
105.04538	0.9
105.07032	16.1
105.07705	1.1
107.08591	34.6
109.06523	2.0
109.10157	39.4
110.10518	1.7
111.08102	2.1
111.11686	1.9
113.09668	1.4
115.05537	0.7
116.98564	0.7
117.07007	8.3
119.08578	15.3
121.10141	32.2
123.08073	2.0
123.11700	22.3
125.09594	1.1
129.07030	1.0
131.08566	18.2
133.10126	12.6
135.11688	25.6
137.09598	1.6
137.13254	9.6
139.11189	1.3
143.08598	0.7
145.10118	16.6
145.11180	1.2
147.11699	8.7
149.01253	1.0
149.09644	1.2
149.13249	19.6
149.14397	1.1
151.14870	2.9
153.12712	0.8
159.11697	12.6
160.99597	0.6
161.13266	7.9
163.11133	1.1
163.14816	12.1
165.12755	1.1
171.11684	0.9
173.13269	15.3
175.14839	2.9
177.12738	1.3
177.16415	4.0
179.14319	1.6
185.13258	0.7
187.14827	9.7
189.16446	1.1
191.14415	0.9
201.16438	2.8
205.15962	1.4
215.17946	1.4
219.17494	0.9
233.22556	3.1
243.21083	20.2
259.06012	0.8
261.22125	86.1
262.22534	2.1
272.14511	0.9
279.23148	6.4
317.24969	0.8
335.25821	9.8
353.17709	1.4
353.26883	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01876	1.2
55.05510	13.7
57.03437	4.2
57.07071	5.5
62.73545	0.9
65.03933	3.6
67.05504	92.6
69.07073	13.4
69.28348	9.2
71.04990	2.9
71.08621	2.4
75.04478	1.5
79.05022	1.8
79.05492	47.9
81.07054	92.8
83.04993	2.2
83.08630	6.9
85.06532	2.3
85.10184	1.2
89.89370	0.8
91.05480	22.7
93.07041	61.3
95.04984	3.7
95.08607	75.1
97.06525	4.2
97.10158	3.4
99.08099	2.2
105.07030	19.5
107.08591	41.0
109.06492	1.7
109.10154	38.4
111.08079	3.0
111.11732	1.2
113.09621	1.5
117.07021	12.4
119.08581	16.9
121.10141	34.5
123.11712	19.8
125.09615	1.2
131.08563	25.9
133.10120	12.8
135.11690	30.8
137.09657	1.6
137.13228	8.7
139.11130	1.2
145.10132	17.0
147.11679	10.2
149.13252	22.1
151.11105	2.0
151.14888	2.2
153.12723	1.2
159.11699	15.9
161.13240	9.9
163.11188	1.0
163.14819	12.8
165.12773	1.7
173.13248	16.6
175.14798	2.6
177.12854	1.0
177.16409	3.5
179.14297	1.4
187.14806	10.8
189.16237	1.2
191.14302	1.7
201.16385	2.7
205.70036	1.0
215.17993	1.7
219.17381	1.7
233.22704	3.8
243.21080	23.7
261.22128	100.0
262.22394	2.0
279.20096	0.8
279.23041	4.4
317.24734	1.2
331.58969	0.9
335.25732	7.4
353.22369	1.5
353.26834	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.59137	3.5
55.05505	18.4
57.03439	5.7
57.07064	6.7
58.15767	2.7
64.54039	3.5
65.03930	3.3
67.05504	89.9
69.07047	14.6
69.58353	19.0
71.05006	3.3
79.05491	45.3
79.39453	2.9
81.07057	100.0
83.08623	8.2
85.06533	3.1
91.05484	16.3
93.07039	50.4
95.08604	59.9
96.33300	3.5
97.10181	4.1
98.21526	3.8
105.07022	14.1
107.08593	34.9
109.10145	30.6
117.07012	10.4
119.08575	10.2
121.10133	28.6
123.11701	22.2
131.08546	17.8
133.10123	10.0
134.34819	3.2
135.11722	21.6
137.13278	7.6
145.10141	10.8
147.11667	11.4
149.13283	18.0
159.11696	11.9
161.13268	11.0
163.14804	10.8
173.13254	13.3
187.14838	9.6
243.21042	16.8
261.22137	80.6
279.23254	4.6
328.26584	3.5
335.25867	13.6
353.26813	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05515	15.6
57.03413	4.6
57.07065	4.4
65.03900	2.4
67.05506	89.4
69.07067	12.9
70.63042	4.1
71.04977	3.7
71.08612	2.2
71.27439	1.7
79.05492	48.6
81.07056	99.3
83.08615	8.2
85.06527	3.6
89.46013	1.5
91.04990	2.4
91.05480	22.8
93.07044	65.7
95.04955	3.6
95.08609	72.1
97.06519	2.2
97.10152	2.6
104.30301	1.5
105.07030	20.2
107.08593	44.6
109.10162	37.9
117.07023	11.1
119.08572	14.7
121.10143	37.4
122.17706	1.5
123.11699	22.0
131.08562	22.2
133.10120	14.0
135.11682	36.1
137.13229	7.2
141.69421	1.5
145.10110	18.0
147.11703	12.8
149.13243	25.1
151.11186	2.4
153.12749	2.6
159.11731	12.9
161.13324	9.6
163.14825	15.8
173.13287	20.4
175.14798	3.4
177.16371	5.3
187.14822	10.6
201.16359	3.7
205.15790	2.2
215.17917	1.9
233.22676	4.8
243.21123	22.4
261.22134	100.0
262.22449	3.0
279.23056	2.5
293.85516	1.5
335.25742	6.8
353.26831	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	2.6
55.05511	21.3
57.03428	5.1
57.07061	6.4
65.03939	3.8
67.05503	96.7
69.07069	15.3
69.53043	15.4
71.04961	2.8
71.08628	3.6
72.25296	2.0
79.05499	51.4
81.07055	100.0
83.08601	8.1
85.06549	5.0
85.10188	2.1
91.05487	23.4
92.26810	1.9
93.06443	1.9
93.07046	68.8
95.04958	6.3
95.08606	81.7
97.06513	5.2
97.10164	7.3
99.08093	4.4
105.07034	22.1
107.07912	2.5
107.08595	42.0
109.06521	3.6
109.10152	32.5
113.09644	2.3
117.07021	12.4
119.08559	13.0
121.09350	3.4
121.10147	43.4
121.91255	1.9
123.11712	17.7
131.08571	23.5
133.10120	8.0
135.11693	28.3
137.13245	9.2
139.11220	2.3
145.10110	19.0
147.11687	11.6
149.13258	24.7
151.11159	1.9
151.14745	4.6
159.11699	14.9
161.13242	12.7
163.11133	2.4
163.14822	18.3
165.94591	1.9
173.13239	16.2
175.14806	6.1
177.16328	6.0
186.65462	1.9
187.14825	11.2
191.14311	2.9
233.22578	7.9
243.21078	36.6
261.22128	93.8
262.22607	2.7
268.70499	2.1
279.23224	4.7
305.89139	2.3
335.26028	11.4
353.16974	11.6
353.25946	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.92476	1.4
53.03944	3.3
55.05515	16.0
56.96569	3.7
57.03453	7.1
57.07067	8.6
65.03943	2.8
67.05507	92.7
67.12201	1.6
69.07073	15.3
70.47753	5.5
71.08611	3.9
76.16622	1.3
77.03936	1.9
79.05496	61.1
81.03413	2.8
81.07056	100.0
83.04994	2.4
83.08609	7.8
84.87983	1.4
85.02893	2.0
85.06525	4.4
91.05473	29.8
93.07043	61.2
95.04967	7.0
95.08607	82.3
97.06523	5.7
97.10163	4.3
99.08076	6.7
104.99283	1.6
105.07028	23.2
107.08597	44.5
107.09325	3.1
109.06509	2.6
109.10152	29.9
111.08072	2.7
111.11687	1.9
113.09672	3.0
117.07010	12.1
119.08595	15.2
121.10146	36.5
123.08089	2.4
123.11708	13.4
125.09664	2.1
129.07024	1.7
131.08568	23.3
133.10130	12.8
135.08107	1.8
135.11679	25.9
136.12015	1.9
137.09630	2.4
137.13223	6.2
145.10138	20.6
147.11700	11.7
149.09595	2.4
149.13264	21.9
151.11153	1.6
151.14844	4.0
153.12750	3.1
159.11710	14.8
161.13242	8.9
163.11142	3.3
163.14835	20.3
165.16321	1.8
173.13249	16.6
175.14815	4.3
177.12733	4.3
177.16382	9.0
179.14345	2.0
187.14824	8.9
191.14366	2.6
201.16403	4.5
216.28851	1.5
219.20947	1.7
233.22559	8.1
236.72824	1.4
243.21094	33.6
261.22141	76.6
266.09695	2.0
267.86047	1.6
279.23282	4.8
293.22873	2.3
335.25757	13.1
353.13449	1.7
353.17456	1.7
353.22971	6.5
353.27145	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	354.1178
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03926	0.6
53.35826	0.6
55.05514	1.6
56.31659	0.5
56.96563	0.8
57.03433	0.9
60.04527	1.0
61.02922	0.9
67.05499	1.1
69.03423	3.3
69.69946	0.6
70.06583	2.9
71.48478	1.2
72.08144	0.9
73.02903	0.9
73.06592	0.6
76.73874	0.5
81.03425	1.8
84.08142	2.3
85.02905	8.5
86.09695	3.0
87.04453	1.1
88.31612	0.6
91.03967	0.9
91.05485	2.5
92.04993	0.7
93.05779	0.9
94.06557	3.7
95.04994	0.6
97.02909	2.1
98.97551	3.0
99.04407	0.8
105.03406	0.8
107.04974	0.7
108.08109	0.6
109.02879	1.1
112.11225	1.4
116.98626	2.4
118.06527	5.8
120.08133	1.0
122.06024	5.9
127.03913	2.0
128.98503	0.6
129.10231	1.8
130.06528	0.7
134.06018	1.1
136.07599	1.3
140.10713	0.7
143.03627	0.6
145.04956	0.9
146.06007	22.3
148.07468	0.7
150.05507	1.7
158.99699	1.2
160.07573	0.6
162.05518	1.4
164.07065	7.1
166.52928	0.5
170.46944	0.7
174.05502	100.0
175.05937	1.3
176.07109	1.1
177.00725	1.8
185.07010	1.1
189.04202	0.6
192.06544	55.3
193.06866	0.6
219.01704	0.6
221.07100	1.1
231.05405	0.9
237.02757	1.4
238.09686	3.9
264.07657	1.0
270.90216	0.7
293.67834	0.5
310.15472	5.6
336.10620	1.8
351.09534	1.0
354.11710	47.4
355.12149	0.7
369.10709	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	354.1337
Annotation	Imeluteine
Peak:m/z	Relative Intensity
51.02385	0.4
53.03962	0.7
53.36084	0.3
55.01862	1.3
55.05507	0.9
56.39376	0.3
56.96559	0.4
57.07072	0.7
61.54056	0.3
67.05510	0.9
69.03440	0.5
69.07082	0.8
71.49246	0.5
71.49632	0.3
72.04495	0.4
74.09703	0.4
77.03934	0.4
79.01318	0.3
79.05496	19.7
81.07056	1.3
83.08615	0.7
84.04507	1.9
85.06555	0.3
91.05492	1.1
93.07062	2.4
95.04981	1.9
95.08611	0.7
97.05377	0.3
97.06530	2.3
100.07629	0.6
100.11253	1.7
103.05470	43.3
105.04481	0.4
105.07034	2.8
107.04958	24.2
107.08645	0.4
108.08971	0.3
109.10178	0.4
118.06543	12.3
121.06496	1.5
130.06497	0.5
131.04933	14.5
132.08083	0.5
134.75891	0.3
135.04417	0.4
146.06010	5.6
148.07558	1.1
149.05983	1.2
154.12221	2.0
156.13820	3.9
159.06799	0.3
161.05998	0.3
165.12646	0.4
171.14915	0.7
174.05505	3.3
175.06305	0.4
176.07089	1.1
178.08604	0.3
184.13365	3.1
190.08653	0.4
206.08130	21.5
207.08319	0.4
209.09496	0.3
241.12241	0.5
266.11765	7.2
277.08444	0.4
281.18567	1.6
294.11182	2.1
310.23831	1.0
311.12668	0.4
322.10742	2.1
324.12341	0.5
327.12430	0.3
336.26184	0.4
354.13364	100.0
354.27512	2.7
355.13586	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	354.2637
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
55.01875	1.5
55.05503	16.1
56.05015	3.6
56.96552	3.2
57.07068	2.5
60.04527	9.5
60.82265	1.2
60.95849	1.5
67.05501	19.6
69.03424	3.1
69.07062	9.9
69.76863	7.0
70.06583	4.0
71.08621	6.1
79.05492	14.8
80.05003	5.2
81.03413	2.9
81.07048	19.1
82.06572	5.7
83.04980	3.8
83.08614	8.1
85.02864	2.5
85.06538	1.3
89.75134	1.2
91.05454	8.1
92.03658	1.4
93.07040	19.3
94.06567	5.3
95.04971	4.9
95.07369	1.6
95.08608	11.0
96.08163	2.9
97.06535	5.6
97.10170	7.3
98.06042	1.6
99.08091	5.2
100.11250	29.0
103.52787	1.3
105.07045	9.6
106.06549	3.3
107.08593	12.3
108.08137	3.5
109.06510	3.6
109.10124	8.2
117.07003	1.5
119.08595	6.1
121.10146	7.3
123.08061	2.2
123.11680	2.3
125.09654	3.8
126.12787	2.8
129.07045	1.5
131.08536	2.8
133.10139	6.0
135.08052	1.5
135.11687	4.2
137.09659	1.8
138.12775	4.2
140.14339	1.6
142.12297	5.6
143.08572	1.8
147.11674	3.2
149.13197	3.4
150.12776	4.4
152.14314	5.1
154.12233	3.5
157.10110	1.4
161.13309	2.5
163.14864	1.5
164.14432	2.3
166.15904	2.2
168.13878	1.5
171.11667	2.8
172.13306	2.1
177.12769	3.5
185.13272	1.7
189.12746	2.0
206.15422	2.3
210.15002	1.4
220.17012	1.9
241.19594	2.3
246.22276	2.4
248.23846	2.3
259.20612	9.9
274.21658	10.3
276.23193	28.2
277.21579	28.7
277.24371	1.8
292.22546	8.5
294.24274	100.0
295.22672	2.6
308.25699	6.3
318.24280	5.3
336.25336	15.2
354.26422	61.0
355.18622	8.2
373.28964	1.4
379.36282	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98580	0.8
55.01865	4.3
55.03449	0.8
55.05506	11.9
55.78539	0.8
56.05033	16.6
56.96553	2.1
57.03446	1.4
57.07070	2.1
60.04526	10.4
60.95834	0.9
67.05503	24.9
68.05012	1.4
69.03423	2.4
69.07066	15.0
70.06578	2.6
71.04997	1.8
71.08611	2.5
71.49768	1.2
73.06611	0.9
79.05151	0.9
79.05495	9.2
80.05012	1.6
81.03389	1.3
81.07053	17.0
82.06587	6.8
83.04977	4.8
83.08627	4.5
91.05469	7.9
93.07039	12.0
94.06573	6.8
95.04955	2.5
95.08605	11.8
96.08091	1.4
97.02885	1.7
97.06532	4.2
97.10183	5.1
99.08108	1.7
105.07028	5.5
107.08596	7.0
108.01810	0.9
108.08114	3.5
109.06519	1.5
109.10155	25.6
111.08065	1.8
111.11716	2.9
117.07028	2.5
119.08591	9.8
120.08868	0.8
121.10169	5.3
123.08067	1.0
123.11663	2.1
124.11166	0.9
125.09669	7.0
126.12762	1.0
131.04901	0.8
131.08513	1.1
133.10107	3.3
135.07962	1.0
135.11690	2.5
136.11220	5.3
137.09619	15.3
138.12776	1.7
140.14380	2.5
141.47240	0.8
145.10205	1.2
147.11691	2.2
149.13219	2.7
150.12753	1.8
151.11220	2.3
152.14326	2.8
154.12259	100.0
157.10144	1.1
161.13260	2.2
164.14380	1.9
165.12665	1.0
166.15858	4.4
167.10654	6.9
168.13820	1.2
171.11664	1.9
172.13319	52.4
173.11749	4.7
175.11142	1.2
177.12801	1.6
182.15443	4.3
187.07094	1.0
196.13321	40.2
206.15495	2.5
214.14343	10.8
220.16824	1.3
224.16472	3.3
229.07655	1.4
231.21165	1.1
247.08441	1.1
248.23683	1.2
249.22058	1.0
259.20636	1.8
274.21707	1.8
276.23157	8.2
277.21597	15.1
290.24796	4.0
292.22586	1.6
294.24261	28.3
295.22510	2.6
308.25824	30.4
312.25296	1.4
313.33524	0.9
318.24286	1.9
336.25253	9.4
354.26367	59.5
355.14569	1.6
355.18561	18.6
369.18921	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	355.1023
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
53.03945	1.2
55.01859	1.4
55.05495	1.5
56.96551	2.0
57.03427	1.4
61.02919	1.8
67.05495	2.1
69.03440	5.1
69.94798	4.0
70.06576	4.1
71.04996	1.0
72.08145	2.4
73.02881	1.6
73.04747	1.0
79.05494	2.5
79.76868	0.9
81.03422	2.6
83.04992	1.4
84.04489	1.2
84.08146	5.1
85.02912	9.7
86.03259	1.1
86.09701	2.3
87.78665	0.9
89.03931	5.9
89.04417	1.0
91.05869	4.6
93.06994	1.0
95.04944	1.2
97.02883	3.6
98.97578	4.1
99.04433	1.2
105.07047	1.2
107.04958	3.7
108.08061	0.9
109.02910	1.6
110.06039	3.0
111.04457	1.2
112.11294	1.0
116.93861	0.8
116.98608	3.0
117.03401	7.8
120.08086	1.8
121.06504	1.4
122.06060	2.0
127.03905	1.6
128.98631	1.6
129.10301	1.7
133.04782	0.9
134.99648	1.7
135.04424	21.0
136.07555	4.0
137.05942	1.4
138.09091	1.0
145.02846	13.2
145.04939	1.4
146.06018	4.1
147.04424	1.4
147.06358	4.1
150.05467	1.4
152.07072	1.5
158.99677	1.2
161.06015	1.1
162.05533	1.1
163.03908	100.0
164.04263	1.9
164.07056	2.9
166.08612	1.5
167.07097	2.4
177.00743	2.7
177.05472	4.1
179.06883	1.0
181.04939	1.0
182.08168	1.8
189.07185	0.9
193.04819	1.3
195.72128	0.9
201.05420	2.7
219.01717	1.2
219.14969	1.9
231.05443	1.0
237.02797	2.0
239.05099	1.0
268.98022	1.4
285.00998	2.2
351.10077	1.1
355.07419	1.6
355.13928	5.0
356.11026	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	355.1024
Annotation	Chlorogenate
Peak:m/z	Relative Intensity
51.62674	0.8
55.01863	0.9
55.05505	1.1
56.96557	1.9
57.03431	1.1
59.02088	0.7
61.02908	1.5
63.69124	0.7
65.71523	0.7
69.03426	3.0
69.62071	0.8
70.06592	3.1
70.75153	2.9
71.04994	0.9
72.08158	1.6
73.02906	1.2
79.05492	2.1
81.03412	0.9
81.11980	1.0
83.04972	1.2
84.08137	3.9
84.96057	1.0
85.02914	8.5
86.09707	1.2
89.03915	6.8
95.04972	1.1
96.33882	0.7
97.02884	3.1
98.97572	5.5
99.04398	0.9
107.04950	3.3
109.02914	1.0
109.06528	1.3
116.98626	2.8
117.03376	9.5
119.01791	0.9
120.04362	0.8
120.08125	1.3
127.03924	1.7
129.10248	1.7
134.99614	1.4
135.04414	17.7
136.07564	2.8
137.06006	1.4
145.02837	11.4
145.04897	1.4
146.05991	1.1
147.04420	1.1
147.06331	1.8
158.99644	2.9
163.03905	100.0
164.04333	1.3
164.07091	1.6
174.05525	5.2
175.05893	7.0
176.10713	1.8
177.00737	3.0
177.05493	2.0
178.35762	0.8
179.07057	2.3
181.04866	1.3
182.08138	1.4
189.04453	1.2
192.06560	2.6
193.05138	1.8
193.06926	4.0
201.05573	1.7
219.14899	5.1
237.15849	1.0
249.06503	1.0
253.03838	1.0
271.04694	1.0
277.08521	1.0
289.06024	2.2
311.15820	1.1
337.78845	0.9
351.09366	1.0
355.11597	5.5
356.10699	0.9
378.66144	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	355.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
56.96558	0.7
67.05501	2.0
69.03419	1.2
69.17867	0.6
71.04327	0.6
71.12202	0.8
71.12522	0.7
79.05483	0.7
81.03394	0.7
82.06573	6.8
85.02906	1.6
91.05824	1.8
93.07051	1.1
95.04958	0.9
98.06045	1.8
98.09561	0.6
98.24030	0.6
98.97620	1.3
108.08067	0.8
110.06039	19.2
117.59602	0.6
122.06030	0.8
126.05515	8.1
128.07077	1.4
134.99617	0.7
135.04385	1.0
136.07576	57.3
137.07930	0.8
138.05489	3.1
140.07042	1.8
152.07071	2.5
156.06563	0.8
163.03883	2.3
164.07062	100.0
165.07430	2.1
166.04936	0.6
182.08127	76.8
183.08453	1.4
198.09261	0.6
206.05844	0.8
214.08473	0.9
219.01659	1.4
228.10240	0.7
230.08138	1.0
237.02811	2.4
256.04996	1.1
256.09738	1.3
259.10791	1.5
260.04126	0.6
268.97678	0.7
283.11011	0.6
301.11661	0.8
302.07132	0.6
302.10196	2.5
319.12906	5.5
320.11215	1.9
337.14032	1.0
338.12958	0.9
353.01001	0.6
355.06680	1.2
355.14450	1.3
356.13177	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	355.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.05500	1.1
56.96576	0.6
60.69428	0.5
65.03929	0.9
67.04210	0.5
67.05516	2.5
69.03413	0.9
70.06590	0.8
70.47358	1.3
73.04752	0.7
77.03903	0.5
78.82187	0.5
79.05492	0.7
81.03432	0.7
81.07044	1.0
82.06582	6.2
83.05025	0.6
85.02901	1.3
91.05857	4.1
93.07013	0.8
95.04995	0.5
97.02869	0.8
98.06037	1.6
98.97557	0.9
102.81744	0.5
108.08102	0.7
110.06039	18.6
116.98666	0.5
122.06017	1.2
126.05521	8.4
128.07079	1.9
134.99664	0.5
135.04422	1.0
136.07574	59.0
137.07909	0.7
138.05515	2.6
140.07031	1.9
150.05307	1.0
152.07115	2.5
156.06618	0.5
162.05385	0.6
163.03888	2.7
164.07062	100.0
165.07399	1.9
173.10020	0.5
182.08127	79.5
183.08392	1.6
192.03998	0.6
214.08740	0.6
228.10068	0.6
230.08020	0.8
237.02798	0.9
256.09631	1.3
259.10745	1.1
285.00897	1.6
301.11765	1.6
302.10132	1.6
319.12845	1.8
320.11395	1.7
337.13644	0.9
355.10251	3.2
355.14368	0.7
356.13324	0.7
370.11551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01850	3.3
55.05244	2.6
55.05510	45.9
56.96569	2.7
57.03439	13.6
57.07072	15.9
60.45649	1.9
65.17755	2.0
67.05503	86.3
69.06696	2.6
69.07067	52.2
70.75038	3.8
71.04983	2.4
71.08617	7.8
79.05488	30.0
81.07053	100.0
83.04975	3.6
83.08617	38.7
85.06546	4.9
85.10196	2.2
87.71458	2.1
91.05465	19.9
92.05844	1.8
93.07043	33.6
95.04969	3.8
95.07995	4.4
95.08603	88.4
96.08906	1.7
97.06524	14.4
97.09568	2.5
97.10168	27.2
99.08080	3.1
103.03924	2.5
105.07030	13.6
107.08588	26.7
107.68892	1.9
109.06520	2.6
109.10149	56.2
111.08076	6.7
111.11690	10.5
113.09653	3.1
116.50212	2.0
119.08584	18.0
121.10138	29.5
123.11714	24.4
125.09676	2.8
125.13271	3.7
129.05441	4.7
133.10130	18.7
135.11694	16.4
137.09619	2.1
137.13234	11.7
141.12807	2.8
146.99640	2.7
147.11676	13.9
149.13269	16.5
151.11179	2.2
151.14838	8.5
161.13275	17.2
163.14839	17.3
165.16391	8.6
167.14236	2.4
168.54219	2.2
175.14740	12.5
175.84076	1.7
176.65065	1.9
177.16359	2.9
179.17931	4.1
181.15871	2.7
183.06265	1.6
189.16399	6.4
203.17937	2.1
207.17339	2.3
245.22646	60.0
246.22919	3.9
263.23694	60.1
264.24130	2.8
281.24762	3.4
333.17365	6.7
337.27359	38.9
351.18448	2.7
355.18588	7.1
355.28537	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.9
56.96544	5.4
57.03435	6.4
57.07069	7.3
65.02649	5.7
67.05499	16.2
69.07061	11.7
70.26235	6.3
71.08610	5.6
71.49644	6.2
71.50059	6.8
79.05489	20.2
81.03412	4.6
81.07057	21.4
83.08611	7.5
85.09439	5.5
88.07631	6.8
91.05453	6.0
93.07021	6.8
94.61296	4.5
95.04931	7.0
95.08593	14.0
97.06533	100.0
104.60435	5.2
105.07027	9.6
105.29005	4.8
109.10187	8.4
114.24728	5.3
117.06827	5.7
119.08570	9.1
121.10165	6.1
123.05919	4.6
135.89983	4.5
157.10153	7.6
167.08614	5.5
171.24071	4.8
183.41646	5.3
201.12788	6.0
207.65932	5.6
232.65436	11.6
241.12231	10.2
259.13010	10.4
269.11697	6.2
311.16232	10.0
333.19135	5.5
337.17758	5.1
355.18741	19.5
355.26248	7.1
355.34027	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	355.2841
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
52.76564	2.2
55.05514	38.4
56.60073	2.2
57.03422	10.0
57.07076	21.6
65.03967	2.8
65.67577	2.5
66.69514	2.6
67.05504	78.8
69.07066	46.5
69.29962	14.9
69.30384	9.0
70.06602	2.5
71.04978	4.3
71.08613	7.2
71.08974	2.1
79.05491	27.0
81.07056	100.0
83.04955	5.8
83.08624	35.0
85.02879	2.3
85.06507	4.5
85.10175	3.7
86.09707	12.8
88.07613	4.5
91.05461	17.8
93.07038	31.7
95.04977	2.4
95.08604	87.0
97.06507	9.3
97.10175	23.8
99.08102	4.2
103.03859	2.9
105.07037	20.1
107.08584	26.5
107.42738	2.4
109.10153	48.7
111.08042	6.8
111.11723	9.5
113.09641	3.5
119.08582	15.5
121.10135	30.0
123.11696	22.9
125.13232	3.5
131.08540	2.5
133.10147	20.6
135.11671	14.0
137.09616	4.8
137.13235	9.5
147.11639	12.7
149.13239	15.1
151.14813	6.7
161.13287	17.0
163.14841	15.5
165.16368	8.3
170.78726	2.5
171.63614	2.8
175.14838	11.8
177.16359	3.3
179.17926	5.8
181.15860	2.7
189.16302	6.0
245.22653	48.3
263.23694	51.4
264.24146	2.7
311.50656	2.8
316.41330	2.5
324.32474	2.8
337.27353	28.7
355.28702	14.3
355.36838	8.2
356.35229	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	355.2841
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.39758	1.6
52.26440	1.3
53.03942	3.0
53.66675	1.3
55.01863	4.2
55.05512	43.1
57.03436	14.2
57.07077	15.6
65.03934	2.4
67.05505	81.0
69.06688	2.9
69.07070	53.9
69.52150	11.5
71.04988	4.2
71.08629	7.2
71.10794	1.7
79.05492	31.8
81.03395	2.7
81.07059	100.0
82.07408	2.4
83.04967	3.4
83.08167	2.7
83.08620	34.2
84.96069	1.5
85.06542	2.5
85.10162	4.1
91.05475	27.3
93.07041	34.6
95.04968	3.7
95.08607	85.3
96.08902	2.2
97.06538	11.6
97.10162	21.5
99.08092	5.5
103.03942	2.9
105.07027	19.5
107.08590	21.9
107.11478	1.5
109.06508	2.5
109.10157	43.1
110.10487	2.5
111.08083	6.4
111.11715	10.1
117.07005	3.8
119.08590	16.5
121.10151	29.7
123.08057	2.7
123.11698	21.6
125.09602	3.1
125.13298	2.2
127.11177	2.6
129.05482	4.6
129.06999	6.2
129.09117	1.4
131.08539	5.5
133.10118	16.8
135.11694	17.3
137.09630	2.7
137.13252	9.3
141.06978	2.1
143.08543	5.8
145.10124	1.9
147.11685	16.0
149.13268	15.1
151.11169	1.6
151.14806	6.5
152.06267	1.5
153.12715	2.3
155.14285	2.3
157.10100	5.9
159.11711	1.9
161.13249	15.9
163.14822	12.0
165.12750	2.3
165.16388	5.6
167.14386	2.8
169.10083	3.1
171.11621	3.1
175.14832	10.9
177.16304	2.3
179.14284	1.8
179.17931	5.5
181.15962	2.5
183.11748	2.1
185.13289	1.9
189.16383	7.5
193.12337	2.4
193.15894	2.5
199.14784	2.7
203.18027	2.7
205.52863	1.5
206.26620	1.7
213.16328	2.1
221.22533	1.7
245.20093	2.5
245.22646	53.1
246.22980	1.9
263.23685	47.0
263.26312	3.1
264.24075	3.4
265.25446	1.8
272.19315	1.5
327.26929	1.7
337.27420	28.1
355.28159	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42880	2.0
55.01876	3.8
55.05510	34.4
57.03431	7.6
57.07070	15.6
58.85117	1.8
67.05141	4.2
67.05502	83.0
69.07063	43.6
70.20751	7.3
71.04981	2.4
71.08635	9.3
79.05490	29.0
81.07051	100.0
83.04984	2.4
83.08611	33.0
85.06540	3.2
91.05463	17.2
93.07043	34.5
94.31786	1.6
95.04930	3.3
95.08601	89.5
96.93507	1.7
97.06531	12.3
97.10166	23.0
99.08089	2.0
103.03957	3.2
105.07038	15.6
107.08597	25.6
109.10149	45.8
111.08089	6.7
111.11707	8.3
119.08562	19.0
121.10138	29.8
121.10941	2.1
123.08081	2.7
123.11701	29.3
125.09637	4.3
127.11160	1.9
131.08604	1.7
133.10124	19.0
135.11688	18.8
137.13275	8.0
139.11220	3.0
139.14760	1.7
141.12675	3.2
145.29308	1.8
147.11705	11.6
148.35822	1.6
149.13234	19.2
151.11121	2.1
151.14804	8.1
161.13237	18.2
163.14798	17.6
165.12744	2.0
165.16409	7.1
175.14801	9.1
179.14352	2.1
179.17992	5.0
181.15941	2.3
189.16391	5.9
193.15947	3.2
203.17952	2.1
203.60086	1.8
245.22643	53.7
263.20895	3.0
263.23663	54.8
264.23984	1.8
318.19897	1.7
337.27390	25.1
355.28278	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	356.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.6
56.47776	2.4
56.96558	5.8
57.03415	3.6
67.05482	2.9
69.03428	6.9
69.62330	2.5
70.06586	9.0
71.49166	3.0
72.08176	3.5
73.02881	2.3
79.05484	5.4
81.03431	4.1
81.07025	2.7
84.08131	7.1
85.02905	12.2
86.09698	5.3
91.05827	3.7
93.07041	3.9
95.04964	3.1
95.08613	2.9
97.02915	4.8
97.06530	4.6
98.97623	3.9
105.06985	3.1
106.06573	20.9
107.04963	4.8
109.05145	2.9
110.07173	5.8
116.98624	3.1
120.08089	5.6
130.06525	39.4
132.04453	40.6
132.08055	10.4
135.04431	3.5
136.07520	3.5
137.05963	5.1
139.03900	4.6
146.05986	14.4
147.04352	4.9
148.07549	43.3
149.02361	3.8
151.03975	2.9
156.07648	3.0
158.06004	9.5
161.05984	2.6
163.03862	8.3
164.04201	6.2
164.07117	6.1
165.05403	2.5
176.07062	100.0
177.05502	4.6
177.07414	3.8
193.08438	2.7
194.08173	20.1
195.02914	16.1
195.06297	4.5
356.13550	32.8
356.17355	4.2
356.20929	4.4
357.14984	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	356.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
54.71141	0.7
57.03428	1.0
61.02913	1.4
65.03931	0.7
69.03432	5.9
70.84461	1.0
70.84802	1.1
73.02913	2.4
79.05491	3.5
81.03394	1.5
85.02905	5.7
87.04476	1.5
91.05467	6.8
94.06578	1.2
95.05002	0.7
96.28366	0.7
97.02879	3.4
97.41001	0.6
98.97583	1.3
103.05453	3.4
105.07030	6.5
109.02898	1.4
109.06526	0.8
113.07861	0.7
115.05454	1.4
117.05761	16.8
120.08123	4.2
122.05979	1.1
123.06824	1.5
123.08111	1.0
127.03912	1.2
130.06537	2.9
131.04880	0.9
131.07307	2.3
132.08092	21.0
133.05231	7.8
134.06017	1.1
137.08353	2.7
138.05478	1.3
138.09146	1.3
147.06776	4.9
148.07568	57.3
149.07893	1.1
150.05472	8.5
150.09161	2.3
152.06964	1.1
160.07590	9.2
164.07036	2.5
166.08646	15.6
176.07072	56.1
177.07497	1.4
194.08127	56.4
195.08452	1.2
338.12213	1.4
356.13379	100.0
357.13907	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	356.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
56.62288	0.3
56.96520	0.4
58.99846	0.9
67.05473	0.7
69.07049	0.6
69.48125	0.6
69.48530	1.8
77.00905	5.2
79.05458	0.6
81.07024	1.1
83.04928	0.3
84.08081	0.3
93.07032	0.4
95.01390	0.4
95.01934	3.4
95.08598	0.8
97.06513	0.5
98.21572	0.6
100.02463	0.3
103.02451	0.3
105.07000	1.0
107.08576	0.4
109.10175	0.4
117.06983	0.3
119.08537	0.7
129.57727	0.3
131.01860	0.7
133.10181	0.5
144.35788	0.3
145.10115	0.4
149.02924	0.7
151.18997	0.4
153.03958	0.6
157.03493	0.4
157.10001	0.3
159.04950	0.7
169.03282	0.3
169.07112	0.3
171.04944	0.8
173.06573	1.2
175.08107	0.4
182.04243	0.3
183.08672	0.5
185.06534	0.7
187.08163	1.6
188.05219	0.3
192.99278	0.3
194.04216	0.5
195.08694	0.5
199.08098	0.5
201.09660	2.6
203.07530	0.4
203.09196	0.5
205.09219	0.8
207.05040	2.5
207.08763	0.4
209.06479	0.4
209.10109	0.5
211.08102	0.4
212.05354	0.7
213.09625	1.1
215.11256	1.4
217.10826	0.5
217.14287	0.3
219.10718	1.6
221.06586	1.2
221.10242	0.7
223.11787	0.7
225.06056	0.9
225.09599	0.5
227.11298	1.4
229.12799	0.7
230.06682	0.4
231.12280	0.7
233.12279	0.3
237.11214	0.3
237.13327	1.3
239.07523	0.7
239.11247	0.7
241.12767	1.6
248.60394	0.3
249.13335	0.4
251.11342	0.8
253.12682	0.4
255.14383	3.1
259.15585	0.4
261.09720	0.3
263.11148	0.7
264.12073	1.2
265.12714	0.9
269.12354	0.7
269.16031	0.4
271.15781	0.4
272.66507	0.4
273.16959	1.2
277.12851	1.4
281.12204	0.7
281.15186	0.3
282.13043	1.4
283.13837	1.6
289.16605	2.1
291.14664	0.6
291.17984	4.8
295.13879	0.4
297.16833	0.6
303.18118	0.6
307.17673	0.5
309.15573	0.7
309.19089	7.0
313.16473	1.0
314.19635	0.9
315.17990	9.6
316.18484	0.6
327.20001	0.4
332.20795	0.8
333.19083	100.0
334.19333	5.0
347.20587	0.5
351.20129	8.7
352.20435	0.5
356.20673	14.0
356.27518	0.6
357.20892	1.1
378.26657	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	357.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.05489	0.3
56.96557	0.5
57.03433	0.6
61.02932	0.7
65.03939	0.6
66.31906	0.2
67.05511	0.3
68.99776	0.2
69.03433	2.1
69.07058	0.3
70.06590	0.8
70.57240	0.4
71.05000	0.4
72.69437	0.2
73.86903	0.2
76.22426	0.3
79.05486	0.4
81.03400	1.0
84.08134	1.5
85.02447	0.4
85.02912	4.5
86.09691	0.8
87.04477	0.6
87.23737	0.3
91.05798	0.3
93.03403	0.2
93.07026	0.3
97.02895	2.3
98.97606	0.3
99.04458	0.4
105.03368	0.4
107.04945	0.5
109.02895	0.8
111.04440	0.4
116.07073	0.6
121.02859	2.3
127.03931	1.0
129.10211	1.3
137.05980	0.5
139.03906	7.0
145.04904	0.3
146.99648	0.3
147.04362	0.3
149.02345	19.1
151.03897	0.7
163.03908	0.3
167.03412	3.0
167.07051	0.3
175.07867	0.3
179.07045	0.3
195.02890	100.0
196.03229	1.1
196.94728	0.3
207.07629	0.3
207.70447	0.3
237.02817	0.3
325.10199	0.3
357.07938	1.3
357.12244	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	357.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18408	0.7
55.01858	2.3
55.05514	4.1
57.03418	1.0
65.03929	7.5
67.05502	5.9
69.03397	0.9
69.07076	3.9
70.56173	1.6
70.56541	1.8
70.76240	0.8
71.04993	1.2
77.03921	1.1
79.05493	6.5
81.03387	1.3
81.07056	7.0
83.04979	1.4
83.08601	1.6
85.02926	1.0
85.06510	0.9
89.03910	1.7
91.05476	13.1
93.03408	2.6
93.07051	6.8
94.04191	1.0
95.04967	3.6
95.08622	5.7
97.06528	5.8
97.10146	1.7
102.04686	27.5
103.05470	9.5
105.03384	6.0
105.07038	10.3
107.04965	3.6
107.08575	3.7
109.02881	1.0
109.06503	3.1
109.10143	2.7
111.04392	0.8
115.05505	2.1
117.06998	3.3
118.04170	1.8
119.04951	11.5
119.08543	4.5
121.02855	4.5
121.06512	5.7
121.10119	2.2
123.04469	1.7
123.08059	1.7
123.11700	0.9
124.05198	2.0
124.23505	0.7
130.04146	33.7
131.04932	63.5
131.08594	2.0
133.02844	7.1
133.06540	5.0
133.07433	1.0
133.10109	2.6
134.03621	2.7
135.04411	7.2
135.08057	2.5
137.05975	18.8
137.09596	1.6
143.08519	0.9
145.06462	1.5
145.10062	2.0
146.03638	6.7
147.04404	45.4
147.08076	1.6
147.11632	1.0
148.05209	1.3
149.02335	19.6
149.05995	10.6
150.06760	13.6
151.03790	1.0
151.07535	4.2
152.06180	2.3
153.06920	1.0
155.08545	0.9
157.10115	0.8
159.04295	0.9
159.08070	2.0
159.11722	1.1
161.02345	1.6
161.05984	17.1
161.09596	1.3
162.06758	93.0
163.03943	1.9
163.07549	5.8
165.05489	4.6
165.07007	2.2
165.09090	1.5
167.07190	1.8
167.08566	5.1
167.10683	2.2
171.04427	1.2
171.08101	1.1
171.11716	0.9
173.06000	2.1
173.09605	0.9
175.07518	2.1
176.06219	1.9
177.01837	13.6
177.05531	1.4
177.07024	4.5
177.09076	1.4
178.02681	1.1
178.07735	1.9
179.03380	12.7
179.07011	3.1
179.08473	1.8
180.07809	4.1
181.06468	3.2
187.03923	1.9
187.07625	1.1
187.14905	1.2
189.01892	1.3
189.06937	1.7
189.09138	0.9
191.03403	1.9
191.07016	2.6
195.08051	12.9
203.03366	3.9
205.06500	8.2
206.07251	1.2
207.08075	5.1
209.05905	1.5
213.05434	2.4
217.15948	2.0
221.05858	0.9
222.06760	1.4
223.07542	12.0
233.04272	2.9
233.06393	4.6
233.15343	1.8
234.06799	2.7
235.07562	1.1
235.96956	0.8
237.05574	3.8
239.14218	1.6
250.06230	2.0
251.07077	10.5
257.15359	2.8
261.05438	3.3
261.14880	3.7
262.06201	1.2
263.07156	1.1
265.04984	4.8
269.12204	1.6
275.16464	5.5
278.05923	1.0
279.06537	11.2
285.14780	11.4
293.17386	2.7
295.06049	1.2
303.15903	14.8
307.06003	100.0
308.06403	1.7
311.09192	1.6
321.16968	4.4
327.08707	8.6
327.12228	1.8
339.08591	14.6
339.18045	1.7
357.09650	24.3
357.13367	1.4
357.16635	1.5
357.27896	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	357.1177
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03943	5.7
53.84134	1.8
55.70538	2.0
57.03434	3.8
67.05517	4.7
69.03431	18.2
69.22601	14.2
69.23018	5.1
70.06590	3.1
71.01365	2.7
71.04998	3.3
73.57391	2.0
79.05494	14.2
81.03415	8.3
81.07059	5.5
85.02906	12.9
91.05489	6.5
93.07054	7.3
95.04970	73.4
97.02887	23.1
98.20692	3.7
99.04420	2.4
103.05463	8.0
105.04567	1.7
107.04958	70.5
109.02877	33.1
109.06532	6.8
119.05003	2.4
121.06517	13.2
123.04431	19.2
125.02356	32.9
125.05962	3.7
127.03922	8.7
131.04962	3.2
133.02859	4.1
135.04417	29.2
145.04982	2.5
149.05974	24.0
151.03902	100.0
153.05486	13.1
164.07025	2.3
167.03436	2.0
167.07101	3.3
177.05481	33.8
179.51668	2.0
182.08072	3.2
195.06534	28.1
213.07649	2.1
263.39236	2.7
303.89850	2.0
321.09567	2.4
339.11166	3.2
357.15411	9.1
364.21228	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	357.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80602	0.7
52.91327	0.7
53.03938	2.8
55.01875	1.5
55.05515	0.8
57.03444	1.3
61.02924	1.1
62.73900	0.6
65.03936	1.1
67.05492	2.0
69.03425	6.9
69.58614	4.9
71.01358	1.9
71.05016	1.0
71.05441	0.6
73.02901	1.0
77.03937	0.7
79.05498	8.7
81.03429	6.6
81.07048	2.7
83.04966	0.9
85.02903	8.6
89.03886	0.8
91.05467	2.3
93.07038	3.2
94.04211	1.0
95.04967	20.9
95.08604	0.9
97.02902	6.3
97.06522	1.2
99.04472	2.7
103.05463	3.0
105.07043	1.8
105.65977	0.6
107.04958	19.5
109.02882	16.5
109.06535	4.2
111.04459	1.0
114.65723	0.6
115.05492	0.8
117.07011	0.8
119.04896	0.7
121.06493	5.6
122.03671	3.0
123.04417	4.5
125.02332	6.5
125.05991	1.8
127.03919	9.6
131.04947	1.9
133.02815	1.1
133.10094	0.7
135.04416	100.0
136.04726	2.1
137.05988	35.3
137.19005	0.7
141.01831	0.7
141.05513	0.7
141.38985	0.7
143.04942	2.3
144.04449	1.8
145.04970	1.4
149.05984	7.1
151.03914	38.2
151.05006	2.1
152.04216	1.0
153.05478	7.4
159.04436	1.4
161.06075	0.8
162.05542	0.7
165.05498	1.7
167.03596	0.6
167.07040	1.4
172.03940	6.1
175.07524	1.1
177.05473	19.6
187.06070	1.0
187.07599	0.9
187.47900	0.6
195.06543	13.2
203.07053	1.1
204.06564	10.1
205.08591	0.9
213.07675	0.9
215.06969	0.8
233.06578	1.0
321.11157	2.4
327.12311	4.0
339.10471	4.7
357.12900	6.0
357.19406	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	357.118
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.80602	0.7
52.91327	0.7
53.03938	2.8
55.01875	1.5
55.05515	0.8
57.03444	1.3
61.02924	1.1
62.73900	0.6
65.03936	1.1
67.05492	2.0
69.03425	6.9
69.58614	4.9
71.01358	1.9
71.05016	1.0
71.05441	0.6
73.02901	1.0
77.03937	0.7
79.05498	8.7
81.03429	6.6
81.07048	2.7
83.04966	0.9
85.02903	8.6
89.03886	0.8
91.05467	2.3
93.07038	3.2
94.04211	1.0
95.04967	20.9
95.08604	0.9
97.02902	6.3
97.06522	1.2
99.04472	2.7
103.05463	3.0
105.07043	1.8
105.65977	0.6
107.04958	19.5
109.02882	16.5
109.06535	4.2
111.04459	1.0
114.65723	0.6
115.05492	0.8
117.07011	0.8
119.04896	0.7
121.06493	5.6
122.03671	3.0
123.04417	4.5
125.02332	6.5
125.05991	1.8
127.03919	9.6
131.04947	1.9
133.02815	1.1
133.10094	0.7
135.04416	100.0
136.04726	2.1
137.05988	35.3
137.19005	0.7
141.01831	0.7
141.05513	0.7
141.38985	0.7
143.04942	2.3
144.04449	1.8
145.04970	1.4
149.05984	7.1
151.03914	38.2
151.05006	2.1
152.04216	1.0
153.05478	7.4
159.04436	1.4
161.06075	0.8
162.05542	0.7
165.05498	1.7
167.03596	0.6
167.07040	1.4
172.03940	6.1
175.07524	1.1
177.05473	19.6
187.06070	1.0
187.07599	0.9
187.47900	0.6
195.06543	13.2
203.07053	1.1
204.06564	10.1
205.08591	0.9
213.07675	0.9
215.06969	0.8
233.06578	1.0
321.11157	2.4
327.12311	4.0
339.10471	4.7
357.12900	6.0
357.19406	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	357.118
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03944	7.5
55.01868	6.9
56.96584	2.4
57.03438	3.6
61.02924	2.4
67.05519	10.7
69.03431	21.6
70.06593	6.5
71.01365	5.6
71.04984	5.7
72.94701	1.9
73.02914	2.5
77.03959	2.8
79.05080	4.1
79.05498	43.6
80.99715	2.4
81.03415	15.7
81.07056	8.0
83.04984	5.2
84.08139	7.2
85.02911	18.5
85.78466	2.1
86.09698	7.6
86.66412	2.3
87.04491	3.9
91.05476	12.0
93.07030	11.4
95.01341	5.6
95.04975	65.9
95.08623	3.4
97.02882	20.2
97.06528	2.5
98.20731	3.7
99.04503	4.6
103.03957	3.4
103.05476	8.1
105.03359	2.2
105.04491	2.5
105.07064	5.4
107.04957	100.0
109.02884	31.1
109.06516	13.6
110.07119	3.0
111.04499	3.7
111.08085	2.9
113.02370	5.4
121.06508	21.3
121.93145	2.1
123.04449	21.1
125.02348	21.5
125.05981	4.6
127.03902	11.3
127.82068	2.0
129.10146	2.5
131.04881	2.7
133.02878	3.7
135.04414	52.2
137.05981	4.2
139.03915	9.5
148.07553	2.6
149.05986	22.2
151.02782	4.6
151.03914	66.8
153.05476	47.2
159.02980	3.7
159.04404	4.8
165.05420	10.7
167.07034	45.0
172.16408	2.2
173.04495	13.8
177.05469	32.8
179.06987	2.3
193.05034	2.1
195.06499	31.1
195.08116	3.5
195.10085	4.0
209.08078	17.5
213.07590	3.8
215.03403	2.9
253.06961	2.7
279.08658	4.8
307.08112	3.8
325.09048	13.4
337.23703	2.0
339.10779	4.1
357.15414	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	357.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01866	5.2
55.05499	6.5
57.03432	15.9
58.94034	2.9
59.05000	2.9
61.02930	2.5
65.03948	4.7
67.05498	17.4
67.44661	2.3
69.03425	15.9
69.07068	5.2
70.06587	10.1
71.04991	8.6
71.48873	4.3
73.02909	6.1
75.04482	16.8
79.05490	64.2
80.05802	2.4
81.03429	13.2
81.07056	19.6
83.04975	21.6
84.04504	3.8
84.08138	8.2
85.02885	9.3
85.06562	4.1
86.09694	8.0
87.04448	21.8
91.05471	21.6
93.07050	19.5
95.01339	4.5
95.04964	42.3
95.08605	8.7
97.02881	7.1
97.06533	3.0
98.97588	2.9
99.04466	4.3
101.02379	2.5
103.03940	2.7
103.05444	11.0
105.07014	10.6
107.04951	83.1
107.08604	5.9
109.02870	10.2
109.06509	25.8
109.10160	3.8
111.04386	4.4
111.05610	5.4
111.08067	3.9
113.06001	24.8
117.06974	2.5
119.04969	5.2
119.08617	3.9
121.06501	26.0
121.10165	4.8
123.04424	8.0
124.07594	3.0
125.05981	4.3
126.68269	2.5
127.03938	14.7
127.04805	2.4
129.10268	5.2
131.04942	6.9
131.07019	19.6
131.08553	3.0
133.06520	4.7
133.10152	6.7
135.04413	53.9
136.07542	5.4
137.05965	21.8
139.03931	4.2
139.07513	4.9
141.05464	20.4
142.47705	2.7
146.03580	2.9
147.04413	9.7
149.05978	32.4
149.07921	2.5
151.03899	11.5
151.07584	4.7
153.05463	43.7
157.10092	3.1
159.04333	3.6
161.06010	5.6
163.07726	3.1
163.11140	4.3
165.05475	9.2
167.07039	100.0
167.08476	5.6
176.07082	2.5
177.05487	28.8
178.06236	5.8
179.07021	4.1
187.03712	2.9
187.07545	2.6
189.05394	3.1
191.07127	3.5
195.02888	2.8
195.06499	45.9
195.08257	3.0
195.10017	2.9
197.08163	7.0
201.05501	2.5
209.08089	88.3
211.09683	3.5
215.03362	4.9
219.10291	3.3
227.09238	3.9
305.11322	3.2
325.12845	9.7
339.15524	3.0
339.19232	3.9
357.11044	3.9
357.15237	57.8
357.19504	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	357.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47474	2.2
53.03944	7.0
55.01865	6.8
55.05497	5.9
57.03448	16.0
61.02916	5.6
67.05509	15.2
68.28159	2.2
69.03432	14.6
69.27361	21.9
70.06596	12.2
71.01372	2.4
71.04980	9.3
72.08128	3.9
73.02908	3.4
74.50967	2.5
75.04479	12.0
79.05496	55.3
81.03413	14.0
81.07066	22.7
83.04993	28.8
84.04510	3.1
84.08132	7.0
85.02912	4.9
85.06537	5.7
86.09710	7.5
87.04467	16.1
91.05472	20.6
93.07043	17.2
94.06583	3.6
95.01330	5.8
95.04973	39.6
95.08563	3.9
97.02879	4.8
97.06544	4.6
99.04438	4.0
103.05458	10.9
105.07023	8.4
107.04955	75.9
107.08611	6.4
109.02880	8.2
109.06534	22.2
111.04435	7.7
111.05549	3.1
111.08079	5.4
113.06007	21.8
117.06998	4.5
119.04933	3.8
119.08603	4.6
120.08064	3.6
121.06508	25.9
121.82578	2.2
123.04427	6.1
127.03924	15.4
131.04910	9.3
131.07024	19.6
133.06528	5.4
135.04404	47.1
135.11757	2.8
136.07520	2.9
137.05983	13.5
138.09067	2.3
139.07527	5.2
141.05481	20.9
146.03571	4.2
147.04414	6.5
147.94591	2.4
149.05988	31.5
151.03905	9.7
151.07509	3.9
153.05461	47.3
157.10115	2.7
161.05989	3.0
163.07587	4.2
164.06995	3.4
164.18892	2.7
165.05496	11.0
167.07051	100.0
167.08476	5.8
167.56079	2.6
177.05472	28.7
177.09192	2.5
178.06233	4.0
179.07123	4.3
182.08142	4.6
189.05441	6.0
195.06523	47.2
197.08073	3.2
209.08113	83.3
211.09583	3.0
215.03477	3.5
227.09093	3.5
307.11661	3.3
325.12787	6.4
357.15219	61.0
358.14572	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	357.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27488	0.4
56.87868	0.3
63.06590	0.4
70.64122	1.2
77.62380	0.5
79.73965	0.4
81.07056	1.0
91.05466	0.4
93.07040	0.8
95.04985	0.4
95.08625	0.5
97.06532	0.7
103.44525	0.4
105.06998	0.4
107.08566	0.5
109.10148	0.4
115.05474	0.5
129.86362	0.4
133.10161	0.9
133.15523	0.4
137.05997	2.4
142.51208	0.3
145.10164	0.6
149.06009	0.5
151.03888	0.6
357.18829	100.0
358.19095	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	357.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62210	0.3
53.96595	0.3
67.05516	0.6
69.07058	0.4
69.45279	3.0
79.05489	0.6
81.03405	0.6
81.07065	0.4
85.02892	0.4
87.01991	0.4
93.07053	0.4
95.04947	0.4
98.20846	0.4
99.23890	0.4
105.06977	0.4
107.04932	0.6
107.08594	0.7
109.10134	0.4
119.08646	0.4
121.06509	0.6
131.05008	0.4
131.56741	0.4
137.05971	5.8
151.03868	1.4
177.05341	0.4
251.39674	0.4
265.05368	0.5
273.80142	0.4
283.06238	1.3
283.15170	0.8
295.09192	0.4
301.07349	0.4
325.16379	0.6
327.12393	0.4
357.18826	100.0
358.19104	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	357.2999
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05505	60.8
57.03433	19.1
57.07069	31.5
67.05514	72.7
68.28802	9.3
69.07066	81.8
71.08617	19.8
71.50077	10.7
79.05474	43.2
81.07064	100.0
83.08620	62.4
85.10167	20.4
87.96304	11.6
93.07045	78.1
95.08614	75.1
97.06532	30.1
97.10162	37.1
107.08633	45.3
109.10150	43.1
111.11709	15.6
121.10129	90.7
125.09578	8.6
134.48262	8.9
135.11664	73.0
137.13069	8.9
137.95058	9.1
139.15137	9.3
147.12025	8.8
149.13271	37.5
151.14882	9.1
247.24234	60.9
255.49306	10.6
265.25259	70.8
339.28928	38.3
357.41971	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	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05278	6.1
55.05510	68.0
57.03418	14.2
57.07076	40.1
59.76914	4.3
67.05502	72.5
69.07065	100.0
70.17672	9.4
70.18075	18.4
71.04994	9.4
71.08626	26.3
75.04461	6.0
79.05489	48.5
80.54402	4.4
81.07052	77.3
83.08616	68.5
85.10172	11.8
87.04480	10.4
88.07628	5.0
91.05472	8.9
93.07049	64.4
95.08596	91.6
97.06520	34.7
97.10158	47.1
105.07007	4.8
107.08577	52.9
109.10149	43.1
111.08073	16.0
111.11694	15.8
121.10136	94.7
123.11702	14.6
125.09676	5.6
135.11682	67.0
137.13324	7.5
139.11134	7.8
148.75961	4.7
149.13263	33.5
151.14789	8.8
153.12677	7.2
163.14816	11.7
165.16406	9.5
177.16402	6.2
195.17458	5.5
224.87367	5.3
247.24181	87.2
265.25299	56.8
339.28961	41.6
357.35599	14.1
358.36966	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	358.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14096	0.3
55.01846	0.8
56.96535	1.7
57.03411	0.5
61.02893	1.0
62.06091	0.4
64.28725	0.4
67.05477	0.6
69.03430	3.3
69.07057	0.4
70.06592	1.9
71.04964	0.6
71.48543	0.5
71.48961	0.5
72.08119	0.4
73.02895	0.6
81.03384	1.1
83.04961	0.4
84.04486	0.7
84.08114	1.5
85.02466	0.4
85.02905	5.2
86.09681	1.7
87.04433	0.7
91.03951	0.9
91.05418	0.4
94.06548	0.8
97.02911	2.3
98.97592	1.8
99.04443	0.6
100.07602	0.9
108.08082	1.2
109.02888	0.6
110.06033	0.5
110.97559	0.6
116.98588	1.6
117.05710	0.4
118.49748	0.3
119.04920	0.5
122.05994	0.9
123.06812	26.3
124.07522	1.6
127.03872	1.7
128.98615	0.7
132.08104	2.0
134.05965	0.6
134.99623	0.8
135.04419	0.5
136.07562	1.8
137.05933	0.9
138.05435	1.1
143.01776	0.4
145.04877	0.9
147.04379	0.9
147.06798	0.4
148.07530	1.6
150.05499	6.6
150.09152	3.1
151.06349	0.7
152.07079	2.2
153.59441	0.4
154.08559	0.5
158.99698	0.4
160.07599	2.6
162.98994	0.4
166.08638	8.9
170.03410	0.5
177.00751	0.7
178.04849	0.9
178.08630	9.6
185.04195	0.4
189.00764	0.5
189.04008	0.4
195.53929	1.0
196.09688	100.0
197.04138	0.9
197.10005	1.2
201.04225	0.5
219.01840	0.6
226.16396	0.4
229.44632	0.4
233.06760	0.7
237.02899	1.2
239.02321	0.5
314.12527	0.4
340.10190	0.4
358.11075	1.9
358.14975	15.0
359.09390	3.1
359.14297	1.1
359.18884	0.4
374.49069	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	358.1495
Annotation	Bakankoside
Peak:m/z	Relative Intensity
52.85379	0.3
57.03435	0.8
57.47534	0.3
61.02924	0.4
69.03415	1.4
71.48710	0.6
73.02924	0.4
74.31104	0.4
79.05490	0.4
85.02897	1.3
91.05481	1.6
95.04994	0.3
97.02895	0.8
98.97574	0.7
103.05441	0.4
105.07014	1.3
108.08090	1.3
108.71429	0.3
115.05426	1.0
117.05780	2.5
118.06566	0.4
120.08067	0.4
122.06081	0.4
122.09633	0.6
123.06801	0.5
124.07584	0.8
130.06560	1.6
131.07323	0.3
132.08089	6.2
133.05266	0.6
134.06033	2.5
136.07600	2.7
138.05482	0.3
147.06810	4.4
148.07573	19.6
149.08327	1.0
150.08023	0.5
150.09148	7.2
152.07063	7.3
153.07820	1.3
160.07582	14.9
161.08022	0.4
163.06236	0.4
164.07069	0.4
178.08638	46.8
179.09180	1.2
180.10162	0.8
196.09691	47.1
197.09988	1.0
201.88872	0.3
214.03790	0.5
225.86021	0.3
229.18311	0.3
273.16205	0.3
308.47412	0.4
340.14059	0.7
358.14960	100.0
359.15228	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	358.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	14.5
61.36504	3.8
69.92722	13.1
69.93142	8.2
70.58502	3.0
76.03083	3.5
91.94121	3.3
97.02908	3.7
98.20826	6.4
98.97583	59.8
116.98617	66.7
130.93277	3.9
134.99660	53.5
152.51160	3.4
153.00705	11.1
172.94345	6.5
174.97696	6.2
177.01016	8.0
179.00523	5.3
190.95433	22.8
192.98730	17.4
198.97589	3.6
208.96471	15.6
214.95401	5.2
216.98674	26.0
219.02046	15.5
220.02339	4.3
221.01656	5.9
232.96500	47.1
234.96132	6.6
234.99783	68.6
250.97591	45.6
252.97192	18.0
253.01088	4.2
256.96674	7.2
258.97144	4.0
258.99805	15.3
263.02719	4.2
268.95062	4.7
274.97675	53.8
275.97720	5.2
276.98114	5.9
277.00818	33.5
279.00638	5.0
284.99954	5.3
286.99570	5.8
292.95319	7.0
292.98691	24.1
293.98865	3.5
298.97772	31.2
299.05591	7.5
301.00974	10.1
302.01379	3.8
303.00842	11.0
310.96378	4.4
316.95175	11.3
316.98767	99.8
317.98975	7.9
318.98505	6.4
334.96014	16.7
334.99957	8.6
340.98849	22.3
358.99881	100.0
359.99902	7.2
376.97412	14.1
377.01199	10.8
382.01602	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	359.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	18.0
57.03399	4.4
61.02920	5.3
69.03420	10.8
69.29070	5.0
70.06574	16.0
71.48724	5.4
72.08144	19.0
79.70094	5.3
84.08133	7.9
84.96053	6.4
85.02899	29.1
86.09704	12.8
97.02874	16.1
98.97589	19.4
101.00882	6.4
116.98629	7.0
119.01914	13.5
127.03942	7.6
134.99693	7.5
139.00714	7.0
143.01942	5.4
146.99699	9.5
160.01408	6.6
161.02969	8.5
163.03902	7.6
169.01910	5.7
171.11247	7.5
173.03003	10.1
178.02356	7.0
181.01836	5.3
185.04227	10.7
188.00871	7.1
189.12347	5.8
190.02460	5.8
191.03848	6.6
197.02165	100.0
197.04126	19.4
197.07806	18.1
211.02866	7.3
218.51949	5.5
219.01820	9.4
241.54082	6.8
256.93607	5.5
261.02951	5.1
269.03238	5.4
278.03864	7.1
278.06448	7.5
321.10101	11.6
354.49091	5.5
359.08502	98.2
359.13135	91.4
359.16837	12.9
359.24112	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	359.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.4
56.96564	7.3
57.03436	4.2
61.02924	7.2
68.05021	12.3
69.03441	16.2
70.06584	7.0
70.22105	9.8
70.22497	4.9
71.01377	2.8
72.08129	4.3
81.03410	11.4
84.08123	7.3
85.02905	48.1
85.15530	3.3
85.37651	2.6
86.09705	35.0
95.06107	3.3
96.04492	4.6
97.02897	16.3
98.20879	3.4
98.97572	8.1
99.04390	4.1
105.04517	6.8
105.06994	2.7
106.02895	5.7
109.02863	4.5
116.98614	4.4
120.04436	11.3
123.05535	11.3
124.03954	5.8
124.06330	4.3
127.03924	11.7
128.70082	2.9
133.03951	13.4
134.04773	26.5
134.46906	2.9
135.05507	4.1
136.03946	4.9
137.03514	4.2
145.04958	5.6
147.04434	6.3
147.05521	38.3
151.05025	31.5
152.03413	3.5
161.03510	4.9
162.04251	65.6
163.05046	51.3
163.12691	3.1
164.05740	5.6
164.07054	3.2
168.99969	3.1
179.04501	8.9
180.05310	12.4
197.05583	100.0
197.07495	5.7
199.18039	7.7
219.01758	4.2
227.17500	5.6
237.02748	9.3
247.06433	5.6
354.68219	2.9
359.13190	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	359.1335
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.03955	5.3
64.36948	3.8
69.03426	6.8
71.04184	7.0
71.04519	4.7
79.13218	3.6
81.07048	6.8
83.04949	4.1
85.02909	17.7
95.04971	11.0
95.08615	5.0
97.02901	12.5
99.04463	7.1
103.65649	4.2
105.07010	9.2
106.45269	4.5
107.08591	15.7
109.02887	4.6
109.06554	4.0
111.08078	15.3
119.08569	4.7
121.09703	4.4
127.03912	100.0
133.06447	4.8
133.10147	12.7
135.04471	5.5
135.11687	11.1
153.05382	5.4
161.09601	10.0
173.08813	4.1
179.07025	9.7
179.10603	20.0
197.08081	63.2
197.11742	68.1
207.22134	3.8
210.95940	3.3
255.48978	4.4
302.12772	4.3
345.13388	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1334
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
51.59729	1.4
53.03957	1.6
55.01871	1.7
57.03424	1.7
60.22587	1.3
67.05511	3.5
69.03426	3.9
69.07072	2.8
71.04990	5.6
71.49322	2.7
72.08158	1.3
76.20411	1.3
79.05482	6.5
80.58580	1.5
81.03430	2.9
81.07067	4.9
83.04972	1.8
84.08169	1.5
85.02895	12.1
86.09712	26.6
89.90585	1.5
91.05486	4.0
93.07045	2.8
95.04971	9.2
95.08606	2.8
96.08137	1.8
97.02902	12.5
99.04446	4.1
99.57520	1.3
105.07036	5.7
107.04929	1.8
107.08591	9.9
109.02903	3.1
109.06525	4.8
111.04466	2.3
111.08080	16.1
119.08598	1.9
121.06481	2.6
121.10081	1.4
123.04446	3.8
123.08068	5.0
123.56666	1.4
127.03923	100.0
132.10242	1.4
133.06503	2.5
133.10115	2.8
137.06007	2.9
141.10210	2.9
149.02351	7.4
149.09584	1.6
151.03935	4.4
151.07526	5.6
151.11241	1.8
155.11850	3.5
156.10162	1.8
161.05890	2.5
163.03912	6.0
167.10674	2.9
167.19301	1.6
169.50084	1.6
174.79758	1.5
179.07043	17.1
179.10637	3.1
181.04945	3.3
183.11325	3.7
197.06262	3.0
197.08093	62.7
197.11684	17.4
200.13951	11.1
228.13474	3.5
246.14554	1.3
279.10135	1.5
311.13052	1.8
349.35806	1.4
359.16382	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	359.1488
Annotation	Negundin B
Peak:m/z	Relative Intensity
50.28822	1.2
53.40009	1.0
55.01855	3.3
55.05515	2.4
56.49791	1.0
56.96567	2.5
57.18956	1.0
65.03945	6.4
67.05508	5.5
69.03419	2.5
69.07068	3.7
70.37099	3.7
71.05001	1.4
79.05499	7.3
81.07049	7.4
83.04977	1.3
83.08637	2.1
85.02896	3.5
91.05482	6.5
92.88210	1.1
93.07035	4.8
95.04964	4.1
95.08605	4.1
97.06539	7.6
101.16264	1.1
103.05437	1.6
105.07026	5.5
107.04959	5.3
107.08583	4.4
109.06509	2.2
109.10167	4.2
110.03661	3.1
111.04452	7.7
111.08067	2.0
117.06972	1.3
119.08603	3.7
121.02869	14.8
121.06518	4.3
121.10160	2.9
123.04419	1.8
123.08067	1.4
125.05972	7.1
125.76158	1.0
127.03954	1.7
128.06210	2.1
129.06972	2.3
131.08560	3.5
133.10124	4.3
135.04323	1.3
135.08049	5.6
137.05963	5.1
138.03151	1.8
141.07059	1.5
142.02548	1.2
143.08549	2.2
144.05699	5.1
145.06462	3.8
145.10110	2.2
147.08043	2.3
147.11627	1.5
149.02386	2.9
149.05957	2.0
151.03906	1.8
151.07565	1.3
153.05464	7.2
153.06987	2.2
155.08572	1.6
157.06326	1.4
159.08043	7.6
159.11717	2.5
161.05968	2.6
161.09668	5.0
162.06712	2.5
163.03870	2.3
165.05684	2.0
165.06958	7.3
166.07866	1.5
167.07048	7.9
167.08490	2.8
169.06476	3.7
169.10088	1.5
171.06598	2.6
171.07979	2.4
173.05992	2.2
173.09706	1.6
173.13243	1.3
175.07613	1.3
177.07047	1.2
177.09105	2.5
178.07797	4.3
179.08592	3.8
181.04964	25.1
181.06493	6.2
181.10045	2.2
182.07277	4.3
183.08072	4.1
184.05328	1.3
184.08890	2.0
185.09616	1.7
187.07646	1.5
191.08595	2.2
192.09402	1.6
193.10233	2.5
194.07266	4.3
195.08061	12.3
196.08702	1.6
197.06036	7.7
197.07657	1.5
197.09628	4.1
197.11511	1.7
201.09193	1.2
202.07747	1.8
203.08595	2.8
205.06514	3.2
206.07367	4.0
207.08073	4.5
208.08954	1.4
209.06093	3.5
209.09647	4.6
210.06789	9.0
210.10466	2.3
211.07588	8.4
211.11371	1.9
212.08290	6.4
213.05634	1.6
213.09163	1.5
215.06775	1.4
219.08070	3.4
221.06133	1.6
221.09624	12.8
222.06868	2.9
222.10402	4.0
223.07536	12.9
223.11192	1.7
224.04634	1.7
224.08315	5.9
225.05429	3.6
225.09026	8.3
225.12720	1.5
227.07124	7.2
227.10686	4.2
227.12741	1.4
234.06767	4.7
235.07483	4.0
236.08278	1.8
237.05530	3.2
237.09067	10.8
238.06223	4.4
238.09842	10.2
239.07043	7.4
239.10663	2.5
240.03911	1.4
240.07817	20.4
241.08582	4.7
242.05766	3.2
248.08435	1.7
249.09100	8.0
250.09969	2.8
251.07034	7.1
251.10649	2.4
252.07765	9.0
253.08586	37.9
253.12215	9.6
254.09328	4.5
255.06493	7.6
255.10196	12.2
256.07440	1.6
257.08145	8.3
259.09647	2.3
265.08560	7.7
266.09351	8.6
267.06573	2.3
267.09915	8.6
268.07242	7.1
269.08072	17.0
270.08942	4.0
271.09845	1.5
271.13089	1.5
277.08636	1.8
279.10025	1.5
280.07431	2.7
280.10577	1.6
281.08096	12.3
281.11719	14.1
282.08871	2.7
282.12222	2.2
283.06039	5.3
283.09665	20.1
284.10468	4.8
285.07465	3.1
285.10309	10.8
286.10345	1.5
295.09662	2.1
297.07593	7.5
297.11044	2.6
298.08383	10.1
298.12024	3.7
299.09576	2.1
299.12778	13.0
300.09933	21.8
301.10443	1.6
309.11270	9.5
310.11911	2.5
311.09238	2.2
313.10709	95.2
313.14368	60.7
314.11035	2.0
315.71683	1.4
317.12375	1.7
326.11511	6.6
327.12244	54.7
328.12964	3.3
331.15378	22.5
341.13834	59.2
349.09763	1.4
359.14905	100.0
360.15253	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	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01859	0.8
57.03419	1.0
61.02913	1.3
66.10024	0.6
67.05519	0.8
69.03426	2.8
71.04983	1.0
71.48723	0.8
72.08139	0.6
73.02901	0.7
78.22541	0.5
79.05509	2.9
79.05893	0.5
81.03407	1.3
81.07058	3.4
84.08160	0.6
85.02910	9.3
86.09707	3.9
89.58855	0.7
91.05000	0.6
91.05476	3.4
93.07047	6.7
95.04977	0.9
95.08584	2.0
97.02908	2.0
99.04410	0.6
105.07040	7.3
107.04928	1.0
107.08597	33.7
108.08926	0.8
109.02880	1.1
109.06509	1.4
109.10154	1.7
115.74658	0.6
119.08591	5.5
120.19521	0.5
121.06542	1.4
121.10152	6.2
123.11705	1.1
127.03915	1.7
131.08563	1.0
131.24681	0.7
133.06422	0.8
133.10133	18.9
135.04425	1.2
137.05969	2.3
137.09583	1.1
139.07564	1.8
140.54054	0.6
141.26697	0.6
143.08559	1.0
146.07161	0.6
149.09645	3.6
151.03914	0.9
151.07510	1.1
151.11182	8.0
153.05530	0.8
161.09595	4.7
167.10680	12.4
178.67120	0.5
179.10675	16.4
183.11293	0.7
197.11740	100.0
198.12061	3.9
200.13954	1.9
241.05048	1.0
271.06094	1.1
313.06900	0.7
359.17032	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	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03950	1.0
55.01882	1.3
59.47810	0.9
60.55456	0.9
61.02924	3.6
67.05476	1.0
69.03442	7.8
69.24430	6.9
69.24833	2.4
70.06638	0.9
71.04998	1.8
73.02920	1.1
79.05491	2.5
81.03423	3.5
81.07059	2.0
85.02911	32.6
86.09699	1.6
87.46593	0.8
91.03954	1.3
91.05493	5.0
93.07043	7.2
93.15463	1.0
95.04957	2.4
97.02897	7.7
98.97617	1.0
99.04443	1.8
105.07030	7.7
106.96053	0.9
107.05004	1.7
107.08595	21.3
109.02865	2.8
109.06528	2.0
109.10201	1.9
110.89081	0.9
118.19662	1.1
119.04977	0.9
119.08598	3.0
121.06520	1.6
122.83021	1.0
123.04427	1.1
123.11713	1.6
125.05926	1.1
127.03936	9.8
131.08595	1.7
132.04474	3.3
133.10129	21.1
135.04428	1.2
135.11694	21.6
137.05986	2.8
137.09599	1.5
143.08459	1.0
145.04970	3.5
145.10139	1.0
151.06195	1.5
151.11139	2.1
161.09615	13.8
173.13237	2.5
179.10674	36.9
195.74644	0.9
197.08046	3.6
197.11739	100.0
198.12086	3.4
284.11295	1.0
302.12469	1.8
345.13080	13.3
346.13208	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	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
53.39964	1.5
55.01872	3.4
55.05513	2.5
56.06101	1.3
57.03422	4.7
59.05000	1.4
61.02922	6.5
67.05501	3.9
69.03430	15.7
70.06593	7.1
71.01384	1.5
71.48553	3.0
72.08150	4.9
73.02908	3.7
79.05486	6.0
81.03418	7.0
81.07033	2.9
84.04485	1.7
84.08125	4.1
85.02913	46.8
86.09714	15.4
87.04483	1.8
91.03960	3.1
91.05475	9.7
93.07072	7.5
93.07566	1.3
95.04964	4.2
95.08604	4.0
97.02890	14.9
98.97581	2.4
99.04459	2.6
102.45308	1.5
105.07030	10.3
107.04958	4.3
107.08595	59.1
109.02865	4.1
109.06513	5.1
109.10168	11.0
111.08067	1.3
116.98579	1.8
117.06976	1.3
119.04931	1.6
119.08579	5.3
120.08120	1.9
121.06511	4.3
121.10173	1.7
122.01611	1.3
123.04426	3.8
123.08059	2.2
127.03938	12.0
129.07030	1.7
129.10237	3.2
131.04958	2.3
131.08615	1.4
133.02847	1.6
133.10136	26.6
135.04411	5.5
135.11714	9.3
137.05988	10.1
137.09625	9.8
145.04939	8.0
147.04401	2.5
147.05511	2.2
151.03886	4.8
151.04991	1.6
151.07487	1.8
151.11176	6.0
153.05490	3.5
157.09744	1.5
161.09668	11.9
163.03914	1.6
175.07523	3.1
177.05504	2.5
179.07018	2.0
179.10690	27.8
187.07504	2.1
189.09062	2.4
197.11736	100.0
198.12128	2.2
201.09196	1.6
219.10202	2.4
269.04520	3.8
269.08057	1.8
271.05963	4.2
299.90436	1.5
311.12720	2.7
313.07001	2.0
339.93079	1.5
341.13968	2.1
350.11230	2.0
359.12122	2.9
359.12857	1.9
359.16504	8.1
360.10516	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	359.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82468	3.1
54.34687	2.8
55.05502	14.8
57.03430	7.0
57.06808	6.9
57.07078	100.0
66.19315	3.6
67.05513	32.8
69.07056	17.5
69.80632	17.2
69.81063	6.6
70.06591	5.8
71.08249	5.9
71.08632	83.1
75.04461	4.3
79.05476	3.9
81.07054	38.7
83.08633	21.5
85.10184	41.6
88.07608	6.3
91.05451	3.9
93.07042	9.0
95.08611	61.8
97.10173	28.1
102.75220	3.5
105.03723	19.4
109.10151	36.9
111.11729	14.1
121.10168	4.8
122.06365	4.5
123.11722	17.8
137.13258	7.7
146.72084	3.9
267.26877	11.0
285.27811	6.5
296.29526	30.8
341.30585	57.5
359.23492	5.3
359.37146	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	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57186	7.3
55.05510	56.9
56.96557	13.7
57.03441	19.7
59.05006	49.9
67.05511	89.8
69.03435	15.5
69.07074	100.0
70.06595	9.0
70.27598	23.9
70.27969	14.5
71.05000	70.3
73.02909	13.9
76.25606	7.7
79.05505	76.7
79.93726	7.0
81.03422	23.1
81.07063	73.6
83.04972	20.0
83.08605	32.1
85.02879	11.3
85.06557	20.3
89.03895	7.4
91.05479	43.0
93.07060	64.7
95.04974	27.2
95.08610	48.6
97.02939	8.8
97.06541	63.8
97.10178	50.2
98.97572	10.1
105.07037	32.6
107.05009	10.2
107.08592	48.0
109.06525	19.7
109.10172	45.3
111.08134	13.6
115.07577	34.9
117.07003	9.2
119.08567	28.3
121.06524	23.5
121.10130	30.3
123.08092	12.5
125.09631	44.8
129.01840	10.3
129.07013	12.3
131.08553	21.0
133.10135	13.4
135.08006	8.3
137.09630	15.5
145.10072	18.7
153.05602	8.3
153.12779	22.0
163.03937	9.6
166.85825	8.0
171.11797	7.5
173.11737	30.3
173.13202	13.0
189.11227	22.0
223.13306	10.5
237.14825	9.8
273.31647	8.3
315.15164	7.7
350.85809	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	26.2
56.96555	9.0
61.82784	6.2
62.06086	8.1
65.20216	7.5
67.05506	54.1
69.07062	43.9
70.40847	19.5
71.04994	75.9
79.05498	64.2
81.07067	31.1
83.04952	7.3
83.08635	13.3
88.38866	6.1
91.05483	26.7
93.07050	65.6
95.04982	7.0
95.08605	29.2
97.06520	15.9
97.10175	24.9
105.07044	17.8
107.04982	10.2
107.08577	38.9
108.95787	6.8
109.10170	56.2
113.09637	8.1
116.11533	7.7
119.08550	11.3
121.10151	85.6
125.09634	18.1
129.11925	8.2
131.08611	7.2
133.10112	10.8
135.04541	6.9
149.09607	7.1
153.12738	47.1
155.10732	15.4
159.08092	17.8
162.05852	6.3
171.10063	6.0
173.11717	100.0
189.11211	22.9
224.62106	6.7
235.16856	7.6
255.17549	9.6
275.20102	44.2
297.06055	69.3
315.07111	65.5
320.07538	15.5
333.08081	9.3
338.08688	40.0
356.09830	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	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70608	7.1
53.04521	6.8
55.05516	49.1
56.96566	11.9
67.05502	72.4
69.07059	41.4
70.06592	9.0
70.07426	31.2
71.04992	73.4
75.57733	6.7
79.05493	79.0
79.86879	6.7
80.05878	6.3
81.07060	44.7
83.08605	19.2
84.29469	7.5
85.06559	7.9
87.16422	7.0
91.05489	25.8
93.07040	87.9
95.04955	10.6
95.08602	47.3
97.06538	18.4
97.10178	21.3
98.97576	21.8
101.76302	7.5
105.07027	28.3
107.08584	67.2
109.10152	69.6
116.98614	17.0
117.07025	8.8
119.08571	29.0
121.06520	18.6
121.10143	72.8
125.09614	20.5
129.83994	7.0
131.08569	9.7
132.70796	8.4
133.10144	21.9
135.11703	10.9
145.10133	8.3
149.09648	17.8
153.12703	34.9
155.10611	12.3
158.99602	12.6
159.11673	11.4
163.55417	7.5
166.41768	6.8
173.11734	100.0
177.00729	17.0
189.11217	22.3
266.08087	7.1
275.20016	42.5
373.44186	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	361.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01860	5.0
56.96559	12.5
57.03444	4.1
61.02924	9.9
65.78809	3.0
67.05500	8.6
68.86751	3.1
69.03434	29.8
69.07070	5.7
70.06588	14.7
71.10162	5.0
71.10516	7.6
72.08161	7.2
73.02931	6.2
79.05490	20.1
80.05000	4.8
81.03406	10.2
81.07050	14.0
83.05006	3.1
84.04514	7.0
84.08137	21.0
84.96037	4.2
85.02911	63.7
86.09709	13.6
88.21388	3.5
91.03920	5.5
91.05472	11.7
93.07028	23.7
94.06603	5.1
95.04968	10.2
95.08610	6.1
97.02896	21.3
97.06542	4.4
98.97582	19.7
100.07632	16.3
105.07032	5.3
107.04977	6.8
107.08591	13.4
109.02880	3.3
109.06527	8.7
109.10168	8.7
110.07184	4.3
111.04427	4.5
112.07652	3.7
113.07947	5.0
114.84395	3.6
116.98626	12.5
120.08112	14.9
121.06511	33.4
122.09656	27.2
123.08044	7.8
125.09623	3.9
127.03922	11.1
128.98613	4.4
129.01874	5.8
129.10249	7.9
131.04976	4.3
131.26239	3.6
132.04266	4.9
134.99641	5.7
135.08072	8.5
136.07619	3.9
137.05995	11.5
137.09583	3.7
138.09157	9.1
139.07539	14.7
140.10725	20.9
145.05055	7.1
146.99646	5.4
147.04405	7.0
149.06001	13.1
151.03847	4.3
151.07529	4.0
152.10635	3.7
153.09126	5.2
156.07512	4.1
156.10193	5.7
158.11719	4.8
158.99600	3.5
159.05568	5.4
161.11626	3.4
162.25069	3.8
163.03889	6.7
163.07574	13.4
165.05550	4.1
165.09024	5.4
166.08557	4.1
167.07043	100.0
167.08438	5.2
177.00679	8.3
179.07016	6.3
181.08508	6.8
184.31161	4.1
187.05043	5.5
191.05530	10.4
191.44286	3.6
195.06485	5.7
199.06474	3.7
199.09636	28.6
209.05621	5.6
217.03815	10.2
234.98997	5.4
235.04906	5.8
237.02762	11.4
239.05243	4.4
301.11426	6.6
343.04874	3.7
343.12750	8.4
343.17880	10.9
361.13818	65.7
361.18726	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	361.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01870	3.6
62.46586	1.3
65.03947	2.4
67.05514	2.4
69.03441	2.8
70.06595	1.6
71.04503	3.6
71.04973	2.2
76.64400	1.1
78.04720	1.9
79.05495	17.1
81.07050	4.2
83.05000	2.0
85.02923	2.6
86.09779	1.4
91.05479	28.0
93.07030	13.1
94.04189	1.6
95.04975	12.0
95.08607	2.4
97.06496	2.1
98.97598	1.3
99.04406	1.1
103.05483	14.7
105.03393	1.7
105.07035	14.3
106.04185	2.0
107.04230	2.1
107.04963	41.8
107.08588	1.7
109.06520	4.5
109.10175	1.7
111.04462	3.0
115.05424	6.2
116.06260	2.1
117.07050	5.9
118.04153	2.8
118.13259	1.1
119.04995	7.5
119.08612	3.3
120.05748	3.3
121.02876	1.4
121.06515	24.3
122.03682	2.8
123.04417	10.1
124.05205	9.5
125.06015	4.9
128.06242	13.0
129.07014	34.0
131.04930	13.5
131.08580	14.7
133.02834	2.3
133.06497	5.7
133.10170	1.9
135.04422	4.9
135.08070	7.1
136.05196	2.5
137.05974	21.3
138.03116	1.7
138.06796	2.3
140.04681	2.3
141.07010	1.6
143.08589	3.2
144.05736	2.3
145.06497	9.4
146.03630	2.9
146.07278	5.2
147.04422	5.6
147.08070	4.2
148.05211	5.4
149.06009	7.9
149.09515	1.9
150.06770	1.7
151.03920	6.5
151.07549	20.5
152.04695	5.7
152.06183	2.0
153.05470	18.5
153.06908	2.6
154.07814	1.7
155.07120	1.5
155.08534	1.7
156.05830	1.5
157.06502	22.9
158.07315	1.7
159.08073	4.4
160.05215	1.6
161.05984	59.9
161.09616	16.9
162.06630	2.3
163.07552	23.6
164.08269	1.3
165.05521	4.2
165.07014	11.3
165.09082	9.2
166.06259	9.8
166.07773	4.5
167.07053	76.2
167.08577	6.7
169.06485	2.6
169.10091	1.6
171.08139	2.1
174.06758	14.2
175.07518	12.0
177.05556	2.4
177.07033	2.8
177.09135	8.9
178.07817	3.2
179.07074	3.4
179.08598	7.3
179.10838	2.0
181.06567	6.4
181.08601	100.0
182.07289	8.4
182.08820	2.5
183.08092	3.6
187.07599	3.6
189.09100	83.9
190.07870	2.3
190.09462	3.1
191.06990	2.6
191.08585	5.3
191.10706	2.2
193.06531	5.0
193.08549	2.5
193.10162	1.3
194.07335	5.9
195.08104	14.6
196.05124	1.3
196.08853	2.7
197.05998	3.4
197.09624	12.0
199.07582	4.0
203.08728	1.9
203.10568	2.7
205.06514	2.1
205.10277	2.0
207.08061	5.0
207.10193	22.7
208.08861	5.3
209.05899	2.7
209.09560	3.6
210.06732	7.1
211.07607	9.0
212.08293	3.0
213.09131	1.8
218.07388	3.0
219.08041	7.6
219.10025	2.8
221.05992	8.2
221.09685	1.5
222.06804	3.6
223.07533	10.3
223.11203	5.9
224.08295	3.3
225.05513	3.8
225.09113	17.8
226.09615	2.0
227.06950	6.8
227.10678	2.2
229.12294	5.6
233.09654	1.8
235.07564	3.5
236.08411	4.3
237.09151	5.2
238.06277	3.7
239.07063	5.4
239.10724	4.5
240.07735	7.7
240.11385	1.4
241.08594	4.5
242.09190	3.1
247.07634	4.4
250.10005	2.0
251.07030	5.8
251.10645	7.5
252.07854	1.9
253.04964	1.8
253.05713	1.8
253.08580	16.1
254.09409	3.1
255.06548	4.7
255.10107	8.0
257.08063	2.8
257.11713	16.8
262.15353	1.3
264.07758	2.3
265.08694	4.2
267.06781	2.3
267.10168	3.5
268.07333	4.5
268.10458	1.7
269.08069	2.9
269.11627	2.6
270.08862	4.3
271.13306	1.9
279.10233	8.2
281.08060	3.0
283.09714	15.7
283.13315	12.6
285.07999	2.4
285.11212	34.3
286.11917	1.5
296.10367	3.2
297.11252	6.0
299.09164	4.0
299.12784	4.8
301.10910	1.2
301.14297	1.7
302.11536	5.5
311.12796	9.9
312.13232	1.6
314.11395	2.3
315.12238	18.7
317.13788	17.8
328.13040	1.9
329.14166	3.1
331.15485	3.3
343.15573	8.5
361.16574	16.0
361.20535	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	361.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01862	4.7
55.05508	3.4
57.68849	1.6
63.44845	1.5
65.03956	2.8
67.05509	10.1
69.03431	4.7
69.07069	4.4
70.06586	2.4
70.24187	5.7
70.24587	3.1
71.05007	2.4
78.04704	3.8
79.05503	16.7
81.03400	2.8
81.07080	9.6
83.04977	2.1
83.08616	2.3
84.08170	3.0
84.56846	1.6
85.02897	5.6
86.09737	1.8
86.82188	1.5
91.05486	27.0
92.06273	1.9
92.82611	1.5
93.07050	16.4
95.04960	13.3
95.08606	4.2
97.02905	2.5
97.06516	2.1
103.05453	14.8
105.07051	14.6
107.04951	32.4
107.08582	4.3
109.06495	6.2
109.10145	6.2
111.04396	4.0
111.08080	3.9
115.05457	5.7
116.06241	1.7
117.07015	6.2
119.04945	7.6
119.08573	5.7
120.08091	2.2
121.02898	1.6
121.06509	22.1
121.10204	2.1
122.03636	3.5
123.04436	8.4
123.08051	2.3
124.05224	5.9
125.06005	5.2
127.03935	1.9
128.06226	8.8
129.07004	27.3
131.04901	11.9
131.08595	10.4
133.02844	3.1
133.06496	4.0
135.04404	4.8
135.08069	8.4
136.05209	3.0
137.05975	22.0
138.06767	1.7
143.04919	1.7
143.08549	2.6
144.05617	2.4
145.06471	10.0
146.03610	2.7
146.07253	2.8
147.04385	4.7
147.08080	4.8
148.05159	2.9
149.05963	6.7
151.03902	6.3
151.07542	20.7
152.04610	3.7
152.05722	5.3
153.05501	16.9
153.06711	3.1
154.07817	2.9
155.07077	2.3
155.08585	2.7
157.06526	17.2
159.08098	3.1
161.05983	42.6
161.09605	12.1
162.06639	2.4
163.07553	26.0
163.14857	4.2
165.05702	3.2
165.06976	11.5
165.09085	9.4
166.06320	11.8
166.07629	2.8
167.07059	64.8
167.08553	5.5
173.06027	2.7
173.11739	7.0
174.06783	14.4
175.07556	9.8
177.05463	2.8
177.06914	2.5
177.09065	7.9
178.07817	2.1
179.07077	3.8
179.08588	6.7
180.07755	3.2
181.06844	3.4
181.08606	100.0
182.07404	8.0
182.08871	2.6
183.08080	1.8
189.09116	78.7
190.09486	2.5
191.08617	3.9
191.10680	2.2
193.06512	4.0
193.08528	2.4
194.07300	4.2
195.08063	13.4
195.09886	2.2
196.08861	2.1
197.05989	3.4
197.09631	8.8
199.07521	3.2
199.16910	4.1
207.08102	4.5
207.10179	16.6
208.05164	2.7
208.08780	3.8
209.09692	2.2
210.06805	6.6
211.07578	4.9
212.08240	2.6
219.08029	5.6
221.05986	6.2
221.09659	1.9
222.06686	4.2
223.07472	8.6
223.11069	4.4
224.08260	3.3
225.05444	4.7
225.09093	15.3
227.07037	4.3
227.10652	2.5
229.12218	2.7
229.14226	2.3
235.07576	3.8
236.08371	3.4
237.09163	5.1
238.06248	2.4
239.07025	4.2
239.10596	4.2
240.07768	5.6
241.08537	3.7
242.09236	3.3
247.07518	2.6
250.06290	1.8
251.06969	4.6
251.10779	8.7
253.08614	14.8
255.06508	4.5
255.10201	5.8
257.11743	16.3
259.09631	1.9
265.08600	2.3
267.06531	2.3
267.09937	3.0
268.07425	2.7
270.08795	3.5
271.13379	2.3
279.10141	6.6
281.08035	3.0
283.09610	13.5
283.13272	10.6
285.07993	2.1
285.11206	35.1
286.11377	2.8
297.11191	4.9
299.09131	2.8
299.12723	3.3
300.09875	2.3
301.14453	2.7
302.11502	3.0
311.12943	8.5
315.12320	16.4
317.13861	24.9
329.13962	5.8
331.15591	3.5
343.15421	10.0
361.17017	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	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89457	1.6
52.06266	1.9
53.03943	3.7
55.01861	4.5
65.03937	3.4
67.05489	6.9
69.03410	2.1
69.53727	13.4
71.04964	2.2
78.04702	2.5
79.05496	17.7
81.03408	1.7
81.07056	7.4
81.09013	1.5
83.05000	3.6
84.08154	1.6
86.09705	1.8
89.03924	1.7
91.05474	33.1
93.03381	2.6
93.07039	15.0
95.04971	10.9
95.08599	5.0
97.06522	4.7
98.06700	1.5
98.20870	3.6
103.05455	13.3
105.07043	12.3
107.04945	33.8
107.08613	3.9
109.06512	3.9
109.10142	3.5
110.03698	2.2
111.04424	4.4
115.05438	2.5
117.07007	7.8
119.04940	6.4
119.08573	3.7
120.05777	2.4
121.06510	16.5
121.10130	4.4
123.04429	7.8
123.11697	2.3
124.05186	6.2
125.05939	3.8
128.06221	7.8
129.06995	32.7
131.04918	12.6
131.08557	16.9
132.92693	1.7
133.02834	3.7
133.06487	7.8
133.10063	2.1
135.04385	3.2
135.08067	8.7
136.05310	2.0
137.05965	19.5
139.07524	2.4
141.06992	3.7
144.05699	1.9
145.06519	8.5
146.07211	4.1
147.04376	4.5
147.08002	3.0
147.11754	2.9
148.05179	7.8
149.05939	8.8
149.09554	2.4
150.06729	3.1
151.03920	6.4
151.07539	20.3
152.04620	4.2
153.05453	16.1
153.06735	3.0
155.07082	2.5
155.08536	1.8
156.05630	2.2
157.06493	21.3
159.08031	2.6
161.05971	65.4
161.09605	17.3
162.06587	1.9
163.07547	25.2
165.05569	4.0
165.06989	11.8
165.09090	8.8
166.06329	13.7
166.07629	3.0
167.07043	76.6
167.08444	4.8
168.07477	3.3
169.06474	3.7
171.08044	3.0
173.06001	1.9
174.06747	15.0
175.07581	8.9
177.06929	4.2
177.09102	8.2
178.07782	2.3
179.07028	6.3
179.08588	8.0
179.10698	2.1
179.52423	1.8
180.07773	1.9
181.06639	5.1
181.08589	100.0
181.09845	3.6
181.15866	1.6
182.05746	2.3
182.07256	9.0
182.08832	3.3
187.07555	2.6
189.09094	97.0
190.07866	3.4
190.09415	3.5
191.08557	4.5
191.10466	1.5
193.06458	5.2
194.07312	5.3
195.08067	11.3
195.09773	2.3
195.11786	2.0
196.08727	2.8
197.05971	4.9
197.09618	8.9
199.07495	3.1
203.10715	2.0
205.06493	2.0
205.08435	2.3
205.15906	2.0
207.08095	7.2
207.10159	28.2
208.05312	2.3
208.08780	4.5
209.05865	2.9
210.06747	5.2
211.07567	7.0
212.08337	4.3
219.08015	7.4
221.05951	5.9
222.06757	4.2
223.07558	9.1
223.11195	5.4
223.16791	2.2
224.08266	3.3
225.05566	3.2
225.09074	15.3
226.09819	2.5
227.07069	8.5
229.12254	3.1
235.07445	3.3
236.08482	2.4
237.05533	3.5
237.09113	4.7
239.06964	4.5
239.10678	3.2
240.07843	5.1
241.08472	3.0
242.09375	3.8
247.07265	3.1
251.07063	5.7
251.10680	7.0
252.07581	2.6
253.08600	20.8
254.09334	2.4
255.06525	5.3
255.10109	7.8
257.07974	3.0
257.11761	14.4
259.09558	2.4
265.08615	3.4
267.10104	4.6
268.07297	2.9
269.07993	4.6
270.08884	5.1
271.09567	2.2
271.13400	2.9
279.10120	6.7
281.08240	3.0
283.10196	14.0
283.13257	13.0
285.08014	1.7
285.11169	37.5
286.11786	2.5
296.10233	2.0
297.11270	5.3
299.09006	3.2
299.12842	3.9
301.10455	1.9
301.14368	3.1
302.11478	6.1
311.12671	11.1
315.12164	22.0
317.13791	22.6
329.13965	3.5
331.15256	4.2
343.15317	12.4
361.16434	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	362.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.1
53.03943	0.3
55.01858	0.2
56.96574	0.1
62.24191	0.1
65.03919	0.1
66.04709	0.1
67.05502	0.3
69.03428	0.2
69.07043	0.1
69.33652	0.3
69.34056	1.0
77.03909	0.2
79.05499	1.4
81.07043	0.4
85.02877	0.1
86.99998	0.4
87.55666	0.1
89.03887	0.2
91.05467	0.3
93.07031	0.2
93.41022	0.1
94.04189	0.9
95.04964	0.6
95.08600	0.2
96.84079	0.1
97.06517	0.3
97.56097	0.1
98.03688	0.1
98.06876	0.1
105.03381	0.2
105.07041	0.2
107.04926	0.2
107.08562	0.2
109.02856	0.4
109.06535	0.9
121.02825	0.2
121.10135	0.1
122.03639	1.6
125.01540	5.6
126.03131	0.3
128.10670	0.1
129.01019	0.9
131.04884	0.1
137.01521	0.3
137.05957	0.2
138.99452	18.7
139.99776	0.4
146.03568	0.2
152.06212	0.5
155.07011	2.9
162.99437	0.4
163.03883	0.3
164.74445	0.1
165.05466	57.6
166.05826	1.1
166.07768	0.2
167.08549	1.5
168.04181	0.2
169.10036	0.1
176.06137	0.1
177.06943	0.3
178.07771	0.4
179.08542	0.3
181.06520	0.2
187.03107	0.5
188.07007	0.1
192.05701	0.1
193.06433	0.2
194.07300	0.4
195.08032	1.9
199.03114	0.7
201.04642	0.5
205.06371	0.3
212.03889	0.4
213.04472	0.2
215.02573	2.9
222.06561	0.1
223.07521	2.5
226.01767	0.4
227.02538	2.0
228.03371	0.6
229.04144	1.0
230.04906	0.4
235.07521	1.3
238.09889	3.0
239.02441	0.2
240.03157	0.2
241.04095	0.6
242.04919	7.7
243.02074	4.0
243.05486	0.5
244.02324	0.2
251.06973	0.3
255.02151	0.2
256.02850	0.3
257.03641	1.7
258.04416	7.3
259.04822	0.2
259.09705	0.1
260.05896	0.2
266.09360	0.8
270.04419	1.3
271.01575	0.3
273.06747	9.3
274.07193	0.3
285.02808	0.2
285.05630	0.2
286.03870	1.2
301.06232	100.0
302.06570	3.7
313.04590	0.1
344.10587	0.2
362.11536	3.5
362.15939	0.2
362.28998	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	362.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05510	4.8
56.96541	1.8
57.07072	6.8
60.29396	0.9
67.05193	1.3
67.05508	13.7
67.20138	0.9
69.03403	0.9
69.07071	2.3
70.01434	5.3
70.06588	14.9
71.02052	0.8
71.04987	16.7
71.08619	3.3
79.05487	3.0
81.07055	10.9
83.08605	2.6
84.08153	1.9
88.07632	11.9
91.05462	1.4
93.07014	2.7
95.04963	1.3
95.08586	2.1
97.10145	2.7
99.08086	1.6
102.09180	1.9
105.07045	1.4
107.08584	2.7
108.23331	0.9
109.10149	7.5
111.08097	1.8
114.09158	7.6
118.08672	1.2
119.08593	1.8
121.10055	1.1
123.11688	1.6
125.09612	4.7
132.10202	25.1
145.10086	1.3
155.10599	1.1
155.13130	1.2
155.14293	13.3
173.11736	14.2
176.12825	3.4
189.11230	3.9
194.13956	5.4
242.24586	1.5
256.26266	5.5
274.27399	3.3
277.21582	2.0
318.29947	2.1
362.32620	100.0
363.21518	2.0
363.33038	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	363.1649
Annotation	Suspensoside A
Peak:m/z	Relative Intensity
51.44275	1.1
53.03936	2.6
55.01870	4.0
55.05502	4.4
56.96565	4.4
57.03436	5.5
61.02916	2.7
61.19975	1.3
65.03916	1.3
67.01857	1.4
67.05505	29.0
69.03436	13.4
69.07065	3.6
69.80379	1.3
70.03748	1.3
70.06589	3.4
71.04979	3.6
71.24592	2.8
72.08151	4.0
73.02908	1.9
79.05494	7.0
81.03422	28.6
81.07057	32.9
83.04958	1.7
84.08150	2.7
85.02909	20.8
86.09729	5.7
91.05488	7.4
93.07046	7.1
95.04977	7.4
95.08613	13.3
97.02903	9.2
97.06563	1.9
98.97601	5.1
99.04461	4.8
99.08099	2.7
102.01311	1.4
105.07022	3.6
107.04964	4.2
107.08592	3.5
109.02878	5.3
109.06517	2.5
109.10161	100.0
110.10530	2.3
110.97592	1.3
111.04449	4.6
115.05482	1.8
116.07079	2.6
116.98644	4.3
117.07042	1.3
119.08601	6.6
120.08109	6.0
121.06489	1.6
121.08471	1.8
121.10156	7.6
123.04433	2.4
123.08080	2.1
125.06002	9.4
127.03922	7.6
127.07568	2.7
131.04904	3.0
133.06451	2.5
134.99632	2.1
137.06010	1.9
137.09624	60.3
138.09100	1.8
139.03938	2.7
145.04971	2.2
145.06453	1.4
146.99638	2.3
147.04445	2.2
147.08034	7.8
155.10667	46.2
158.99670	1.5
159.04413	1.3
160.05206	5.6
161.01218	2.6
161.05966	4.0
161.09648	2.1
165.05406	2.2
165.09120	68.4
168.03592	2.0
168.53780	2.6
173.05984	2.1
177.00731	1.5
177.04144	2.0
177.54333	2.3
183.10181	32.4
185.16428	1.8
189.00824	2.2
191.02190	1.5
191.03864	2.0
201.11226	39.2
203.10750	1.3
219.01680	1.3
219.12148	1.5
219.14972	1.5
237.02811	5.2
238.02982	1.6
246.05762	2.4
246.55977	4.7
271.13351	3.8
272.07236	2.7
272.57437	5.7
273.07410	1.4
281.07803	6.9
281.57993	13.6
282.08044	8.2
282.57724	1.7
289.14426	2.5
309.32941	1.3
363.11066	2.7
363.18265	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	364.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.2
55.05504	0.5
57.03426	0.5
67.05495	0.8
69.03411	0.3
69.07060	0.4
70.64746	0.4
70.65103	0.4
77.26563	0.2
79.05514	1.1
81.03415	3.8
81.07070	1.0
82.03742	0.6
83.04944	0.4
83.08611	0.7
85.02928	1.0
93.07017	1.0
94.04066	0.4
95.04955	1.0
95.08599	0.4
95.57861	0.2
97.02915	0.3
97.06532	0.4
105.07034	0.9
107.04954	0.4
107.08566	0.4
109.10116	0.2
111.04449	0.3
111.08069	0.4
113.05991	0.3
119.03597	1.2
119.08559	0.6
121.10128	0.7
129.06999	0.5
131.08559	0.4
133.10069	0.3
135.04453	0.4
136.06180	100.0
137.04623	1.2
137.06657	1.0
147.11633	0.4
149.09633	0.3
157.10120	0.6
165.12726	0.3
167.10608	0.3
175.11176	0.5
193.12219	1.6
211.13289	2.5
241.10373	0.2
247.10869	0.2
272.13568	0.3
287.10999	0.3
302.17535	0.3
325.30142	0.2
346.18732	4.7
347.18939	0.2
364.19772	33.1
365.20093	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	364.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
57.03429	0.3
67.05502	0.7
69.03436	0.3
69.07064	0.4
71.24471	0.2
79.05497	1.0
81.03416	3.6
81.07027	0.9
83.04971	0.6
83.08627	1.3
83.58752	0.2
85.02878	0.6
93.07044	1.4
94.04053	0.6
95.04971	1.0
95.08591	0.3
98.21548	0.6
100.58739	0.2
105.07028	0.8
107.04968	0.3
107.08595	0.9
108.25593	0.2
109.06538	0.2
111.08105	1.0
119.03563	1.2
119.08566	0.6
121.10151	0.5
122.28131	0.2
129.07018	0.5
131.08574	0.3
133.06512	0.3
133.10117	0.2
136.06184	100.0
137.04628	1.4
137.06616	1.1
147.11719	0.5
149.09576	0.5
152.05641	0.4
154.07233	0.3
157.10118	0.6
167.10669	0.5
174.07791	1.0
175.11243	0.6
178.62553	0.2
193.12224	1.6
206.07988	0.2
211.13289	2.3
229.55023	0.2
302.17639	0.4
310.16602	0.3
328.17618	0.7
345.40659	0.2
346.18704	2.0
364.19778	32.2
365.20096	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	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47868	0.4
69.26555	4.6
69.26873	0.7
89.44993	0.4
115.67059	0.4
181.00789	0.5
185.02586	0.9
185.04228	19.4
203.05269	38.5
208.90012	0.4
236.59030	0.5
365.10602	100.0
366.11063	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	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63584	0.6
70.02080	2.4
71.36871	0.5
88.70518	0.5
97.08269	0.6
98.20885	0.6
114.21253	0.5
117.18004	0.5
185.04218	19.2
203.05263	40.9
245.05388	0.6
365.10577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.7
53.03942	3.6
55.01870	1.4
55.05503	2.0
59.01369	0.6
61.02929	0.6
65.03941	1.6
67.05501	12.2
67.05852	0.8
69.03427	0.9
71.01367	0.6
77.03917	1.0
79.05490	40.6
81.03416	10.8
81.07051	6.4
83.01331	0.4
83.04993	2.1
83.08605	0.4
85.02877	0.6
91.05472	6.1
93.03403	1.9
93.07042	5.1
95.01334	5.2
95.04963	11.9
95.08607	4.6
97.02911	0.6
97.06541	1.2
99.05811	0.4
103.05453	2.7
105.03403	0.8
105.04536	1.3
105.07054	2.1
107.04951	75.3
107.08572	0.6
108.05728	0.7
109.02953	0.5
109.06506	4.7
109.10172	0.6
109.44147	0.4
111.04432	5.2
111.08090	1.5
119.08545	0.8
121.02875	0.8
121.06498	6.2
121.10108	0.6
123.00753	2.2
123.04430	1.5
123.08123	0.5
125.02348	0.6
125.06006	1.1
131.04942	1.1
135.04402	17.7
136.06177	18.1
137.04526	1.2
137.06689	6.3
139.03886	4.9
139.07536	4.4
141.05472	0.7
143.08542	0.5
147.11703	0.6
149.05971	4.3
151.03900	4.2
151.38866	0.4
153.05458	26.3
155.03336	0.7
157.05084	0.5
157.10149	0.6
159.04379	0.6
165.05498	1.3
167.07030	100.0
168.07339	0.8
177.05467	6.5
181.08563	0.9
195.06516	18.7
209.08081	84.5
210.08388	1.1
227.09233	0.7
233.09500	0.4
282.23438	0.5
347.18866	1.3
365.12524	3.0
365.19986	8.4
365.24179	0.6
372.08017	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	365.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58646	0.6
55.01849	1.5
55.05503	1.8
56.05024	1.0
56.96557	1.5
57.03392	1.2
60.04528	1.3
67.05490	2.0
68.05028	1.3
69.03418	3.3
69.07056	2.8
70.02938	0.8
70.06602	4.1
71.04991	1.0
71.48965	1.3
72.04489	0.7
72.08160	4.9
73.02895	0.9
79.05479	1.6
80.05004	1.3
81.03417	1.9
81.07052	2.8
83.04987	1.1
84.04519	5.5
84.08138	3.7
85.02892	3.8
86.06047	0.8
86.09727	3.4
87.04442	0.8
91.05479	2.1
93.07045	2.1
94.02895	0.8
94.06553	2.0
95.01328	1.8
95.04967	1.9
95.08583	1.2
96.04475	1.2
96.08089	0.8
97.02882	2.3
97.06504	1.3
98.06061	3.1
98.97590	1.8
99.04436	1.2
105.07021	1.4
106.06542	0.9
107.04953	2.2
107.07373	0.9
107.08578	1.1
107.89043	0.7
108.04483	32.2
109.10143	1.8
110.06045	4.1
111.04413	0.9
112.08666	0.8
114.05563	0.7
114.10304	2.7
116.07109	1.1
116.98573	1.2
119.04940	0.9
119.08605	1.1
120.04485	5.0
120.08103	1.8
121.06422	0.8
122.02398	69.6
122.06044	4.8
123.02724	0.8
123.04432	1.0
124.03969	8.1
124.07618	5.2
124.08385	0.8
126.05518	0.8
126.79125	0.7
129.10246	2.1
133.10106	0.9
134.99672	0.8
135.08080	1.3
135.95354	0.6
136.07587	1.2
136.74652	0.6
137.05936	0.9
137.09593	1.5
138.05486	4.0
139.03891	0.8
140.03432	3.6
140.07051	6.1
146.51488	0.9
147.04443	1.1
147.05527	2.7
147.08098	1.2
147.11671	0.7
148.03925	6.5
148.07527	1.0
149.05957	0.9
150.05499	4.1
152.03391	1.9
152.07074	12.1
154.04985	2.6
156.06563	1.8
160.07608	1.1
161.01300	0.8
162.05522	1.0
164.03429	4.3
164.07092	1.2
165.04210	3.4
165.05453	1.0
166.05003	34.3
167.07091	1.2
168.06567	26.8
170.08136	18.8
170.09605	1.2
173.05991	0.8
173.13264	0.7
174.09033	0.8
175.08649	1.1
176.07083	1.6
182.04497	57.9
183.05278	17.4
184.06046	2.7
185.07144	0.9
189.12737	1.2
190.08687	1.2
196.06058	100.0
197.06740	3.9
198.07677	3.3
199.08794	1.4
200.06955	1.4
202.08580	1.0
203.08214	4.9
204.06520	1.0
209.08018	1.2
214.08614	1.1
215.08179	0.9
217.09892	3.8
219.14948	2.0
226.08528	0.8
227.08159	3.8
229.09474	0.8
230.08104	1.5
233.98053	1.0
236.09247	1.7
241.09694	1.6
242.07967	1.1
245.09238	9.3
247.10730	1.4
255.07631	1.2
259.10809	2.7
260.57077	0.9
263.10434	4.8
269.09250	1.3
271.10620	1.0
272.09180	1.9
273.08673	2.4
279.13229	0.7
287.10184	5.4
289.11823	2.7
290.10190	1.5
291.09702	4.6
301.11499	1.1
305.08255	1.3
305.11377	15.9
315.09851	3.2
323.12369	6.8
333.10806	37.6
334.11066	1.4
347.12262	3.2
347.22556	1.1
365.08493	3.7
365.13370	15.7
365.17447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
58.48096	0.6
65.28115	0.7
67.05484	2.1
69.03419	1.4
69.07046	1.2
69.54990	4.7
70.05476	0.7
70.06582	1.0
72.08135	2.0
73.08453	0.7
81.07034	2.0
85.02866	1.1
86.09716	0.7
91.05487	0.8
93.07043	1.4
94.06616	0.7
95.04974	1.5
95.08588	1.4
96.04465	1.0
97.06502	1.0
105.07040	1.2
119.08582	0.8
120.04444	1.2
122.06007	2.8
124.03925	0.7
132.04453	0.8
133.10114	0.9
134.05984	1.2
136.06169	2.9
137.06563	1.8
138.05463	2.7
140.07083	1.3
144.07985	0.7
146.05994	0.7
146.09645	0.7
147.09177	1.0
148.03894	2.1
148.07555	6.4
160.07632	1.3
162.09215	0.7
164.07024	1.1
166.05016	3.7
168.06580	2.2
170.09602	1.1
171.09160	2.1
172.07600	3.7
174.09137	3.2
175.08691	5.5
176.07059	10.1
176.09445	1.5
178.08635	0.9
185.07086	2.0
185.10754	1.2
186.05508	1.7
186.09122	1.7
189.06578	1.5
189.10345	3.5
190.08652	2.4
194.04526	1.1
196.07570	1.3
198.07704	1.9
198.09297	1.4
199.08701	10.1
200.07062	4.7
200.08844	1.1
201.10190	1.1
202.07164	1.6
202.08792	1.6
203.08154	20.1
204.06544	1.9
204.08385	0.9
206.08171	0.9
207.11368	1.4
213.06577	1.0
213.10220	7.4
214.08635	3.1
215.08128	0.8
216.10184	2.3
217.06178	0.9
217.09782	17.2
218.08189	1.8
218.10217	0.8
219.11362	0.9
223.08650	1.2
224.07118	2.2
227.08159	17.0
228.06581	2.4
228.08675	1.4
229.09727	2.2
231.11256	1.9
232.08510	0.7
235.10815	5.5
241.09737	14.1
242.08110	6.5
243.11290	1.3
245.09238	47.8
246.09592	1.8
247.10760	2.8
250.07092	1.1
259.06845	0.7
259.08063	1.1
259.10794	12.4
260.11551	0.8
263.10281	27.2
269.09171	5.2
270.07590	0.9
273.08664	4.6
277.11801	2.1
287.10269	26.2
289.11954	1.9
291.09753	9.9
297.08685	1.6
301.18317	0.8
305.11313	92.0
306.11716	3.1
315.09729	4.0
323.12369	27.6
333.10812	25.1
347.12399	1.7
348.24979	0.9
365.13440	100.0
366.13867	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	365.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
53.20558	1.9
55.01870	2.5
55.04616	1.9
56.96572	12.7
57.03428	2.6
61.02917	3.4
61.43350	1.9
69.03423	8.8
69.07069	28.1
69.80315	9.0
69.80733	3.3
70.06596	8.0
77.55413	1.8
81.03406	3.1
84.04504	3.2
84.08158	5.5
85.02911	18.5
85.07669	5.8
86.09661	2.7
96.99393	1.8
97.02888	8.0
97.06544	3.4
98.20853	3.5
98.97597	9.1
99.04465	2.4
112.07621	6.1
116.98637	10.4
120.08113	4.4
128.98604	3.4
134.99661	9.9
137.05983	3.5
140.07056	44.8
140.60854	2.1
145.04904	3.7
146.99640	7.1
161.01108	3.0
165.54558	2.0
168.06570	100.0
170.05779	2.5
170.99619	2.4
177.00783	4.7
182.24110	1.7
185.04276	11.8
185.05647	1.9
186.05949	3.8
186.07613	33.2
203.05289	23.8
209.01147	2.1
213.04385	2.8
234.99037	3.9
237.02843	9.3
239.02280	5.8
255.03850	2.8
257.03278	3.4
260.04431	3.6
268.74997	2.2
323.10190	7.7
347.17590	2.8
365.05612	12.8
365.10568	66.9
383.06570	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	365.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01854	3.3
55.05510	7.3
56.96567	49.1
57.03441	3.5
59.04995	0.9
61.02910	1.6
61.67271	0.6
63.97520	0.8
67.05505	9.7
69.03439	4.1
69.06754	1.0
69.07072	11.7
71.41994	1.1
71.95270	3.7
72.96032	0.9
73.02892	1.0
74.97623	1.5
79.05077	1.1
79.05495	10.9
81.03404	2.4
81.07066	8.3
83.04961	1.0
83.08612	4.7
84.88116	0.7
84.95991	0.9
85.02869	1.0
91.05483	7.8
93.07045	7.0
95.04952	2.8
95.08607	6.8
97.02889	4.6
97.06517	2.6
97.10175	3.7
97.96823	0.9
98.97579	0.8
103.00675	1.0
105.07040	6.1
107.04933	3.2
107.08601	6.1
109.06541	1.7
109.10131	3.1
110.97578	1.8
111.08176	0.7
115.00671	2.7
116.98555	0.8
117.06981	2.7
119.08597	5.3
121.01778	1.5
121.10115	2.8
123.01171	1.6
123.08022	1.7
123.11697	1.1
125.09614	3.1
127.00678	1.3
128.98610	3.5
129.06967	1.2
131.00093	0.8
131.08575	4.1
133.01709	3.4
133.06447	1.3
133.10103	3.1
134.99643	0.8
135.08014	2.8
135.11662	1.3
137.02686	1.3
137.09584	1.3
139.00668	1.4
141.02243	1.7
143.00124	1.0
143.08533	2.2
145.01746	1.5
145.10158	3.6
145.58945	0.8
146.99652	3.7
147.03270	1.7
147.08015	1.8
147.11671	2.4
149.09610	1.4
149.13280	1.0
151.11143	1.5
153.02132	1.2
155.03790	2.8
157.01683	0.7
157.10110	1.7
159.03285	2.6
159.04556	0.9
159.11696	1.7
161.01233	1.4
161.09650	1.8
161.13292	1.0
165.00656	1.0
165.09096	1.0
167.03752	2.1
169.01761	1.4
169.05379	1.7
171.03268	5.4
173.04854	3.2
173.99940	0.9
175.02765	1.6
175.11172	1.1
179.03839	1.5
181.05334	1.5
182.86055	0.7
183.03273	2.0
183.06947	1.7
185.01146	0.7
185.04837	2.7
185.13184	1.2
187.02727	2.2
187.06522	1.0
189.04349	10.2
189.05907	1.3
189.11209	2.1
191.05887	1.8
193.03833	1.2
193.12125	0.8
195.03261	0.9
197.04889	3.8
199.02742	1.1
199.06412	14.3
201.04294	3.3
201.08006	1.2
203.05879	5.4
205.05434	1.1
205.07378	1.3
205.12279	1.1
207.06993	1.2
209.04768	1.6
210.30168	0.8
211.02820	0.8
211.06409	3.3
213.07893	5.5
215.05852	3.4
217.05644	1.3
217.07472	30.6
219.09081	1.5
221.06888	1.1
222.08046	0.8
223.06441	7.3
223.13315	6.5
225.04257	1.0
225.07957	1.4
227.05920	3.7
229.07501	7.9
231.09007	8.8
235.06314	2.4
235.08459	1.9
237.07930	3.1
240.09088	1.3
241.07472	33.8
243.09010	2.6
245.06900	2.4
245.18924	1.3
247.08488	5.5
251.09477	2.3
253.07460	10.8
255.09055	12.6
259.08542	69.0
260.09073	1.1
261.10062	2.5
264.09015	2.0
267.08957	2.3
269.10669	6.1
271.08530	10.1
273.10129	9.4
273.18600	4.6
276.08905	0.8
277.09589	14.6
278.10544	1.1
282.10269	5.6
285.10071	4.1
287.11465	3.9
289.09555	1.3
291.19550	22.8
295.12180	1.0
319.15814	1.4
329.14151	6.5
337.16934	1.3
347.15298	55.2
348.15546	1.2
365.16238	100.0
365.22885	11.0
366.16690	3.1
368.85129	0.8
370.17007	1.8
383.17426	33.6
388.17932	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	365.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01857	2.0
55.05518	8.4
56.96568	56.8
57.03423	3.8
57.78761	0.7
61.02917	1.1
64.24626	0.8
67.05208	1.0
67.05510	11.9
69.03409	3.8
69.07079	11.4
71.34222	2.2
71.95249	3.9
72.96047	1.5
74.97614	1.1
77.80137	0.8
79.05498	11.0
81.03387	2.6
81.06667	0.9
81.07057	9.8
83.04956	2.6
83.08585	2.8
84.96017	1.4
85.02888	1.2
85.06510	1.4
91.05480	8.6
93.07050	7.2
95.04961	2.9
95.08619	5.6
97.02885	3.9
97.06525	2.9
97.10152	3.8
97.96809	1.4
98.97565	1.8
103.00710	1.9
103.62864	0.9
105.07056	6.1
107.04940	2.9
107.08585	5.6
109.06490	1.8
109.10144	3.9
110.97540	2.2
111.04455	1.0
111.08034	1.0
115.00616	2.2
115.05369	0.9
116.98563	1.7
117.06986	2.7
119.01752	0.9
119.08591	5.2
121.01740	1.8
121.06497	1.2
121.10114	3.0
123.01148	1.1
123.08046	1.9
123.11657	1.0
125.09593	3.0
128.06151	1.3
128.98582	3.2
131.00127	1.1
131.08580	4.4
133.01685	3.8
133.06470	1.4
133.10132	5.0
135.07985	2.2
135.11633	1.7
135.14401	0.8
137.02757	1.3
137.09608	1.4
141.02219	2.2
143.08549	1.8
145.01730	1.9
145.10133	3.1
146.99629	3.6
147.03285	1.4
147.08035	2.1
147.11679	1.0
149.09605	2.2
151.04280	1.1
151.11151	2.1
151.86905	1.0
153.02170	1.4
155.03773	1.7
159.03278	2.2
159.11673	1.8
161.01247	1.9
161.04781	1.4
161.09558	2.1
163.02731	1.1
165.00806	1.2
167.03764	1.8
169.01668	2.0
169.05339	2.3
171.03279	7.9
173.04848	2.4
174.99051	1.0
175.02771	2.0
175.11176	1.5
177.04303	1.6
181.05333	1.9
183.03288	2.5
183.06927	1.4
183.11746	1.0
185.04822	4.2
187.02791	1.6
187.06410	1.5
189.04355	9.7
191.05643	1.0
193.03857	1.6
193.12227	1.1
195.06921	2.2
195.11800	1.4
197.04893	4.2
199.06416	17.7
200.00079	1.0
201.04282	2.8
201.08090	2.1
203.05922	5.9
205.05350	1.7
205.07324	1.1
207.05319	1.9
209.04942	1.1
211.02719	1.0
211.06366	1.8
213.04211	1.4
213.07990	4.5
215.05928	3.8
217.05637	1.1
217.07480	31.8
219.09009	2.2
223.06425	8.1
223.13193	4.8
227.05890	2.2
229.07469	7.5
231.09041	8.5
235.06450	1.9
235.08446	2.2
237.07944	2.0
241.07487	32.8
243.09027	3.5
245.06932	2.0
245.10736	1.2
245.18970	1.5
247.08475	7.6
251.09486	1.1
253.07469	12.0
255.08989	10.0
255.17439	1.4
259.08548	72.1
261.10092	2.4
264.09119	2.5
267.09094	3.3
269.10583	8.9
271.08527	11.3
271.95102	0.9
273.10031	10.3
273.18481	5.8
277.09598	17.9
282.10205	6.8
285.10071	3.8
287.11673	6.0
289.09561	2.3
291.19562	23.5
311.71103	1.3
319.15637	1.8
321.17792	1.4
329.14291	7.7
337.16754	1.5
347.15302	58.8
348.15378	2.0
365.16290	100.0
365.23114	8.8
366.16681	1.7
370.16928	1.3
383.17426	35.5
388.17935	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	365.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05511	2.7
56.96571	2.3
57.03445	2.4
59.04981	0.4
61.02913	1.2
65.03925	0.6
67.05511	4.8
69.03442	2.7
69.07068	2.8
70.62969	1.4
71.04977	1.0
72.16994	0.4
73.02912	0.6
79.05492	4.3
81.03407	3.3
81.06607	0.7
81.07056	7.0
83.04980	1.8
83.08617	1.5
84.09394	0.4
85.02915	2.7
85.06512	0.9
87.04485	0.6
91.03967	0.9
91.05488	4.2
93.07046	4.1
95.04966	1.7
95.08621	6.1
97.02882	1.9
97.06548	2.4
97.10158	1.1
98.97557	0.7
99.04446	0.7
101.06034	0.5
105.07037	4.4
105.92995	0.4
107.04961	1.5
107.08614	3.6
109.06541	2.5
109.10173	2.8
111.08096	0.8
117.07005	1.4
119.08590	4.2
121.06543	0.7
121.10157	2.8
123.08094	1.3
123.11700	1.2
125.09656	1.0
127.03908	0.5
129.07022	1.0
131.04852	0.5
131.08562	2.2
133.06612	0.5
133.10136	2.3
135.04468	0.6
135.08078	1.9
135.11702	0.6
137.09636	1.1
141.07016	0.7
143.08557	1.5
145.10191	2.1
147.08064	1.3
147.11717	1.8
149.09608	1.5
149.13307	0.6
151.07524	0.6
155.08522	0.7
157.10135	2.0
159.11702	2.2
161.09685	0.8
161.13329	1.1
163.11180	0.8
169.10117	1.0
171.11740	1.5
173.09560	0.6
173.13234	1.3
175.11179	1.0
175.14870	0.6
181.10136	0.5
185.13234	0.8
187.14850	0.5
189.12761	0.5
191.10762	0.7
193.12241	1.1
203.05702	0.6
211.13225	0.9
213.16338	0.6
217.15941	0.7
231.04704	0.4
241.07375	0.9
243.08846	0.6
245.19089	0.6
257.14999	0.5
259.08615	1.3
259.76001	0.5
267.08978	2.7
267.16031	0.5
273.18463	2.2
275.15848	0.6
279.11926	0.7
285.10114	9.3
285.13025	0.5
291.19553	0.9
303.11191	1.0
347.18332	1.2
347.22171	0.7
365.19354	100.0
365.22784	4.3
366.19736	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	365.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01867	5.6
55.05514	26.1
56.96566	10.8
57.03436	10.5
65.52841	0.9
67.05508	33.5
69.03432	12.3
69.07070	39.0
71.04987	1.4
71.08630	0.9
71.37786	2.0
72.93800	1.2
75.20159	1.1
78.04335	1.0
79.05495	26.7
79.60947	1.0
81.03419	6.3
81.06599	1.9
81.07059	24.3
83.04984	4.0
83.08626	7.5
85.02917	1.5
85.06557	1.6
86.09745	0.9
91.05480	16.9
93.07047	18.9
93.15283	1.0
95.04967	8.4
95.08605	12.7
97.02894	14.4
97.06512	4.7
97.10173	14.8
102.32205	1.0
102.90845	0.9
105.07034	12.1
107.04960	6.7
107.08590	14.9
109.06522	4.4
109.10162	10.6
111.04455	1.4
111.08076	1.6
111.87550	0.9
117.07041	7.5
119.08584	11.5
121.06518	3.1
121.10153	4.6
123.04484	1.0
123.08076	4.2
123.11776	1.2
125.09629	11.8
129.06982	3.4
131.08557	6.1
133.06461	1.9
133.10170	7.1
135.08037	5.7
135.11723	1.9
137.09625	4.0
143.04843	1.2
143.08588	2.9
145.10088	5.1
147.08026	6.0
147.11691	3.8
149.09634	2.4
149.13295	1.8
157.10117	2.9
159.11710	3.6
161.09642	3.8
161.13397	1.2
163.11215	1.4
165.09151	3.5
167.08553	1.2
169.10156	2.0
171.11774	2.1
173.11775	1.5
175.11209	2.7
177.00946	1.0
177.12755	1.6
179.10730	1.1
183.11731	2.0
185.13380	1.8
187.11275	1.8
189.04234	1.2
189.11189	8.7
192.66426	0.9
195.13818	1.5
199.06474	4.5
201.08012	2.0
205.12309	3.3
209.13226	1.1
211.06413	2.2
211.14928	1.4
217.07484	9.7
217.16061	1.2
219.09021	1.3
223.13277	26.2
225.16531	1.4
227.12874	1.2
229.07486	27.5
229.09729	1.6
231.10744	1.6
237.16327	1.7
241.07567	3.4
245.04695	1.0
247.08533	35.1
248.09001	2.3
252.09103	3.2
255.17491	1.5
259.08533	7.1
263.20206	1.9
270.10095	1.8
273.18488	16.1
277.09592	2.0
284.12802	4.1
284.62888	1.7
285.10193	2.7
291.19547	84.8
292.20001	2.8
347.22171	1.9
365.10391	2.3
365.15402	3.3
365.23126	100.0
365.28003	3.3
366.23337	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	365.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01849	0.7
55.05492	1.3
56.96556	0.8
57.03422	1.2
64.13210	0.4
67.05513	3.4
69.03419	0.5
69.07059	1.2
69.95547	1.0
69.95966	1.0
70.79098	0.4
70.88621	0.3
79.05495	2.7
81.03396	0.4
81.07053	3.7
83.04958	1.1
83.08595	0.4
85.02917	0.5
88.43747	0.3
91.05489	2.6
93.07044	2.4
95.04959	1.1
95.08619	1.1
97.02884	0.4
97.10198	0.4
97.79498	0.3
98.97521	0.4
105.07066	1.7
107.04949	0.5
107.08587	1.4
109.06512	1.3
109.10143	1.4
111.04440	0.7
111.08003	0.5
117.07053	0.7
119.08564	1.2
121.10128	1.1
122.94792	0.3
123.07999	0.4
123.11628	0.4
131.08542	1.3
133.06476	0.5
133.10135	1.6
135.08105	0.4
135.11708	0.8
145.10123	0.6
149.09613	0.7
151.11217	0.8
157.10120	0.4
161.09558	0.5
163.11192	0.4
195.04967	0.4
195.09966	0.6
204.79518	0.3
249.14711	0.8
253.14574	0.6
259.08551	0.4
262.30536	0.4
263.20041	0.5
267.14462	0.9
273.18448	1.7
284.12619	0.5
285.10156	0.9
285.15427	0.7
291.19537	1.2
295.15155	0.6
333.19360	0.5
347.21753	0.7
365.22989	100.0
366.23355	3.7
383.22998	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
54.61264	1.1
55.01863	7.0
55.05252	1.8
55.05512	32.7
56.96550	3.7
57.03430	9.9
57.07049	1.2
59.04985	1.9
65.03929	1.6
67.05148	2.1
67.05504	37.4
69.03427	14.1
69.07067	43.7
71.04976	2.2
71.07745	1.2
71.08090	2.7
72.93762	1.6
79.05490	30.6
81.03442	7.2
81.06601	2.0
81.07056	26.0
83.04979	6.1
83.08630	10.1
85.06484	1.7
91.05479	17.8
93.06499	1.8
93.07043	22.2
93.39549	1.2
95.04945	9.3
95.08599	12.6
97.02906	13.5
97.06525	4.7
97.10167	16.7
105.07030	12.9
107.04967	7.5
107.08598	14.8
109.06483	4.0
109.10152	11.4
111.04411	1.6
111.08040	1.7
115.05432	1.1
117.07016	5.8
119.08580	10.2
121.06516	2.7
121.10144	4.9
123.08079	3.1
123.11650	1.9
125.09633	16.0
129.06972	2.7
131.08554	6.6
133.06471	1.8
133.10144	7.5
135.08047	4.5
135.11671	2.3
137.05966	6.6
137.09608	2.4
143.08556	3.3
145.10110	5.9
147.08038	4.6
147.11671	4.7
149.09602	2.6
149.13231	2.9
151.11127	1.5
157.10132	3.3
159.07982	1.2
159.11667	2.2
160.03886	1.4
161.09654	2.6
163.11185	2.4
165.09114	3.6
169.10146	1.5
171.11659	1.6
173.11774	2.5
173.13319	1.9
175.11238	2.8
189.11249	7.6
195.13893	1.5
203.05835	1.3
205.12231	3.2
217.07437	1.3
223.13274	33.3
235.13373	1.2
245.19119	1.4
271.06073	1.3
273.18539	12.5
279.97461	1.1
285.10129	2.4
291.19537	100.0
347.12915	1.4
365.19345	3.5
365.23178	48.9
383.17487	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24629	2.0
53.03940	2.6
55.01879	13.4
55.05511	36.0
56.96567	9.1
57.03437	15.2
57.07061	3.8
60.84904	1.9
64.39734	1.9
65.03935	3.7
66.96494	1.7
67.05508	57.5
69.03435	16.5
69.07067	46.7
71.04977	5.7
71.08041	3.8
71.08611	2.3
74.45235	1.7
79.05493	41.4
81.03422	10.3
81.07055	44.6
83.04969	8.0
83.08182	2.1
83.08617	11.8
85.06508	3.2
91.05479	35.2
93.06514	2.3
93.07050	34.9
95.04982	17.0
95.08611	20.3
97.02914	14.6
97.06499	9.0
97.10167	19.9
105.07025	33.9
107.04964	12.1
107.08595	27.5
108.08937	2.1
109.06499	8.2
109.10139	22.0
111.04437	3.0
111.08067	6.4
115.05436	2.3
117.07018	12.5
119.08571	20.2
121.06481	6.5
121.10152	13.7
123.08057	7.5
123.11686	3.6
124.60077	2.0
125.09641	13.1
129.01152	1.8
129.06993	8.6
131.08574	12.9
133.06483	7.1
133.10129	21.2
135.08055	14.4
135.11653	5.5
137.09599	7.0
143.08548	7.7
145.10115	12.5
147.08020	8.3
147.11693	6.4
149.09673	9.2
149.13177	2.8
151.11176	7.9
153.12732	1.9
157.10135	6.6
159.08008	4.0
159.11656	7.5
161.09607	6.0
161.13217	3.0
165.09120	3.7
169.10168	2.6
171.10257	2.2
171.11694	3.5
173.13095	1.8
175.11176	5.0
177.09148	4.0
177.12735	2.0
178.41135	1.9
179.08388	2.1
181.10101	2.8
183.11620	3.0
185.04166	2.0
185.13208	2.5
189.11180	7.9
195.11682	3.0
195.13731	2.8
203.05330	2.0
205.12177	2.3
223.13239	30.1
223.15196	2.7
227.12892	2.6
245.18987	5.2
253.14357	4.4
255.17416	2.9
263.20105	4.3
269.28372	2.0
273.18494	29.9
285.10034	3.3
291.19537	100.0
292.20117	2.4
347.22147	2.6
347.25903	3.6
365.23160	76.0
365.27023	14.9
366.23416	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27552	3.2
53.03942	10.5
55.01871	19.1
55.05510	39.6
56.96554	10.5
57.03446	26.5
57.07069	13.8
59.05000	45.1
65.03949	8.5
67.05507	88.6
69.03419	8.7
69.07070	30.8
71.04996	7.0
71.50220	7.6
79.05489	75.3
81.03412	13.4
81.07054	100.0
83.04979	30.9
83.08627	11.0
85.06547	14.5
91.05487	87.7
93.07040	80.0
95.04962	29.5
95.08590	42.8
97.06531	18.6
97.10170	7.0
103.05454	4.7
105.07035	80.9
107.04955	16.8
107.08601	63.6
109.06509	17.8
109.10154	52.1
111.04445	7.9
111.08058	9.5
115.11179	5.0
117.07006	15.1
119.08582	29.2
121.06532	15.6
121.10142	27.8
123.04392	6.5
123.08089	12.3
123.11733	13.4
125.06074	3.9
125.09620	4.5
128.06274	5.5
129.07034	9.3
131.08566	32.8
133.06516	16.6
133.10132	93.0
135.08076	23.6
135.11711	12.8
139.07555	5.5
143.08583	12.4
145.10100	18.5
147.08011	7.6
147.11679	11.6
149.09625	22.0
151.11189	46.7
156.56984	3.5
157.10109	12.8
159.07997	4.0
159.11670	10.3
161.09624	17.3
161.13217	7.2
163.11162	4.6
163.65201	4.2
169.10066	6.1
169.12276	12.6
171.11707	9.4
173.09654	6.4
175.11157	6.5
177.09099	10.3
179.10651	6.1
181.10208	6.4
185.09428	3.9
185.13211	5.2
189.12863	4.3
195.11734	5.0
203.05217	6.2
203.14398	3.7
211.14803	4.5
217.12282	5.9
227.18073	4.7
231.10727	4.0
237.16309	4.1
245.19034	14.8
253.14342	34.7
255.17386	10.5
263.20096	15.8
269.13855	7.3
273.18573	43.6
282.22577	4.8
291.19601	31.3
347.22531	5.1
365.10498	9.7
365.15103	14.8
365.23126	99.9
365.27838	3.7
380.46518	4.2
383.17178	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	365.2322
Annotation	11beta,17alpha,21-Trihydroxypregnenolone
Peak:m/z	Relative Intensity
53.03939	7.0
55.01865	8.1
55.05517	19.5
57.03436	16.4
57.07087	15.2
59.04999	3.8
61.02913	11.7
61.17735	2.3
67.05510	43.1
69.03435	32.5
69.07066	23.8
70.64917	8.5
70.65274	2.9
71.01357	3.3
71.04996	24.0
73.02912	12.1
75.58524	2.5
79.05487	21.5
81.03414	14.6
81.07054	46.3
81.07494	5.5
83.04970	12.0
83.08614	5.8
83.67800	2.7
85.02900	32.4
85.06531	5.0
87.04441	5.8
89.29066	3.2
91.05478	26.7
93.07049	39.2
95.04959	12.3
95.08610	100.0
97.02892	15.1
97.06520	13.2
99.04458	4.8
99.08080	3.3
103.03933	8.9
105.07027	57.4
107.04922	4.0
107.08600	46.4
109.02875	4.7
109.06493	11.6
109.10167	33.5
111.04427	5.1
111.08051	4.1
115.03938	6.6
117.07015	15.1
119.04959	3.3
119.08571	64.0
121.06508	8.8
121.10143	37.6
123.04422	4.0
123.08063	8.9
123.11702	13.5
125.05884	4.0
125.09615	7.7
127.03916	8.4
127.11179	7.4
128.06183	6.9
129.05476	8.7
129.07024	10.4
131.08583	35.3
133.06456	5.3
133.10144	34.6
135.08040	9.5
135.11700	19.6
137.06058	3.5
137.09599	18.4
137.13258	6.0
139.07532	3.3
142.07710	7.5
143.08588	23.1
143.61559	2.7
145.04999	4.8
145.06467	5.6
145.10123	48.5
147.07993	9.6
147.11678	26.4
149.09621	10.1
149.13272	7.3
151.11182	6.0
155.07115	3.0
155.08559	8.6
156.09351	6.1
157.10136	28.9
159.08058	10.9
159.11707	51.7
161.09599	8.8
161.13278	16.6
163.11176	5.7
165.09157	3.9
167.08496	4.1
169.10117	11.8
170.10860	3.5
171.11688	29.4
173.09616	6.3
173.13202	23.3
175.11203	9.5
175.14784	10.2
177.09125	5.3
177.12762	3.1
177.16327	5.9
179.08492	3.5
181.10149	7.5
183.10262	2.6
183.11642	12.9
185.09531	3.5
185.13249	11.9
186.13870	3.3
187.11221	6.5
187.14778	17.7
189.09166	5.2
189.12737	8.7
189.16368	29.2
191.10648	3.6
191.14235	4.5
195.11731	6.6
197.13277	9.5
199.11229	5.6
199.14865	6.9
201.12672	7.7
201.16422	25.9
202.03008	3.0
203.17894	12.3
207.10025	6.8
207.11732	4.8
209.13293	5.5
211.14864	3.9
213.12779	8.1
213.16359	9.5
215.14204	5.5
215.18004	16.8
217.15685	4.2
219.17473	5.3
223.14738	3.2
225.12726	8.7
227.14381	5.4
227.17926	9.9
229.19511	6.5
231.17456	5.0
239.18001	4.2
241.15765	5.8
241.19504	3.6
243.13785	8.5
243.17390	4.8
245.19080	14.1
255.17526	5.3
257.19049	7.2
259.20572	3.5
261.14764	5.7
269.19064	6.5
273.18597	4.4
275.20065	5.4
279.16016	4.1
287.20035	5.9
299.19980	7.3
301.21552	5.7
303.17847	7.9
311.20007	13.1
329.21072	26.6
347.22180	35.6
365.23245	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.01870	13.5
55.05511	48.8
56.96566	25.3
57.03440	20.7
57.07069	4.1
59.04984	2.9
61.02923	7.0
65.03924	4.1
67.05506	64.3
69.03430	11.0
69.06735	3.2
69.07071	33.0
69.99648	10.8
71.04984	8.9
73.02915	5.6
79.05031	2.8
79.05493	73.1
81.03416	13.2
81.07056	82.9
83.04973	13.6
83.08608	15.0
85.02888	9.8
85.06540	5.2
87.04472	2.5
91.03932	2.4
91.05479	100.0
93.07045	74.6
95.04967	21.4
95.08607	53.9
97.02878	6.7
97.06519	21.0
97.10161	11.2
98.97575	4.6
99.04492	3.0
99.08092	5.0
103.05473	6.1
105.07034	75.0
105.22365	2.2
107.04959	14.2
107.08586	37.0
109.06517	20.7
109.10152	18.0
111.04396	3.2
111.08057	8.7
115.05441	8.5
116.06252	4.8
116.98591	4.6
117.07024	38.3
119.04922	3.9
119.08585	54.0
121.06499	15.1
121.10149	24.0
123.08072	15.6
123.11691	4.2
125.05991	2.5
125.09624	11.7
128.06230	20.1
129.07010	35.0
130.07767	9.3
131.08563	84.9
133.06482	12.7
133.10135	30.9
134.99675	2.9
135.08069	12.4
135.11691	10.9
137.09621	8.9
139.11217	5.4
141.07005	13.4
142.07736	8.6
143.08569	82.8
144.09344	2.3
145.06511	3.2
145.10129	83.3
146.99660	3.5
147.08055	14.8
147.11702	14.5
149.09625	8.9
149.13217	4.7
151.07533	3.0
151.11157	2.6
152.00099	2.7
154.07666	3.2
155.07353	2.5
155.08490	13.6
157.06622	2.7
157.10118	32.9
159.08002	5.9
159.10403	4.0
159.11678	22.4
161.09639	18.7
161.13174	4.8
163.11156	7.8
165.07025	5.2
167.08536	5.9
169.10121	15.5
171.03261	2.4
171.11662	23.5
173.09567	5.1
173.11792	2.7
173.13211	6.1
175.11174	11.1
177.00853	2.7
177.12764	7.2
180.09404	2.8
181.10100	15.2
183.11696	13.1
185.09610	4.0
185.13214	11.0
187.11205	3.9
189.04362	3.3
189.11191	5.1
189.12721	4.5
191.07098	2.9
193.12233	4.6
195.11742	20.1
196.12463	2.7
197.13324	4.3
199.06360	3.2
199.11147	3.2
199.14809	6.5
200.20148	2.2
201.12645	5.0
203.05850	3.6
203.12758	2.5
209.13332	4.9
211.14957	3.4
213.12703	6.3
213.16447	2.5
217.07507	6.7
227.18050	11.1
229.07426	5.2
237.16469	18.0
243.08870	3.2
245.19060	11.2
247.08629	3.2
255.08997	6.1
255.17513	17.7
265.07492	2.9
267.08871	5.1
269.12531	5.5
271.12231	2.6
273.10223	5.7
273.18503	55.1
274.18848	2.5
283.08658	3.4
285.10034	20.7
291.19476	11.2
301.09552	5.2
321.16818	2.7
347.18509	3.7
347.22192	20.7
365.10162	5.0
365.19272	35.8
365.23669	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.01873	6.3
55.05511	29.4
56.96567	51.0
57.03197	1.3
57.03437	13.4
58.50786	1.0
61.02900	3.2
65.03928	2.5
67.05504	35.9
69.03098	1.2
69.03431	12.9
69.07069	40.7
69.57366	4.6
69.57787	3.1
71.05007	2.8
71.95248	4.3
72.96021	1.4
73.02896	1.7
74.97630	1.9
79.05496	36.0
81.03423	6.6
81.07060	30.5
83.05000	7.5
83.08623	9.5
85.02882	3.8
85.06505	1.2
91.03939	1.9
91.05484	26.0
93.06504	1.9
93.07043	26.4
95.04962	10.2
95.08608	16.8
97.02899	15.1
97.06519	5.1
97.10164	18.6
98.21532	1.3
103.05458	1.2
105.07031	19.4
107.04959	9.4
107.08595	17.1
109.02843	1.4
109.06519	7.1
109.10156	11.5
110.97629	1.9
111.04433	1.5
111.08067	3.5
112.27737	1.2
115.00672	3.4
115.05442	3.1
116.06201	1.5
116.98617	2.9
117.07024	12.9
119.08584	15.3
121.01725	1.3
121.06476	3.0
121.10155	8.6
123.08084	5.8
123.11676	2.1
125.09623	15.2
128.06180	3.4
128.98584	3.0
129.07008	6.7
130.07780	2.5
131.08565	16.8
133.01747	2.6
133.06470	4.9
133.10123	8.9
135.08029	6.8
135.11685	3.6
137.09604	4.6
141.06964	3.6
141.24422	1.1
142.07813	2.6
143.08553	14.1
145.01733	1.2
145.06523	1.3
145.10121	16.9
146.99649	4.6
147.03279	1.6
147.08058	7.4
147.11707	5.7
149.01224	1.3
149.09576	3.2
149.13217	2.2
155.03831	2.4
155.08522	2.0
157.01723	1.8
157.10123	6.3
159.03264	1.3
159.11702	5.3
161.09601	4.0
161.13219	2.4
163.11156	2.7
165.00716	2.0
165.02068	1.5
165.09085	2.3
167.03690	1.5
169.01733	2.0
169.05315	1.7
169.10124	4.3
171.03290	7.0
171.10294	1.9
171.11674	4.9
173.04860	3.5
173.09663	1.6
173.11725	2.4
173.13225	2.1
175.11191	3.7
177.12726	3.4
179.08458	1.2
179.10674	1.4
181.05339	1.7
181.10077	2.9
183.03253	2.4
183.11682	1.7
185.04840	3.7
185.13225	3.0
187.06404	2.0
187.14867	1.1
189.04324	7.9
189.11215	5.9
189.12598	1.4
191.05893	2.8
193.03851	1.9
193.12169	2.8
194.38020	1.1
195.11652	3.5
195.13625	1.6
197.04822	3.5
199.06407	12.2
200.06598	1.6
201.04375	3.0
201.07927	1.7
203.05934	5.6
205.12201	2.9
207.05429	1.8
209.04761	1.2
211.02722	1.4
211.06419	2.7
213.07957	3.5
213.12941	1.3
215.05902	3.1
217.05405	2.1
217.07486	30.1
217.15823	1.5
218.07857	1.5
219.06979	1.8
219.08990	2.3
223.06384	7.0
223.13271	25.3
223.64365	1.1
227.05827	3.2
227.17955	2.7
229.07526	7.5
231.09058	8.7
235.06291	1.8
235.08469	1.6
237.07915	2.2
237.16336	3.6
240.06825	1.5
241.07454	33.3
243.08977	3.6
245.06979	2.7
245.18985	3.9
247.08556	8.8
249.08008	1.5
251.09552	1.6
253.07411	9.1
255.09070	10.4
255.17354	4.9
259.08545	60.1
260.08835	2.0
261.10159	1.7
263.20016	1.9
267.08905	1.7
268.40164	1.2
269.10547	3.7
271.08475	8.5
272.09042	1.3
273.10181	10.5
273.18503	20.4
276.08807	1.4
277.09634	14.4
282.07437	2.4
282.10419	5.5
283.08505	1.6
284.13382	1.8
285.10089	4.3
289.09402	2.1
291.19531	100.0
292.19809	1.7
300.11063	1.6
319.15897	6.7
329.14191	6.9
337.16830	4.3
347.15298	55.0
347.22137	3.5
348.15680	3.9
349.18417	1.4
355.33975	1.2
365.16312	83.3
365.23257	38.3
366.16562	5.7
370.16901	1.5
383.17410	28.3
384.17862	2.0
388.18103	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01876	7.4
55.05514	15.4
56.96566	35.8
57.03437	47.9
57.07071	3.3
61.02914	5.7
65.03938	5.5
67.05506	57.7
69.03436	6.8
69.07072	20.0
69.31952	12.6
71.04991	6.4
71.95273	3.2
73.02901	3.5
79.05492	35.1
79.05930	2.9
80.10969	1.4
81.03426	6.2
81.07057	33.8
83.04977	8.0
83.08617	5.5
84.96001	2.1
85.02885	7.6
85.06549	38.7
86.09695	2.2
91.03967	2.6
91.05485	30.9
91.87186	1.3
93.07046	35.6
95.04967	59.9
95.05582	3.1
95.08604	21.6
97.02885	6.9
97.06543	8.6
97.10176	4.4
98.97563	8.2
99.04449	3.0
99.08081	1.3
105.07035	23.4
107.04947	10.4
107.08588	23.1
109.06521	53.6
109.10165	11.6
111.08083	3.2
113.06009	100.0
115.05439	3.0
116.98626	8.2
117.07040	13.2
119.08579	17.6
121.06521	6.5
121.10148	12.8
123.04448	1.6
123.08094	6.0
123.11707	2.9
125.06003	1.5
125.09644	5.4
127.07536	3.5
128.06229	2.5
128.98605	2.9
129.07027	6.2
130.07825	1.5
131.00171	3.8
131.08565	13.4
133.06480	4.1
133.10152	13.0
134.99660	4.2
135.08058	37.4
135.11671	13.0
137.02722	1.3
137.09607	2.5
138.05513	4.6
141.07018	2.7
143.00121	2.1
143.08569	6.2
145.06517	1.8
145.10123	12.7
146.99649	3.3
147.03160	1.7
147.08046	6.4
147.11720	6.8
149.01245	7.1
149.09636	6.1
149.13232	3.5
155.03809	1.8
155.08516	1.8
157.10149	10.9
158.99715	3.0
159.08096	2.2
159.11685	8.4
161.01268	1.8
161.09627	9.7
161.13184	3.2
163.11172	4.8
165.09097	1.9
167.02299	2.9
169.10178	2.4
171.11734	4.5
173.09637	2.5
173.13284	6.3
175.02769	1.5
175.11230	3.8
177.00731	4.7
177.12733	4.3
183.11720	1.9
185.01367	1.5
185.04871	1.7
185.09650	1.6
185.13339	2.0
187.02895	1.7
187.06407	2.9
189.00671	3.4
189.04492	1.8
189.11250	2.8
189.12791	1.8
190.52988	1.5
193.12256	3.0
195.01674	2.0
195.11662	3.2
195.13644	1.9
199.06387	6.9
199.11179	2.6
199.14885	3.9
201.00688	1.9
201.04279	1.5
201.07962	2.5
203.02258	2.6
203.05898	3.1
205.08310	2.4
213.08093	3.6
215.06065	1.8
217.03804	1.4
217.07463	10.5
217.15837	14.1
219.13847	2.1
223.13240	2.6
225.07991	1.4
227.17923	1.9
229.07442	3.8
231.09074	4.7
233.15259	1.8
237.16319	1.5
239.09654	1.6
243.08900	2.4
245.06953	1.7
245.18982	3.7
247.08620	1.9
255.09021	6.6
255.17644	3.7
257.06976	2.4
259.08572	1.7
263.12631	3.0
267.09100	3.6
269.10550	16.4
273.10156	6.4
273.18494	25.9
277.21707	4.9
284.09784	1.6
284.12704	7.5
284.62854	2.2
285.10107	10.1
287.11710	9.7
291.19568	41.2
292.12155	2.6
301.09528	4.5
311.06503	3.7
319.15564	2.8
321.04971	2.9
347.15494	2.1
357.15604	2.0
365.10144	3.5
365.15634	2.6
365.19461	9.6
365.23416	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79823	2.2
53.03941	6.8
54.27497	2.6
55.01870	10.7
55.05513	26.2
56.96565	5.2
57.03445	18.7
57.07079	4.5
59.05002	3.6
61.02921	13.2
65.03939	3.4
67.05506	44.6
69.03431	29.1
69.07063	22.4
69.51337	22.3
70.60620	2.3
71.01356	3.9
71.04990	26.3
73.02917	9.9
79.05494	27.9
81.03416	11.9
81.07056	63.5
83.04997	13.2
83.08628	8.8
84.08123	3.2
85.02901	35.4
85.06591	6.0
87.04482	4.4
91.05477	33.8
93.07053	46.8
95.04971	14.8
95.08607	100.0
97.02890	16.3
97.06521	16.7
97.10160	5.1
99.04443	6.6
99.08131	4.2
103.03941	8.5
105.07029	55.0
107.04955	9.7
107.08585	45.9
109.02893	3.6
109.06523	11.2
109.10170	32.4
111.04462	9.2
111.08074	6.7
113.05997	3.0
115.03935	5.2
115.05434	3.7
117.07022	13.8
119.08582	62.5
121.06516	9.9
121.10147	32.0
123.08078	12.5
123.11700	19.0
125.06039	3.7
125.09621	5.4
127.03907	4.8
127.11203	12.9
128.06192	4.0
129.05469	7.2
129.07040	9.4
130.06633	3.3
130.07753	4.4
131.08562	34.9
133.06528	6.6
133.10124	41.7
135.08046	13.1
135.11703	20.4
137.09590	19.9
138.05414	3.7
141.07037	4.8
142.07797	7.7
143.08554	23.6
144.09354	4.0
145.06514	6.5
145.10104	45.1
147.08070	15.7
147.11687	30.6
149.09639	12.3
149.13269	9.7
151.11180	10.3
153.06987	2.8
155.08569	10.3
156.09341	8.0
157.10127	34.8
158.10919	4.4
159.06558	3.8
159.08051	9.8
159.11694	55.9
161.09634	10.5
161.13287	17.3
163.11208	5.2
163.14900	3.5
165.06995	3.7
165.09103	3.5
167.08548	3.5
169.10109	11.7
171.08089	6.8
171.10274	4.7
171.11690	29.6
171.95250	2.4
172.12399	2.8
173.09619	7.8
173.13266	19.4
175.11244	10.1
175.14864	6.3
177.12756	4.4
177.16321	3.5
179.08537	4.5
181.10020	4.6
183.11679	10.8
185.09677	4.5
185.13257	14.4
187.11177	11.8
187.14760	17.1
189.09116	3.9
189.11157	6.3
189.12772	8.9
189.16376	27.2
193.12210	3.5
195.10094	4.3
195.11754	8.2
197.13268	10.2
199.11198	5.4
199.14812	7.2
201.12712	9.7
201.16357	27.1
203.10635	3.9
203.14374	5.1
203.17917	15.3
205.12311	3.2
207.11745	6.0
211.15071	3.6
213.12868	7.2
213.16374	10.7
215.12488	4.3
215.14365	3.3
215.17902	19.5
217.12320	3.5
217.16145	3.6
217.19658	3.3
223.14774	4.6
225.12878	7.0
225.16373	5.4
227.14323	6.4
227.17941	9.3
229.19473	6.8
231.17523	11.0
233.13585	5.7
233.19087	4.1
239.17957	4.6
241.15926	5.9
243.13895	7.4
243.17471	6.5
245.15306	3.7
245.19000	12.2
253.14249	5.7
255.17531	3.0
257.19089	5.4
261.15100	5.5
261.18619	3.4
269.18961	6.3
273.18539	11.6
275.20297	2.8
285.10123	3.4
287.20071	6.3
291.19455	3.4
299.20093	7.3
303.17938	10.0
311.19998	13.4
317.20932	4.9
329.21060	24.0
342.58057	2.8
347.22232	32.0
365.14127	12.6
365.19391	12.4
365.23309	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.6
55.01875	11.2
55.05515	19.7
56.96580	4.7
57.03449	14.5
57.07072	8.2
59.05011	5.0
61.02929	17.1
67.05513	30.3
69.03434	34.3
69.07071	26.5
70.06596	4.0
70.11607	7.2
70.12003	6.0
71.01356	4.8
71.04996	31.2
73.02902	12.7
77.03931	2.8
79.05495	28.3
81.03421	17.4
81.07056	55.2
83.04994	13.2
83.08635	9.5
84.08184	3.1
85.02911	42.4
85.06565	8.0
87.04489	7.1
88.72511	2.4
91.03911	2.4
91.05484	36.9
91.06022	2.4
93.07047	40.8
95.04993	17.3
95.08604	61.3
95.09188	4.3
97.02905	22.1
97.06512	17.6
97.10165	5.5
99.04472	9.4
99.08123	5.8
103.03983	7.6
105.07036	64.6
105.07700	4.5
107.04962	12.7
107.08598	48.0
109.02905	5.5
109.06520	15.1
109.10149	41.6
111.04462	9.5
111.08118	8.7
111.11746	3.4
115.03962	5.2
115.05470	3.7
116.83336	2.7
117.07026	20.8
119.04981	9.3
119.08582	68.5
119.09397	4.5
120.17623	2.5
121.06512	12.3
121.10141	34.4
123.08105	13.9
123.11702	14.3
125.06020	4.5
125.09662	9.8
127.03936	4.3
127.07587	3.1
127.11245	9.8
128.06259	8.1
129.05530	7.2
129.06984	13.4
130.07858	3.0
131.08582	36.7
133.06528	9.1
133.10132	42.6
135.08061	15.3
135.11684	19.8
137.09584	12.7
137.13339	3.6
141.05524	3.6
141.06984	4.8
142.07811	11.4
143.08574	28.2
143.10715	6.5
144.09366	4.9
145.05058	2.7
145.06482	5.9
145.10120	54.2
145.11150	3.7
147.08063	13.5
147.11693	35.3
149.09586	16.1
149.13257	6.3
151.11304	3.1
153.05461	3.0
155.08591	10.5
156.09311	4.3
157.10159	32.7
158.10902	4.5
159.06874	3.4
159.08070	16.5
159.11700	51.3
159.12914	4.2
161.09657	12.8
161.13261	18.2
163.03851	4.0
163.07619	4.3
163.11246	9.0
163.14842	5.4
165.06992	4.5
165.09070	4.1
167.07112	3.0
167.08554	4.3
169.10068	14.9
170.10995	3.9
171.06819	3.0
171.08055	13.2
171.11697	34.6
173.09708	10.1
173.13261	25.4
175.11107	13.7
175.14857	11.5
176.10712	2.9
177.07588	3.7
177.09229	4.3
177.11162	7.4
177.12726	3.0
177.16412	3.8
180.09419	3.4
181.10175	8.0
183.08142	2.9
183.11604	13.2
185.09674	8.7
185.13315	16.8
187.11226	9.2
187.14851	17.7
189.09178	7.9
189.12831	8.7
189.16399	39.9
191.10612	4.9
191.14362	6.0
192.97488	2.8
193.10197	3.0
195.11771	10.5
197.13303	9.4
199.11284	5.8
199.14941	6.3
201.12833	9.2
201.16403	28.7
203.14330	4.9
203.17969	12.4
205.10693	4.8
206.11336	4.5
207.10239	10.0
207.11926	5.0
209.11703	4.0
209.13458	4.3
211.14871	4.0
213.12811	7.3
213.16457	12.1
215.10706	3.1
215.14319	5.2
215.17876	13.6
217.16020	3.6
219.17554	4.4
223.14964	5.4
225.12843	10.7
225.16492	8.2
227.14426	4.5
227.17986	11.3
229.15953	3.0
231.13901	4.2
231.17531	8.3
233.19031	2.9
239.14430	3.8
239.17992	3.5
241.15918	5.3
241.19656	3.1
243.13910	8.1
243.17593	6.2
245.19128	11.8
255.17513	5.2
257.19101	6.3
261.14713	5.3
265.19537	2.9
269.19089	4.2
273.18567	9.7
275.20343	5.3
279.16095	5.5
285.10193	3.4
287.20065	5.3
293.19083	3.2
299.20203	6.9
302.17517	3.8
303.17892	21.8
305.21170	5.5
306.10010	2.7
311.20029	15.3
329.21033	33.0
340.65625	2.8
347.22327	40.3
358.18655	2.9
365.10565	6.5
365.23376	100.0
366.23779	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	365.2474
Annotation	Quinestrol
Peak:m/z	Relative Intensity
51.07021	3.0
53.84644	3.5
55.05502	14.4
56.11607	3.2
56.96548	9.3
57.03439	4.4
57.07075	10.4
59.04997	4.8
67.05507	26.5
69.03423	6.5
69.07063	18.5
70.08843	16.4
71.04984	5.0
76.23392	3.3
77.55096	3.3
79.05482	20.0
81.07056	41.2
83.04964	5.5
83.08619	11.5
85.06541	9.3
91.05474	33.9
93.07043	37.6
95.04958	39.3
95.08598	25.8
97.06548	10.5
103.05477	4.8
105.07019	53.9
107.08588	29.1
109.06530	12.7
109.10142	19.8
111.08080	3.7
117.07001	16.6
119.08575	45.8
121.06489	4.4
121.10137	33.0
123.08092	9.4
123.11720	4.7
128.06192	6.4
129.06985	12.4
130.07796	7.7
131.08557	36.4
133.06493	7.6
133.10115	24.8
135.08063	9.4
135.11691	8.5
141.06938	5.6
142.07794	9.5
143.08571	30.6
145.10129	39.1
147.08070	9.0
147.11679	13.7
149.09595	11.3
151.07581	4.3
155.08568	15.8
156.09334	8.0
157.10065	26.2
158.10892	5.5
159.07959	4.2
159.11665	16.0
161.09665	10.0
161.13266	6.2
165.07063	5.8
166.07828	4.3
167.08578	8.8
168.09390	4.8
169.10063	17.7
171.11681	24.2
173.09666	5.2
173.13254	36.2
175.11166	5.9
175.14845	4.1
177.12727	3.9
178.07768	4.4
179.08633	7.7
180.09360	4.0
181.10155	17.3
182.10875	6.5
183.11700	23.7
185.09641	6.6
185.13280	12.7
187.11255	4.4
187.14813	6.6
189.12781	4.5
191.14313	22.3
192.09392	6.7
193.10191	14.7
194.10849	6.6
195.11588	19.0
196.12418	5.1
197.13217	17.5
199.11264	5.1
199.14896	5.3
201.12704	8.4
203.05243	6.9
206.10875	4.4
207.11679	13.4
208.12573	5.3
209.13269	17.5
210.14091	4.6
211.14870	10.6
215.14308	4.2
219.11681	5.5
220.12456	3.9
221.13275	12.7
223.14848	12.6
227.14244	5.8
229.16037	3.6
233.13232	9.0
234.13957	5.9
235.14848	8.5
237.16437	8.4
239.14343	4.5
239.17918	3.8
241.15926	7.4
247.14856	5.8
249.12851	4.2
249.16386	11.6
251.18120	5.3
253.15909	4.8
263.18005	9.1
264.18787	5.3
265.15933	6.1
267.17294	7.9
273.16263	6.8
281.19012	11.4
291.17273	5.7
305.18979	4.3
309.18582	6.6
319.24051	4.4
347.23441	31.1
365.10608	8.9
365.24619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.05509	1.0
57.03429	0.2
57.07079	1.8
67.05513	1.3
69.03413	0.2
69.07068	1.1
71.04990	0.3
71.50025	0.3
73.04125	0.2
79.05482	0.7
81.07059	1.7
83.04985	0.3
83.08611	0.5
85.02909	0.2
85.06535	0.6
91.05482	0.8
93.07036	1.4
95.04958	0.5
95.08613	1.3
97.06538	0.5
99.08083	0.4
105.07030	0.7
107.08607	0.8
109.06525	1.6
109.10146	0.8
119.08562	0.8
121.10173	0.7
123.08070	3.5
123.11685	0.3
124.06864	0.2
124.08847	1.5
125.05971	0.3
131.08592	0.2
133.10138	0.5
135.08064	0.6
135.11691	0.4
137.05988	0.6
137.09639	0.5
138.06755	0.2
139.07532	0.4
143.08575	0.2
145.10155	0.5
147.08104	0.2
147.11716	0.3
149.09578	0.2
151.06332	0.2
151.07545	3.5
151.11160	0.4
151.12305	0.2
152.08322	7.0
157.10088	0.3
159.11758	0.4
161.09682	0.2
164.08345	0.2
165.09117	9.3
165.12746	0.3
166.09802	0.7
175.11208	0.2
175.14658	0.2
177.09148	0.5
177.12721	0.4
179.10654	2.5
179.14293	0.4
181.10121	0.2
181.12221	0.3
192.11610	0.2
193.12233	0.2
194.13029	4.4
195.13603	0.3
203.05296	0.5
207.13809	1.6
221.15355	0.4
235.16940	0.9
249.18486	1.1
263.20050	1.8
271.15750	0.2
277.21661	0.4
319.26337	1.1
329.24780	0.5
347.25812	16.8
348.26166	0.7
365.26859	100.0
366.22687	0.2
366.27231	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	365.2685
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01883	0.2
55.05509	1.2
56.96551	0.2
57.03394	0.2
57.06804	0.2
57.07074	2.4
58.05090	0.1
67.05507	1.8
69.03417	0.3
69.07056	1.2
69.46500	0.3
69.46915	1.0
71.08618	0.2
79.05497	1.2
81.07049	1.9
82.72993	0.1
83.04982	0.4
83.08620	0.5
85.06541	0.9
91.05487	1.5
93.07044	1.7
95.04970	1.1
95.08605	1.9
95.26022	0.2
97.06532	0.3
102.42374	0.1
103.48005	0.1
105.07025	1.7
107.08583	1.8
109.06511	1.7
109.10132	0.9
111.08071	0.2
115.05479	0.2
117.07043	0.5
119.08581	1.8
121.06467	0.4
121.10144	0.7
121.64831	0.1
123.08070	4.0
123.11753	0.2
124.08864	1.6
125.06001	0.4
128.06187	0.2
128.44000	0.2
129.07007	0.4
130.07776	0.2
131.08572	0.7
133.10141	1.0
135.08031	1.0
135.11713	0.5
137.05983	0.6
137.09612	0.4
138.06815	0.3
139.07545	0.4
141.06943	0.2
142.07773	0.5
143.08542	0.9
144.09296	0.2
145.10117	1.1
147.08083	0.2
147.11702	0.5
149.09660	0.3
149.13275	0.3
151.07530	4.1
151.08694	0.2
151.11165	0.3
152.08324	7.1
153.08928	0.1
155.08502	0.4
156.09364	0.5
157.10123	1.7
158.10832	0.2
159.08066	0.3
159.11705	0.8
161.09618	0.5
161.13234	0.4
164.08272	0.1
165.09116	10.1
165.12843	0.2
166.09865	0.7
167.08560	0.3
169.10149	0.6
170.10869	0.2
171.11696	0.7
173.09677	0.2
173.13237	0.3
175.11209	0.3
177.09073	0.4
177.12718	0.3
179.08557	0.4
179.10675	2.4
180.09380	0.2
181.10168	0.3
181.12206	0.5
183.11694	0.6
185.13211	1.5
187.11191	0.3
187.14771	0.2
193.10132	0.3
193.12177	0.4
194.11163	0.3
194.13022	3.7
195.11679	0.5
195.13803	0.4
196.12473	0.3
197.13272	0.5
199.14583	0.1
203.05307	0.2
205.15912	0.2
207.11719	0.5
207.13831	1.8
208.12415	0.2
209.13206	0.6
211.14815	0.3
219.11703	0.2
220.12326	0.2
221.13258	0.4
221.15370	0.3
223.14818	0.3
235.14836	0.3
235.16858	0.9
237.16284	0.3
247.14815	0.2
249.16370	0.3
249.18544	0.9
251.17958	0.2
259.14905	0.2
263.17798	0.1
263.20129	1.9
270.74225	0.2
277.15833	0.2
277.21741	0.4
305.21292	0.2
308.98380	0.1
319.26462	1.0
347.25842	17.0
348.26349	0.8
365.26868	100.0
366.27237	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	365.2684
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
50.19300	0.2
55.01849	0.6
55.05515	1.8
57.07076	2.0
67.05507	1.5
69.03402	0.4
69.07068	2.9
70.70760	0.3
70.71108	0.5
71.08624	0.5
79.05494	1.3
81.07054	2.5
83.04954	0.6
83.08579	0.9
85.06506	1.1
89.02055	0.2
91.05469	1.2
93.07028	1.9
95.04938	0.6
95.08604	2.3
97.06489	1.0
99.08059	0.5
100.06628	0.3
105.06991	1.0
107.08602	2.7
109.06514	2.3
109.10130	0.8
111.04411	1.0
111.08037	0.3
119.08559	1.5
121.06482	0.4
121.10098	0.8
123.07229	0.4
123.08061	5.8
123.11676	0.5
124.08809	0.9
125.05974	1.2
131.08533	0.5
133.10078	1.0
135.08047	1.3
135.11626	0.9
137.05959	0.9
137.09581	0.7
139.07538	0.4
143.08444	0.4
145.10085	0.7
147.11613	0.7
149.09567	0.7
149.13211	0.4
151.07539	3.8
151.11172	0.3
152.08307	3.0
153.12735	0.3
159.11665	0.6
161.13251	0.3
163.11139	0.4
163.14821	0.3
164.08345	0.3
165.09108	13.8
165.12698	0.7
166.09842	1.1
175.11124	0.9
177.09079	0.8
177.12737	0.4
178.09850	0.3
179.10646	2.1
179.14236	0.6
181.12149	0.4
184.24232	0.2
191.10632	0.3
193.12230	1.5
195.13826	0.7
208.14610	1.7
209.15376	0.3
209.72813	0.3
219.13683	0.5
221.15369	2.6
227.95364	0.3
235.16890	0.4
249.18497	1.0
263.20074	0.9
272.15192	0.3
305.24710	4.1
305.28156	0.3
319.26294	5.3
320.27054	0.3
329.24585	0.3
347.25793	47.5
348.26041	1.8
365.26849	100.0
366.27234	3.9
387.04858	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	365.2687
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
52.94249	3.8
55.01856	4.0
55.05517	20.9
56.84697	2.8
56.96577	5.0
57.03426	3.5
57.06802	5.5
57.07075	100.0
59.04984	4.0
67.05512	24.7
69.03436	5.3
69.07067	45.7
71.04970	3.2
71.32516	2.8
71.32855	4.8
73.46992	3.0
73.61000	3.1
79.05498	19.7
81.03419	3.2
81.07063	34.1
83.04968	5.4
83.08609	14.0
85.06541	60.8
86.34607	3.2
91.05467	14.6
93.07054	25.2
95.04971	7.5
95.08625	30.9
97.02908	3.6
97.06535	18.7
99.35776	3.0
105.07019	12.3
107.08588	25.8
109.06525	26.3
109.10159	13.7
111.08096	8.4
117.06996	4.4
119.08573	12.0
121.06504	5.7
121.10122	13.1
123.08060	8.2
123.11665	4.9
129.07083	3.8
131.08562	4.1
133.10144	10.5
135.08070	24.2
135.11696	29.2
143.08589	3.1
145.01704	3.4
145.10121	9.9
147.11659	7.4
149.09669	5.2
151.07495	4.4
153.12741	14.0
157.10117	6.2
159.94370	3.2
161.09631	3.6
163.11182	6.5
165.12817	8.9
167.14331	5.1
171.11778	4.0
177.12758	12.2
193.12138	4.7
195.10013	4.1
217.14352	11.4
225.12866	3.0
263.20059	55.1
268.12280	3.3
279.19360	3.9
291.19745	4.0
347.22205	3.4
347.25827	89.4
348.26434	6.4
365.10617	5.0
365.22995	13.7
365.27115	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	366.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	4.1
64.93286	1.0
70.10178	3.8
95.18969	1.1
97.02874	1.3
98.97578	7.3
105.10287	1.1
116.98610	8.2
119.01902	8.1
134.99640	10.3
137.02998	5.1
153.00726	4.1
158.47655	1.0
170.77440	1.1
177.00929	23.9
178.01126	2.6
179.00728	2.6
183.06223	1.4
183.68646	1.0
192.98724	1.3
201.00952	2.3
201.07332	1.8
211.99939	1.2
217.04047	3.0
219.02020	42.0
220.02112	3.9
221.01718	7.1
225.01111	1.5
235.00003	8.2
236.99789	2.0
242.03625	1.7
243.02017	6.5
253.00980	2.5
255.00780	1.5
258.97089	1.4
258.99890	13.8
260.00101	3.1
260.04526	2.3
261.00159	4.7
261.03061	100.0
262.00201	1.6
262.03223	5.0
263.02893	8.1
264.02948	1.4
264.99075	2.2
272.94406	1.2
274.97687	2.5
276.97842	1.8
277.00983	30.4
278.01059	5.8
279.00769	8.8
280.01053	4.4
281.00851	1.2
282.99988	23.0
283.06268	2.9
283.99905	1.9
284.04694	2.4
284.99783	1.8
285.99973	4.1
292.98648	1.5
301.01047	80.5
302.01068	11.1
303.00861	5.6
304.00989	10.2
305.00565	2.0
316.99008	1.5
319.02051	7.8
322.02124	1.6
324.00858	1.8
324.08624	2.1
325.01044	4.4
342.01910	10.9
343.02100	32.3
351.95435	2.4
354.93814	1.6
360.03275	1.6
360.46362	2.7
360.96353	6.1
361.03198	14.1
361.46176	2.6
366.03268	2.4
383.96484	1.5
384.03058	5.1
385.02963	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	366.1771
Annotation	Isopentenyladenine-9-glucoside
Peak:m/z	Relative Intensity
53.03930	0.2
57.03429	0.4
59.82616	0.1
59.89637	0.2
61.02927	0.8
69.03425	2.2
69.07065	4.9
69.50236	1.3
71.04995	0.2
73.02901	0.6
79.05540	0.1
81.03403	0.7
85.02894	2.5
86.09692	0.2
87.04472	0.4
97.02902	1.1
98.20831	0.3
99.04457	0.2
109.02874	0.4
119.03568	1.0
127.03893	0.3
136.06178	100.0
136.90475	0.2
137.04591	0.8
137.06508	0.6
148.06174	19.0
167.07086	0.2
173.12779	0.2
178.07272	0.4
204.12436	58.2
205.12711	0.7
246.13567	0.3
254.33572	0.2
276.89340	0.2
298.11441	0.4
312.16989	0.2
341.00803	0.2
366.17700	40.7
367.18127	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	366.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
56.96572	0.7
59.06128	0.6
60.04527	23.3
67.05505	0.9
69.03439	1.1
70.02941	1.3
70.06590	1.0
70.88234	0.5
71.49174	0.7
71.49559	1.1
72.04501	1.0
79.05463	0.6
81.07055	1.6
83.04974	0.6
84.04561	0.5
84.08142	1.2
85.02905	0.9
85.06581	0.6
86.09708	74.7
87.05597	16.2
91.05495	1.3
93.07038	1.5
95.08636	1.0
97.06548	0.6
98.97609	0.9
103.05486	1.4
105.07008	1.3
107.04966	1.0
107.08631	0.6
109.10146	0.6
112.11279	0.8
114.46890	0.6
118.06570	1.3
119.08579	0.9
120.08109	33.0
121.06518	1.0
121.08403	0.7
125.09592	0.6
128.10722	9.9
130.06535	1.0
132.10239	0.8
133.02853	1.2
134.09575	0.6
135.04439	1.2
136.06175	2.6
144.08134	1.0
149.05978	0.6
151.11180	0.8
162.09140	2.7
163.09938	0.7
165.05519	0.7
166.08641	12.4
167.07123	1.2
169.01390	0.6
169.12256	0.6
173.12865	100.0
174.13203	1.6
189.05516	3.3
189.65402	0.5
193.04961	1.3
201.12347	24.2
201.14250	1.3
202.12711	0.9
207.11304	4.8
216.72231	0.6
218.04576	0.5
219.13411	0.8
221.08340	0.5
222.11545	1.0
230.15369	2.0
235.10802	1.0
252.09309	0.8
279.17004	1.9
292.18985	5.8
307.14340	1.5
312.20590	0.6
366.22958	10.6
367.11716	1.6
367.16226	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05504	4.9
56.05039	6.5
56.96571	2.1
57.03449	0.8
57.07076	0.7
58.06614	0.6
60.04503	0.8
61.02933	1.3
65.03934	0.6
67.05508	9.3
69.03431	5.3
69.07072	1.9
70.06587	2.7
71.04984	2.1
71.49149	0.8
71.49512	0.8
72.08161	1.8
73.02919	1.5
74.02442	1.3
79.05511	1.2
81.03422	2.0
81.07059	21.0
83.05014	1.0
83.30327	0.6
84.04510	1.5
84.08159	2.7
85.02910	13.8
85.06534	0.5
86.09695	1.3
87.04456	0.6
91.05499	0.7
93.07042	0.8
95.04996	0.6
95.08609	1.8
97.02905	4.7
97.10191	0.6
98.97581	2.0
99.04441	0.7
105.07035	0.7
107.08585	0.7
109.02895	1.0
110.07193	1.4
112.11209	0.6
116.98621	1.6
120.08101	1.6
123.11700	4.3
127.03928	2.5
128.02295	0.6
130.05008	0.9
134.99678	1.0
136.07588	0.9
140.14348	13.2
144.04449	0.7
144.08032	0.7
145.04988	0.9
146.05968	0.8
146.99617	1.2
147.04393	0.9
157.96114	0.6
158.01352	0.6
158.15410	100.0
159.15744	1.1
161.01167	1.0
163.03886	0.9
169.08517	0.8
186.05627	0.6
186.11415	0.7
186.14882	3.6
188.07043	0.8
189.00793	0.7
200.16451	1.2
204.06383	1.0
204.15958	92.1
205.16322	1.7
221.75508	0.6
237.02744	1.6
246.16986	1.0
270.00983	0.6
280.03964	0.9
282.16824	0.7
350.11966	0.6
366.05707	0.8
366.11237	1.7
366.21317	1.1
367.10028	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	367.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.4
64.41341	0.1
71.48611	0.2
73.45905	0.1
74.60039	0.2
82.99896	0.2
98.97597	0.4
101.00874	0.3
116.98623	0.6
119.01067	0.3
119.01921	5.5
122.97825	0.2
134.99718	0.8
137.02956	3.6
153.00864	0.7
158.99886	0.5
165.99628	0.2
175.03104	0.2
177.00955	18.3
178.01024	0.7
179.00740	0.3
182.99893	0.5
183.24669	0.2
193.04074	0.5
195.01997	0.7
198.66696	0.2
200.02512	0.3
201.00859	0.8
204.41141	0.2
211.31747	0.2
217.04091	2.7
218.03970	0.2
219.02003	24.4
220.02086	1.4
221.02115	0.4
225.00836	2.4
227.99571	0.2
234.99950	0.7
236.00040	0.8
236.99710	0.3
242.01279	0.2
242.03624	0.6
243.01952	5.3
243.04301	0.3
244.02156	0.2
253.01109	0.2
254.01091	0.5
255.01027	0.2
258.99957	0.8
260.00217	1.3
260.04642	0.3
261.03055	100.0
262.00427	0.2
262.03192	3.8
263.03256	0.6
274.97449	0.2
275.04663	0.4
277.00992	1.4
278.01129	2.6
279.00882	0.9
280.00986	0.5
282.99927	1.0
284.00113	2.8
284.04651	3.4
284.99789	0.6
285.04910	0.2
286.99612	0.2
301.00986	2.6
302.01157	8.2
303.00882	1.6
304.00909	0.2
305.00507	0.3
319.02087	0.4
320.02161	0.7
325.01962	0.4
326.01218	0.3
343.02084	1.5
344.02252	3.5
361.03189	0.4
361.27762	0.3
362.03317	1.4
367.01962	0.9
385.03152	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	367.1499
Annotation	Semilepidinoside B
Peak:m/z	Relative Intensity
50.90429	0.5
53.03949	0.9
55.01893	1.4
55.05274	0.5
55.05535	1.5
56.96584	1.4
57.03452	2.2
59.05009	0.9
61.02928	2.6
67.05527	1.1
69.03432	9.7
69.07085	0.8
70.06610	1.7
70.83016	1.1
70.83382	0.9
71.01385	0.6
71.05013	1.6
72.08153	3.6
73.02936	2.2
74.06097	1.5
79.05516	1.3
81.03418	3.1
81.07061	1.0
82.06609	0.5
83.05046	0.6
83.08614	0.5
84.04530	0.7
84.08159	1.7
85.02908	13.5
86.09740	1.9
87.04497	1.7
91.05498	3.3
93.07056	0.9
95.01374	1.6
95.04986	1.5
95.08617	0.9
97.02892	5.9
97.06573	0.7
98.97582	1.1
99.04491	2.0
103.05504	0.5
104.05007	1.7
105.07047	1.6
107.04984	1.2
107.08630	1.1
108.04456	0.6
109.02911	1.5
109.06508	0.8
111.04527	0.6
115.03965	0.6
116.98644	0.6
117.07034	0.8
117.60990	0.5
118.06556	1.2
119.08629	1.0
120.08134	1.9
121.06519	0.6
121.08418	0.7
121.10156	1.3
123.11715	0.6
127.03900	2.6
129.04491	6.6
130.02951	1.1
130.06546	0.7
131.08554	1.2
133.02844	0.9
133.10172	0.7
135.08067	1.3
136.07590	0.6
137.06029	0.8
137.09586	0.7
143.08521	0.6
144.08138	1.3
145.05035	1.5
145.10124	1.0
146.05942	0.7
147.05531	22.3
148.05862	0.6
149.09633	1.1
159.05530	1.4
159.11700	1.0
163.03976	1.0
163.11209	0.9
164.07069	0.7
165.05504	1.0
167.07005	1.5
168.06648	0.5
173.13129	2.3
174.13245	1.0
177.09091	5.9
179.07108	0.6
187.08670	71.8
188.07080	0.9
188.08862	0.5
190.08569	0.5
191.14278	0.6
193.12321	0.6
201.12448	0.8
205.09727	100.0
206.09979	1.3
208.06111	0.7
215.08327	0.6
237.00612	0.7
237.02757	0.7
303.13367	0.7
315.00412	0.5
335.12115	0.5
349.16400	1.8
350.26334	0.5
367.14627	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	367.1498
Annotation	Semilepidinoside B
Peak:m/z	Relative Intensity
50.33708	0.6
57.03420	1.9
61.02922	1.7
61.64003	0.6
69.03429	3.5
70.87077	1.4
73.02908	1.2
73.69315	0.7
78.07040	0.7
81.03415	1.4
81.65966	0.6
83.60089	0.7
85.02908	10.9
97.02880	2.6
99.04483	0.9
103.03941	1.6
109.02896	0.9
115.05470	2.3
117.05741	1.1
117.07068	1.1
118.06536	24.4
118.07393	1.5
127.03928	1.3
129.06999	1.4
130.06528	7.1
131.07320	0.7
132.08080	11.4
142.06496	3.5
143.07289	6.5
144.08093	20.3
145.07599	3.3
146.06004	69.6
154.06485	2.4
156.08072	12.9
158.06082	1.1
158.09680	1.2
159.09212	4.1
160.07549	7.2
160.34665	0.7
167.07265	1.1
168.08130	4.6
169.07689	1.2
170.05992	8.9
171.06790	1.1
171.09067	1.3
172.07568	1.5
174.09145	1.0
180.08058	1.0
182.05994	2.2
183.06796	1.5
183.09222	1.0
184.07571	4.6
185.08315	1.0
186.05502	1.8
186.09137	1.8
188.07060	100.0
192.98439	0.6
196.07608	0.9
198.09132	1.7
200.07013	1.6
202.08665	4.3
205.09715	21.6
212.07094	2.0
217.09763	1.2
222.08990	0.8
228.06503	1.0
229.09703	2.1
230.05824	1.6
230.08119	29.9
247.10739	7.6
258.11224	1.9
266.08008	0.8
272.09415	0.8
274.00397	0.7
276.12283	1.3
295.44241	0.7
307.89005	0.6
331.12766	2.1
332.11346	3.5
349.14014	0.7
350.12415	7.7
367.14893	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	367.179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01863	0.4
55.05507	2.2
56.96566	29.0
57.03441	0.4
61.72038	0.3
65.35164	0.3
67.05505	2.9
69.03425	0.8
69.07066	3.0
69.77771	0.3
71.49579	0.4
71.95277	2.9
72.96033	1.1
74.97611	1.0
77.09055	0.3
77.82346	0.3
79.05492	4.9
81.07057	12.0
83.05000	0.6
83.08677	0.3
84.96026	0.7
85.02903	0.3
85.06546	0.5
90.81528	0.4
91.05457	1.8
92.98634	0.6
93.07050	2.3
95.04967	1.0
95.08609	2.4
97.06525	1.7
97.10166	1.1
97.96839	1.0
98.97588	1.0
99.04401	0.4
105.07029	2.5
107.04948	0.7
107.08620	2.1
109.06483	0.9
109.10162	1.6
110.08222	0.4
110.97607	1.2
115.00700	0.8
115.97834	1.1
116.98629	1.0
117.07022	0.6
119.08591	1.7
121.10138	1.2
123.01229	1.2
123.08051	0.5
123.11696	0.8
125.09567	0.4
128.98601	3.8
131.08574	1.0
133.01772	0.5
133.02783	0.4
133.10165	1.0
133.98854	0.5
134.99615	0.9
135.11679	0.6
137.02727	0.7
139.11215	0.5
141.02213	1.0
143.08574	0.5
145.01703	0.7
145.10110	0.9
146.99640	5.5
147.03191	0.4
147.11671	1.4
148.00436	0.5
149.01198	0.6
149.09625	0.5
149.13339	0.6
151.11150	0.6
155.03810	1.9
155.08548	0.4
157.01720	0.4
157.10109	0.5
159.03270	1.0
159.11615	0.8
160.00546	0.5
161.01236	0.8
161.04802	0.4
161.09483	0.4
161.13278	0.6
163.11266	0.5
165.00700	1.2
165.12762	0.8
167.03793	0.6
169.01730	0.9
169.05377	0.4
171.03253	1.5
171.11794	0.5
173.01286	0.7
173.04813	1.4
173.06129	0.5
173.13338	0.4
174.02232	0.4
175.02728	0.6
175.11176	0.6
177.04416	0.7
177.12730	0.4
179.02304	0.8
181.05264	0.4
181.06610	0.5
183.03397	0.5
183.06847	0.4
185.01190	0.4
185.04858	1.4
187.02829	1.5
187.06372	0.8
189.04373	2.0
191.05922	0.8
193.03883	0.4
195.03262	0.4
195.06963	1.3
197.04758	0.7
197.08446	0.7
199.02748	0.4
199.06369	3.2
201.04298	0.9
201.07996	0.6
203.05862	3.5
205.07423	1.5
207.05339	0.4
211.06407	1.1
213.05762	0.6
213.07959	8.0
215.05960	0.5
216.03139	0.5
216.06757	0.5
217.07474	7.3
219.09032	0.6
221.06807	0.5
221.08682	0.5
222.08133	0.4
223.02762	1.1
223.06531	0.7
223.08514	2.1
223.10330	0.7
225.07867	3.5
227.05779	0.5
227.09634	0.8
229.07487	7.9
231.09039	16.3
233.08516	0.5
235.06404	0.5
236.09613	0.6
237.04324	1.1
237.07990	2.1
237.10025	0.4
239.09532	3.9
241.05150	0.6
241.07469	0.8
241.11147	3.4
242.08177	1.1
243.06581	0.5
243.09006	5.9
244.09666	0.4
245.06937	0.9
245.10669	0.7
247.08551	9.8
248.09348	0.4
251.09525	4.5
252.09109	1.0
253.11143	1.3
254.10600	0.8
255.06461	0.8
255.09023	6.1
257.06738	0.6
257.10648	4.2
259.12207	7.3
260.09320	0.4
261.07730	0.6
261.10269	1.8
267.06479	0.5
267.09036	0.7
268.09595	0.4
269.10593	29.8
270.10925	1.2
271.09378	0.3
271.12195	1.5
273.10077	5.4
275.20041	1.4
279.09033	2.1
280.09711	2.1
281.04510	1.2
281.10620	0.5
285.10028	1.0
287.11658	19.1
292.12228	3.0
293.21060	0.4
297.10110	4.0
298.10852	1.8
307.15662	0.8
309.81964	0.3
310.13199	1.1
313.14551	0.9
313.21497	0.5
315.11023	2.7
316.11816	0.5
321.17477	0.5
323.08975	2.1
325.16666	0.5
331.15765	8.7
331.22528	1.3
332.15991	0.6
349.16876	18.0
349.23642	0.7
350.17520	0.5
367.17902	100.0
368.18173	3.9
372.18442	1.4
385.18961	24.6
386.19315	1.2
390.20139	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01868	9.9
55.05511	19.3
56.96568	4.4
57.03429	6.3
57.07069	2.9
58.06592	1.1
59.04973	0.9
60.04522	1.0
65.03922	1.9
67.05502	31.3
69.03423	3.0
69.07070	18.5
70.40995	3.7
71.04991	3.7
71.08627	4.4
75.05305	0.9
79.05495	25.9
81.03405	3.5
81.07051	32.5
82.07361	1.3
83.04989	8.8
83.08612	11.9
85.02902	1.2
85.06535	2.5
86.09713	1.9
87.04436	1.0
90.57636	0.9
90.95232	1.0
91.05479	24.3
93.07043	33.4
95.04967	17.2
95.08602	22.1
97.02906	1.0
97.06522	9.9
97.10150	7.5
98.97552	1.4
99.04433	1.2
99.08097	4.9
105.07030	24.3
105.08145	0.9
107.04942	10.6
107.08587	24.0
109.06523	10.8
109.10146	12.1
111.04440	3.8
111.08084	3.3
111.54692	1.0
112.07576	1.3
116.06302	1.0
116.98599	1.0
117.07002	7.4
119.08574	16.4
121.06503	9.6
121.10139	11.4
123.08078	7.0
123.11707	3.9
125.06006	1.3
125.09637	6.9
128.06270	1.5
128.10713	1.7
129.07010	3.6
131.08569	18.3
133.06490	3.0
133.10120	16.1
135.08049	6.5
135.11668	6.5
137.09624	4.2
141.06924	1.6
142.07733	1.0
143.08531	2.4
145.06477	2.2
145.10123	16.3
146.99620	1.1
147.08084	3.9
147.11687	11.3
149.09618	10.1
149.13277	3.7
151.11139	5.5
153.09103	1.2
153.12738	1.2
155.08530	2.4
155.10686	0.9
157.10139	4.1
159.08063	3.1
159.11682	8.3
161.09645	2.6
161.13271	2.9
163.11185	11.8
165.12762	4.3
169.10153	2.0
171.10255	1.3
171.11717	3.0
173.09657	2.2
173.13234	5.5
175.11214	2.9
177.12755	4.0
179.10712	0.9
181.12433	0.9
183.11769	2.7
187.11238	2.5
189.11244	5.2
189.12709	1.9
191.14326	3.2
193.12251	1.8
195.13730	1.8
197.13292	1.9
199.14877	1.2
201.12772	2.6
205.12054	1.1
207.13849	2.3
217.07529	1.5
219.13841	2.5
221.91513	1.2
223.13312	3.6
227.12738	1.9
229.07457	1.0
229.19547	2.8
231.08907	1.2
231.17397	1.2
237.14668	1.7
239.17973	2.8
247.20586	5.7
257.18985	12.5
265.21588	1.2
273.18689	1.4
275.20062	100.0
276.20343	5.0
285.10107	1.2
293.21060	17.2
349.19995	2.0
349.23718	27.4
350.23624	2.3
352.08087	1.0
367.11716	2.4
367.21072	3.3
367.24884	27.9
368.24442	7.1
385.18893	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01883	5.1
55.05286	1.2
55.05516	14.6
56.96564	31.8
57.03437	6.1
57.07057	2.8
59.04985	1.4
65.03933	1.2
67.05149	1.5
67.05505	26.7
69.03413	2.7
69.06743	1.4
69.07066	16.4
70.75401	1.3
70.75729	2.3
71.04972	3.2
71.08619	1.2
71.95263	1.7
74.97591	0.9
79.05492	25.9
81.03384	1.5
81.07055	33.4
82.07423	1.1
83.04987	6.2
83.08620	4.1
85.06534	1.7
91.05479	19.1
93.07040	28.2
95.04972	7.5
95.08606	19.6
97.06535	6.2
97.10166	2.9
99.08092	1.2
103.05459	1.4
105.04536	1.1
105.07034	28.6
107.04946	7.0
107.08582	16.9
109.06520	8.3
109.10153	8.3
111.04427	3.3
111.08051	2.8
113.05936	1.1
115.00674	2.1
116.98613	1.5
117.07027	8.0
119.08582	16.3
121.06490	11.2
121.10146	10.0
123.08080	5.0
123.11720	3.2
125.09613	1.4
128.98515	2.2
129.07018	4.7
131.08562	20.3
133.01736	2.1
133.06474	2.6
133.10135	17.7
135.08063	4.3
135.11707	6.1
137.02719	1.0
137.09622	3.7
141.02222	1.1
141.06993	1.5
143.08540	3.5
145.06525	1.9
145.10123	13.5
146.99617	1.3
147.08051	4.4
147.11681	11.5
149.09622	8.2
149.13219	2.3
151.11203	5.2
155.03845	1.9
155.08511	2.1
157.01675	1.3
157.06490	1.0
157.10144	4.2
159.03224	1.6
159.08041	2.1
159.11693	8.3
161.09612	3.9
161.13249	2.7
163.11179	5.5
165.12779	1.7
167.03792	1.1
169.05389	1.5
169.10181	1.4
171.03287	4.3
171.11690	3.2
173.04889	1.1
173.09669	2.1
173.13252	6.3
175.11188	2.6
177.12729	2.3
181.05275	1.5
183.03400	1.1
183.11723	2.1
185.01131	1.1
185.04845	2.3
185.13246	2.8
187.11137	1.7
187.14835	1.9
189.04324	5.8
191.05867	1.1
191.14323	1.8
195.11719	1.0
197.04855	2.5
197.13301	2.8
199.06421	6.9
199.14772	1.1
200.06642	1.1
201.04213	1.7
201.12737	2.7
203.05974	4.1
203.14471	1.5
205.05376	1.1
207.13857	2.7
211.02776	1.3
211.06462	1.3
213.08026	3.9
215.05901	2.7
215.17979	2.2
217.07478	21.7
217.15961	1.2
219.13802	3.3
219.17375	1.4
223.06364	5.4
227.05960	2.1
229.07468	5.3
229.19511	2.3
231.08957	6.0
237.14960	2.1
239.18011	2.8
241.07434	21.5
242.07838	1.3
247.08504	5.9
247.20575	4.0
253.07449	7.6
254.10680	1.2
255.09036	3.3
255.13704	1.1
257.19006	14.1
259.08548	38.6
260.08981	1.2
262.62128	1.0
264.08902	1.4
269.10684	1.3
271.08524	5.9
273.10095	1.9
275.20059	100.0
276.20401	4.0
277.09567	8.5
282.10181	2.9
293.21124	8.5
300.11337	1.3
307.15805	1.3
331.15750	5.2
339.18524	1.9
349.16928	36.6
349.23700	31.3
350.17288	4.1
350.24097	2.4
367.17935	75.2
367.25238	16.3
368.18076	6.3
385.18936	24.8
386.19681	1.9
390.19379	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.8
55.01875	22.7
55.05509	41.4
56.96557	2.7
57.03435	21.9
57.07064	9.5
58.95599	2.5
61.10528	2.2
65.03918	3.0
67.05505	100.0
69.03429	7.1
69.07074	26.7
71.04989	9.5
71.08611	10.0
71.49797	2.9
79.05022	3.1
79.05492	55.7
80.05847	2.4
81.03423	15.0
81.06606	4.4
81.07056	79.6
83.04985	17.2
83.08627	15.0
85.06537	9.5
85.10201	3.0
91.04919	4.6
91.05479	77.1
93.06497	3.9
93.07049	49.0
95.04974	27.3
95.08602	45.3
97.02863	4.2
97.06508	10.6
97.10154	6.1
99.08082	8.0
105.07031	54.9
107.04965	17.8
107.08593	47.4
109.06519	9.7
109.10151	49.0
111.04429	4.9
111.08064	7.5
113.05972	3.6
113.09634	3.1
117.06987	11.9
119.08588	20.6
121.06490	8.9
121.10161	15.6
123.04391	2.8
123.08066	16.1
123.11694	13.1
125.09607	14.0
129.07018	3.6
131.08566	17.2
133.10126	85.2
135.08060	6.8
135.11696	13.7
137.09625	16.7
141.36749	2.8
143.08545	4.3
145.10133	14.6
147.11687	7.4
149.09598	10.3
149.13225	4.8
151.11179	53.6
153.27365	2.2
157.10191	4.6
159.11717	3.2
161.09621	5.7
161.13290	3.2
163.11198	14.2
163.14801	3.8
165.09164	2.7
165.12759	2.9
169.12239	5.8
170.85017	2.4
173.09644	4.7
173.13239	4.9
177.12727	8.6
183.11639	3.7
189.16386	3.1
191.14270	3.0
209.11635	3.7
229.19379	2.8
247.20515	6.5
253.14333	5.0
257.19073	3.8
275.20056	35.9
293.21149	12.4
347.71683	2.4
349.23660	5.5
367.24826	37.4
368.24820	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.8
55.01815	4.4
55.05454	18.1
55.05741	1.5
56.96521	0.9
57.03383	6.9
57.03682	1.4
57.07032	1.7
59.26329	0.6
65.03894	1.2
67.05441	19.9
69.03370	2.4
69.07002	22.0
70.60461	2.3
71.04936	1.2
71.08632	24.2
71.08993	1.4
73.02826	0.8
79.05493	14.3
81.03358	2.2
81.07055	18.8
83.04986	5.0
83.08611	7.6
85.02859	0.9
85.06499	1.1
91.05479	10.1
93.07040	12.6
95.04961	6.9
95.08624	9.1
97.02830	1.2
97.06461	2.6
97.10167	5.4
98.11351	0.7
99.08097	17.8
105.07036	9.3
107.04984	4.1
107.08594	11.5
109.06438	3.1
109.10170	9.1
110.10402	0.8
111.04369	1.3
111.08015	0.8
111.11666	0.9
113.09589	0.7
115.05392	0.8
115.44229	0.6
117.07001	3.8
117.07650	0.7
119.08569	5.5
121.06476	3.9
121.10158	5.9
123.08004	2.6
123.11631	2.5
125.09631	4.2
129.06958	1.0
131.08563	4.2
133.06445	1.0
133.10104	8.6
135.07997	2.9
135.11711	3.6
137.09541	2.3
139.11183	1.7
141.06960	1.0
143.08514	1.4
145.06487	0.9
145.10138	3.6
147.11595	1.0
147.31656	0.8
149.09573	2.4
149.13188	1.7
151.11172	5.6
153.09106	0.8
157.10030	2.4
159.11642	2.6
161.09554	1.5
161.13107	1.4
163.11105	2.0
165.12796	1.0
167.10612	3.2
169.10054	1.2
171.11607	1.5
173.09415	0.9
173.11784	1.2
173.13176	2.2
177.12679	3.2
179.14326	0.9
185.15167	0.8
189.11269	3.6
195.13676	1.1
219.17212	0.8
237.14685	0.8
247.20551	2.5
257.18942	1.2
265.21606	2.7
275.20084	11.9
293.21109	100.0
294.21451	3.1
329.05621	0.7
354.85181	0.9
364.04675	0.7
367.24844	39.1
368.25055	0.8
368.31308	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	367.248
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03909	0.7
55.01815	4.3
55.05452	16.2
55.05737	1.6
57.03372	7.0
57.07016	1.9
65.03883	1.2
67.05437	16.4
69.03359	2.3
69.06999	22.3
70.60268	1.8
70.95135	0.6
71.04926	2.2
71.08627	25.4
71.08985	1.6
79.05490	13.2
81.03390	1.3
81.07054	15.9
81.42196	0.6
83.04969	5.0
83.08617	6.6
85.06480	1.4
91.05475	9.6
93.07037	13.9
95.04964	5.4
95.08607	9.9
97.02794	0.7
97.06544	3.4
97.10152	4.9
99.08090	17.5
105.07035	7.4
107.04943	3.4
107.08588	9.7
108.05727	0.9
109.06506	3.1
109.10139	6.8
111.04387	0.7
111.08022	2.2
111.11675	1.0
117.07008	3.9
119.08588	3.5
121.06437	2.7
121.10143	5.4
123.07991	2.8
123.11645	2.2
125.09638	4.2
129.06924	1.5
131.08592	3.0
133.10139	6.1
135.07973	2.4
135.11626	3.0
137.09518	2.0
139.11108	2.4
143.08516	1.4
145.10056	2.6
147.11633	2.0
149.09546	2.4
149.13162	2.6
151.11116	2.8
155.08412	0.8
157.10144	0.9
159.11623	2.4
161.09537	0.9
163.11134	1.4
164.11986	0.8
165.12682	2.3
167.10635	3.0
169.10069	0.7
171.11551	0.6
173.11722	0.7
173.13162	1.5
175.14645	0.8
177.12732	4.1
179.10648	0.8
183.11700	0.8
189.11237	3.3
189.12578	0.6
195.13733	1.5
219.21037	0.9
227.12756	1.0
229.07596	0.7
229.19450	1.1
247.20554	2.0
257.19128	1.1
265.21680	2.0
275.20065	11.2
276.20462	0.7
293.21094	100.0
294.21344	4.6
349.23962	0.8
367.24829	45.2
368.25101	2.0
368.31436	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02597	2.0
52.16492	1.9
53.03930	8.7
55.01651	1.8
55.01871	22.9
55.05508	42.3
57.03434	27.5
57.07062	9.8
59.04987	2.9
65.03922	4.4
67.05502	100.0
69.03407	6.2
69.07064	22.7
69.95934	11.4
71.04970	9.1
71.08631	13.5
72.80655	2.0
79.05492	47.5
81.03413	16.1
81.07052	83.5
83.04974	17.8
83.08611	18.1
85.02866	3.0
85.06533	11.2
91.04918	4.0
91.05476	72.0
93.07040	51.2
95.04960	28.4
95.08603	45.7
97.02882	4.7
97.06536	13.2
97.10146	8.5
99.08086	7.3
105.07028	52.6
107.04951	15.5
107.07914	2.7
107.08593	46.1
109.06506	11.2
109.10155	52.5
111.04385	2.2
111.08083	6.0
113.05971	4.1
117.07053	10.8
119.08590	21.1
121.06488	5.5
121.10121	17.3
123.08044	12.1
123.11692	13.2
125.09623	13.2
129.07027	4.5
131.08575	13.7
133.10123	82.4
134.10457	2.8
135.08040	6.8
135.11703	15.9
137.09628	15.6
145.10147	12.7
147.08012	3.4
147.11665	9.3
149.09593	12.0
149.13240	4.1
151.11177	60.7
153.12744	3.4
155.08621	3.5
157.10130	3.0
159.11642	6.6
161.09579	3.7
161.13237	4.9
163.11183	13.1
163.14832	3.5
165.09088	4.4
165.12775	2.4
169.12231	6.9
171.11705	2.3
173.13330	3.6
177.12706	6.1
179.10745	2.8
187.11179	2.2
209.11726	3.7
215.12666	2.8
229.15848	2.7
229.19516	3.9
247.20564	5.7
253.14294	8.7
257.19083	4.7
275.20035	30.1
276.20407	2.8
293.21088	10.0
294.21509	3.0
349.14893	2.4
349.23599	7.2
367.24881	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
53.42202	0.7
53.64521	0.7
55.01875	3.8
55.05512	10.2
56.96576	1.2
57.03429	2.5
57.07069	1.8
58.54954	0.7
60.28026	0.7
67.05507	21.7
69.03444	1.2
69.07064	12.9
71.04987	1.4
71.08630	1.3
71.34393	1.5
75.04454	1.1
79.05495	18.7
81.03409	1.0
81.07056	25.6
83.04980	5.1
83.08629	4.2
91.05478	20.5
93.07049	23.7
94.98661	0.7
95.04955	7.6
95.08602	16.6
97.06523	3.4
97.10133	2.5
103.05475	1.1
105.07027	24.9
107.04951	5.8
107.08585	15.0
109.06512	10.5
109.10148	5.9
111.08078	1.3
117.07027	6.4
119.08577	13.0
121.06508	10.8
121.10130	7.6
123.08057	5.5
123.11696	2.0
125.09612	1.4
129.07016	2.9
131.08572	16.8
133.06470	2.8
133.10126	17.5
135.08060	4.9
135.11656	5.8
137.09607	2.9
141.07008	1.7
143.08560	2.9
145.06509	1.5
145.09059	1.5
145.10123	13.7
147.08000	3.0
147.11690	12.1
149.09636	4.6
149.13254	2.7
151.11154	4.2
155.08519	2.2
157.10114	3.3
159.08035	2.2
159.11716	7.9
161.09641	3.8
161.13223	2.3
163.11168	5.9
169.10168	2.0
171.11694	1.7
173.09628	3.2
173.13255	5.1
175.11206	2.5
177.12730	1.5
180.64442	0.8
183.11705	2.6
185.01047	1.1
185.13208	0.9
187.11224	1.8
187.14809	1.2
189.12708	1.6
191.14307	2.2
197.13240	1.9
201.12700	3.7
207.13803	2.9
213.16245	1.0
215.17947	1.8
217.15843	1.1
219.13838	3.7
229.15939	0.9
229.19498	2.4
233.18958	1.1
239.17990	3.9
247.20607	4.6
256.46359	0.7
257.18991	13.5
258.19443	0.8
275.20062	100.0
276.20410	5.5
293.21075	8.2
335.79520	0.8
345.20441	0.8
349.23743	29.6
350.24020	1.9
367.24823	17.5
368.25119	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01864	9.8
55.05516	56.6
56.30713	2.5
56.96573	8.1
57.03434	19.4
57.07084	4.5
65.03940	5.2
67.05508	53.2
69.03426	6.7
69.07067	25.9
71.04998	2.6
71.08630	60.7
72.19740	2.4
79.05494	51.0
81.03401	9.3
81.03840	2.3
81.07059	41.7
83.04983	8.4
83.08629	17.1
85.06543	6.1
90.94839	4.0
91.05483	32.1
93.07051	34.3
95.04972	19.4
95.08621	29.3
97.06525	8.9
97.10165	25.9
98.21559	4.9
99.08097	41.3
105.07039	22.8
105.15074	2.2
107.04944	7.9
107.08604	26.9
109.06525	8.5
109.10162	15.4
111.08061	4.3
117.07034	9.5
119.08580	13.5
121.06506	6.4
121.10133	9.1
123.08084	4.0
123.11716	4.8
125.09621	25.6
129.07024	4.0
131.08586	11.9
133.10127	13.5
135.08044	10.9
135.11725	4.7
139.11176	7.3
143.08559	5.2
143.10701	2.7
144.99503	2.6
145.10132	7.4
147.11668	8.5
149.09679	3.3
149.13266	6.7
151.11215	6.3
153.07005	2.2
153.09065	4.1
155.08659	3.0
156.99486	3.0
157.10118	7.2
159.11737	4.2
161.09550	3.3
163.11118	3.7
165.12727	7.3
167.10664	5.0
169.10107	3.4
173.13278	3.8
175.86844	2.6
177.12735	5.6
183.11610	3.4
185.13222	3.4
187.57507	3.5
189.00594	2.9
189.11247	19.3
191.14241	2.9
194.03712	2.7
195.11749	3.1
203.01982	2.4
247.20615	3.3
257.19086	3.8
259.06281	6.4
271.06250	3.7
275.20123	26.0
293.21103	100.0
294.21609	3.7
301.27347	2.5
329.13971	2.6
331.18033	7.6
340.19928	2.4
347.15332	7.1
349.14474	11.6
349.18369	3.1
365.16214	5.6
367.16434	39.4
367.25201	25.7
368.16653	5.1
368.24646	3.4
385.16364	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49316	1.6
53.03946	4.5
55.01633	2.2
55.01869	15.6
55.05510	33.0
56.96559	11.3
57.03431	19.9
57.07071	4.1
60.04509	1.5
65.03929	5.4
67.05502	67.4
68.20052	1.8
69.03430	6.4
69.07069	37.0
69.16550	1.6
71.04987	5.1
71.08624	5.6
79.05490	53.2
81.03418	6.9
81.07054	100.0
83.04977	9.7
83.08617	16.6
83.17147	1.6
85.02891	4.1
85.06538	7.7
91.05476	42.6
93.07040	49.1
95.04953	15.3
95.08604	55.2
97.02913	1.9
97.06523	22.6
97.10169	10.9
98.97590	2.4
99.08105	6.0
100.36692	1.6
105.07026	49.3
106.07317	1.5
107.04967	12.9
107.08598	35.3
109.06520	12.4
109.10150	27.3
111.04446	2.7
111.08087	4.9
116.98606	4.1
117.07000	13.8
119.08574	34.7
121.06521	5.1
121.10137	21.7
123.08068	7.0
123.11671	7.8
125.06005	2.3
125.09631	13.1
128.98593	2.3
129.07007	6.7
131.08557	19.2
133.06494	1.7
133.10118	24.2
135.08066	6.2
135.11674	10.4
137.09578	9.2
137.13239	2.8
139.11237	1.9
143.08600	4.8
144.09325	2.0
145.06535	2.2
145.10120	18.5
146.99701	2.1
147.08029	4.6
147.11668	19.3
149.09619	14.1
149.13257	6.8
151.11194	7.7
154.12312	2.9
155.08496	3.2
155.10675	5.0
157.06334	2.1
157.10139	5.9
159.11694	12.6
161.09605	3.9
161.13281	5.7
163.03877	3.2
163.11208	8.0
165.12776	5.5
167.02249	2.0
169.10136	2.5
171.10229	3.9
171.11694	4.8
172.13329	2.3
173.09624	1.7
173.13235	7.8
175.11226	4.6
177.00768	2.8
177.12709	3.6
179.14326	1.7
183.11607	3.5
185.13239	2.2
189.11246	7.3
189.12743	2.6
193.12241	4.3
195.13777	1.6
197.13217	3.1
199.14919	2.6
201.16397	2.3
209.09503	1.8
213.16240	2.0
221.77376	1.9
227.12814	3.4
229.07448	2.0
229.14264	2.3
229.19615	3.1
231.08997	1.7
239.17989	3.8
247.20572	6.7
251.20084	2.8
254.74973	1.8
255.10133	3.9
255.65948	1.7
257.18903	10.1
269.10654	2.7
269.17538	2.8
275.20056	56.8
285.63724	4.8
291.19681	3.4
293.21014	15.5
299.38486	1.8
309.20761	2.3
323.18939	5.1
346.20566	2.1
349.17072	2.8
349.23892	17.9
350.23694	2.3
358.16434	3.5
367.18146	6.7
367.24973	33.4
368.24356	16.3
385.18863	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.3
53.03935	6.4
55.01873	3.0
55.05508	26.9
57.03418	4.2
57.07073	8.2
58.07663	2.3
59.05009	4.8
65.03907	3.4
67.05504	42.8
69.03430	5.3
69.07065	25.3
69.77122	15.8
71.04992	10.2
79.05500	39.3
81.07053	53.3
83.04977	7.4
83.08625	10.0
85.06536	7.3
88.77042	2.7
91.05480	58.2
93.07042	91.5
95.04965	40.5
95.08607	62.6
97.06537	15.5
98.21500	4.8
103.05440	5.4
105.07031	99.0
107.04965	2.7
107.08592	57.9
109.06504	12.8
109.10147	40.9
111.08086	4.7
115.05445	5.7
116.06268	4.1
116.37857	2.3
117.07016	25.2
119.07711	5.3
119.08583	100.0
120.56945	2.4
121.06481	9.2
121.10143	60.4
123.08089	9.6
123.11717	17.4
128.06229	13.1
129.07002	19.0
130.07779	10.3
131.08563	64.3
133.06477	4.7
133.10109	62.8
135.08052	16.5
135.11671	20.6
137.09619	6.4
139.11162	3.3
141.06987	9.7
142.07748	20.6
143.08551	38.6
144.09372	11.7
145.06471	4.5
145.10114	63.2
146.07272	6.2
147.08089	10.1
147.11671	22.4
149.09639	16.0
149.13258	5.5
154.07706	2.8
155.08556	12.6
156.09373	16.6
157.10138	56.8
158.10913	8.7
159.08069	4.7
159.11697	40.4
161.09618	45.6
161.13255	8.4
163.11192	6.3
165.07022	6.8
167.08559	7.0
168.09354	7.1
169.10127	26.0
170.10904	8.7
171.11676	29.4
172.08817	3.4
172.12523	3.7
173.09622	8.7
173.13263	27.1
175.11226	9.6
175.14835	15.2
177.12827	2.7
179.08582	10.7
180.09322	5.9
181.10213	14.0
182.10927	10.7
183.11708	23.3
184.12442	2.9
185.09691	5.8
185.13223	17.3
186.13733	2.7
187.11153	5.4
187.14789	14.0
189.12807	4.9
191.14337	3.7
193.10118	7.4
194.10898	4.6
195.11694	14.8
196.12520	5.6
197.13260	19.9
199.14774	17.2
201.12665	5.8
201.16327	6.6
203.14465	3.6
207.11673	5.5
208.12346	3.1
209.13255	23.5
211.14806	9.1
213.12776	4.8
213.16370	3.3
215.14171	3.5
219.11720	2.8
221.13274	3.9
223.14856	6.8
225.16440	6.5
227.14326	19.5
237.16429	5.5
239.17949	4.3
241.15854	2.9
241.19493	3.0
243.01624	2.5
247.14825	3.6
251.17867	3.7
255.17514	5.3
261.16257	2.7
265.19409	6.3
267.17557	2.6
269.19095	3.4
293.18872	3.5
349.25308	11.0
367.26242	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51262	7.8
53.98402	7.0
55.05500	29.9
57.07069	13.7
67.05505	53.1
69.07063	30.9
71.04981	9.5
71.08628	9.9
71.49684	10.2
72.24023	8.0
75.84062	8.5
79.05480	34.8
81.07063	60.8
83.08608	21.4
85.06548	17.0
91.05463	63.1
93.07047	75.7
95.04949	30.1
95.08607	77.8
97.06528	20.8
105.07038	89.0
107.08604	70.3
109.06512	17.3
109.10166	39.3
117.06995	30.7
119.08586	100.0
121.10131	51.5
123.08054	11.0
123.11677	20.7
128.06171	12.5
130.07741	11.2
131.08517	60.9
133.10126	67.2
135.08044	17.3
135.11688	20.5
137.09633	8.4
142.07808	16.4
143.08553	45.3
144.09322	15.2
145.10106	68.6
146.07295	8.3
147.08020	13.8
147.11667	27.3
147.24535	7.1
149.09624	16.0
155.08551	16.8
157.10126	50.7
158.10890	10.7
159.11694	47.0
161.09601	42.4
161.13235	16.9
163.11182	8.8
167.08514	9.8
169.10054	12.5
171.11703	31.0
173.13246	27.0
175.14854	21.0
179.08516	10.5
183.11736	26.5
185.09550	9.3
185.13220	19.0
187.14818	19.0
194.10904	11.1
197.13232	18.2
199.14824	12.7
201.16356	10.8
209.13219	21.5
211.14766	10.1
227.14343	19.3
332.79480	7.7
356.48126	7.0
367.26215	14.7
376.75299	7.9
376.89844	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	367.2843
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
53.03936	1.8
55.01884	1.3
55.05516	11.5
57.03436	2.1
57.07064	5.2
64.50098	1.0
67.05503	15.4
69.07069	19.7
70.01158	3.0
71.04982	2.1
71.08634	14.4
79.05484	9.1
79.08078	1.0
81.07055	23.2
83.04967	2.8
83.08622	9.9
85.06532	2.6
91.05473	8.1
93.07047	14.6
95.04970	4.3
95.08602	23.5
97.06541	4.4
97.10175	3.7
99.08091	13.2
105.07046	9.2
107.08595	13.1
109.06525	7.2
109.10148	10.0
111.04484	2.1
111.08072	3.6
117.07010	2.0
119.08589	11.9
121.06538	2.0
121.10134	9.8
123.08065	25.1
123.11720	4.4
125.05988	2.5
125.09617	2.4
129.06958	1.1
131.08575	4.8
133.10133	11.4
135.08049	7.0
135.11696	3.9
136.08766	1.2
137.09618	3.7
137.13254	2.8
139.07526	1.6
139.31763	0.9
145.10120	6.7
147.11693	5.4
149.09627	3.5
149.13329	5.4
151.11134	2.1
151.14775	1.4
153.12738	5.8
157.10114	2.5
159.11671	3.4
159.96170	1.2
161.09695	1.3
161.13284	3.4
163.11316	1.3
165.12749	2.1
167.14354	1.4
171.11656	2.0
173.13300	2.8
175.14891	2.1
177.12685	1.5
179.14308	32.9
181.12251	1.7
183.11754	2.1
189.16391	1.6
191.14371	1.9
193.15895	1.2
205.15865	1.8
207.17491	1.1
223.20575	1.9
224.17378	1.2
233.19283	1.1
251.20067	13.3
275.20010	2.8
281.04456	1.3
285.25897	1.4
293.21121	10.5
293.28384	3.9
303.26825	16.6
313.25098	1.5
321.27979	6.0
323.09174	2.9
331.26312	43.1
332.26575	1.3
349.27380	100.0
350.27817	2.5
366.15332	1.1
367.11954	2.3
367.18222	1.1
367.28314	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	368.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01879	10.7
55.05501	12.9
56.05041	9.3
56.96559	20.1
57.03431	20.2
57.07052	6.9
59.04995	10.6
61.02935	13.5
63.99014	6.5
67.05494	19.3
68.05005	6.1
69.03430	57.1
69.07072	11.5
70.06597	33.3
70.84553	16.5
71.01363	7.6
71.04999	9.0
72.08149	22.3
73.02922	9.5
74.06078	10.7
79.05499	14.0
81.03416	20.4
81.07045	19.4
82.06577	11.2
83.04979	26.9
84.04507	14.6
84.08147	32.3
85.02913	100.0
85.06527	13.2
86.09715	33.9
86.27467	7.0
87.04468	17.1
91.05479	18.7
93.07043	10.4
95.04971	23.2
95.23547	6.1
96.08139	7.1
97.02885	51.7
97.06540	8.6
98.97575	37.3
99.04463	20.1
99.08053	7.8
101.06023	8.2
103.05493	8.5
103.07612	10.2
105.07029	29.7
107.04958	11.6
107.08600	10.1
108.04471	7.6
109.02864	17.7
109.06512	13.4
109.10139	8.4
110.07191	12.4
111.04459	11.1
113.02368	10.6
113.05928	7.2
115.05479	7.1
116.98621	30.2
120.08119	19.6
121.06504	8.7
125.09631	11.5
127.03908	19.9
127.07566	86.6
128.98615	7.8
129.09135	12.3
129.10182	8.4
133.06461	31.7
134.47597	6.9
134.99695	11.7
135.04469	9.3
136.07527	8.9
137.05978	7.8
141.05376	6.4
143.10661	23.5
145.02902	10.2
145.06526	7.6
146.06023	25.8
146.99635	8.6
147.05511	9.1
151.03894	9.2
153.09041	12.9
156.07611	7.3
157.68631	6.8
158.99553	9.1
160.07567	8.5
161.05968	29.1
163.03920	8.2
163.09760	10.6
164.07048	6.3
166.08604	7.5
167.06993	7.4
168.21640	7.5
169.13454	7.7
171.10187	74.5
177.00668	20.6
177.04265	14.3
177.05627	11.7
178.08626	30.9
179.07071	7.5
183.06679	8.9
188.09261	8.3
189.11177	11.6
191.05698	34.2
193.05116	8.3
193.08583	28.3
206.04654	10.3
206.07959	58.3
206.10242	46.2
206.13890	34.9
207.06497	15.2
209.04491	15.3
219.01758	13.0
223.05159	6.3
231.07654	12.8
237.02869	42.9
266.09058	7.7
277.72321	6.6
279.08176	8.5
308.11307	19.5
311.09241	7.7
324.13397	12.6
363.09714	20.5
368.13123	59.9
368.16901	8.3
369.13550	9.8
381.10773	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	368.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04475	0.7
53.03938	1.8
55.01865	3.7
55.05513	18.7
56.05032	1.1
56.96559	1.1
57.03434	2.8
57.07064	1.0
58.06608	5.3
58.43759	0.8
60.04524	24.7
64.88971	0.7
67.05504	16.2
68.05027	1.4
68.54333	0.7
69.03433	4.2
69.07067	16.1
70.06583	2.8
70.80929	0.7
71.04662	0.9
71.04987	9.0
71.34223	1.5
72.04517	1.3
78.41501	0.8
79.05497	17.0
80.04993	2.5
81.03403	2.9
81.06602	1.3
81.07053	14.6
82.06576	1.0
83.04964	3.0
83.08620	8.7
84.08136	8.1
85.06548	4.0
86.09708	33.2
88.07622	5.2
90.90993	0.7
91.05476	8.9
91.43423	0.6
93.07046	14.9
94.06559	2.3
95.04966	6.5
95.08600	7.4
96.08125	2.9
97.06514	4.0
97.10168	16.2
100.07600	1.8
105.07036	6.8
106.06563	1.1
107.04969	3.7
107.08586	8.6
108.08099	3.0
109.06503	6.0
109.10121	3.7
110.06029	3.0
111.08088	1.6
112.07603	25.4
113.06003	3.5
114.09135	0.9
117.07027	4.1
119.08598	5.0
120.08076	1.1
121.06484	2.4
121.10156	7.6
122.09665	7.1
123.08080	4.1
124.07529	1.1
125.09644	11.7
126.09117	1.5
128.10715	34.2
129.06963	1.6
129.11060	1.0
130.08647	2.1
131.08553	4.5
132.08057	1.0
133.10124	2.5
134.09656	2.0
135.08063	4.9
135.11667	2.7
136.11194	1.8
137.09622	1.4
138.12764	2.4
143.08551	2.2
145.06548	1.7
145.10124	3.4
147.08032	1.8
147.10466	1.1
147.11598	1.4
148.11203	1.4
149.09628	1.2
149.13293	1.1
154.08632	8.9
156.10139	1.1
157.10158	1.3
159.11667	2.5
161.09595	1.3
169.10126	1.3
171.11703	1.4
172.09691	9.2
173.13257	0.8
177.12721	2.3
180.13823	12.9
183.22729	0.7
187.11118	2.4
189.11200	11.1
195.13795	0.8
205.12265	1.4
217.15767	1.6
219.13861	0.9
221.15408	2.4
222.14897	1.4
223.13293	4.8
236.04593	0.7
241.14474	1.3
272.20044	2.6
273.18472	5.5
290.21152	10.6
291.19464	9.5
308.22220	13.5
332.22290	2.1
350.23257	18.2
368.24319	100.0
369.24756	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	369.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80031	0.6
56.96576	1.3
57.02911	0.6
61.02911	0.9
67.05505	1.1
69.03408	2.3
69.78399	3.9
70.06570	1.1
72.93788	1.7
81.03396	1.2
81.07059	0.7
84.08124	1.0
85.02921	3.6
90.94817	1.9
97.02326	0.7
97.02874	3.2
98.97587	0.9
99.04427	0.7
107.04942	3.0
108.95837	0.8
116.98640	1.5
127.03900	0.7
128.98544	0.7
132.95816	1.5
136.07608	0.9
139.03912	0.8
146.99692	0.8
150.96925	0.9
158.97375	1.9
167.07115	0.7
168.95854	0.7
173.06589	0.6
176.98459	1.5
177.05418	0.7
185.04202	4.0
191.03406	0.7
206.05484	3.7
207.06290	9.1
212.98393	1.1
216.97971	1.0
234.98930	3.8
237.02873	1.5
266.99475	1.5
278.99585	0.7
302.99380	1.1
307.34845	0.7
321.00647	0.8
333.10712	0.8
351.08398	1.0
369.02673	4.1
369.11548	100.0
370.03510	1.9
370.11890	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87291	0.3
51.02371	0.3
53.03949	1.5
55.01884	0.4
55.05521	0.8
57.03447	0.6
65.03946	1.1
67.05503	3.6
69.03432	3.8
69.07079	0.6
70.06612	0.4
70.95944	0.8
71.01369	0.6
73.02935	0.6
77.03954	0.5
78.59280	0.3
79.05493	7.1
81.03407	1.6
81.07066	1.0
81.92691	0.3
83.01322	0.4
83.04974	4.5
84.08127	0.5
85.02906	2.8
86.09718	0.6
91.05472	1.7
93.03399	1.4
93.07050	1.3
95.01310	0.4
95.04966	19.4
95.08579	0.4
97.02898	5.2
97.06535	1.7
99.04484	0.4
101.43929	0.3
103.05465	1.6
105.04533	0.6
105.07036	1.5
107.04960	9.2
107.08655	0.4
109.02863	2.7
109.06526	1.2
109.10148	0.5
110.37973	0.3
111.04433	5.9
115.03911	0.4
119.04942	0.5
119.08580	0.4
121.02866	0.8
121.06477	2.0
123.00797	0.7
123.04421	5.0
125.02351	3.4
125.05984	2.2
127.03945	1.0
129.05486	3.0
131.04936	1.2
131.08551	0.4
133.02843	0.6
133.06453	0.4
133.10161	0.5
135.04411	100.0
136.04762	1.4
136.07568	0.7
137.06023	0.4
137.09633	0.9
139.03902	3.8
141.01831	0.4
147.04465	0.6
149.05984	3.3
149.09590	0.4
151.03862	3.4
151.11153	0.7
153.05475	7.7
157.04945	1.7
159.04424	0.7
161.06004	0.5
161.13223	0.4
162.51918	0.4
163.03940	0.4
165.05362	0.3
165.09079	0.4
167.07034	1.2
169.04982	0.3
171.06487	1.0
174.39294	0.3
175.06004	1.3
177.03889	0.7
177.05464	13.5
178.05823	0.4
179.07004	0.6
189.12723	0.6
191.14334	0.5
195.04787	0.6
195.06540	10.2
196.06802	0.5
203.05530	0.4
207.03470	0.4
207.06480	0.7
207.13739	1.0
213.07611	0.6
217.07086	2.1
250.13683	0.4
297.09631	0.6
299.07571	1.8
315.83810	0.3
351.10724	2.9
369.11560	10.1
369.15112	1.2
370.11935	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	369.1178
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
51.02368	0.3
53.03948	1.8
55.01872	0.5
55.05504	0.8
61.02915	0.4
62.15068	0.3
65.03922	1.3
67.05505	3.4
69.03436	3.8
69.07052	0.4
70.75819	0.7
70.76193	0.6
71.01323	0.5
71.04988	0.3
73.02902	0.8
73.78599	0.3
77.03944	0.3
79.05495	6.9
81.03412	1.4
81.07052	1.1
83.01349	0.7
83.04977	5.0
85.02899	2.4
91.05487	1.2
93.03410	1.1
93.07029	1.1
95.04964	18.8
97.02317	0.4
97.02891	4.5
97.06520	1.2
98.97607	0.3
103.05467	1.4
104.63724	0.3
105.03416	0.3
105.04561	0.3
105.07026	0.9
107.04959	8.4
109.02885	2.7
109.06515	0.8
109.79909	0.3
109.94348	0.3
111.04446	5.4
121.02846	0.7
121.06506	2.0
123.00790	0.5
123.04427	4.6
125.01437	0.6
125.02326	3.7
125.05989	1.5
129.05457	1.9
131.04904	0.8
135.04411	100.0
136.04793	1.1
136.07588	0.5
139.03897	3.1
141.01764	0.5
147.04463	0.5
147.06543	0.5
149.05969	2.9
151.03908	3.5
151.54846	0.3
153.05481	7.8
157.04973	2.2
159.04437	0.5
159.11659	0.3
161.05923	0.5
165.09038	0.4
167.07040	0.6
169.01411	0.4
171.06526	1.0
175.06039	0.8
177.05473	11.8
179.07108	0.5
189.12880	0.5
195.06526	11.1
196.06921	0.4
207.13809	0.7
213.07483	0.4
217.07039	2.4
229.13995	0.3
239.85027	0.3
245.06555	0.4
299.07693	1.2
351.10730	2.8
369.11566	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	369.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01935	1.1
55.05587	6.9
56.96642	41.9
57.03532	0.6
59.05086	0.6
59.79336	0.5
60.72586	0.7
63.80746	0.5
67.05585	2.5
69.07153	1.7
70.61190	0.5
70.85469	2.1
71.05053	0.7
71.08722	0.9
71.95357	4.6
72.96140	2.3
74.97677	1.5
79.05596	2.5
81.07156	2.9
83.05067	0.6
83.08729	5.3
84.96142	2.0
85.02982	1.2
91.05595	2.1
93.07157	2.0
95.05064	1.5
95.08718	2.0
97.06649	5.8
97.96409	0.6
97.96944	0.7
105.00248	1.1
105.07122	1.2
107.05074	0.8
107.08700	1.7
109.10236	1.2
110.97038	0.7
110.97717	1.4
113.87870	0.6
115.00790	0.8
119.08708	1.9
121.10264	0.9
123.01296	1.3
125.09689	0.8
125.71273	0.7
128.98587	4.3
131.08672	1.4
133.01826	1.4
133.99010	1.1
135.11763	0.7
137.02866	1.3
141.02361	1.8
143.08688	1.0
145.01900	0.9
145.10210	1.4
146.99637	5.4
147.03442	1.2
149.09741	0.7
153.02321	0.8
155.03949	2.3
159.03456	2.1
159.11784	1.1
161.01375	0.7
161.04929	0.8
163.02892	0.7
167.03896	0.9
169.01819	0.9
169.05434	1.4
169.10168	0.9
171.03429	2.0
171.11858	0.7
173.05003	2.4
173.13431	0.7
175.02959	0.8
183.06924	0.8
185.05016	2.6
187.02870	1.8
187.06465	1.1
189.04488	2.6
189.08182	1.7
191.06047	1.6
195.06975	1.4
197.08611	1.2
199.02707	1.1
199.06367	4.8
201.04324	0.7
201.07928	1.0
203.05890	3.8
205.07574	0.9
207.07199	0.8
207.09106	1.3
211.06593	1.8
213.07959	12.6
215.05998	1.0
217.07475	10.7
217.09464	0.7
218.04697	1.0
219.09128	1.5
221.08768	0.8
223.06548	1.0
223.10141	1.2
225.05806	1.0
225.07954	6.1
227.09802	0.7
229.07433	11.9
231.09047	26.0
235.08467	0.7
236.09613	1.3
237.08128	2.5
239.09579	5.8
241.11115	11.0
241.13245	0.8
241.19612	0.8
242.11670	0.7
243.08969	7.6
245.10564	0.7
247.08553	15.4
251.09482	8.9
252.09258	1.3
253.11284	2.2
254.10733	0.9
255.08978	5.2
257.07898	1.0
257.10477	5.8
258.07904	0.8
259.12192	17.6
259.14728	1.1
259.93704	0.6
261.10269	0.8
267.09064	0.6
269.10593	54.7
270.10950	1.9
271.12384	1.5
273.10229	3.1
273.13324	0.6
279.09808	0.6
281.10632	0.8
282.13882	1.2
287.11655	34.0
292.12177	5.0
307.09769	1.4
309.17499	0.7
310.13110	1.4
315.16290	1.4
323.18866	0.8
327.07910	0.8
333.17352	19.4
334.17441	1.0
339.18515	0.9
351.12109	1.9
351.18420	45.0
352.18845	2.0
368.42151	0.7
369.19519	100.0
370.19955	3.4
374.20056	4.4
386.36520	0.7
387.20529	96.9
388.21021	3.7
392.20670	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	369.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01868	6.2
55.05515	5.9
56.96562	1.0
57.03439	4.2
57.07064	1.4
59.04974	0.4
67.05510	6.4
69.03420	0.9
69.07069	5.6
71.08646	0.7
71.23771	1.2
79.05498	6.8
81.03412	0.9
81.07053	29.6
82.75907	0.5
83.04977	3.0
83.08620	2.2
83.17958	0.6
85.02905	0.6
85.06547	1.1
91.05479	4.1
93.07045	5.6
95.04962	1.7
95.08610	8.1
97.06525	3.1
100.24424	0.5
105.07040	4.5
107.08606	5.2
109.06512	10.8
109.10162	4.6
111.04445	17.7
111.08077	1.3
117.07002	1.1
119.08584	6.4
121.06483	1.0
121.10152	4.6
123.08092	2.6
123.11707	2.1
125.05982	5.9
125.09636	0.9
127.03913	0.6
128.06184	0.7
129.07016	0.7
131.05014	0.5
131.08566	3.0
133.10138	6.0
135.08044	2.7
135.11693	4.5
137.05975	100.0
137.09618	1.7
137.13248	2.3
138.06326	2.3
139.04156	0.5
139.07527	0.8
142.07735	1.1
143.08534	2.6
145.10117	3.0
147.08051	1.7
147.11691	6.0
149.09604	4.5
149.13286	1.2
151.07570	3.3
151.11197	1.2
155.08496	0.5
156.09380	0.5
157.10083	2.8
159.08083	1.0
159.11705	1.2
161.09627	5.7
161.13266	2.8
163.11171	3.4
163.14795	1.0
165.09113	2.3
165.12772	0.9
167.10667	0.7
171.11699	1.8
173.09589	0.5
173.13194	0.7
175.11186	5.3
175.14787	1.2
177.09108	0.8
177.12688	0.6
179.10637	2.1
185.13301	0.8
189.12723	1.3
193.12253	1.4
203.17938	6.1
205.19467	0.9
207.13777	0.9
209.09430	0.6
211.07825	0.6
213.16344	1.9
221.19054	2.3
221.35893	0.5
223.14809	0.8
231.17433	8.6
232.17963	0.7
241.15895	1.5
249.18500	11.5
250.18683	0.6
259.16837	0.5
271.41153	0.5
277.17987	54.6
278.18292	3.6
295.19055	19.2
295.22388	0.7
296.19540	0.8
309.97659	0.5
351.17673	0.4
351.21637	8.1
352.22009	0.7
369.16766	1.1
369.23096	4.0
369.42914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01875	5.6
55.05278	3.2
55.05512	38.9
56.42978	1.9
56.96561	10.2
57.03435	19.1
57.07082	13.1
59.04980	2.5
60.04512	2.3
65.03931	4.4
67.05503	75.8
69.03416	6.3
69.06741	2.7
69.07072	33.4
69.33425	2.0
70.81663	3.3
70.81982	2.8
71.04981	9.1
71.08626	32.1
79.05490	48.8
81.03427	18.7
81.07056	71.9
83.04982	20.6
83.08613	25.7
85.02911	4.7
85.06539	7.8
85.10184	17.8
91.05484	36.4
93.07044	51.1
95.04974	25.6
95.08601	38.1
97.06540	14.7
97.10175	21.0
99.08098	31.7
104.17405	2.3
105.07035	36.1
107.04955	8.9
107.08595	38.3
109.06514	10.8
109.10155	45.5
111.08076	5.9
113.09623	16.7
117.07008	7.8
119.08571	19.4
121.06512	3.1
121.10137	22.1
123.08057	7.1
123.11689	7.0
125.09622	17.3
129.07001	7.0
131.08557	11.0
132.99554	5.3
133.10117	25.7
135.04320	2.1
135.08087	2.8
135.11662	13.4
137.09639	5.0
139.11191	4.9
141.12733	3.0
142.07797	3.5
142.98007	4.1
143.08583	4.1
143.10626	2.7
144.99449	3.1
145.10132	11.3
147.11713	13.2
147.12668	2.1
147.55406	2.3
149.09625	6.8
149.13237	9.0
149.40555	1.9
151.11172	56.3
153.09079	2.8
157.10139	7.1
159.11703	4.4
161.09648	3.0
161.13274	15.8
163.11180	16.3
163.14832	4.3
165.12744	29.5
169.12230	5.6
171.11710	7.6
173.11734	14.1
173.13132	4.4
175.11079	2.5
175.14873	4.3
176.98596	6.7
177.12704	4.4
179.14287	13.1
185.13297	4.5
187.00696	3.6
189.11224	22.3
189.12738	5.2
191.00127	8.4
195.13872	3.5
199.14867	3.9
205.01654	3.7
207.13806	4.9
221.15524	2.1
227.12799	12.9
231.21109	3.5
233.41510	2.3
241.19582	7.3
245.13805	8.1
247.08667	2.9
249.22121	3.7
253.18001	5.9
259.20544	12.5
269.17560	3.6
277.21613	100.0
295.22656	88.1
351.25348	23.4
367.17920	2.5
369.19855	2.9
369.26630	16.8
370.26001	5.6
387.20236	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.4
55.01857	12.7
55.05279	4.6
55.05514	54.5
55.64153	2.7
56.96568	19.3
57.03440	22.9
57.07062	12.5
58.65407	2.8
65.03928	4.8
67.05145	4.9
67.05505	100.0
68.94122	2.8
69.03429	5.2
69.07076	40.0
69.77061	6.4
69.77481	15.0
71.04980	11.5
71.08627	39.5
72.04492	3.6
79.05036	3.4
79.05491	66.7
81.03414	19.6
81.06606	5.7
81.07058	97.5
82.07424	3.5
83.04970	18.9
83.08623	34.5
85.02908	4.4
85.06532	6.7
91.05488	47.2
93.06505	5.8
93.07048	84.3
95.04964	33.1
95.08608	52.8
97.06522	21.0
97.10165	13.7
99.08096	31.0
100.11245	2.9
104.33054	2.9
105.07035	46.4
107.04943	9.3
107.08595	50.7
109.06519	14.6
109.10149	37.3
111.08069	12.6
117.07029	15.8
117.54094	3.2
118.97986	2.9
119.08579	27.0
121.06561	4.5
121.10154	35.0
123.08057	10.5
123.11710	8.3
125.09609	16.1
129.06979	12.0
131.08585	19.6
133.10153	28.6
135.08083	4.8
135.11719	33.0
137.06000	6.2
137.09590	5.2
142.07809	3.9
142.98018	7.4
143.08546	9.5
145.10120	15.0
147.07993	4.7
147.11694	19.9
147.95477	3.1
149.09676	5.0
149.13271	20.1
151.11177	55.5
156.09305	4.4
156.99573	3.4
157.10132	8.8
159.11685	12.3
161.09676	6.3
161.13257	20.9
163.00598	3.3
163.11142	15.5
163.14835	4.8
164.16040	3.2
165.12737	10.5
171.11710	9.7
172.76012	3.1
173.11728	11.7
173.13234	6.4
175.11148	4.1
175.14847	9.0
177.12747	7.6
179.14307	14.0
185.13272	6.5
187.14827	3.8
189.11212	18.0
189.12755	8.4
191.00012	3.7
193.12231	3.4
195.11803	3.7
195.13821	10.7
203.14459	3.5
203.19914	3.3
203.27579	3.3
207.13809	5.6
208.40813	3.1
208.43181	3.3
221.15379	4.6
227.12782	11.4
229.07526	6.5
231.21004	4.5
237.07639	3.2
241.19492	10.8
245.13757	8.1
247.08659	4.4
253.18095	7.6
259.20578	14.3
269.10666	4.5
269.17435	25.7
277.18439	5.7
277.21628	90.2
295.22522	3.6
310.08347	3.2
349.17413	3.8
351.25577	28.9
367.17987	4.3
369.19757	7.4
369.24283	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01864	7.4
55.05512	24.0
56.96566	5.8
57.03444	14.7
57.07077	14.6
67.05505	48.1
69.03421	5.5
69.07070	24.7
71.04986	7.6
71.08618	6.9
79.05492	22.8
81.03403	9.1
81.07057	46.2
82.07400	2.1
83.04986	9.9
83.08620	11.7
85.02898	7.1
85.06544	7.5
85.10183	28.5
86.09676	2.0
91.05478	21.9
93.07044	28.8
95.04964	19.3
95.08602	29.3
97.06516	8.2
97.10165	8.7
99.04414	1.8
99.08085	10.3
100.11166	1.9
105.07035	24.9
107.04963	5.4
107.08592	19.4
109.06509	6.8
109.10159	32.3
111.08088	2.9
113.09632	32.1
117.06982	2.4
118.98024	8.7
119.08595	11.4
121.06539	2.7
121.10140	13.5
123.08050	6.9
123.11723	5.9
125.09589	4.5
128.06194	2.6
129.07002	3.8
130.97954	4.1
131.08597	11.3
132.99548	10.3
133.10118	20.1
135.11710	6.6
136.99049	3.3
139.11230	2.6
142.97989	7.7
143.08572	3.1
144.99541	5.8
145.09033	2.1
145.10132	7.9
147.01071	4.5
147.11671	11.6
149.09567	6.8
149.13280	3.8
151.11168	10.8
154.35158	2.1
155.08545	2.3
155.98755	2.3
156.99522	2.6
157.10139	2.5
159.11708	5.2
161.09599	3.7
161.13239	4.4
163.00562	5.8
163.11197	2.2
165.12758	34.8
168.99619	3.5
169.12221	6.0
171.01175	2.7
171.11649	2.9
173.11734	5.4
175.11208	3.6
176.98596	9.6
179.00105	3.2
179.14301	6.8
183.01134	4.1
185.13242	2.2
187.00664	4.4
189.02110	2.7
189.12781	2.6
191.00087	10.4
201.02132	4.0
205.01726	4.3
207.13808	3.5
233.15819	2.1
251.09976	1.9
259.20596	5.3
259.40158	1.9
277.21613	68.8
291.08856	2.6
295.22678	100.0
296.22897	2.6
333.24316	3.1
346.21606	2.3
349.11142	3.7
349.17010	4.1
351.12527	12.6
351.18576	2.0
351.25180	8.3
367.17905	3.8
369.13748	7.7
369.19717	3.5
369.26703	17.6
369.42770	4.8
370.26050	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
56.96551	1.3
61.02894	1.0
62.12710	0.8
65.12186	0.8
65.36717	0.7
67.05490	0.8
69.03423	1.5
69.46767	3.3
69.47202	3.2
85.02906	2.6
93.90995	0.8
97.02874	2.1
97.70490	1.0
111.99091	0.7
116.98674	0.9
143.22906	0.8
184.88213	0.9
185.04213	25.0
190.05600	1.7
208.05809	100.0
209.04488	2.1
218.08722	2.4
219.01692	1.1
237.02823	0.8
244.06693	7.5
255.04088	0.9
370.11038	69.0
371.10989	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	370.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01865	4.4
55.05514	19.5
56.05027	2.5
57.03437	2.8
57.07087	1.1
59.05006	1.4
60.04526	42.3
67.05505	24.3
68.05040	7.9
69.03429	3.0
69.07065	18.6
69.61572	1.8
69.61988	5.3
70.02921	1.0
70.06594	2.1
71.04990	4.1
71.08636	14.4
72.04525	1.5
79.05498	14.6
80.05020	6.6
81.03427	5.8
81.07054	14.5
82.06580	1.4
83.04970	11.2
83.08618	11.5
84.04510	1.0
85.02889	1.4
85.06512	1.3
86.06055	1.1
91.05476	6.2
93.07034	13.1
93.32420	0.9
94.06565	1.5
95.04977	11.9
95.08604	15.1
95.66197	1.0
97.06528	8.1
97.10184	11.5
99.08088	10.2
100.11256	38.6
100.11910	1.9
105.07021	5.7
106.06528	1.2
106.07343	1.1
107.04956	3.0
107.08585	7.0
109.06530	1.5
109.10146	11.6
111.08081	3.1
112.11255	5.2
117.07014	2.0
119.08575	4.6
121.06484	1.7
121.10141	7.2
123.11719	1.3
125.09650	6.4
126.12814	2.8
128.14340	10.3
130.12288	6.4
131.08574	2.0
133.10141	3.4
135.08116	1.3
135.11720	3.8
137.09564	2.3
138.12779	17.6
139.11182	18.2
140.14313	1.8
142.12274	4.6
145.10107	2.7
147.11745	1.5
149.09590	2.8
149.13223	1.3
151.11192	16.5
152.11607	1.2
154.12276	6.3
156.13841	20.4
157.10168	1.6
159.11707	2.8
161.09599	1.3
163.11163	1.9
165.12785	2.7
168.13857	1.1
170.15405	7.5
172.13345	2.4
173.11739	6.1
173.13112	1.8
175.11212	1.3
177.12727	3.3
189.11253	2.7
191.14316	1.4
192.13843	4.3
193.12305	2.4
195.13774	4.0
196.13303	1.6
198.14905	6.2
210.14908	4.2
211.07616	1.0
211.13365	1.7
223.13321	1.5
226.89659	1.5
234.14865	1.5
247.20499	1.7
257.19043	1.5
274.21713	2.0
275.20032	7.6
282.24652	1.1
292.22690	8.6
293.21085	40.9
310.23807	5.2
334.23740	3.1
352.24869	16.8
353.25232	1.4
370.25885	100.0
371.14877	3.9
371.26163	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	371.0975
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
56.43262	0.1
57.56063	0.1
65.03928	0.2
68.02725	0.1
69.03413	0.4
70.06590	0.2
70.73866	0.3
70.74197	0.1
73.15844	0.1
79.05477	0.4
81.03402	0.4
81.07050	0.3
82.04199	0.2
85.02900	0.8
86.90434	0.1
93.03384	0.2
93.07069	0.2
93.39675	0.1
94.95670	0.1
95.04987	0.2
97.02866	0.4
105.03355	0.2
107.04961	1.5
107.08577	0.1
108.07767	0.1
109.02861	0.4
109.06504	0.2
110.03636	0.4
120.02084	0.3
121.02854	0.9
123.04383	0.2
125.06000	0.1
126.05506	0.1
127.03887	0.2
135.04417	2.1
137.05975	0.1
138.03108	1.2
147.06505	0.1
148.01538	0.2
149.02339	7.9
150.03134	0.8
153.05463	4.4
156.21165	0.1
163.03900	3.7
165.05486	1.9
166.02606	1.2
181.04971	1.4
188.96211	0.1
194.02109	15.9
195.02451	0.5
199.09445	0.1
207.94617	0.1
209.04443	100.0
210.04747	2.1
292.71167	0.1
305.10370	0.2
371.09216	1.1
371.13187	0.6
371.17322	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	371.0973
Annotation	Fraxin
Peak:m/z	Relative Intensity
55.05501	0.2
56.96558	0.6
57.00997	0.3
58.06593	0.5
61.02919	0.3
66.78330	0.4
67.05505	0.2
69.03407	1.0
70.06588	0.4
71.48477	0.3
71.48910	0.5
73.02888	0.4
73.04743	0.4
79.05477	0.5
81.03405	0.5
81.07065	0.3
83.04961	0.3
84.08141	0.2
85.02901	1.9
85.65311	0.2
86.09728	0.4
91.05814	3.8
97.02887	1.4
98.97570	0.7
101.05999	0.8
107.04973	1.8
109.02853	0.4
110.03662	0.3
111.04411	0.9
116.98586	0.4
120.01994	0.3
121.02861	1.3
127.03905	0.5
129.05475	0.7
133.02806	0.4
134.99672	0.4
135.04385	1.3
137.05962	0.4
138.03096	1.1
146.06017	0.3
147.04405	0.5
147.06471	1.2
148.07561	0.5
149.02336	8.3
150.03090	1.0
150.09038	0.2
153.05463	4.2
163.03902	3.5
164.04321	0.2
164.06998	0.3
165.05496	1.7
166.02615	1.8
177.01909	0.3
179.03377	0.6
181.04991	1.3
194.02109	18.5
203.03854	0.4
208.05827	0.7
209.04445	100.0
210.04785	2.2
210.11249	0.3
212.55515	0.3
237.02795	0.5
268.97638	0.6
285.00946	0.9
303.01816	0.6
307.16324	0.3
355.07059	0.7
371.09686	1.1
371.13126	1.1
371.17078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0976
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
53.03945	0.5
55.01867	0.6
55.05500	0.7
56.05026	0.2
56.96566	0.3
57.03422	0.9
57.07056	0.4
59.05011	0.2
61.02920	0.3
65.03931	0.5
67.05514	0.9
69.03430	1.9
69.04535	0.3
69.07057	0.7
69.83033	1.1
70.06590	1.0
71.04976	0.6
71.08622	0.3
72.08150	0.5
73.02930	0.2
79.05496	1.6
81.03426	1.7
81.04528	0.7
81.07055	0.8
83.04963	1.0
83.08601	0.3
84.04505	0.3
84.08161	1.0
85.02542	0.2
85.02916	2.1
85.06546	0.3
86.09684	0.9
91.05397	1.0
93.07049	1.2
94.04167	0.3
95.04985	2.0
95.06084	0.5
95.08608	0.5
97.02895	1.0
97.06539	0.4
98.97559	0.3
99.04468	0.5
101.06025	0.3
103.05474	0.7
105.07024	0.8
107.04964	4.3
107.08609	0.4
109.02876	1.6
109.06503	0.7
110.03695	0.3
110.06046	0.2
110.07174	0.2
111.04436	0.7
111.08106	0.3
117.07037	0.2
119.04947	0.3
119.08596	0.5
120.08035	0.2
121.02866	1.1
121.06509	0.6
121.10152	0.3
122.03575	0.2
123.04442	0.5
123.08051	0.3
125.02385	0.9
125.05956	0.4
125.07127	0.6
127.03934	0.7
129.05409	0.3
129.07005	0.3
131.04921	0.7
131.08545	0.6
135.04440	2.5
135.08139	0.4
136.07597	0.2
137.05948	1.6
138.03114	1.5
138.05478	0.2
139.03888	0.7
143.08139	0.8
145.10086	0.4
147.04424	0.3
147.06509	0.7
147.07990	0.2
147.11739	0.3
149.01184	0.4
149.02356	8.0
149.06013	0.9
150.03102	0.7
151.03920	0.5
151.07549	0.3
153.05467	5.0
153.09152	0.2
159.04446	0.4
159.08020	0.3
159.11658	0.3
161.05975	0.5
163.03923	4.6
163.05247	0.2
163.11195	0.8
165.05489	2.6
166.02660	1.0
167.07085	1.4
175.03778	0.2
177.05525	1.3
179.07042	0.3
181.04916	1.2
187.04019	0.3
187.07494	0.3
189.05519	0.4
189.11382	0.2
191.05331	0.2
191.06955	0.2
191.10670	0.2
191.14319	0.3
192.07864	0.3
193.08574	0.4
193.12387	0.2
194.02127	9.4
195.02455	0.3
195.06505	0.3
202.02614	0.3
209.04457	100.0
210.04767	2.7
217.04942	0.4
217.08615	0.7
219.08131	0.3
223.13333	1.0
235.07507	0.3
249.09171	0.3
263.07245	0.8
281.08200	0.3
285.07770	0.3
290.08258	0.3
309.11243	0.3
321.11401	0.5
339.11996	0.3
353.13919	0.5
355.07062	0.3
371.10727	0.6
371.16656	3.2
371.21765	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
55.05494	1.1
56.96536	1.2
57.90160	0.3
65.03934	0.9
67.05498	2.3
69.03403	0.9
69.07060	0.7
70.27216	0.7
70.27630	1.1
71.04977	0.4
79.05489	4.4
81.03396	0.8
81.07066	1.9
83.04976	0.8
83.08643	0.4
84.95761	0.3
85.02880	0.6
85.65443	0.3
88.88234	0.4
89.03918	0.7
91.05470	5.4
93.03345	0.6
93.07046	1.8
95.04945	1.4
95.08600	1.3
97.02914	0.3
97.06527	1.7
97.10173	0.8
101.06050	0.6
102.04675	0.9
103.05470	3.2
105.03413	1.9
105.07027	10.0
107.04953	3.1
107.08566	0.7
109.06497	1.1
109.10135	1.6
111.04445	0.4
115.05450	3.5
116.06253	1.8
117.07003	0.4
118.04142	1.0
119.04143	0.7
119.04947	10.8
119.08550	1.0
120.05720	0.3
121.02938	0.4
121.06462	0.7
121.10123	0.6
123.04420	1.0
123.08046	0.6
125.09612	0.4
127.03925	0.5
129.06992	0.6
130.04172	0.6
131.04938	4.0
131.08553	0.5
132.05693	0.9
133.02847	14.0
133.06491	11.1
133.10138	0.4
134.07245	1.4
135.04378	0.7
135.08011	1.0
137.02611	0.3
137.05983	3.6
143.04897	1.1
144.05695	1.3
145.06456	0.8
145.10101	0.6
147.04407	20.7
147.06334	0.8
147.08058	2.3
149.02322	2.1
149.05975	0.9
150.03108	1.0
151.03903	0.7
151.07542	5.0
153.05440	0.5
157.10049	0.6
161.05960	9.4
162.06746	1.8
163.03893	4.5
163.07535	3.4
163.11043	0.4
164.04503	0.4
165.05479	11.8
165.09143	1.1
167.07037	1.3
171.04442	0.5
172.85196	0.4
173.11769	0.4
175.03967	0.6
175.07500	1.5
177.01877	0.8
177.05429	0.6
177.09070	0.8
178.02608	1.4
178.06248	3.7
179.03421	4.1
179.07024	11.5
180.07619	0.5
189.01775	0.4
189.05447	0.4
191.03419	1.2
191.07172	0.4
193.04962	7.8
193.08601	9.5
194.09378	100.0
195.09886	2.0
203.03397	4.0
205.96275	0.4
209.15344	0.5
217.04930	3.4
233.09462	0.4
255.84456	0.4
279.06592	0.3
311.09186	0.4
311.12732	0.3
336.76431	0.4
339.08603	0.9
343.15353	0.4
369.40369	0.4
371.11212	15.4
371.15036	1.0
372.11374	0.5
378.11917	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	371.1337
Annotation	sinapaldehyde glucoside
Peak:m/z	Relative Intensity
53.03949	7.6
53.50171	1.5
54.78068	1.5
55.01862	2.4
55.98428	1.5
57.03424	5.2
57.80347	1.3
59.05011	3.9
65.43771	1.6
67.05497	6.7
68.99761	1.6
69.03435	16.4
70.84267	3.7
71.01356	4.8
71.04973	4.0
71.80797	1.8
73.02905	1.7
77.55398	1.9
79.01880	1.5
79.05495	23.0
81.03418	15.7
81.07047	3.2
83.04982	4.9
83.47565	1.4
85.02918	17.7
91.05466	10.2
91.59547	1.7
93.07031	5.8
95.04976	33.1
97.02902	9.5
97.06514	2.3
99.04444	3.1
103.05474	10.5
103.16212	1.4
105.04496	2.2
105.07018	3.5
107.04961	100.0
109.02886	43.3
109.06509	7.3
111.04426	4.9
119.04941	3.1
121.06512	17.5
122.18959	1.5
123.00780	3.3
123.04419	14.1
125.02364	10.1
125.05938	2.5
127.03918	11.2
129.05441	2.1
131.04924	5.4
133.02840	2.9
135.04422	24.5
137.05983	4.9
138.01343	1.8
139.03911	21.3
139.07556	2.2
141.05453	4.1
147.04420	2.2
149.05980	22.2
151.03903	37.1
153.05461	6.9
157.05008	2.0
159.04399	5.1
165.05492	72.7
167.07051	21.9
177.05478	45.6
191.07028	4.7
193.05057	2.8
195.06532	23.1
206.41922	1.9
209.08087	31.2
223.54857	1.6
227.09187	4.7
274.38364	1.8
277.08197	1.9
339.11145	1.8
369.15417	1.7
371.16495	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	371.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01866	2.8
55.05492	2.5
57.03429	4.2
58.21637	2.0
59.04990	2.6
60.27802	1.8
62.64662	1.7
67.05486	4.4
69.03428	16.0
71.01340	4.1
71.04970	5.2
75.01383	1.8
79.05498	20.6
81.03426	13.3
81.07042	4.0
83.04974	3.7
85.02914	18.1
86.63953	1.7
87.27857	1.7
90.45444	1.7
91.05478	7.0
93.07027	7.6
95.04971	37.9
97.02869	6.8
98.21642	3.4
99.04458	4.9
103.03934	2.9
103.05463	5.5
105.07008	4.1
107.04957	100.0
109.02890	44.5
109.06523	7.1
111.04480	4.7
119.04903	3.1
121.06497	16.2
123.04446	14.8
125.02319	11.5
125.05969	3.9
127.03909	13.2
129.05522	2.3
131.04930	5.4
133.02812	5.0
133.10098	2.5
135.04424	24.4
136.04745	3.9
137.05972	5.4
139.03905	26.2
139.07536	3.1
141.05473	3.8
149.05983	20.3
151.03909	36.9
153.05437	10.9
159.04463	3.5
165.05482	62.8
167.03398	2.1
167.07028	23.5
177.05470	40.9
183.06595	2.6
183.73483	1.9
191.07091	2.4
191.14252	2.6
193.05028	4.3
195.06516	24.3
203.93144	2.1
208.13318	5.3
209.08093	27.4
209.13669	8.9
209.15286	3.5
227.09105	4.5
229.29971	2.0
321.09805	1.9
339.10764	3.7
358.65732	2.0
371.13062	4.3
372.62732	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	371.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77487	0.5
55.05501	1.6
56.96564	2.7
57.03419	0.6
57.07060	0.7
58.06588	0.6
61.02923	1.0
67.05491	1.6
68.49884	0.4
69.03423	2.3
69.41032	3.5
70.06596	3.4
71.05000	0.5
71.08631	0.8
72.08154	1.1
73.02917	0.9
73.04742	1.3
79.05460	0.9
81.03431	1.2
83.04988	1.0
84.04497	1.3
84.08139	2.0
85.02910	6.4
89.28802	0.5
91.05815	7.8
93.03697	0.7
94.06575	5.2
95.04957	0.5
97.02871	2.5
98.97577	3.1
99.04469	1.1
101.06023	1.7
106.06541	1.9
107.04940	1.1
108.08167	0.5
109.02905	0.6
110.97624	0.7
111.04444	1.6
116.98621	3.1
119.04919	0.9
122.06046	4.3
122.06887	0.6
122.07164	0.5
127.03913	1.8
128.98615	2.0
129.05473	1.8
129.10257	0.7
134.99643	2.3
136.06137	0.6
136.07620	0.7
137.05983	3.0
138.05539	0.7
145.04971	1.1
146.57831	0.5
146.99634	2.1
147.04440	2.3
147.05481	0.5
147.06503	2.9
149.02287	1.0
150.05501	100.0
151.03929	0.7
151.05829	0.9
151.68280	0.5
152.07147	0.7
153.05415	1.2
153.10197	1.3
161.01163	1.1
163.03868	0.9
165.00781	0.6
168.06561	2.6
170.99603	0.7
173.02950	0.5
177.00751	1.4
177.05457	0.5
179.07025	0.7
180.06432	0.6
181.09914	0.5
183.05058	0.5
186.44896	0.5
189.00636	0.8
192.10239	0.5
194.02090	1.8
197.90417	0.5
208.09912	0.5
209.04478	9.2
209.09201	26.1
209.98830	0.6
219.01733	1.7
219.05099	0.6
223.58264	0.5
224.97102	0.6
227.99556	0.7
235.14494	0.5
236.06337	0.7
237.02800	5.6
244.04181	0.7
244.99831	1.2
245.06796	1.4
253.03838	0.6
255.03918	1.5
256.99747	0.5
268.97794	1.2
271.05066	0.5
272.08652	0.5
285.00974	2.7
303.02075	1.4
355.07034	2.7
371.02579	0.8
371.06461	1.2
371.13611	1.9
371.19211	0.7
371.24005	1.1
372.10403	2.8
381.10086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01874	1.3
55.00206	1.1
55.01861	1.3
59.76083	1.2
61.02923	3.2
65.97127	1.2
69.03427	11.3
69.07066	1.8
69.71922	3.1
69.72344	5.8
81.03414	6.8
81.07064	3.9
83.01398	1.3
83.04977	1.9
85.02906	34.8
89.79046	1.4
91.03957	1.8
91.05457	2.0
93.07045	2.2
95.04954	2.3
95.08585	3.9
97.02869	8.0
99.04443	1.5
102.09863	1.3
105.07025	3.2
107.04958	1.5
107.08598	8.9
109.02893	2.1
109.06526	5.5
109.10134	2.1
119.08548	2.4
121.06490	2.1
121.10146	9.3
123.08060	4.6
123.11716	2.9
127.03927	4.4
133.10103	5.4
135.08044	4.3
137.09607	12.0
145.04982	6.8
145.10057	1.4
147.11696	2.5
149.09593	6.5
149.13277	5.2
151.11177	25.7
165.12750	39.9
167.07004	7.6
173.13277	2.0
175.07506	1.6
187.07550	1.7
191.14323	12.5
193.15964	2.7
206.43126	1.4
209.15364	100.0
210.15781	2.0
212.51393	1.5
232.51871	1.4
242.03407	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
54.78336	0.5
55.01832	0.7
55.05468	0.6
57.03391	0.5
57.07036	0.5
65.03881	0.7
67.05444	1.1
69.03364	1.4
69.06985	1.8
70.53752	1.8
71.04916	0.7
79.05416	1.6
81.03370	1.0
81.06973	2.5
85.02834	1.2
86.09673	0.7
91.05393	2.2
93.06955	2.3
95.04931	1.3
95.08516	1.9
97.02826	0.7
97.06436	2.4
103.05410	0.9
105.07020	2.6
107.04861	2.5
107.08510	2.1
109.06420	1.3
109.10094	1.3
110.19445	0.5
111.04400	1.1
115.05354	0.8
119.04875	1.2
119.08523	1.1
121.06441	1.4
121.10078	1.5
123.07972	0.5
129.05362	0.8
131.04930	2.7
133.10016	0.9
135.07861	0.7
135.11565	1.0
137.05916	2.6
137.09537	0.9
145.06400	0.9
145.10028	1.0
147.04367	1.0
149.05939	0.6
149.09506	0.7
151.03758	0.8
151.07434	1.0
159.07954	0.8
161.05882	1.1
163.03865	0.7
163.11086	2.2
165.05467	1.2
165.06934	1.4
166.07689	1.0
167.06941	2.4
175.07426	1.6
177.05377	0.8
177.06873	0.9
178.07693	2.5
179.06947	1.4
179.08507	1.7
181.04875	0.8
181.06378	2.0
181.10074	0.6
187.07443	0.8
189.06940	1.4
189.08852	0.7
190.07683	0.7
191.06865	0.6
191.08484	0.6
191.14273	2.9
192.07761	1.7
193.06541	1.2
194.07245	3.9
195.07947	1.6
202.07784	0.7
203.08467	0.8
205.06447	2.0
205.10077	0.9
206.07249	3.5
207.08081	3.5
208.08693	0.9
209.05998	0.8
209.07843	0.6
209.09644	1.3
209.15216	1.0
210.06805	0.8
211.07408	0.8
215.08479	1.1
218.07195	2.4
219.08034	3.1
220.05170	1.0
220.08907	0.6
221.06032	3.7
221.09503	1.9
222.06789	5.2
223.07491	4.4
224.08318	3.1
225.09073	0.8
227.12721	1.6
231.07954	1.0
232.08852	1.4
233.05911	1.5
233.09532	1.9
234.06718	4.7
234.10312	1.2
235.07527	5.9
236.08327	4.3
237.05347	2.4
237.09131	4.0
238.09674	0.9
239.07016	0.9
240.07663	0.8
241.19354	0.6
245.09825	0.6
247.07515	1.4
248.08345	1.2
249.05298	1.4
249.09122	14.0
250.06241	4.5
250.09889	3.3
251.06918	4.3
251.10751	0.8
252.07813	10.2
253.08473	2.3
260.08255	1.3
261.09055	2.0
263.07001	3.2
264.07813	5.3
265.05414	1.0
265.08594	18.3
265.12000	1.4
266.05832	0.7
266.09329	10.6
267.09909	1.6
269.08008	0.7
277.08612	4.0
278.09262	3.2
279.06485	1.9
279.09818	1.1
280.04285	0.8
280.07343	13.0
280.10730	1.8
281.08023	5.4
281.11304	0.7
289.08530	0.8
292.07120	1.0
292.10815	0.6
293.08093	3.8
293.11682	11.2
294.08743	1.9
294.11896	0.8
295.09650	4.5
296.10437	9.3
297.11047	0.9
309.11185	2.5
310.11960	1.3
311.09171	1.2
311.12845	10.3
313.10522	1.1
321.07678	0.8
321.11215	7.7
322.11792	0.7
324.09802	2.2
325.10767	1.2
325.18610	0.6
339.12280	100.0
340.12766	11.9
341.13669	0.8
353.09979	0.8
353.13797	1.6
356.12320	0.8
371.14935	42.4
371.43695	0.5
372.15234	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	371.2063
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03934	2.4
55.01858	2.6
55.05512	8.0
56.96555	2.3
57.03418	3.7
57.07060	3.4
59.04995	1.7
61.02918	1.6
65.03928	2.1
67.05503	5.7
69.03429	21.8
69.07056	3.9
69.54325	2.1
69.54740	5.2
70.06579	4.1
71.01344	1.9
71.04977	2.8
72.08122	3.9
73.02920	1.6
77.14692	0.9
79.05505	6.0
81.03421	9.3
81.07075	6.1
82.06572	2.1
83.04984	15.8
83.08605	5.1
84.04543	1.1
84.08141	4.2
85.02904	15.8
85.06538	3.9
86.09698	4.7
87.04456	1.9
91.05426	8.4
93.07053	6.6
94.06541	1.2
95.04972	7.8
95.08589	8.7
97.02885	9.1
97.06523	2.8
98.97572	3.3
99.04451	1.7
99.08102	1.6
100.07616	4.1
100.11246	11.3
101.02370	1.7
101.03490	1.8
101.05988	1.7
103.05434	2.0
105.07032	5.9
107.04955	11.3
107.08592	19.0
109.02872	10.8
109.06511	13.1
109.10139	2.4
111.04446	5.6
111.08074	10.2
112.07585	2.3
115.05431	1.2
117.07027	1.9
119.08628	6.1
121.06515	3.7
121.10139	15.5
123.04403	1.9
123.08048	3.9
123.11709	3.0
125.02345	1.9
125.09627	20.3
127.03929	7.1
128.07104	5.2
129.05481	2.5
129.06981	1.0
129.10243	1.6
131.04922	2.9
131.08551	6.9
133.02835	1.2
133.10132	7.4
135.04385	5.6
135.08058	22.2
135.11681	5.7
136.08897	1.5
137.05974	3.8
139.03874	4.2
140.07031	1.6
143.08591	2.2
145.04926	2.9
145.10109	5.6
147.04442	1.2
147.06514	2.9
147.11687	3.3
149.05988	3.6
149.09628	12.6
149.13287	5.4
150.10341	3.1
151.03909	3.1
151.11209	2.3
153.09122	8.6
158.10924	5.4
161.05966	1.4
161.09642	2.0
163.03899	1.1
163.07626	1.3
163.11136	5.6
163.14838	8.3
164.06993	2.1
165.05505	5.5
165.12799	2.3
167.07036	10.3
167.10684	2.3
173.09555	1.0
173.13268	26.4
174.13602	1.2
176.11978	1.9
177.05484	9.4
179.03397	1.5
181.04973	1.1
182.15395	11.5
191.07088	1.2
191.14301	100.0
192.14607	2.5
193.04889	3.8
193.08609	1.1
195.06491	1.8
209.04405	1.4
209.07991	4.3
209.15355	94.2
210.14841	14.6
215.36284	1.2
217.08565	1.6
223.85538	1.0
227.17520	2.7
237.02852	1.1
244.20268	3.8
313.10449	1.4
336.22659	2.3
337.21100	5.8
339.12115	5.3
353.13770	1.7
353.19449	4.5
354.23807	9.0
371.11166	4.4
371.16620	27.7
371.20703	20.1
371.26453	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.3
57.07069	0.9
65.03925	1.1
67.05508	2.5
69.03423	3.6
69.07047	1.7
69.86346	4.1
76.74078	0.8
79.05482	2.9
81.07043	5.2
83.04949	1.1
85.02885	2.3
91.05445	5.5
93.07058	3.3
95.08631	1.1
97.06535	0.9
105.07034	5.5
107.04955	2.9
107.08592	15.3
109.06526	7.2
109.10145	3.9
110.94509	0.8
115.05479	1.4
117.06978	2.0
119.08600	1.9
121.06428	0.9
121.10126	11.3
122.07279	3.8
123.08060	2.1
125.14880	0.8
131.04932	3.6
131.08563	1.5
132.05675	1.2
133.10127	100.0
134.10509	1.3
135.08054	10.2
135.11693	1.5
137.09616	53.1
145.10147	1.2
147.11656	1.4
149.05934	1.7
149.09669	1.4
149.13255	11.1
151.11172	1.1
152.37209	0.8
154.80196	0.8
161.06084	0.9
163.14835	2.0
167.07043	3.2
173.13266	3.6
177.05421	1.9
179.07091	0.9
180.07855	2.4
187.03943	1.3
191.07001	1.1
191.14308	36.4
192.07777	7.8
209.15379	6.5
321.07657	1.2
338.39716	0.8
341.10413	0.8
347.04224	0.9
371.15924	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.4
55.05504	10.3
62.52647	2.0
67.05489	7.4
69.03426	10.4
69.07068	5.0
69.41103	11.2
69.41525	7.5
69.56544	2.5
70.06602	3.1
77.02821	2.3
79.05492	7.9
81.03414	5.7
81.07064	9.9
83.04987	4.0
83.08640	2.4
84.08152	4.5
85.02891	8.1
86.09708	4.4
91.05488	8.2
93.07042	7.3
95.04959	6.2
97.02898	2.8
100.11271	6.3
105.07021	8.3
107.04957	8.9
107.08593	44.3
109.02880	3.3
109.06519	6.7
109.10153	6.9
110.23379	2.1
111.04435	4.1
112.93803	2.6
117.07008	4.6
119.08532	2.8
121.06520	4.1
121.10122	15.5
122.07301	4.0
125.09646	3.3
129.07043	4.3
131.08603	3.8
133.10129	100.0
135.04402	4.5
135.08061	20.5
137.05971	8.6
137.09616	47.1
144.13852	5.5
147.11702	7.1
149.13326	11.1
151.03915	3.0
153.05492	3.3
165.05461	4.9
167.06995	6.5
173.13249	6.6
177.05463	4.3
179.06995	3.6
180.07956	2.4
182.15395	4.8
191.14308	42.1
192.07846	3.5
209.15327	12.4
210.14893	5.6
217.08560	4.9
235.07565	2.3
243.06421	3.2
277.08719	2.3
298.74103	4.9
351.39102	2.6
353.41302	2.6
355.22632	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	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01875	5.0
55.66117	4.6
60.48502	4.3
68.12135	4.5
69.03431	18.6
69.07053	5.3
69.94727	20.6
79.05487	7.3
81.03421	15.2
81.07047	6.7
83.43379	4.1
85.02912	36.5
91.05501	5.0
95.04986	5.9
95.08585	7.4
97.02878	13.1
98.21577	4.8
102.08872	4.3
102.80565	4.1
105.07021	5.7
107.08614	34.6
109.06509	9.7
119.08546	5.4
120.34985	4.3
121.10146	12.6
123.08092	8.4
127.03903	7.7
129.43117	4.7
133.10147	11.3
135.08069	6.9
137.09616	25.5
145.04985	7.2
149.09608	10.9
149.13243	8.7
151.11214	26.5
165.12782	56.8
171.64247	4.8
173.13290	6.7
191.14259	22.9
209.15356	100.0
292.87311	4.8
335.56937	4.6
380.09723	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99167	9.6
54.00509	10.9
56.28749	9.6
62.15389	11.2
63.14801	10.3
69.30979	100.0
98.21540	22.6
107.08572	14.5
121.10155	13.9
123.12107	10.4
133.10144	76.4
137.09621	50.1
191.14297	27.1
303.59061	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.8
59.04986	10.9
67.05512	14.2
69.03425	19.2
69.07066	11.9
69.56133	61.1
70.24011	10.2
79.05489	15.8
81.07060	13.0
83.04950	12.7
83.08644	13.2
85.02917	20.6
91.05478	16.1
93.07041	20.7
95.04957	27.5
95.08599	23.2
97.06577	13.5
100.11243	11.7
103.05485	11.3
105.07026	14.2
107.04966	61.0
107.08601	37.0
109.02896	14.4
109.06506	15.0
109.10164	17.3
119.83333	7.8
120.75816	7.8
121.06514	24.7
121.10115	45.5
123.04518	9.3
125.09658	11.3
131.08548	8.5
133.10181	9.5
135.08058	17.2
135.11703	9.1
135.26782	8.1
137.05991	12.4
137.09616	17.3
139.03874	8.1
147.04457	9.1
147.11647	12.3
147.40352	7.8
149.05971	28.5
149.09641	12.6
151.03941	26.1
151.07597	23.1
151.11183	100.0
153.94449	8.4
163.14859	17.5
165.05475	96.1
165.12804	11.9
167.07108	22.2
173.13268	14.0
177.05490	40.3
182.15425	9.2
191.14316	77.8
196.93906	7.3
209.08121	20.6
209.15326	63.6
217.08704	10.7
339.12103	11.8
355.98529	8.9
371.14893	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01871	1.9
55.05500	3.5
57.03436	2.4
57.07067	2.0
61.02921	2.3
65.03925	2.1
67.05504	4.6
69.03434	11.3
69.07053	1.7
70.06593	3.1
71.04992	4.8
71.49007	1.0
71.49423	1.3
72.71951	0.9
73.02930	1.3
79.05492	5.7
81.03418	4.8
81.04545	1.1
81.07061	4.7
83.03132	0.9
83.04968	6.2
83.08614	1.4
84.08140	2.6
84.89077	1.0
85.02898	12.6
85.06519	2.0
86.09701	6.5
87.04452	1.1
89.06043	6.5
91.05480	4.3
93.07034	3.5
95.04967	100.0
95.08613	4.3
97.02899	4.5
97.06535	2.0
99.04463	21.7
101.06018	2.0
103.05442	1.8
105.07027	4.3
107.04959	8.7
107.08595	8.2
109.02896	6.6
109.06530	3.9
109.10153	3.1
111.04461	1.5
111.08080	2.8
119.08597	2.6
119.59950	1.1
121.06509	3.5
121.10155	4.4
123.04428	2.2
123.08056	2.0
125.07104	3.0
125.09631	5.4
127.03930	5.1
129.05537	1.5
129.07011	1.1
131.04961	2.2
131.08546	4.7
133.06540	1.2
133.08594	4.2
133.10118	7.2
135.04428	4.2
135.08044	7.1
135.11665	2.5
136.07573	1.0
137.05969	5.5
137.09621	1.6
139.03902	3.5
143.08229	2.2
145.06454	1.2
145.10115	1.5
147.11670	2.2
149.05995	3.9
149.09592	5.1
149.13216	1.5
151.03903	3.2
151.11142	1.2
153.05530	1.9
153.09109	30.7
159.04414	1.4
160.05220	1.2
161.05939	1.9
163.03856	2.4
163.11194	2.9
163.14838	2.7
165.05487	6.3
167.07036	7.6
173.13242	10.8
177.05492	4.6
187.03899	2.5
187.07561	3.3
189.09070	1.4
191.14311	36.9
192.07762	1.3
193.08618	1.0
195.06592	2.9
201.09055	1.3
209.08023	2.7
209.15366	53.0
217.04910	1.2
217.08545	2.6
219.08107	1.2
249.09077	2.0
261.09027	1.0
263.07132	1.5
273.54749	1.1
277.08545	1.7
278.09149	1.1
279.06592	1.3
279.09799	1.3
285.07553	1.1
290.09222	1.2
295.58804	1.2
300.10205	1.3
309.11185	1.7
321.11130	2.3
325.10809	1.1
339.11459	1.9
353.13986	2.6
353.20306	1.5
360.66199	1.3
371.11386	1.7
371.16510	10.8
371.21457	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	6.6
71.33586	5.9
77.08368	3.0
81.07046	12.6
82.34615	2.8
91.05462	5.6
93.07058	3.1
95.08605	5.6
96.59821	3.0
104.18729	2.8
105.07065	6.5
107.04940	3.5
107.08578	16.8
109.06477	3.9
109.10163	5.4
117.47192	3.1
119.08581	3.9
121.10130	9.7
122.07280	5.8
131.04944	4.0
133.10121	100.0
135.08058	11.2
137.09610	75.1
148.86977	3.5
149.13271	11.2
151.07520	3.3
167.07030	6.3
173.13223	4.3
181.04938	4.2
189.09077	4.6
191.14313	49.3
209.15352	5.0
218.07158	4.6
249.09077	6.1
261.09067	4.5
277.08521	8.0
299.12296	3.3
339.12262	12.2
371.14905	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30045	1.4
55.01860	2.9
55.05507	8.2
56.96562	3.9
57.03428	4.2
57.07064	3.0
61.02929	3.3
67.05511	6.3
69.03429	16.3
69.07059	6.0
70.06593	11.1
70.46931	1.3
70.74019	3.6
71.04984	5.7
72.08142	5.5
73.02896	2.2
79.05502	6.7
81.03414	6.9
81.07062	8.9
83.01308	1.5
83.04980	9.2
83.08624	6.2
84.04514	3.2
84.08141	7.4
85.02905	29.1
85.06537	4.6
86.09695	4.4
87.04456	1.6
91.03970	1.9
91.05375	2.4
91.05818	4.4
91.06293	1.2
91.41830	1.4
93.07048	10.9
93.17296	1.1
95.04965	100.0
95.08605	5.0
97.02896	13.6
97.06527	2.3
97.10165	1.3
98.97593	3.5
99.04451	26.1
100.07587	1.5
101.05999	1.9
103.05468	1.8
105.07010	4.5
107.04957	3.5
107.08571	10.0
109.02865	6.2
109.06501	7.4
109.10149	7.5
111.04433	3.5
111.08073	3.2
115.05424	1.4
116.07101	2.5
116.98618	2.3
117.07005	1.7
119.08569	4.0
121.06503	2.5
121.10135	16.7
122.06030	4.7
123.04447	2.2
123.08030	3.1
123.11693	2.6
124.07644	1.7
125.05953	2.0
125.13247	1.4
126.05521	1.6
127.03878	9.2
129.05482	2.2
129.06966	1.7
129.10217	3.7
130.04933	1.4
131.08551	2.6
133.02789	1.8
133.10118	7.7
134.99590	1.7
135.04347	2.1
135.08041	5.7
135.11635	1.8
136.07599	2.9
139.11137	3.0
145.04953	3.5
145.06319	1.5
145.10078	1.6
147.04433	1.8
147.06506	3.1
147.11661	1.5
149.05913	2.4
149.13297	7.6
150.05511	2.9
151.03882	3.7
151.07532	1.5
151.11183	4.2
153.09108	32.3
161.05936	2.4
163.03864	3.1
163.14793	5.2
167.07043	3.7
167.14288	10.7
170.09659	4.1
173.13240	4.6
179.03387	2.4
179.07050	2.5
181.12251	3.2
187.10912	1.4
191.14191	7.6
194.02119	5.1
198.09212	6.5
208.09792	1.9
209.04445	15.8
209.07779	1.7
209.15367	33.6
219.01744	2.3
237.02925	1.8
239.08205	3.8
268.97906	2.0
285.01028	1.9
296.03070	1.4
343.14618	1.6
353.13593	2.1
355.06778	1.6
371.07626	2.2
371.12854	4.8
371.17081	13.2
371.20792	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03943	5.2
55.01868	8.6
55.05504	20.1
57.03428	7.5
57.07064	4.8
59.04958	2.7
61.02927	5.3
67.05502	8.1
69.03427	33.8
69.07079	11.9
69.33311	9.0
69.33740	13.5
70.06577	9.6
71.01343	2.5
71.04990	4.8
72.08147	3.2
73.02918	5.1
75.03568	2.2
79.05481	18.5
81.03410	16.2
81.04521	4.0
81.07061	21.5
83.04980	33.5
83.08616	22.8
84.08154	5.0
85.02907	40.8
86.09702	10.9
87.04453	6.9
91.05461	6.7
93.07024	11.0
95.04969	24.3
95.08624	12.3
97.02888	19.0
97.06533	9.7
99.04435	11.0
103.03923	5.4
103.05466	4.0
105.07034	12.8
107.04971	25.1
107.08599	24.5
109.02878	20.5
109.06495	11.0
109.07776	2.6
109.10172	14.9
109.65424	2.3
111.04453	6.1
111.08094	12.4
113.05955	2.4
117.07022	2.8
119.08591	7.9
121.06506	10.3
121.10130	19.2
122.47659	2.4
123.04445	6.8
123.08058	10.9
123.11712	4.0
125.02431	2.7
125.06004	5.7
125.07141	3.7
125.09631	9.8
125.13297	2.8
127.03906	13.5
129.05463	4.0
129.07019	2.2
131.04961	5.7
131.08559	6.6
132.05692	2.9
133.10129	9.6
135.04430	10.3
135.08058	27.4
135.11731	5.9
137.05983	4.5
137.09598	3.2
139.03918	8.9
139.11130	11.2
145.04968	5.2
145.10098	3.6
147.04399	2.4
147.06534	8.0
149.05946	9.2
149.09618	21.1
149.13269	10.9
151.03909	4.2
151.07603	5.4
151.11200	19.8
153.05481	3.8
153.09102	7.4
159.04457	3.1
161.05904	2.8
161.09654	2.4
163.07564	2.8
163.11151	4.9
163.14819	7.3
165.05478	15.9
165.09216	3.6
167.07056	15.2
167.14313	24.2
169.12276	4.0
173.13287	15.7
177.05479	15.9
181.12247	20.1
189.12743	4.5
190.13049	3.0
191.07054	3.9
191.14330	57.4
192.07803	4.8
192.14574	2.8
195.06528	5.0
207.13811	4.1
209.07973	13.4
209.15370	100.0
210.15767	3.0
217.08533	3.3
233.15437	3.8
263.16675	3.7
335.18204	3.5
339.10846	2.5
353.10172	2.9
353.19687	3.7
371.11447	13.6
371.16565	47.6
371.21133	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	371.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04356	1.8
55.05516	8.8
57.07066	4.7
67.05505	12.6
69.07066	11.8
71.05003	1.5
71.08632	1.6
79.05508	8.7
81.07056	35.0
83.08636	5.5
85.06555	4.9
91.05487	7.1
93.07039	21.4
93.07568	1.8
95.04946	4.0
95.08610	44.4
97.06534	2.4
97.10168	6.0
101.05994	1.7
103.89619	1.7
105.07031	16.6
107.04939	2.8
107.08595	36.8
107.09320	1.8
109.10159	26.7
111.04465	2.0
111.08104	11.4
119.08595	15.3
121.10144	30.6
123.11707	20.9
131.08537	2.8
133.10110	9.0
135.11688	18.6
137.13211	9.1
145.10155	4.8
147.06509	4.3
147.11644	10.8
149.13263	17.4
150.67245	1.6
153.12709	2.3
157.10147	2.4
159.11710	4.6
161.13289	10.0
163.14807	6.9
165.12785	6.1
167.14299	2.6
173.13292	3.2
175.14890	3.7
177.16414	3.7
179.14259	3.8
187.14841	2.3
189.16409	4.0
191.17929	17.8
201.16394	2.8
203.18013	12.9
205.19513	6.3
215.17911	2.9
217.19545	11.2
219.17572	1.8
233.19051	2.8
241.38881	1.7
245.22499	1.6
253.75218	1.5
257.22583	2.9
271.24228	1.5
277.53036	1.5
336.43417	1.5
353.32043	3.1
371.27655	100.0
371.33008	37.4
372.28018	6.5
372.33344	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	373.1643
Annotation	(+)-Rishirilide B
Peak:m/z	Relative Intensity
52.17395	1.6
53.03933	1.8
55.01858	5.6
55.05497	6.8
56.96557	7.6
57.03432	5.6
61.02898	3.5
65.03934	4.9
67.05504	57.4
67.42472	1.8
69.03416	5.5
69.07067	15.6
69.80310	1.8
71.01344	2.4
71.04985	4.8
71.34268	3.0
79.05491	19.2
81.03401	15.3
81.07059	15.9
83.04984	5.4
83.08615	5.0
85.02896	4.3
91.05473	10.1
93.07051	13.1
95.04966	77.9
95.08620	8.6
97.02874	4.0
97.06532	100.0
97.10138	2.7
98.97589	2.0
103.05486	2.2
105.07023	10.9
107.04949	3.4
107.08585	8.3
109.02871	1.9
109.06542	2.6
109.10166	9.2
111.04469	2.7
111.08134	2.0
116.98570	2.7
117.06945	1.9
119.08575	7.5
121.10128	8.9
123.04415	3.8
123.08063	3.0
128.06197	1.9
129.07007	4.1
131.08540	3.2
133.02818	2.4
133.10130	7.3
135.04472	1.8
143.04916	2.3
143.08557	3.8
145.06445	2.1
147.11707	5.2
149.09590	3.3
151.11243	2.4
157.06517	3.8
157.10147	6.2
159.04411	3.7
159.08015	2.3
161.02335	6.5
161.05966	8.1
163.03867	13.6
163.11145	2.3
167.08484	3.3
169.10081	2.2
171.08070	5.2
173.02316	7.9
173.06027	7.2
173.09595	3.5
175.07555	4.0
175.11153	2.5
185.05949	4.4
185.09576	5.0
187.03888	9.8
187.07524	3.7
189.05478	2.8
189.09142	10.8
191.03416	2.6
193.12270	4.4
195.08026	6.1
196.08879	2.0
199.03952	3.7
199.07585	9.5
201.05458	4.1
201.09134	3.6
209.09805	2.5
211.07613	4.8
211.13297	2.8
213.05644	9.9
213.09091	7.5
215.07047	2.5
215.10590	3.8
217.08611	3.8
225.05467	3.4
227.06987	1.9
229.07375	3.9
231.10001	2.2
239.06924	2.7
241.08614	10.9
241.12317	5.6
243.06415	2.7
246.08907	4.6
247.08418	3.3
257.07697	2.0
259.09705	9.3
261.11240	4.1
265.12146	2.4
267.09146	4.9
267.13766	10.2
269.08292	2.3
283.13275	6.9
285.10010	9.1
285.14874	5.2
287.04367	2.1
291.93030	1.9
293.11563	4.4
301.09534	4.3
301.14682	2.2
305.10153	7.6
309.14761	4.5
311.12723	10.7
311.16385	4.3
313.14279	7.4
327.15768	8.0
329.13724	3.2
331.15353	3.3
337.14261	8.6
355.15396	55.7
355.22144	2.5
355.26373	3.5
356.15802	4.2
373.12177	2.3
373.16513	40.4
373.26688	3.1
374.16690	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	373.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.2
54.95802	2.2
55.05510	12.5
55.05735	2.2
57.03434	22.7
57.07054	3.7
59.04989	3.7
67.05145	4.3
67.05502	75.5
69.03426	52.8
69.07054	4.9
69.52844	18.0
71.04995	11.6
73.02911	3.2
74.05193	2.1
81.03415	45.8
81.07057	11.0
83.04973	12.7
83.08612	8.5
85.02908	15.7
85.06548	2.7
87.04455	3.2
91.05487	7.4
93.07039	3.4
95.04961	4.0
95.08601	4.6
97.02888	26.4
97.10163	3.5
98.21509	4.2
99.04424	7.6
107.08572	4.6
109.02868	9.1
109.10155	67.2
111.04430	6.0
111.08092	2.8
119.08562	7.8
125.09620	6.4
127.03915	21.1
129.05501	4.5
133.10083	2.7
137.09627	5.4
151.41904	2.1
155.10643	7.4
173.04445	4.3
173.10271	4.1
173.11736	54.8
189.11166	7.7
229.14320	9.5
277.06577	2.2
299.14685	10.9
355.17380	4.9
369.58224	2.3
373.18521	100.0
374.19147	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	373.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01865	6.9
55.05515	20.3
56.96550	8.6
57.03424	8.2
57.07069	7.8
59.04977	2.0
61.02909	3.6
65.03939	6.0
67.05146	3.5
67.05507	66.1
69.03425	7.5
69.06742	3.6
69.07071	39.5
71.04977	6.6
79.05492	38.8
81.03419	16.4
81.07059	83.9
83.04950	7.4
83.08613	17.8
85.02885	5.9
85.06546	12.7
86.39438	2.5
87.47743	2.2
91.05476	18.5
93.07050	46.0
95.04391	4.3
95.04971	67.0
95.08609	51.0
97.02878	4.8
97.06535	100.0
97.10175	4.8
98.06802	2.9
98.97562	3.0
99.04450	7.3
99.08074	5.7
101.02328	2.7
101.06033	2.6
103.05476	4.3
105.07030	25.0
107.04973	5.1
107.08581	33.7
109.02898	3.1
109.06493	9.8
109.10165	31.0
111.04420	3.0
111.08049	6.1
111.11745	3.9
115.05459	2.4
117.07056	2.8
119.04919	2.9
119.08588	18.2
121.10136	25.8
123.04467	2.4
123.08069	7.1
123.11723	22.6
125.09612	3.7
127.07556	7.2
128.06244	2.8
129.06998	6.6
131.04897	3.6
131.08556	6.3
133.10109	17.4
135.11685	22.5
137.05968	4.6
137.09618	5.1
137.13211	12.7
139.03915	4.0
139.11211	3.0
142.07759	2.3
143.08591	4.4
145.06491	3.7
145.10115	6.3
147.08090	4.0
147.11679	24.1
149.09610	7.3
149.13286	16.6
151.11198	20.4
153.12776	3.0
155.08455	3.0
157.06483	4.1
157.10132	4.3
159.04442	5.8
159.11688	5.6
161.02357	3.3
161.05995	6.3
161.09579	3.1
161.13203	5.5
163.03894	15.3
163.11159	4.3
163.14809	3.1
165.05470	4.3
165.12807	13.6
167.08533	4.5
167.14420	2.5
169.10057	2.8
173.02377	8.7
173.05951	5.3
173.13228	3.0
174.06781	4.1
174.82793	2.1
175.07518	6.4
175.11194	3.1
175.14723	3.4
177.05537	2.9
177.12761	7.1
177.16321	3.3
179.10648	3.3
181.05020	3.8
181.06470	2.7
181.12221	3.5
185.05980	4.2
185.09576	3.5
187.03896	9.7
187.07585	4.6
187.14931	2.7
189.09100	6.4
189.12610	3.5
193.12274	14.2
195.08145	4.9
195.13852	12.7
197.06006	3.0
199.03996	4.3
199.07545	9.3
201.05595	3.6
201.09171	4.9
201.12717	2.2
202.78098	2.3
203.07016	3.2
203.10773	2.5
205.19453	2.5
207.13795	4.9
211.07655	3.4
211.13214	2.9
213.05484	9.1
213.09102	8.5
215.10765	2.8
217.08574	4.0
229.07329	3.6
229.14288	3.2
230.61476	2.5
239.14447	2.5
241.08739	5.4
241.12318	5.7
244.22296	2.5
246.09003	2.5
247.08675	4.7
259.09659	10.0
260.10068	2.4
261.11139	2.8
267.09091	6.6
267.13855	7.9
269.08078	2.9
275.02698	2.5
283.13235	5.3
283.24185	2.5
285.10083	13.0
293.11731	3.1
301.25208	6.7
305.10269	8.2
309.14859	3.1
311.12762	10.4
311.16309	5.2
313.14301	6.7
319.26349	33.8
327.15811	7.9
337.14194	5.4
337.27478	22.9
355.11432	3.6
355.15433	51.2
356.15591	6.3
373.16537	27.9
373.20059	3.1
373.23709	3.9
374.16772	5.3
374.20947	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	374.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
56.96539	0.8
60.04501	0.5
60.14513	0.4
61.02897	0.5
63.15538	0.4
67.05508	2.1
68.05791	0.5
69.07053	0.9
69.44134	1.1
69.44550	2.1
70.02953	13.9
77.73813	0.4
79.05500	0.7
80.71735	0.5
81.03384	0.7
81.07036	0.8
86.06055	0.6
91.05483	0.5
95.04964	2.3
95.08585	0.6
96.05298	1.0
96.48335	0.4
97.06525	2.3
98.06885	0.8
102.72090	0.5
108.02072	0.5
114.05524	11.4
115.15389	0.4
121.06508	0.5
125.01535	1.0
129.01042	0.5
138.99457	16.3
139.00543	1.0
141.05502	1.0
149.01405	0.5
151.03905	44.7
151.04984	1.9
152.04305	0.7
168.05690	1.4
176.06148	0.5
181.06537	2.1
192.05701	8.6
196.08823	2.5
199.03091	39.0
209.05986	1.7
220.05190	36.1
221.05515	0.9
224.08282	2.1
227.02580	21.0
228.03143	0.9
231.05705	0.8
244.02882	1.9
245.03792	0.6
255.02078	39.6
256.02438	0.7
259.05209	5.4
272.02359	2.8
273.03101	0.8
287.04684	100.0
288.05005	3.0
296.04791	1.1
356.15662	1.8
374.11533	85.0
375.11908	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1154
Annotation	Violaceinic acid
Peak:m/z	Relative Intensity
50.36940	0.4
54.97106	0.3
60.04499	0.4
67.05511	0.4
69.26987	3.1
69.27399	0.8
70.02954	14.2
79.05473	0.4
86.06052	0.5
86.99986	0.4
88.07648	0.5
95.04933	1.0
106.35143	0.3
107.08590	0.3
112.27674	0.4
114.05527	10.2
125.01567	0.7
129.01035	0.4
138.99458	13.8
139.00549	0.9
141.05440	0.9
141.57253	0.4
151.03905	42.8
151.04962	1.8
152.04239	0.4
165.01009	0.4
167.96124	0.4
168.05742	0.5
176.06218	0.4
181.06465	2.7
188.43526	0.4
192.05698	7.4
195.08005	0.5
196.08891	2.4
199.03090	33.9
200.03346	0.5
209.06003	1.4
216.03305	0.7
220.05190	33.7
221.05536	0.9
224.08330	2.9
227.02585	21.1
231.05719	0.6
244.02831	1.9
245.03760	0.6
255.02074	36.7
259.05231	5.2
272.02319	2.6
273.02951	0.5
287.04684	100.0
288.05011	1.4
296.04724	1.0
313.46432	0.4
365.72226	0.4
374.11530	71.7
375.11844	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	374.1445
Annotation	Prochlorperazine
Peak:m/z	Relative Intensity
55.01848	0.9
56.05033	0.8
56.96558	2.7
57.03422	2.1
61.02910	2.7
67.68786	0.6
69.03429	4.8
70.06574	2.1
70.42148	1.8
72.08149	1.5
73.02917	2.1
79.05489	1.5
81.03405	1.7
81.07076	0.8
84.04478	2.4
84.08150	8.7
85.02901	6.4
86.09699	2.8
87.04486	0.8
93.07034	0.9
97.02873	3.2
98.97598	4.3
100.07587	1.0
103.05478	1.9
108.08104	2.2
110.97582	0.8
111.41310	0.7
116.98651	3.3
118.06499	0.8
119.01899	1.3
120.08091	3.7
122.06017	1.3
124.07577	2.3
127.03932	0.9
128.98622	0.8
129.10222	5.2
130.06534	1.8
131.00169	1.2
131.04922	1.0
132.08072	1.5
133.05209	6.9
133.06091	1.0
134.06018	3.3
134.99649	1.3
136.07570	7.8
137.08365	1.8
138.09157	1.0
145.03432	0.7
145.04968	1.1
146.05948	0.7
146.99573	1.2
147.06760	1.6
148.07573	50.5
149.01268	1.0
150.05493	2.5
150.09102	1.1
151.06091	0.7
152.07063	12.9
153.07468	0.7
156.38518	0.7
158.99606	1.0
160.07539	1.0
161.01234	1.1
164.07060	30.0
165.07466	2.4
166.08633	14.8
168.06566	2.4
169.07494	0.6
169.98543	0.7
176.07072	47.9
177.00737	1.6
177.04156	0.8
177.07504	1.2
178.08646	2.0
178.12247	0.7
181.09669	0.7
186.99254	0.9
194.08127	83.5
195.08461	1.5
196.09689	1.8
209.00043	0.7
212.09177	46.6
213.09569	0.9
218.08089	0.8
219.01717	1.1
221.05054	1.3
231.05504	0.9
237.02849	3.5
245.04982	1.1
246.34056	0.8
262.08212	0.7
272.06467	1.0
279.03635	0.8
283.91028	0.7
296.14679	0.7
306.13385	0.9
306.55704	0.7
314.06879	0.7
324.14276	0.8
330.11740	0.7
338.15839	0.8
356.13287	8.4
356.16663	0.9
374.14420	100.0
375.14749	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	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
54.34340	0.6
55.01864	1.3
56.05028	0.8
57.03419	1.2
58.22535	0.6
61.02915	2.0
67.05511	0.9
69.03438	4.3
69.07067	1.1
70.06582	2.6
71.04986	0.7
71.48773	1.1
72.08147	1.7
73.02933	0.8
75.99934	0.6
79.05518	1.2
81.03416	2.4
81.07040	0.8
84.04507	1.4
84.08154	5.8
85.02908	15.3
86.09696	2.8
89.03908	4.9
91.03960	1.1
91.05470	2.6
93.07062	0.9
95.04957	1.3
96.08115	1.2
97.02891	5.1
98.97569	0.7
99.04437	1.0
107.04940	1.8
108.05296	0.8
108.94463	0.7
109.02879	1.7
111.08086	0.9
117.03385	14.7
120.08112	1.2
122.09691	0.9
127.03903	2.7
129.10236	1.8
134.03622	1.1
134.05981	0.9
135.04388	2.4
145.02849	40.0
145.04956	4.2
145.05986	1.0
146.03165	0.8
147.04465	1.0
149.05983	7.6
152.07037	6.2
153.05470	1.4
163.03897	2.9
165.05414	1.5
167.06993	0.8
177.05472	100.0
178.05833	1.8
180.08630	0.8
181.03183	0.7
181.08620	1.1
193.05061	0.7
194.08133	9.4
195.06534	45.2
210.05746	1.0
210.14868	0.7
212.09421	1.1
212.12975	0.7
213.45041	0.7
227.08534	1.5
310.15955	2.2
374.18222	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	374.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73590	1.3
50.83099	1.2
56.96571	23.4
64.65752	1.4
69.16241	16.5
70.06579	1.3
71.95257	5.1
93.07053	1.8
97.24930	1.3
98.20747	3.3
110.97569	1.7
115.21094	1.4
128.98618	8.0
146.99663	14.7
154.17111	1.4
155.03841	2.5
161.01170	1.8
165.00739	4.3
189.04401	1.4
203.05899	2.0
212.05756	1.9
219.41586	1.5
257.10376	1.3
263.09579	2.6
278.26428	1.4
279.70462	1.4
309.13882	1.3
313.14722	1.8
315.16260	33.3
316.16776	2.8
331.15823	2.6
333.17343	100.0
334.17764	5.2
346.27063	2.0
351.18320	32.8
352.18890	2.2
356.19019	17.1
374.20148	5.2
374.26755	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	374.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46404	0.9
55.05503	1.2
56.96566	30.3
65.62005	1.1
67.94661	1.1
69.25744	11.0
71.95245	4.0
72.96050	1.1
73.08186	1.1
77.00887	1.1
79.05473	1.5
81.07051	1.1
84.96014	2.2
91.05473	1.9
93.07021	1.9
104.66503	1.0
105.40298	1.0
110.97598	4.0
115.97840	1.3
116.98605	2.1
119.08585	1.5
123.01162	1.6
128.98608	11.3
134.99664	1.1
146.99667	17.2
161.01242	2.8
165.00732	5.0
179.02306	2.5
179.05840	1.5
189.04338	2.9
193.03899	1.2
203.05873	2.3
211.14420	1.3
215.11288	1.6
222.65126	1.1
233.12233	1.2
245.10570	1.2
252.10294	1.4
253.12984	1.5
263.09662	5.1
264.10492	1.2
281.10583	1.6
303.12515	1.4
313.14828	1.3
315.16208	37.6
316.16559	2.3
321.13641	1.2
331.15750	2.9
333.17334	100.0
334.17755	5.9
351.18307	42.5
351.23242	1.6
351.24063	1.0
352.18680	3.1
356.18939	18.9
369.21118	1.9
374.20087	8.8
374.24698	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	374.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34637	1.1
53.44005	1.0
55.05495	1.1
56.96559	6.4
58.99873	2.1
69.07089	2.3
71.08636	8.0
71.49873	1.9
77.00903	9.4
79.05473	1.7
81.07076	2.8
83.08665	1.2
86.36799	1.0
95.01949	10.3
95.08597	2.2
99.08081	1.8
105.04594	1.2
107.08593	1.2
121.10145	1.3
128.19191	1.2
128.98602	2.5
129.03876	1.4
133.10170	1.8
146.99660	2.8
157.10054	1.2
159.05013	2.2
161.06570	1.2
171.04962	2.1
173.06602	4.1
175.08272	1.5
179.09123	1.2
185.06665	3.6
187.08186	2.5
191.07668	3.3
191.70705	1.1
199.08199	1.5
201.09708	5.5
205.09190	1.5
211.08055	1.7
213.09743	1.4
215.11275	20.8
217.12813	1.7
219.10799	2.5
219.71185	1.2
221.10280	1.2
223.11795	3.0
227.11311	3.1
229.09100	1.3
231.10738	2.5
233.12390	9.7
235.11942	2.3
239.11366	1.8
241.12952	7.2
253.12852	14.6
269.15982	3.1
271.13910	29.4
276.14377	2.8
277.12958	2.1
294.15512	2.5
295.14276	1.7
295.17551	1.8
296.85403	1.3
297.19296	1.3
303.17679	1.5
315.16159	3.7
315.18384	2.6
321.19168	3.1
323.20724	5.2
333.18970	28.7
334.19418	1.3
341.21545	2.1
346.22238	1.2
351.20248	100.0
352.20322	5.0
356.20493	5.0
369.21268	21.8
374.21866	15.0
374.26282	2.5
375.17639	1.3
392.22552	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87147	0.7
55.05525	0.7
56.96551	0.8
58.99850	1.6
64.66842	0.7
67.05482	1.9
69.07070	1.8
71.49992	1.0
77.00907	10.3
79.05494	1.3
81.03422	0.6
81.07045	1.8
84.62367	0.7
91.05474	2.1
93.07043	1.7
93.83034	0.7
93.94121	0.7
95.01397	0.9
95.01949	8.5
95.08611	1.4
105.07047	1.5
109.06427	0.7
109.63497	0.7
115.14268	0.8
119.08568	2.9
123.11691	0.7
131.01871	0.8
131.08563	0.7
133.10092	1.2
141.03902	0.7
147.05048	1.4
149.02946	0.7
151.03915	0.9
153.03937	0.8
159.05023	1.8
161.06465	0.9
169.07193	0.7
171.04988	2.1
171.08655	0.9
173.06561	1.8
185.06549	1.3
187.08130	2.8
199.08104	1.5
201.02628	0.7
201.09734	4.3
203.09216	1.0
205.09222	2.3
205.12914	0.7
207.05013	0.9
209.06654	0.6
209.10205	1.6
211.08060	1.0
211.11823	0.8
213.09676	1.5
215.11224	3.7
217.10776	1.8
219.10713	2.6
221.06631	1.3
221.10205	0.9
223.11731	0.9
224.61465	0.7
225.06026	1.6
225.09657	1.3
227.11284	4.1
229.12874	2.4
233.12364	2.1
235.11829	2.1
237.13300	2.3
239.11325	1.7
241.12849	4.2
243.10756	1.1
245.12404	2.6
247.08255	0.8
247.11624	0.7
247.13988	1.7
251.11269	0.9
253.12758	3.2
255.09933	1.1
255.14433	1.8
259.13901	1.9
263.11310	1.2
264.11990	1.6
265.12878	1.4
267.14355	1.4
269.15863	1.4
271.13907	1.8
277.16510	0.8
281.12350	2.1
283.13876	1.2
287.04810	1.1
289.16446	1.4
291.14346	2.7
291.18063	1.8
297.16843	0.9
299.13272	0.9
305.19748	0.7
309.15506	2.5
309.19144	2.5
313.16336	1.3
315.18054	27.6
316.18225	1.2
333.19089	100.0
334.19312	6.0
351.20178	78.5
352.20386	4.6
356.20667	11.2
357.20895	1.3
369.21286	4.3
371.36807	0.7
374.21744	11.0
375.22226	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	374.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.1
56.96562	6.4
58.99866	2.5
67.05493	6.1
69.07063	5.5
71.50183	3.7
77.00904	21.2
79.05486	5.4
81.07066	12.3
85.16579	2.1
91.05479	7.5
93.07034	4.1
95.01936	16.4
95.08575	3.3
97.06490	3.5
105.07037	4.7
107.08586	5.3
109.10128	2.9
119.08598	4.5
120.37981	2.2
121.10096	2.6
126.47182	2.3
131.01913	3.7
131.08597	2.8
135.08075	2.6
141.04015	2.6
145.03433	3.7
145.10143	3.5
149.02908	2.3
159.05020	6.2
171.05046	5.2
173.06627	6.9
183.71655	2.5
185.06612	5.8
187.08118	9.2
191.07625	3.8
197.06303	2.6
197.10223	2.5
198.14981	3.2
199.08051	5.0
201.09718	13.8
205.09250	4.6
213.09634	4.5
215.11249	7.5
219.10764	16.7
221.06540	2.8
221.10300	3.3
223.08034	2.6
223.11899	5.5
224.11417	3.4
225.06113	2.4
227.11325	7.7
231.10612	2.7
233.10201	5.1
233.12318	3.2
237.13464	2.7
239.07599	2.7
239.11290	13.2
241.12903	11.6
249.09702	8.0
251.11314	26.4
253.12839	7.5
255.14398	4.0
257.12305	35.3
258.12753	2.6
262.12943	4.5
263.11197	4.8
264.11786	2.8
265.12952	4.2
267.10803	32.8
269.09521	4.5
269.12329	82.2
271.13937	9.5
273.17102	2.9
274.12973	2.8
280.14059	3.4
281.12317	4.2
285.11829	4.5
287.04593	2.9
290.12183	4.0
291.14609	2.3
291.18008	6.2
292.13843	7.5
309.19168	5.0
315.18097	26.4
333.19122	77.5
334.19171	3.6
341.49924	2.2
351.20215	100.0
352.20407	6.0
356.20792	11.1
374.17661	2.4
374.21967	16.5
374.26770	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	375.1285
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
51.30679	9.1
67.05479	16.4
69.03414	11.8
70.03530	16.7
70.03949	33.3
70.06591	15.8
72.08171	9.5
78.68338	9.7
79.05491	23.8
81.03389	13.2
84.04486	14.8
84.08131	15.3
85.02911	20.5
86.09712	12.1
91.05464	10.9
95.04960	45.9
97.02916	12.6
107.04966	100.0
109.02857	16.1
121.06510	26.9
125.02399	12.4
130.05014	20.1
137.05978	19.3
141.05508	11.3
147.07610	18.0
149.05939	27.8
151.03905	82.5
153.05539	12.1
177.05484	36.6
185.07103	16.2
195.06557	36.5
213.07602	17.0
227.29356	9.6
250.14427	25.6
375.12097	18.7
375.16385	39.4
386.58905	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	375.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05511	0.8
62.07936	0.7
65.03951	7.3
67.05494	1.7
69.03423	1.2
69.07050	0.7
69.18415	7.2
71.04984	0.9
72.08153	1.1
79.05474	2.2
79.90587	0.7
80.04993	0.6
80.13431	0.7
81.03432	1.7
83.04979	1.8
85.02892	1.7
86.09705	6.3
86.72744	0.6
87.10019	1.8
91.05479	1.8
92.05014	4.1
93.07071	3.7
94.06570	2.8
95.04961	2.1
95.06752	0.7
95.07351	1.4
95.08588	0.8
96.08144	4.5
97.02883	1.0
97.06527	1.1
102.05550	0.7
103.05482	1.5
105.07046	1.4
107.04963	3.4
107.08629	0.8
107.42632	0.7
108.08125	7.1
109.02847	0.9
109.06528	1.6
110.09702	7.0
111.04421	1.1
116.04977	2.0
120.04465	9.4
120.08089	4.5
121.06490	2.0
122.06044	3.9
123.04373	0.7
124.07578	2.3
125.05986	0.8
127.03889	1.0
129.06963	1.8
131.04918	1.0
131.07011	1.1
131.08548	0.8
133.06534	0.8
135.04398	1.7
136.07544	4.4
137.05986	8.2
137.47610	0.7
138.09157	9.6
141.05489	1.5
144.04405	4.1
146.05998	1.6
148.03932	100.0
149.04266	1.4
149.05963	1.3
150.46622	0.7
150.74315	0.8
151.03906	16.8
153.05461	1.7
154.08687	1.3
157.06496	1.5
161.05986	1.1
162.05502	4.1
165.05446	1.1
166.05005	37.4
166.08656	16.5
167.07043	2.6
172.03941	14.0
172.83670	0.8
175.07594	1.3
177.05531	1.4
177.08998	1.2
188.07193	0.8
190.05019	10.1
191.07005	1.4
195.06546	1.4
195.12149	0.9
195.13840	1.4
199.12352	1.0
203.07005	3.0
204.06570	27.7
205.06929	1.0
205.08662	1.0
209.08136	1.4
214.14417	1.1
215.13930	0.9
216.14333	0.9
221.08006	1.3
222.07549	0.9
227.11711	2.2
243.13464	1.2
244.13692	1.8
255.11330	16.6
273.12341	12.5
283.10767	15.7
286.08267	0.8
301.11826	92.0
302.12152	3.8
315.13095	1.0
319.12909	9.1
320.03763	0.8
322.13641	0.7
325.11761	2.2
327.12189	1.3
343.09021	0.7
343.12912	12.3
344.13647	0.8
357.13751	2.2
375.11090	1.7
375.15540	1.4
375.19382	1.0
375.32224	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	375.2378
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
52.84648	1.1
53.03941	5.1
53.92644	1.2
55.01869	7.8
55.05514	19.1
57.03442	9.5
57.07086	5.4
59.04999	2.8
61.02923	10.8
67.05506	11.0
69.03428	33.5
69.06693	2.8
69.07069	44.8
69.50317	7.1
71.04990	9.2
73.02911	6.2
73.81985	1.0
79.05500	7.0
79.93516	1.0
81.03424	14.7
81.07058	26.1
83.01335	1.1
83.04984	9.2
83.08620	8.2
85.02906	78.0
85.06545	22.2
85.13172	1.2
87.04460	6.3
91.03964	3.7
91.05486	5.0
93.07044	18.2
95.04974	3.5
95.08607	43.9
97.02309	2.3
97.02892	28.9
97.06538	5.0
97.10181	11.8
99.04426	6.2
99.08088	23.3
103.05463	1.6
105.07034	5.2
107.04939	1.5
107.08595	27.8
109.02888	11.4
109.10172	16.1
111.08081	3.5
111.11686	5.9
113.09655	4.6
115.05465	1.4
119.04853	1.3
119.08597	2.2
121.06483	1.4
121.10142	37.2
123.11702	9.4
125.09619	7.5
125.13296	1.8
127.03925	19.3
127.11202	2.4
131.04890	3.5
133.06514	1.3
135.11688	17.1
137.05959	1.2
137.09567	1.6
137.13260	22.0
139.11183	9.4
145.04959	15.5
145.10144	1.2
147.04440	1.4
147.08064	1.4
149.13260	4.3
151.07568	1.5
151.14842	4.4
153.12759	10.7
159.08130	1.5
159.11823	1.5
160.60135	1.3
161.05968	3.1
167.07024	2.0
167.08472	1.2
173.06033	1.6
175.07558	2.6
177.16391	100.0
189.05482	1.5
193.08635	1.1
195.17433	40.0
203.10709	1.5
213.18488	45.3
255.13809	1.7
264.32858	1.1
273.14816	2.2
283.13257	1.4
301.14395	2.4
315.09821	2.0
375.10999	5.2
375.17987	7.9
375.23633	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	375.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66906	4.3
51.35176	4.7
53.03938	9.1
55.01868	5.7
55.05517	24.4
60.51529	3.7
67.05504	24.3
69.07052	15.9
71.04967	5.6
71.50127	4.7
79.05490	36.4
81.07058	46.3
83.08613	9.6
91.05481	51.2
93.07043	66.5
95.04964	40.9
95.08611	45.1
97.06534	11.4
103.05438	5.6
105.07034	100.0
107.08595	43.3
109.06505	10.2
109.10149	16.9
117.07036	22.0
119.08585	78.6
121.06508	20.1
121.10141	73.3
123.08030	6.7
123.11687	4.7
128.06252	6.7
129.07016	15.9
130.07800	4.4
131.08568	48.1
133.10136	45.1
135.08110	4.5
135.11694	16.4
135.46054	3.9
141.07001	6.1
142.07787	14.1
143.08542	28.1
144.09348	7.6
145.10124	51.7
147.11711	14.8
152.82967	3.8
155.08522	14.1
156.09320	8.8
157.10143	40.3
158.10793	4.6
159.11696	27.9
161.09645	7.7
161.13222	4.6
169.10141	16.4
170.10881	4.4
171.11681	17.2
173.13254	15.1
175.11195	9.7
175.14761	6.3
180.09331	4.0
181.10080	4.7
183.11722	11.9
185.13242	7.2
187.14813	10.5
193.10098	5.2
195.11649	10.8
197.13275	9.6
198.34296	3.8
199.14815	11.7
201.16348	7.9
209.13281	6.5
211.14806	7.8
239.14360	6.0
275.20056	5.5
375.18408	4.0
375.26840	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	375.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76460	4.2
53.03939	5.2
55.01870	4.8
55.05516	31.5
56.96566	10.0
57.07063	6.1
67.05506	48.2
69.07069	21.3
69.30546	46.7
73.13887	4.3
79.05498	38.4
81.07061	64.5
83.04984	4.8
83.08622	13.8
91.05475	55.8
93.07040	63.2
95.04977	44.6
95.08613	48.2
97.06541	10.1
98.40051	4.7
105.07034	100.0
107.04978	6.4
107.08611	43.0
109.06526	12.9
109.10174	23.1
112.02856	5.3
117.07040	15.6
119.08582	76.2
121.06505	16.7
121.10139	66.0
128.06190	5.5
129.06985	12.9
131.00139	5.5
131.08551	35.3
133.10127	42.4
135.11685	24.7
142.07774	14.2
143.08549	29.3
145.10123	53.6
147.11710	20.5
149.01231	11.4
155.08499	9.7
156.09372	9.9
157.10132	42.3
159.08105	7.1
159.11694	32.3
161.09648	9.3
161.13268	6.7
167.02257	13.0
169.10135	16.0
170.10799	7.3
171.11647	10.0
173.13313	18.3
175.14861	9.1
183.11702	10.7
185.13313	8.2
187.11134	10.0
187.14830	15.5
193.10262	7.1
195.11690	8.2
197.13264	9.5
199.14912	6.3
201.16522	5.1
206.12497	5.6
209.13185	10.9
211.14867	6.3
223.14864	5.2
315.09293	4.8
365.89194	4.7
374.75937	5.8
375.26501	31.4
375.30902	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	375.2892
Annotation	3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one
Peak:m/z	Relative Intensity
55.05513	2.1
57.07051	0.6
59.02740	0.3
65.03915	0.4
67.05501	2.3
69.03392	0.4
69.07066	3.0
71.20572	0.7
72.74725	0.2
79.05487	1.8
81.06613	0.3
81.07051	6.2
83.04950	0.5
83.08602	1.8
87.12813	0.3
91.04990	0.3
91.05475	3.1
93.07030	3.4
95.04957	0.5
95.08601	9.1
97.06504	0.5
97.10139	0.7
105.07024	15.6
107.07898	0.5
107.08587	8.8
109.06519	0.9
109.10152	5.1
111.08031	0.4
117.07028	0.5
119.08576	22.6
120.08908	0.6
121.06492	0.4
121.10140	4.6
123.08018	0.9
123.11681	1.1
125.09534	0.4
129.07004	0.4
131.08540	2.1
133.10121	29.7
134.10483	0.7
135.08035	0.7
135.11646	1.2
137.05972	0.4
137.09564	0.3
143.08513	0.6
145.10110	4.5
146.10863	0.8
147.08041	0.5
147.11679	23.6
148.11980	0.6
149.09534	0.3
149.13225	1.1
153.96861	0.3
155.08482	0.3
157.10121	0.6
159.11667	2.0
160.12465	2.0
161.09604	0.6
161.13249	6.5
169.35146	0.3
171.11665	0.4
173.09492	0.3
173.13300	0.4
174.14035	0.4
175.11275	0.3
175.14784	0.6
177.12732	2.1
180.74052	0.3
185.13118	0.4
187.14732	0.5
187.76097	0.3
189.16374	25.4
190.16725	0.8
195.71605	0.3
199.14760	0.6
203.14302	1.9
217.15871	0.4
221.15341	1.2
235.16908	100.0
236.17247	3.1
289.04401	0.4
321.25641	0.3
339.26755	1.3
357.27798	2.6
375.28918	62.6
376.29175	3.1
398.94022	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	375.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.6
55.01864	0.5
55.05513	3.2
56.96544	1.3
57.03417	0.7
57.07059	1.1
60.04507	0.9
61.02911	0.5
64.37679	0.5
67.05204	0.4
67.05507	3.8
69.03400	1.6
69.06757	0.4
69.07065	4.7
70.02954	19.5
70.06561	0.7
70.85143	1.3
71.03255	1.8
71.04967	0.6
79.05093	0.4
79.05493	4.4
81.03387	1.0
81.07056	8.2
82.06545	0.4
83.04978	0.5
83.08627	2.9
85.02898	1.3
85.06522	1.4
86.06062	5.2
86.09650	0.5
87.06371	0.5
91.05479	5.4
93.07047	6.5
95.04947	2.6
95.08611	10.8
97.02888	0.9
97.06532	3.7
97.10152	1.0
98.97542	0.9
99.08067	0.6
103.05482	1.0
105.07033	17.3
105.10714	0.5
107.04949	1.1
107.08593	8.3
109.02861	0.7
109.06483	2.0
109.10161	6.3
111.08067	0.8
114.05529	31.5
115.05923	5.1
117.06992	1.7
119.08581	22.9
121.06465	1.6
121.10143	5.2
122.73366	0.5
123.04430	0.9
123.08089	1.3
123.11680	1.8
124.05177	0.5
125.09649	0.7
127.03935	0.7
128.06201	0.5
129.06970	0.7
130.07779	0.5
131.04872	0.9
131.08554	2.8
133.06473	1.2
133.10126	28.3
135.08032	1.5
135.11679	1.9
135.89915	0.5
137.05952	2.0
137.09619	0.6
143.08517	1.3
145.06471	0.9
145.10115	4.2
146.10844	0.8
147.04370	0.8
147.08009	0.8
147.11691	23.6
149.09627	1.1
149.13182	0.9
151.03886	1.5
151.07498	1.1
153.05438	0.7
157.10139	1.1
159.11702	2.2
160.12413	1.4
161.05971	1.2
161.09586	1.2
161.13243	5.9
163.03909	1.0
163.07518	0.8
163.11195	0.5
166.12306	1.1
167.07048	2.7
171.08041	0.7
171.11620	0.5
174.13988	0.5
175.07541	5.6
175.11134	1.4
175.14792	1.0
177.09131	0.9
177.12737	1.7
178.06206	1.1
181.08534	1.4
185.13310	0.5
187.14899	0.7
188.08305	0.8
189.16386	25.8
193.08615	1.9
195.08356	0.5
195.10158	1.5
195.11711	0.5
197.13264	0.6
203.10689	3.7
203.14265	2.4
214.18033	3.9
216.12361	1.0
217.15784	0.7
221.11707	1.5
221.15398	1.3
231.09047	0.5
235.16925	100.0
236.17250	2.5
237.00887	0.8
248.05672	0.5
255.01740	0.7
257.01822	0.5
264.54401	0.5
285.10181	1.0
286.10678	0.7
288.04993	1.3
289.04434	0.9
339.26959	1.0
357.11472	0.5
357.28021	2.0
375.12061	1.8
375.18103	1.7
375.28949	60.0
376.11273	1.0
376.23743	0.4
376.29303	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	376.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.8
55.05513	25.7
56.96550	3.0
57.03434	4.4
59.05003	2.4
65.13779	2.0
67.05508	16.7
69.03442	7.6
69.07068	8.5
69.95287	10.6
70.02957	13.7
70.06568	5.4
71.04995	5.0
78.44592	2.1
79.05491	16.0
81.03418	6.2
81.07059	14.9
83.04990	4.2
83.08617	11.8
84.08163	3.8
85.02898	3.7
85.06556	3.7
86.06066	4.9
87.69588	2.1
91.05469	10.9
93.07066	16.0
95.04975	7.6
95.08598	15.0
95.77636	2.0
97.02890	3.6
97.06547	12.6
97.10183	24.3
98.97602	2.8
99.08138	2.8
105.07046	10.0
107.04955	3.0
107.08598	16.5
109.06536	7.4
109.10155	8.4
111.08089	18.5
114.05531	17.0
117.07034	3.9
119.08603	6.2
121.06511	4.0
121.10117	5.8
123.08098	10.3
125.09630	20.4
131.08578	3.3
133.06522	4.1
135.08067	20.3
137.05984	5.2
137.09618	3.8
139.07574	6.3
145.06540	2.3
145.10017	3.8
147.08029	2.9
149.09570	3.0
149.13199	2.5
151.03912	5.5
151.07556	6.6
153.09152	8.3
159.11742	2.6
161.06041	5.2
161.09642	2.5
163.03871	2.6
163.07581	2.6
167.07077	2.2
169.08650	8.4
173.09671	3.1
173.11760	3.3
177.00743	2.8
177.09106	3.9
179.07021	6.4
185.11694	2.6
187.09784	2.3
189.09042	2.2
189.09497	2.4
189.11223	19.7
195.10236	2.6
201.02925	3.1
203.10782	2.5
214.18054	3.4
227.12766	100.0
241.15752	2.9
257.01712	3.1
259.09665	2.3
259.16962	8.8
269.15326	3.1
272.10892	2.8
287.16400	33.3
289.04364	11.3
303.11020	2.8
305.17487	45.7
323.18579	22.6
335.45267	2.4
340.22714	5.9
346.78027	2.4
358.23770	17.8
361.51813	2.2
376.11588	9.6
376.20731	3.0
376.25024	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	376.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09681	2.1
55.01868	4.4
55.05516	20.9
56.96571	4.1
57.03438	5.4
67.05511	15.5
69.03416	5.0
69.07063	7.7
70.02954	5.0
70.06591	3.6
71.05002	3.2
78.90984	2.4
79.05505	17.7
81.03423	3.3
81.07052	16.3
83.04958	5.0
83.08618	12.7
84.08116	2.9
84.70712	2.4
85.02918	5.1
90.60427	2.4
91.05483	7.9
93.07034	14.8
95.04965	5.7
95.08609	12.4
97.02836	2.5
97.06536	13.8
97.10168	21.9
105.07040	9.7
107.04963	3.1
107.08590	16.3
109.02887	3.3
109.06528	6.4
109.10149	6.5
110.15931	2.0
111.08098	21.0
114.05523	4.6
116.98512	2.1
117.07000	3.8
119.08555	5.0
121.06490	4.5
121.10125	6.1
123.08074	8.1
125.09649	23.2
131.08565	3.4
133.06473	2.7
133.10135	5.1
135.08055	18.5
137.05983	4.5
137.09618	4.1
139.07605	5.3
139.11218	2.8
140.99110	2.9
143.08539	2.8
145.10118	4.3
149.06058	2.7
151.03949	6.2
151.07509	4.8
153.09138	9.4
155.08630	2.9
161.05969	5.0
163.07504	2.2
169.08614	6.0
171.89516	2.0
173.11848	3.0
176.07994	2.1
179.07053	3.0
185.13153	2.8
189.11230	24.6
195.10129	3.2
201.02818	5.4
214.18008	4.1
220.05188	3.8
227.12781	100.0
237.02974	2.8
241.15886	3.6
257.01859	2.9
259.09760	2.2
259.16937	9.2
269.15564	3.9
287.16422	37.2
289.04361	11.7
305.17490	46.3
323.18506	24.4
340.22775	6.8
358.23798	18.0
376.11310	10.1
376.24921	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.96562	0.5
57.07067	0.6
58.99863	0.8
63.50611	0.4
67.05490	1.0
68.22113	0.4
69.07062	0.7
77.00916	4.4
79.05507	0.9
81.07037	1.6
93.07027	1.0
95.01951	3.2
95.08604	1.3
97.10154	0.9
100.02440	0.4
105.07018	0.6
106.72396	0.5
107.08624	0.6
109.10133	0.6
110.25233	0.5
119.08539	0.6
145.10254	0.5
159.05106	0.7
161.06647	1.1
169.07149	0.5
173.06551	1.1
175.08102	0.6
181.03560	0.6
181.07112	0.6
185.06757	0.6
187.08189	1.9
195.08739	0.7
198.39822	0.5
199.08080	0.8
201.09724	3.1
203.11314	1.9
205.09213	1.0
205.12688	0.5
209.10127	0.5
213.09731	1.3
215.11191	3.5
217.10837	0.5
219.10744	3.2
221.10294	0.6
223.11772	0.8
227.11319	1.7
229.12836	1.6
233.12378	1.1
237.13225	0.6
239.11378	1.1
241.12901	1.7
243.14467	2.2
245.12292	1.2
245.15915	0.9
251.92184	0.5
253.12914	1.1
255.14464	0.8
257.12390	1.1
259.13980	0.6
265.12918	0.9
269.12259	1.2
271.13919	1.0
271.17426	0.6
279.14365	1.1
283.13895	1.1
297.15500	1.9
311.20532	0.7
317.19522	5.9
335.20633	42.3
336.20975	1.6
353.21725	100.0
354.21939	3.6
358.22260	5.0
371.22778	3.5
376.23126	13.4
376.29697	0.8
377.23712	0.7
377.41296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02022	0.6
52.24725	0.5
67.05519	0.8
77.00901	1.7
79.05463	0.7
81.07049	0.8
93.07010	0.7
95.01933	1.6
109.10168	0.8
119.08661	0.7
126.86317	0.7
131.01866	3.1
132.74527	0.6
134.25481	0.6
149.02859	0.7
159.05014	1.5
167.53435	0.7
169.03477	3.5
173.06635	1.2
174.03734	1.2
182.04256	2.7
183.14285	0.7
185.06573	1.4
186.07391	1.4
187.04427	1.2
191.07631	1.6
192.04761	0.8
195.05043	2.4
196.05956	0.8
199.08171	1.2
200.05423	0.8
201.09770	2.0
204.08427	0.8
205.07123	0.8
207.08800	0.6
209.06520	1.2
213.09778	1.7
215.11221	1.1
219.10741	1.9
223.08195	6.9
224.08907	6.6
225.09677	1.5
227.05066	0.7
227.07379	0.8
229.09117	0.8
229.12874	1.2
231.10794	2.8
238.06750	0.9
241.09215	27.0
242.09985	18.4
243.10747	4.4
243.14459	0.9
246.09908	0.9
255.10858	1.2
256.07904	1.0
259.10278	8.9
260.11069	7.8
261.11765	1.6
264.10770	3.8
265.11642	1.9
274.09009	0.7
293.19580	0.9
317.19720	2.2
335.20590	13.5
353.21732	100.0
354.21893	2.9
358.22083	1.1
371.22708	1.5
376.23193	14.1
376.30493	0.8
377.23233	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	377.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90175	0.4
60.05640	0.9
63.72744	0.5
69.03399	0.5
70.06580	1.7
79.05481	0.6
84.04511	0.6
84.08116	0.6
85.02889	1.4
86.03558	2.3
86.09702	0.5
91.05481	0.5
93.07053	0.6
97.02859	0.6
97.21923	0.5
107.04927	0.8
120.08095	0.6
148.06047	0.5
148.34421	0.5
185.04268	2.9
200.00757	3.3
203.11914	0.6
215.03143	41.6
215.12587	0.8
217.09734	1.4
218.92403	0.5
233.04276	1.6
268.58667	0.5
278.11395	1.7
292.13016	1.3
318.10837	0.7
319.08124	0.6
334.13922	1.5
377.08426	100.0
377.17786	12.1
378.08728	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	377.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	9.3
57.03432	2.2
58.99861	4.4
60.73761	1.5
61.02917	3.0
67.05499	6.2
68.95319	1.3
69.03428	3.7
70.26310	5.8
70.86863	1.3
73.02902	2.9
77.00904	9.7
81.03420	3.1
81.07057	1.7
82.99850	1.9
83.04978	3.0
85.02905	10.1
87.04462	2.3
91.05489	1.9
95.01916	2.9
95.04967	11.8
97.02871	4.2
98.97567	7.5
101.00870	16.4
109.02854	1.7
113.00862	3.0
113.83143	1.5
116.98635	3.4
119.01060	2.9
119.01918	58.8
119.52103	1.6
121.03507	1.9
127.03918	3.6
128.98676	1.7
131.01900	33.6
133.03470	4.5
134.99634	1.7
137.02979	8.7
138.61104	1.6
141.03998	2.1
142.03447	1.6
143.00168	2.2
143.01886	4.3
143.05521	3.3
145.03510	9.5
146.99614	2.0
149.02988	7.3
153.03908	3.1
155.01888	5.6
157.03487	3.7
158.99660	3.4
159.05031	6.2
161.01273	3.1
161.02954	8.3
161.06590	4.1
163.03923	3.8
167.02286	1.8
167.05518	10.2
169.03438	5.3
170.99644	1.6
171.05032	12.9
173.02963	16.6
173.06607	1.6
175.00812	1.9
175.04530	3.9
177.00667	1.6
177.04039	1.9
177.05977	1.6
179.02116	2.0
179.03726	2.0
179.05473	1.5
183.05060	4.9
185.06598	100.0
187.04543	8.2
189.02495	3.1
189.04402	2.9
189.06053	10.8
191.02409	1.7
195.05026	17.3
197.02974	2.8
197.06616	12.4
200.04402	1.5
201.04323	2.8
201.06073	25.4
203.02267	1.8
203.04028	4.1
203.07672	16.4
205.00031	2.2
205.03795	1.6
207.05103	6.2
208.08113	2.3
211.04485	8.2
213.06067	34.8
215.03976	5.4
215.07625	3.4
219.01678	3.4
219.07037	3.3
221.03203	3.2
221.05045	3.2
223.04608	1.9
225.06099	7.7
228.05772	3.5
229.05589	10.3
231.07083	10.5
233.05026	6.4
237.02768	5.3
239.04025	20.5
239.06133	3.2
241.05760	1.7
243.07225	2.1
249.02818	2.5
255.03972	2.6
257.05063	93.2
258.05438	2.6
267.69797	1.6
269.02402	2.2
269.05069	23.4
270.05286	1.9
271.06296	1.5
272.06558	2.6
275.06131	96.5
287.06113	45.1
287.09393	3.1
293.07346	3.3
298.07761	5.0
303.09131	2.7
305.07132	16.3
315.08969	2.6
317.07068	5.1
335.08273	4.2
359.08047	6.4
377.08411	32.7
377.12970	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	377.144
Annotation	9-Hydroxysemperoside
Peak:m/z	Relative Intensity
53.03938	4.1
55.05493	3.9
56.96551	3.8
57.03434	16.2
59.06115	3.7
61.02929	3.2
62.90530	2.3
63.82208	2.5
65.03920	2.6
67.05498	9.0
68.21620	2.6
69.03429	12.1
70.06595	14.6
70.29236	9.5
71.01350	9.5
72.08136	3.1
73.02919	10.0
75.04478	14.2
79.05487	15.0
81.03414	4.0
81.07055	42.8
84.08139	12.2
85.02902	45.2
85.06544	100.0
85.08530	2.3
86.09708	5.6
87.04486	4.1
91.05467	4.5
93.05537	3.2
95.01327	17.6
95.04945	4.8
97.02893	13.5
98.97574	7.3
99.00829	2.6
99.04401	4.0
101.00840	3.1
103.03952	4.9
105.07032	2.9
107.08624	3.7
109.06510	41.7
113.02353	11.2
116.98604	3.1
117.05499	6.0
119.01940	13.8
119.08575	3.4
120.08111	12.0
121.06474	3.5
127.03928	6.0
127.06650	4.9
127.07546	59.0
129.10191	6.4
131.03409	11.9
135.08044	2.3
136.07591	2.5
137.05925	4.6
138.09193	2.5
141.01826	44.1
143.01888	11.1
145.04892	4.1
146.99625	2.7
147.04434	3.7
151.07571	5.0
158.25742	2.3
159.02907	7.2
161.02982	23.3
163.03871	3.7
165.09073	3.3
167.07040	5.1
173.02879	4.6
175.08727	2.9
177.03940	3.0
177.09056	5.7
183.10172	5.9
187.05972	3.9
190.39282	2.5
196.06020	2.8
201.11311	5.1
203.03938	7.1
215.05507	17.4
215.07555	5.3
221.05020	8.1
233.06557	10.4
237.02736	3.7
257.08661	5.2
289.11316	14.0
299.09943	3.9
306.15765	2.7
335.11789	4.8
359.09146	4.8
377.07779	18.8
377.13205	9.2
377.18207	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	377.1454
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03924	1.5
55.01859	0.4
57.03445	6.1
59.04976	0.5
61.02934	3.6
69.03432	12.8
70.95980	1.2
71.01361	2.8
71.04997	3.3
73.02885	1.8
75.04486	2.7
81.03422	3.9
87.04482	0.5
99.04458	5.6
108.14034	0.4
117.05482	1.3
130.34167	0.4
145.07628	2.4
157.06339	0.7
159.09216	0.8
170.07106	1.6
172.08702	33.2
184.08611	0.5
190.09735	1.4
192.01657	0.4
198.06639	7.7
200.08199	5.1
214.09778	0.7
216.07693	18.0
218.09238	1.3
229.08438	0.6
243.08780	67.5
244.07108	1.1
244.09140	1.2
359.13428	3.3
362.66870	0.5
377.14566	100.0
378.14896	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	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94369	1.7
52.66777	1.8
55.05511	3.0
61.02930	2.4
65.03905	1.9
67.05511	12.4
69.03423	10.1
69.07070	2.8
69.22324	1.6
69.70854	4.5
69.71263	6.2
70.06583	6.0
71.04978	4.7
72.08144	4.2
73.24986	1.5
79.05486	12.7
81.03406	3.3
81.07054	8.6
83.04967	3.2
83.08626	2.0
84.08131	2.9
85.02901	19.1
86.09689	8.4
91.05495	8.8
93.07024	3.6
95.04975	2.3
95.08617	2.8
95.61130	1.7
97.02881	7.2
97.06536	17.2
98.20808	3.6
98.97565	1.9
99.04447	3.5
105.07034	5.6
107.04949	5.4
107.08599	68.0
109.02908	2.2
109.06528	4.7
109.10157	5.8
109.59669	1.6
119.06070	2.2
120.08105	6.5
125.09650	10.1
127.03943	2.7
134.20915	1.5
135.08078	10.1
136.06178	3.8
136.07578	2.0
145.04955	5.9
152.05727	8.5
153.04059	2.1
163.07507	1.6
180.08556	2.1
181.08606	77.9
182.08871	2.6
190.07202	2.1
199.09662	100.0
200.09984	4.2
216.12177	1.8
243.11273	5.3
257.12729	4.2
370.77664	1.9
379.13049	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	378.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	33.4
56.96566	31.5
57.03421	22.6
62.69181	14.2
67.05495	45.3
69.07072	26.0
69.44946	44.3
69.45364	79.4
69.52969	16.5
70.06612	18.3
73.00684	14.2
79.05492	29.0
81.03411	44.4
81.07056	43.7
81.33367	13.5
81.47985	20.3
91.02126	14.7
91.05475	43.3
93.07040	33.6
95.04967	63.0
95.08602	42.7
97.06582	16.3
99.24451	17.5
104.80814	13.3
105.07059	21.0
107.04951	79.6
109.06535	100.0
109.10149	17.6
117.06944	18.3
119.08620	22.8
121.06467	32.6
131.08580	17.0
147.11781	19.1
149.02399	14.8
157.10159	20.3
165.09167	28.2
175.11200	19.1
178.40903	13.9
213.06711	14.3
216.28519	15.8
229.07451	26.5
233.15216	15.7
235.13292	78.0
247.08696	16.5
289.17963	57.4
353.08499	14.9
378.25693	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	378.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26124	1.9
55.05497	4.6
61.02915	3.4
67.05507	5.4
69.03429	18.9
69.07062	6.2
69.49197	13.8
69.49604	3.8
70.06586	10.8
71.04987	2.0
71.06901	2.3
73.02905	3.2
75.04469	2.2
75.46323	1.9
79.05493	11.9
81.03428	3.6
81.07061	78.6
81.07546	4.3
83.04991	4.0
83.08620	3.0
85.02909	27.0
85.06535	3.2
87.04452	3.7
91.03965	3.2
91.05470	5.2
92.05859	2.2
93.07059	10.6
95.04960	2.9
95.08603	14.3
97.02898	9.3
97.06515	3.8
98.20811	4.1
98.97613	2.3
101.54605	2.0
105.07024	9.5
107.08591	20.7
109.06491	2.8
109.10152	5.2
117.06988	3.2
121.06522	4.0
121.10125	3.6
125.06023	2.3
127.03894	5.5
130.07797	5.5
135.08099	2.4
135.11684	20.1
137.13260	25.9
145.04984	5.5
145.10129	100.0
153.12756	48.8
163.11180	94.0
180.08690	3.9
181.12230	42.6
197.09465	2.4
198.10298	29.4
199.13301	88.2
216.11316	84.4
302.17560	8.9
315.90826	2.4
334.20081	9.7
378.16455	11.5
378.22778	4.8
379.15442	2.5
396.36319	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	379.1498
Annotation	heptacene
Peak:m/z	Relative Intensity
50.12761	0.2
51.60117	0.2
53.03942	1.1
55.01851	0.7
57.03427	1.9
57.16505	0.2
59.04984	0.4
61.02930	3.4
69.03430	10.8
69.25639	2.1
70.06567	0.3
71.04969	1.0
72.08130	0.6
73.02917	1.8
80.80567	0.2
81.03423	3.4
83.01305	0.3
85.02905	16.2
86.06057	0.2
86.09705	0.3
87.04472	2.3
91.03950	1.2
96.04485	0.5
97.02892	6.9
98.06044	0.3
98.21501	0.4
99.04439	1.3
101.02347	0.5
104.04987	1.7
107.04955	0.5
109.02872	1.8
114.83634	0.2
120.04439	1.0
127.03921	3.5
129.71371	0.2
130.02856	0.2
130.06444	0.2
130.31378	0.2
136.68889	0.2
145.04114	0.2
145.04971	2.1
146.15538	0.2
147.05495	0.8
175.05029	1.8
184.06294	2.2
197.07027	0.2
199.08658	36.4
200.09076	0.2
217.09715	100.0
218.10028	0.8
285.21213	0.2
379.14996	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	379.2995
Annotation	(22E)-Cholesta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
50.76061	0.1
55.05512	1.8
57.03413	0.2
57.07053	0.4
67.05201	0.2
67.05509	2.6
69.07071	1.6
69.82296	0.8
79.05077	0.2
79.05495	2.0
81.06620	0.2
81.07059	3.2
83.08604	0.6
91.04910	0.2
91.05471	2.5
93.07040	7.2
95.04923	0.5
95.08606	6.0
97.06516	0.2
97.10146	1.0
99.08056	0.2
103.05441	0.2
105.03361	0.1
105.07030	7.9
107.08592	6.6
109.10157	2.7
111.08067	0.4
117.07007	1.1
119.08579	5.3
121.10145	4.1
123.08013	0.2
123.11712	1.2
128.06200	0.4
129.07014	0.8
130.07787	0.2
131.07626	0.3
131.08565	4.2
133.10127	3.5
135.11687	8.8
137.13251	0.4
141.06982	0.6
142.07738	0.8
143.08559	2.8
144.09319	0.3
145.10117	4.8
147.11679	7.8
148.12051	0.2
149.13263	1.2
153.07011	0.2
154.07698	0.2
155.07422	0.2
155.08569	1.8
156.09337	0.4
157.10121	3.1
158.10849	0.2
159.11685	4.2
160.12192	0.2
161.13258	3.1
163.14850	0.2
164.16833	0.1
165.07001	0.2
167.08560	0.5
168.09340	0.5
169.10117	3.4
170.10904	0.8
171.11673	3.4
172.12343	0.2
173.13266	2.8
175.14835	1.1
176.11731	0.1
177.16341	0.1
179.08499	0.3
180.09210	0.2
181.10127	1.4
182.10875	0.8
183.11690	4.7
184.12390	0.5
185.13260	3.9
185.14902	0.3
187.14801	1.5
189.16423	0.3
194.10950	0.2
195.11681	7.0
196.12431	0.9
197.13239	4.9
198.14047	0.8
199.14825	2.3
200.15182	0.2
201.16296	0.7
207.11629	0.4
208.12427	0.2
209.13251	2.1
210.14015	6.3
211.14810	4.7
212.15369	0.3
213.16362	3.9
215.17937	1.7
221.13258	0.5
223.14807	1.2
224.13432	0.2
224.15524	0.7
225.16368	26.5
226.16841	1.4
227.17946	2.7
231.17508	1.1
235.14874	0.4
236.15578	0.2
237.16336	1.1
239.17940	8.6
240.18645	2.3
241.19322	0.2
243.17294	0.2
246.10666	0.2
249.16364	0.4
251.17932	1.7
252.18526	0.2
253.19484	1.1
263.17953	0.3
265.19547	1.6
267.21042	1.2
269.19040	0.5
271.20572	0.6
277.19580	0.6
278.20193	0.3
279.21127	0.5
281.22711	0.2
283.20590	1.0
285.22391	0.1
291.21008	1.0
292.21759	0.2
293.22620	1.5
294.22833	0.1
305.22684	0.5
309.22177	0.3
319.24304	0.3
331.24179	0.4
346.26297	0.3
349.25296	2.8
361.28882	4.4
361.33453	0.2
362.29108	0.3
364.27692	0.2
379.29938	100.0
380.30316	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	380.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
57.03445	0.4
62.60584	0.3
63.57600	0.2
67.05508	0.6
69.03434	0.4
70.06599	0.4
71.04977	0.4
71.49142	0.5
72.08131	0.4
73.58813	0.2
77.49965	0.2
78.17441	0.3
79.05493	0.7
79.80992	0.2
81.03391	0.9
81.07047	0.6
83.04987	0.4
83.08620	0.6
84.08154	0.3
85.02888	1.1
86.09698	0.3
91.05499	0.5
93.07058	0.6
94.04052	0.3
95.08583	0.9
97.02897	0.6
105.07052	0.5
107.04919	0.4
109.05109	0.9
109.10142	0.5
110.03543	2.2
114.18583	0.2
119.08559	0.8
120.08115	0.7
128.04541	2.1
131.08562	0.3
134.04594	0.4
135.02980	1.6
136.06213	0.5
136.07547	0.7
137.09650	0.5
147.04503	0.5
147.05576	0.9
152.05676	100.0
153.04085	9.8
153.05318	0.3
155.10672	0.7
164.07028	0.5
165.09105	0.9
183.10120	0.3
201.11337	2.0
211.13416	0.3
218.11836	0.4
219.11307	1.0
251.60748	0.3
310.48767	0.3
330.81229	0.3
362.18219	3.9
380.19302	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	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	2.9
57.03441	1.9
59.30392	1.8
59.38456	1.7
67.05509	15.2
69.03418	4.2
69.07067	2.4
70.06586	1.8
70.55768	4.2
70.56125	5.3
71.04967	2.7
72.42825	1.9
79.05513	4.9
81.03422	4.0
81.07060	13.7
85.02888	12.2
86.09700	3.8
90.07897	1.9
91.05490	3.7
93.07063	5.5
94.84289	1.7
95.04977	4.1
95.08629	12.4
97.02886	5.0
99.04460	3.1
100.20599	1.9
101.14561	1.7
107.04959	2.3
109.06519	2.2
109.10162	64.1
119.08611	4.1
119.50699	2.1
120.08112	4.9
121.10157	2.9
125.06017	8.8
135.03059	3.1
136.06219	5.8
137.09619	100.0
147.04437	2.4
152.05684	58.9
153.04105	8.4
155.10669	36.2
162.07777	6.2
165.07011	2.4
165.09128	57.6
183.10182	19.7
188.63293	2.2
189.05025	2.3
190.07353	2.2
201.11226	89.3
202.11597	2.1
219.12314	7.0
344.58344	2.1
362.18253	9.6
380.19336	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	380.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89861	0.4
53.50474	0.5
55.01874	0.6
55.05510	1.7
56.05026	0.5
57.03420	0.8
58.96852	0.5
61.01127	0.5
62.42822	0.5
67.05496	6.5
69.03423	1.2
70.96185	1.0
71.04973	0.6
74.06064	1.6
79.05479	1.7
81.03411	2.0
81.07055	7.5
83.04999	0.5
84.04504	0.6
84.08134	0.6
85.02890	3.1
86.09709	2.8
86.33743	0.5
91.05466	1.0
93.07020	1.6
95.04955	1.5
95.08614	4.7
97.02891	1.1
99.04440	1.3
99.08101	1.1
101.07160	0.7
105.07018	0.8
107.04936	1.2
107.08611	0.7
109.10154	30.4
110.03527	1.8
110.10351	0.5
111.04411	1.7
113.05969	0.6
119.08572	1.8
120.08082	0.9
121.10151	1.4
125.05981	2.1
128.04552	1.8
133.10260	0.5
135.03021	2.0
135.04091	0.5
137.09610	22.8
142.12230	0.5
146.05965	0.5
147.05539	1.8
147.08073	2.7
148.05832	1.3
151.03798	0.5
152.05667	100.0
153.04071	9.0
155.10657	14.1
165.09111	21.4
165.10548	0.7
166.08612	0.5
179.98288	0.5
183.10161	19.1
187.14441	2.1
190.58542	0.5
201.11220	37.2
211.13184	1.0
215.13983	0.9
219.12257	1.6
220.11598	0.9
327.65646	0.5
341.57056	0.5
362.18268	6.2
380.15173	0.9
380.19333	14.3
380.24197	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	380.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.0
53.76460	3.5
55.01872	6.2
55.05496	6.4
56.96553	6.9
61.02909	6.3
65.61821	4.2
67.05503	4.8
67.83660	3.9
69.03415	16.1
70.06596	5.6
71.49115	5.9
71.49512	5.6
73.02901	10.4
75.19410	4.5
79.05449	5.7
81.03404	6.0
81.07030	6.1
83.08619	5.5
84.04508	6.6
84.08109	5.2
85.02909	27.1
89.01108	3.7
91.05466	5.5
93.07031	21.9
95.04942	4.7
95.08577	6.7
95.84474	4.0
97.02866	11.1
97.06520	4.7
98.97586	12.9
104.22871	4.1
105.07022	6.2
107.08595	7.8
109.02808	4.2
109.06542	4.9
109.10164	8.4
110.01271	3.9
111.08068	7.6
116.98558	12.2
119.04915	5.2
119.08588	12.8
121.10142	29.8
125.09650	4.9
128.34476	4.2
128.98598	6.6
130.87677	4.1
134.99640	9.9
135.08055	10.8
136.07503	5.1
137.05965	4.5
137.09543	5.6
144.04462	4.8
145.04921	4.0
146.99680	6.6
147.04378	15.2
147.07959	6.4
153.09096	30.3
165.09119	9.7
165.80214	3.6
177.00775	10.2
183.10092	6.6
201.11235	100.0
218.08142	4.6
237.02818	17.4
320.11169	4.3
355.07050	12.6
358.59250	4.2
373.08047	11.1
381.11850	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	380.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93110	2.5
55.05501	9.0
55.07562	2.6
57.03424	4.4
61.02919	4.0
67.05507	18.5
69.03423	6.2
69.07060	9.3
69.37623	9.0
69.38050	13.9
70.06579	2.9
71.04986	7.5
79.05488	8.4
81.03397	5.2
81.07054	47.2
83.04964	3.9
83.08612	6.3
84.08131	2.7
85.02928	12.7
85.06543	5.1
91.05488	15.9
93.07034	11.2
95.04961	3.1
95.08611	15.4
97.02896	5.3
97.06509	7.5
97.10179	2.5
105.07045	21.4
107.08580	13.1
109.06484	3.4
109.10146	6.1
116.70409	2.8
119.03551	4.0
119.08560	15.2
121.10149	20.4
123.11710	78.8
133.10184	4.7
135.08022	3.7
136.06180	98.8
137.09644	4.1
137.13242	12.1
145.04994	4.8
145.10120	6.6
147.11679	51.6
153.01843	6.6
155.14177	2.7
162.07758	100.0
165.12752	58.7
183.13870	14.6
184.11276	3.1
199.03636	2.7
201.14882	3.9
219.11380	3.5
245.10440	3.5
255.06587	3.8
261.09048	3.2
265.49634	2.9
327.04956	3.9
344.16953	5.0
362.18500	3.5
380.19250	30.9
381.09561	35.4
381.13742	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44156	2.7
58.62821	2.9
59.93694	2.6
66.41194	2.7
69.54091	14.8
69.54497	7.4
79.73890	2.7
95.46575	2.9
96.54729	2.6
127.24288	2.7
147.88847	2.9
188.86952	2.7
219.02576	5.7
287.11063	3.6
289.21194	3.4
381.07950	100.0
382.08102	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70256	13.5
91.26852	2.1
107.89941	2.6
111.78083	2.1
121.67398	2.2
381.07938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01860	0.4
55.05510	1.3
56.96539	0.6
57.03416	0.6
61.02916	0.2
63.02346	0.4
65.03923	0.2
65.93620	0.2
67.05505	1.9
68.27348	0.2
68.99753	0.3
69.03414	0.8
69.07055	0.9
71.04969	0.7
71.49889	0.4
78.04622	0.2
79.05487	2.1
81.03392	0.7
81.07060	1.8
83.04960	0.5
83.08585	0.7
85.02876	0.6
91.05467	2.3
93.07042	2.2
95.04958	2.0
95.08601	1.1
96.04489	0.3
97.02901	1.6
97.06538	1.4
97.10149	0.8
98.97538	0.3
102.03970	0.2
103.05441	0.8
105.03328	0.2
105.07024	1.6
106.06529	0.3
107.04936	0.6
107.08607	1.1
109.02924	0.3
109.06508	0.7
109.10143	0.8
111.08038	0.3
112.54250	0.2
115.05458	0.7
117.07026	0.9
118.06530	3.8
119.01269	0.3
119.04916	0.3
119.08598	1.2
121.06482	1.6
121.10108	0.7
123.04408	0.7
123.08080	0.2
124.03953	1.9
125.09622	0.9
126.05501	0.2
129.07004	0.6
130.06502	1.3
131.08556	0.7
133.02864	0.2
133.10095	1.0
134.03641	0.3
134.99667	0.2
135.04402	0.5
135.08026	0.7
135.11710	0.4
137.05968	0.5
137.09610	1.0
139.07431	0.2
141.06906	0.2
142.06525	1.3
142.07492	0.3
143.07291	1.3
143.08510	0.6
144.08075	3.3
145.06435	0.3
145.10101	0.8
146.06006	9.3
147.04396	0.3
147.05421	0.2
147.08061	0.3
147.11647	0.8
149.05963	0.7
149.09592	0.4
151.03871	0.5
151.07491	0.2
153.07042	0.2
156.08099	0.5
157.10091	0.5
158.09642	0.2
159.04378	0.2
159.08105	0.5
159.11632	0.4
160.07593	0.3
161.02280	0.2
161.09601	0.5
163.03879	1.3
163.11137	0.3
165.06972	0.3
167.07301	0.4
168.06822	0.4
168.08061	1.8
169.07600	100.0
170.06004	2.1
170.07939	2.9
170.09496	0.3
171.11690	0.3
173.09604	0.9
175.11230	0.3
177.00699	0.2
177.05406	0.2
180.08144	0.2
182.08377	2.0
183.09140	1.0
183.11710	0.3
187.14853	0.3
188.07059	13.5
189.07425	0.4
189.11281	0.2
191.03413	0.5
191.07109	0.2
192.08046	0.5
194.08171	0.4
195.09189	0.8
197.09676	0.2
199.03928	0.3
201.16273	0.2
203.03369	0.7
206.08319	0.3
207.06543	0.8
207.09276	0.4
209.10786	0.2
211.03905	0.2
213.05435	0.2
214.08551	0.2
215.08159	7.5
216.04196	0.2
217.07191	0.2
219.09164	0.7
219.11162	0.2
220.07613	0.7
221.10788	0.5
223.03979	0.5
225.05481	0.4
226.06247	0.2
231.09254	0.2
235.08659	1.2
237.10275	1.7
238.06287	0.2
238.08578	0.3
239.03448	1.3
247.08669	1.2
247.12358	0.3
248.07077	0.8
249.10384	0.4
250.07181	0.3
251.03508	0.5
251.08180	0.3
257.06949	0.4
257.10675	0.2
259.09680	0.2
261.18564	0.6
263.08096	1.1
265.09702	10.8
266.10083	0.5
267.02908	0.4
271.16849	0.5
279.02917	0.3
281.09244	0.8
285.10126	0.6
289.13419	0.5
289.18069	1.7
291.14990	0.2
293.04352	0.2
293.09067	1.2
294.05478	0.3
301.09579	0.2
307.14487	0.7
307.18842	0.2
310.04633	0.2
311.10226	3.4
317.12811	1.5
321.08047	0.2
335.13876	54.1
336.14224	3.9
353.06549	7.6
354.06854	0.7
363.13483	2.5
363.21542	0.7
381.06107	6.6
381.14395	5.5
381.18680	1.5
381.22705	4.8
382.06537	0.6
382.14734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.05521	8.5
57.03448	2.0
61.02924	1.6
69.03425	9.4
70.42263	1.4
73.02908	2.2
73.06551	2.6
81.03396	2.1
85.02909	15.1
97.02908	5.3
99.04489	2.2
101.16547	1.3
109.02823	1.5
127.03912	2.5
129.04480	6.1
130.02859	1.5
147.05534	80.3
159.05576	8.6
165.39598	1.2
177.06596	4.4
201.10249	30.4
219.11304	100.0
220.11673	2.2
239.09283	1.4
275.71536	1.5
313.31384	1.4
381.16418	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	381.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41523	0.1
53.03933	0.2
54.09924	0.1
55.01862	0.1
55.05511	0.3
57.03419	0.3
61.02895	0.4
61.04860	0.1
62.67404	0.1
69.03436	1.1
71.19134	0.3
73.02898	0.3
81.03408	0.4
82.06563	0.2
85.02441	0.2
85.02907	1.9
87.04459	0.3
97.02900	0.7
99.04421	0.1
114.10503	0.1
116.78191	0.1
120.04448	0.8
127.03884	0.3
129.04503	0.3
132.08055	0.1
137.04782	0.1
144.04474	0.2
145.03923	0.2
145.04951	0.2
146.05975	0.1
146.09628	0.3
147.05516	0.2
148.07433	0.1
156.08067	0.5
158.09656	0.3
160.06332	5.7
160.07602	0.4
161.07027	0.1
163.14212	0.1
164.07086	0.1
173.07092	0.7
174.07738	0.2
174.09091	0.9
177.06541	0.4
183.09161	0.3
183.13429	0.1
184.07585	2.5
185.07133	0.4
186.07890	1.3
201.10226	45.3
202.08611	2.0
202.10561	1.1
219.11284	100.0
220.11621	3.6
381.16565	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	381.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
56.96566	25.8
57.03421	1.3
57.23490	0.7
67.05505	4.5
69.03438	1.3
69.07072	3.7
71.04979	1.2
71.49876	1.5
71.50256	0.7
71.95256	2.8
72.76652	0.6
74.97611	1.4
79.05502	4.9
80.48872	0.8
81.03393	1.4
81.07051	6.5
83.04991	1.1
83.08600	1.4
84.96044	0.8
91.05472	4.1
93.07027	4.1
95.04958	1.8
95.08588	2.6
97.06506	2.0
97.10174	1.2
97.96834	0.8
98.06867	0.8
98.97549	1.0
105.07029	3.3
107.08585	2.9
109.06517	1.0
109.10137	2.3
110.97565	1.7
115.05467	0.9
115.97796	1.1
116.98624	1.5
117.07016	1.1
119.08578	3.6
121.06517	1.1
121.10163	2.1
125.09612	1.5
128.98625	4.8
129.06961	1.4
131.08548	2.1
133.01697	0.7
133.06544	0.9
133.10162	2.2
134.99615	1.2
135.08041	1.9
135.11693	1.2
143.08539	1.7
145.10091	1.4
146.99646	6.7
147.05492	1.1
147.11671	1.3
149.01132	1.3
149.09679	1.0
155.03766	1.4
157.01833	0.7
157.10158	1.8
159.11679	2.2
161.01259	2.2
161.04831	1.1
161.09572	1.1
161.13202	1.1
165.00739	2.4
169.10172	1.0
171.03307	0.9
171.11618	1.2
173.09636	1.3
173.13229	0.8
175.02863	1.2
175.14793	1.4
181.05394	1.1
181.45947	0.7
183.03276	0.8
183.11604	0.9
185.04820	1.0
189.04361	1.3
190.05206	0.9
197.04886	0.9
199.06479	3.6
201.07993	1.7
203.05901	3.0
205.05220	0.9
205.07198	0.8
207.06859	0.8
211.02763	1.4
211.06369	1.9
213.07967	2.1
214.05074	1.7
215.05846	1.3
217.07466	7.1
219.09058	1.3
219.11244	1.5
225.04364	1.5
225.07922	2.2
229.07472	17.3
231.08893	3.6
239.09422	4.6
241.11116	4.4
243.09038	2.4
247.08524	17.6
251.09468	1.7
252.08975	1.3
253.11002	1.8
255.09068	3.4
257.10599	7.8
258.29684	0.8
259.12228	6.3
261.10181	1.2
265.11087	3.2
268.09741	1.7
269.10577	6.1
270.10126	0.8
271.12137	1.9
273.10141	2.3
283.12173	13.9
287.11646	3.8
289.17938	1.3
293.14157	1.1
297.06351	0.8
297.10022	1.3
298.06366	4.5
299.05957	1.3
301.13159	3.9
305.14291	4.2
306.13754	1.8
311.11728	1.5
313.14294	1.1
315.16376	1.2
316.07520	3.5
317.06873	1.1
323.15265	5.9
329.12595	2.3
331.15796	6.2
333.17416	3.2
341.16284	0.9
349.16675	7.3
351.18399	2.6
358.08505	1.3
363.18292	2.0
363.22131	1.7
367.17877	2.0
372.18436	1.6
376.09384	1.3
381.19437	100.0
381.31696	3.1
382.19705	2.6
392.97153	0.8
399.20547	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	381.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01871	28.7
55.05244	2.7
55.05510	55.0
55.54630	1.9
56.96560	4.9
57.03440	50.3
57.07064	3.4
59.04986	4.2
65.03938	4.2
67.05502	63.5
67.19513	1.8
68.74680	1.8
69.03420	8.0
69.07065	21.5
70.75667	4.3
70.76011	2.5
71.01353	2.5
71.04994	12.1
72.96831	1.7
73.02910	4.6
79.05492	67.4
81.03419	24.6
81.07054	76.1
82.23431	2.0
83.01343	11.1
83.04978	48.7
83.08612	23.4
84.02110	7.5
85.02900	11.7
85.06580	3.8
91.05478	39.9
92.80758	2.3
93.07043	61.9
95.04968	25.1
95.08604	28.3
97.02890	12.3
97.06535	27.1
97.10172	20.1
97.93505	2.3
98.91721	1.9
99.04453	6.7
99.08097	9.5
105.07031	29.1
107.04935	19.5
107.05553	2.4
107.08586	44.9
109.02876	1.9
109.06522	20.6
109.10153	18.6
111.04444	31.0
111.08060	16.2
115.05458	4.1
117.07016	21.8
119.08576	39.2
121.06510	14.1
121.10148	26.1
122.30286	1.9
123.08073	19.8
123.11714	3.1
125.05988	5.5
125.09638	22.4
127.03934	2.1
128.06274	3.2
129.05460	4.0
129.06990	9.3
130.07758	3.0
130.98897	1.8
131.08513	16.1
133.06522	5.3
133.10126	10.9
135.08054	22.4
135.11697	28.4
135.15457	1.8
137.05962	5.3
137.09624	10.2
139.07535	2.5
143.08568	7.2
145.06473	4.8
145.10132	34.8
147.05511	3.2
147.08080	7.9
147.11702	9.2
149.01306	2.0
149.09608	10.1
151.11172	3.6
153.09091	4.0
153.12746	18.7
155.08595	5.6
157.10161	6.5
159.08026	13.9
159.11682	7.5
161.09628	6.1
163.07567	5.1
163.11183	61.6
165.09073	2.7
165.12773	2.3
167.06918	2.0
169.10138	4.8
171.10330	2.2
171.11732	3.3
173.09630	21.3
175.07597	3.8
175.11192	4.9
177.09172	3.9
181.12212	20.6
187.11172	4.1
189.11252	15.2
191.10654	20.0
201.12917	2.6
201.16396	2.4
209.09756	4.0
209.11723	36.5
211.15028	2.4
219.11430	2.9
225.16489	4.7
227.12746	35.3
227.14894	2.0
229.07547	2.5
243.17503	4.3
253.15889	2.1
261.18442	10.6
267.09143	2.9
271.16962	13.7
283.08688	2.7
283.15381	74.3
284.16208	12.0
285.10239	2.2
289.17984	46.6
307.19061	10.5
356.15637	2.3
363.21631	10.1
381.18677	14.2
381.22784	100.0
382.23145	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	381.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.6
55.01871	33.7
55.05244	3.4
55.05511	60.1
56.96556	8.4
57.03436	67.9
57.07064	5.3
59.04991	6.0
60.64143	2.0
61.02928	6.0
65.03941	5.4
67.05510	75.5
67.49530	2.3
69.03439	10.4
69.07071	29.6
70.06573	3.5
70.17552	9.5
70.17899	1.9
71.01360	4.4
71.04995	13.0
73.02908	6.7
79.05497	84.9
81.03414	30.5
81.07057	100.0
81.07549	4.9
83.01340	11.3
83.04985	62.4
83.08618	38.2
84.02124	9.9
85.02904	15.1
85.06542	6.3
91.00118	2.5
91.05485	55.5
93.07051	81.7
95.04971	37.8
95.08614	39.2
97.02895	20.7
97.06534	31.0
97.10178	26.0
98.07315	4.2
99.04430	9.7
99.08090	9.6
103.03976	3.5
103.05456	3.2
105.07037	43.8
107.04955	27.1
107.07887	4.1
107.08593	57.3
109.06512	28.5
109.10161	23.6
110.12856	1.9
111.04452	36.9
111.08080	22.0
113.06032	3.5
115.05412	5.1
116.04745	3.5
116.98653	2.6
117.07031	27.1
119.08586	54.0
121.06507	15.1
121.10146	32.8
121.63972	2.1
123.04447	2.6
123.08089	19.1
123.11749	4.3
125.05964	6.2
125.09644	25.6
127.03931	2.3
128.06248	2.5
129.05463	7.2
129.07027	8.3
130.07828	3.2
131.04884	2.3
131.08571	23.2
133.10133	15.6
135.08083	20.8
135.11691	37.4
137.05933	5.5
137.09615	11.6
139.07556	6.1
141.06963	3.5
143.08574	8.2
145.06508	6.8
145.09085	1.8
145.10129	48.9
146.25412	2.3
147.05539	4.1
147.08026	8.9
147.11696	10.2
149.01265	5.0
149.02319	3.2
149.06027	3.6
149.09622	12.6
149.13214	3.2
151.07553	4.1
151.11203	3.6
153.09068	4.0
153.12761	23.9
155.08524	7.4
157.10103	8.4
159.08061	12.9
159.11690	7.4
161.09593	6.7
161.10822	2.2
161.13225	2.9
163.07527	4.8
163.11182	83.7
163.64034	2.6
169.10112	3.0
171.11700	4.6
173.09654	27.5
173.11208	3.3
173.11760	4.1
173.13208	7.1
175.07559	4.1
175.11128	3.3
177.09235	3.3
181.12234	30.8
181.26242	2.2
182.07777	2.8
183.11769	4.2
185.09595	2.8
187.11154	5.1
187.14882	2.6
189.11220	15.5
191.10649	19.1
193.04962	6.6
193.12227	5.1
195.11784	2.3
199.14885	2.5
209.11702	55.2
209.13664	3.1
210.12451	3.0
211.13159	3.0
211.14937	4.3
217.07414	2.2
219.11299	3.8
225.16548	2.8
227.12759	51.6
229.07419	5.0
233.15440	2.7
243.17365	5.4
253.10503	2.5
257.06937	6.1
259.08685	3.6
261.18530	7.8
267.09155	5.3
271.16919	9.9
273.10168	3.4
283.15405	80.2
284.16174	13.5
285.10043	11.7
286.10309	3.1
289.17953	41.2
307.19073	10.0
353.06592	6.1
363.21542	6.8
381.06003	3.9
381.18628	34.2
381.22714	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47576	0.3
55.01862	0.9
55.05498	1.3
61.02900	0.4
67.04239	0.5
67.05503	0.5
69.03410	0.7
69.86491	2.0
70.06593	0.5
73.32423	0.3
79.05486	0.6
80.04994	0.7
81.07039	0.9
82.06580	9.8
83.04970	0.5
85.02906	0.7
86.09761	0.4
88.85647	0.4
91.05529	0.7
93.07017	0.9
94.06648	0.4
95.04393	0.5
95.04974	6.9
95.08614	0.8
96.08125	0.9
97.02934	0.7
98.09709	1.8
98.98497	0.6
107.53626	0.3
109.06529	1.1
110.06048	1.9
110.09680	23.3
120.08102	35.4
121.06503	35.1
124.07596	0.4
129.04488	10.2
130.02852	1.8
131.06049	0.4
132.04459	1.0
136.06133	0.4
136.07536	0.4
138.09138	100.0
139.09453	1.1
143.07062	0.7
144.04417	0.6
147.05530	12.5
149.05945	0.5
159.05539	16.9
174.05583	0.4
177.06586	11.2
180.04204	6.4
185.08076	1.1
187.05025	16.7
203.08095	4.7
204.85373	0.4
220.06232	1.0
223.08704	0.6
266.12836	2.0
284.13931	28.1
361.06079	0.4
366.49570	0.3
382.11508	4.0
383.13229	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	382.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
54.95905	0.4
55.01867	1.5
55.05501	1.6
56.96558	0.5
60.04522	0.8
67.04242	0.5
67.05507	0.8
67.62144	0.4
68.05018	0.7
69.03419	1.5
69.07056	0.7
69.59116	2.1
70.06596	1.2
71.04987	0.7
72.08126	0.7
74.06096	0.5
79.05486	1.3
80.05022	0.7
81.03403	0.8
81.07052	1.9
82.06581	11.2
83.05008	0.6
84.04514	0.6
84.08148	0.9
84.26952	0.4
85.02899	3.1
91.05474	1.2
92.36233	0.5
93.07047	3.0
95.04966	8.0
95.08591	1.2
96.08128	0.9
97.02891	1.2
98.06056	0.7
98.09699	2.5
98.98488	0.9
100.07618	0.6
109.06533	1.1
110.06033	1.8
110.09679	26.1
116.98621	0.7
118.06539	1.6
120.08105	37.3
120.77707	0.5
121.06507	41.9
122.06830	0.6
124.07642	0.5
125.05975	0.8
126.05531	0.7
127.03950	0.7
129.04491	11.5
130.02881	1.7
132.04440	0.8
136.06187	20.8
138.09140	100.0
139.09491	0.8
143.07018	1.8
144.04446	1.1
147.04514	0.6
147.05528	14.8
148.06174	1.6
149.05968	1.3
159.05542	15.5
159.06818	0.9
163.03917	0.5
167.07065	0.7
174.05495	0.8
177.06606	12.8
179.03386	0.6
180.04196	6.3
185.08139	4.2
187.05032	16.6
195.01596	0.5
202.10896	1.4
203.08034	4.5
220.06030	2.4
220.09975	0.6
220.11916	17.0
266.12918	2.1
284.13940	27.0
382.11523	4.3
382.17206	10.5
383.13116	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	382.171
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.27756	2.3
56.96567	6.3
57.07072	3.6
59.04988	3.1
61.02935	2.9
64.65348	2.3
67.05504	4.8
69.03428	6.9
69.07046	4.5
69.74693	15.2
70.06581	3.6
71.04935	2.3
72.04515	9.1
72.08897	2.6
73.02920	4.0
81.03428	5.9
84.04512	3.5
84.08148	36.7
85.02913	25.2
85.06541	7.1
86.09703	4.7
87.05624	2.7
90.05560	65.3
93.07027	4.3
95.04963	6.0
97.02884	9.2
98.02441	7.7
98.97604	6.3
103.07503	3.1
116.03445	10.4
116.98603	7.0
120.08128	11.3
121.06492	3.0
123.09182	2.9
124.07602	8.6
127.03883	4.4
134.99637	2.7
136.06226	3.6
142.08626	4.5
144.08086	3.2
146.99655	5.2
148.06085	3.2
154.79030	2.5
184.09666	14.4
185.08104	3.0
197.44760	2.6
202.10707	21.6
207.11255	12.3
219.01831	3.2
220.11800	100.0
221.12305	3.0
224.06149	2.9
233.06793	10.7
233.57047	3.2
237.02742	5.1
245.38657	2.7
383.08881	14.6
383.13235	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	382.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98633	0.4
56.96564	7.3
57.97335	0.2
63.37125	0.2
70.66498	0.5
71.95264	1.3
98.97581	47.2
99.97945	0.2
116.98621	58.1
117.98987	0.3
118.98993	0.2
120.67220	0.2
134.99657	50.8
136.00009	0.3
137.00061	0.3
140.00180	0.9
153.00706	11.2
158.01274	1.7
174.97641	0.5
176.02287	0.3
177.00957	0.8
178.01096	0.2
181.97334	0.3
192.98750	0.7
198.97609	0.3
216.98814	0.8
219.01971	1.4
220.02179	0.5
221.01872	0.3
225.96291	0.2
233.96809	0.2
234.99858	2.9
236.00050	0.8
236.99782	0.3
240.98651	4.4
241.98975	0.4
250.97818	0.3
251.98045	0.2
253.01059	0.6
254.01086	0.3
258.99768	46.3
259.99951	3.3
261.00003	0.4
261.03064	0.9
262.03091	0.2
262.99908	0.2
263.02914	0.5
264.98959	0.2
274.97797	0.4
275.97861	0.4
276.02228	0.2
277.00818	100.0
278.01022	5.6
279.01086	1.0
282.01352	1.6
282.99939	3.4
284.00040	1.5
284.99802	0.5
291.02380	0.6
292.98718	0.3
295.01901	2.1
299.97952	0.3
300.02377	3.0
301.01022	9.0
302.01132	4.1
303.00830	1.0
316.98798	0.8
317.98871	1.1
318.98660	0.3
319.01996	0.5
320.02261	0.4
324.02435	0.2
325.02466	0.2
341.02164	0.5
341.23773	0.3
341.98779	0.2
359.01895	2.0
360.00024	1.3
360.99457	0.3
377.02588	0.9
378.01413	0.2
378.17731	0.2
379.01031	0.2
382.99371	0.8
383.04086	0.4
401.00952	6.1
402.00970	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	383.0759
Annotation	12a-Hydroxypachyrrhizone
Peak:m/z	Relative Intensity
51.02373	0.4
53.03928	1.5
53.07897	0.3
55.01857	0.5
55.05501	0.4
57.03425	0.6
64.03141	0.4
65.03933	0.4
65.11585	0.3
67.05487	1.5
68.99783	3.0
69.07072	0.4
69.76342	2.4
71.04977	0.4
73.02941	0.4
74.20738	0.3
76.03117	0.4
77.03909	0.5
79.01830	0.4
79.05492	14.4
81.07024	1.0
87.26383	0.4
89.03912	1.4
91.05476	5.7
92.02610	4.5
93.07047	0.8
95.04963	4.8
95.08578	0.7
97.06537	0.4
98.21510	0.5
105.03378	1.2
105.04509	0.9
105.07012	0.7
107.04954	13.3
107.08579	0.4
108.29104	0.3
109.10107	0.9
117.03338	0.6
118.04157	9.7
119.04936	2.6
119.08578	0.6
120.02079	12.8
121.02836	1.2
121.10145	0.7
128.51566	0.4
132.02065	1.3
133.02870	1.2
134.03668	0.5
135.04410	9.6
136.88547	0.4
145.02797	1.2
145.10117	0.5
146.03687	1.9
147.04395	1.1
148.01570	0.5
149.02325	6.3
151.03882	1.0
161.02327	1.3
162.02951	0.4
163.03893	100.0
164.04604	4.5
165.01900	0.4
165.07037	0.5
168.05620	0.4
174.03102	1.5
175.03876	0.8
177.01846	3.7
177.05458	1.6
178.02483	1.8
189.25415	0.3
191.03380	59.2
192.04144	13.9
193.04950	9.3
195.08057	0.4
196.05148	0.4
199.03874	0.5
203.03391	1.7
207.06520	0.9
213.05469	0.5
224.04607	0.8
225.05251	0.5
227.03419	0.5
229.04991	0.8
251.03300	0.4
252.04308	0.9
267.07080	0.5
280.03586	0.5
281.04263	0.6
295.05875	0.5
308.03238	0.4
313.07129	0.7
323.05481	7.2
341.06464	2.3
351.04974	4.1
383.07599	62.9
384.07861	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	383.0762
Annotation	12a-Hydroxypachyrrhizone
Peak:m/z	Relative Intensity
53.03943	0.3
55.01865	0.4
55.05499	1.2
56.96577	0.4
57.03427	0.8
61.02929	0.6
65.03940	0.5
67.05505	1.4
68.99790	2.1
69.03423	1.3
69.07075	2.0
70.06583	0.3
71.04994	0.5
71.49053	0.3
71.49500	0.5
79.05504	2.7
79.99354	0.3
81.03426	0.8
81.07049	2.6
82.06537	0.3
83.04985	0.9
84.48582	0.3
85.02909	2.0
85.06538	0.5
87.04449	0.4
89.03922	0.4
89.23277	0.3
91.05473	2.8
92.02596	0.5
93.07041	1.3
95.04978	1.3
95.08604	1.4
96.75816	0.3
97.02895	1.0
97.06516	0.9
98.97579	0.5
99.04446	0.4
99.08099	0.5
103.05454	1.2
105.07021	1.3
107.04970	2.6
107.08598	1.3
109.06504	0.7
109.10163	1.3
111.08137	0.3
111.11677	0.3
114.03175	0.4
115.05487	0.5
118.04166	0.6
119.04922	1.1
119.08592	1.8
120.02087	1.0
121.02844	0.3
121.06454	0.3
121.10159	1.2
123.04425	0.4
123.11689	0.4
127.03900	0.4
129.07013	0.3
131.04955	0.4
131.08618	0.3
133.02783	0.4
133.10121	1.7
134.03644	0.9
135.04433	1.2
135.08093	0.5
135.11714	0.8
137.02325	0.3
137.05974	0.5
137.09608	0.5
139.03940	0.6
141.01826	1.4
142.07895	0.3
145.02840	0.5
145.10176	0.6
146.03668	0.7
147.04449	1.9
147.08022	1.0
147.11656	0.7
149.02336	1.5
149.27895	0.3
150.03140	0.4
151.03897	0.6
153.05475	2.2
157.06480	0.3
157.10138	0.4
159.11742	0.4
161.02342	0.8
161.09656	0.6
161.13251	1.6
162.03111	0.4
163.03902	9.8
163.11247	0.4
164.01053	0.4
164.04593	0.6
165.01845	1.2
165.09100	0.6
171.04410	0.6
174.03041	0.3
175.03914	8.2
175.11136	0.4
175.14827	0.6
177.01846	2.2
177.05432	0.5
178.02588	1.8
179.03351	2.1
183.11678	0.4
185.05998	0.4
185.13185	0.5
186.03061	0.4
189.01921	0.3
191.03403	5.1
192.04202	4.9
193.01299	1.0
193.04945	1.6
195.02902	1.4
195.04433	0.3
199.03897	2.5
200.04634	0.4
201.05496	0.5
202.02699	0.4
203.03371	0.4
203.14323	1.5
203.17824	0.6
208.03625	0.6
210.06731	0.8
213.05516	1.0
221.06029	0.3
221.11525	0.3
221.15390	1.3
223.03975	0.8
224.04692	1.0
225.03458	0.4
225.05501	0.7
226.02582	0.4
227.03387	3.2
229.04927	0.6
236.04617	0.4
237.05450	1.0
238.06308	0.9
239.03397	0.5
241.04942	1.3
247.08434	0.9
249.05502	0.5
251.03383	0.5
252.04213	1.1
253.04922	1.0
254.02119	0.4
255.02875	3.0
263.03540	0.4
264.04056	0.6
265.05002	1.0
266.05716	1.3
267.06558	0.8
269.04514	1.9
270.05048	0.7
276.07785	0.5
277.04837	0.4
279.03043	1.0
280.03537	1.4
281.04453	4.5
283.05994	0.7
289.06961	0.4
291.02972	0.8
293.04599	0.6
293.07925	0.3
294.05234	2.3
295.05930	1.5
297.03976	2.5
298.04681	1.0
307.02478	0.6
308.03329	0.6
309.03946	0.8
311.05386	0.5
312.06042	0.5
319.02347	1.1
322.04700	3.3
323.05545	1.7
323.12784	0.4
324.06119	0.6
325.03433	8.5
326.04141	1.9
327.09000	0.3
336.02731	0.6
337.03357	1.1
339.05069	0.6
340.05826	4.6
341.06436	2.0
350.04019	0.8
351.04929	2.2
351.08575	0.5
351.12250	0.5
352.05649	0.4
353.02866	0.6
367.04507	0.7
368.05301	4.8
368.12503	0.4
383.07611	100.0
384.07974	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0764
Annotation	12a-Hydroxypachyrrhizone
Peak:m/z	Relative Intensity
53.03934	3.6
55.01855	3.2
55.05505	8.2
56.96562	8.0
57.03436	6.8
57.07073	1.7
61.02910	2.0
67.05500	9.3
68.99792	3.9
69.03439	8.1
69.07078	8.9
71.04987	6.8
71.48901	2.3
73.02905	1.7
79.05502	22.6
81.03412	4.7
81.07056	19.0
83.04980	4.6
83.08615	3.5
85.02888	6.8
85.06551	2.8
89.03920	2.5
91.05489	12.0
92.02620	5.5
93.07050	13.0
95.04960	13.0
95.08620	12.6
96.46799	1.4
97.02895	5.0
97.06544	8.5
97.10157	2.6
99.04430	1.4
99.08115	2.4
101.06004	2.2
103.05459	2.0
105.03378	1.8
105.07029	13.6
107.04970	13.2
107.08594	11.9
109.06541	3.6
109.10169	10.8
111.04446	2.9
115.07522	2.7
117.07020	4.2
118.04167	9.8
119.04952	4.2
119.08604	10.3
120.02074	9.6
121.02839	1.9
121.06493	2.7
121.10158	8.5
123.04456	2.0
123.08089	4.9
123.11745	3.6
125.05991	1.9
125.09621	3.6
127.11225	2.5
128.06194	1.5
129.05457	2.6
129.06981	4.1
131.08571	5.8
133.02898	2.3
133.06493	1.9
133.10170	10.3
135.04422	10.1
135.08054	4.9
135.11668	8.1
137.06010	3.1
137.09625	3.5
142.07733	1.4
143.08560	4.0
145.06453	1.8
145.10146	7.8
146.03688	1.8
147.08011	1.8
147.11667	6.9
149.01288	1.8
149.02335	6.7
149.09596	1.9
149.13367	1.8
151.03926	2.1
151.11203	3.6
152.06093	1.5
153.12706	2.6
157.10158	4.0
159.11682	6.3
161.09628	2.4
161.13284	4.6
163.03908	100.0
164.04623	5.1
171.11684	2.9
174.03062	1.6
175.11176	2.2
175.14870	1.5
177.01888	3.8
177.05547	2.9
177.12743	2.7
181.08727	1.6
183.11734	1.7
185.13177	3.9
187.14861	1.6
189.11305	1.4
189.12828	1.8
189.16400	2.5
191.03398	68.9
192.04160	15.2
193.04951	9.0
193.12231	1.3
195.17397	1.5
197.13321	1.6
199.06297	1.6
199.14830	1.3
201.16321	3.1
203.03470	1.7
203.17918	3.6
211.14861	1.4
215.07121	1.7
217.07472	3.9
221.11937	1.6
221.18958	1.8
227.18141	1.7
229.07442	20.8
244.59843	2.6
245.19057	2.0
247.08546	21.9
252.09291	1.9
273.18594	2.8
291.10052	2.2
291.19595	4.7
310.09048	1.5
323.05655	8.0
323.12982	1.7
329.21313	2.5
337.10892	1.7
341.06497	3.4
347.22159	2.3
351.04791	3.8
351.08722	2.5
365.23334	2.8
383.07608	78.2
383.17453	12.6
383.24500	3.1
384.07678	1.8
401.18951	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	383.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66393	1.2
57.03436	3.2
57.18179	1.2
61.02928	3.8
69.03436	8.1
69.59097	2.6
69.59511	6.5
73.02932	1.5
77.09631	1.5
81.03444	7.6
85.02908	25.6
94.06570	1.6
97.02898	5.7
98.21539	1.5
99.04471	3.7
100.15370	1.5
103.03969	1.6
106.06590	2.2
108.04493	1.7
109.02880	2.5
110.07141	1.4
115.05483	2.6
118.06577	1.5
120.08138	2.3
127.03925	3.5
130.05626	2.2
130.06535	34.5
130.07501	1.7
132.04453	15.8
132.08089	4.8
133.05209	1.6
134.06029	12.8
142.06499	2.0
143.07317	1.4
144.08078	8.3
145.05188	1.8
145.06393	1.4
145.07513	2.9
146.06001	15.7
147.06340	2.3
148.07568	12.9
156.06871	1.9
156.08067	3.3
157.07610	17.0
158.06015	45.6
159.06798	4.9
159.09183	4.9
160.07568	17.1
161.07086	3.5
162.05516	36.2
168.08139	1.6
169.07654	2.0
170.06000	2.1
171.09125	2.2
172.07578	13.8
173.06989	1.4
174.05490	6.2
174.07817	1.8
174.09222	2.2
175.08676	74.4
176.07114	3.9
176.09035	1.4
182.06038	3.0
183.09212	2.7
184.07614	4.9
185.07069	12.3
186.05440	11.7
187.08704	4.1
188.07121	3.9
196.07539	1.8
199.08743	8.8
200.07047	15.5
203.08170	14.4
204.06567	73.5
210.09122	1.7
214.08496	1.5
217.09726	16.9
218.08168	3.6
219.07860	1.9
221.09230	100.0
222.09628	1.6
228.06650	2.9
231.07584	8.8
233.09268	4.3
243.07607	2.5
245.09262	6.1
246.07634	25.9
263.10318	26.6
274.10620	1.9
299.10315	9.5
300.08713	1.7
306.65067	1.8
311.10242	3.7
329.11444	2.9
330.09723	2.6
337.14142	5.2
347.12439	10.5
348.10654	6.9
365.13516	11.1
366.11902	8.0
383.14322	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	383.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01872	1.1
57.03428	2.7
61.02917	2.7
61.96999	0.9
69.03436	8.4
70.25731	3.2
73.02921	1.8
74.02431	1.2
79.72147	1.0
81.03405	5.5
82.02940	1.9
85.02906	23.4
87.04444	1.2
94.06554	1.7
97.02886	8.0
98.30904	0.9
99.04456	1.3
103.03894	1.8
109.02863	2.6
115.05399	1.3
118.06513	3.1
120.08086	1.1
127.03901	4.7
129.07072	1.4
130.06520	49.7
131.06862	1.3
132.04443	15.7
132.08076	4.4
134.05951	1.2
142.06482	1.6
143.07295	1.3
144.06952	1.7
144.08080	19.4
145.05046	2.8
145.07603	19.1
146.06024	8.3
148.07547	4.0
154.06487	3.7
155.06001	1.1
156.08122	3.4
157.07611	48.0
158.06007	35.9
158.08031	1.7
159.09180	7.1
160.07556	1.9
169.07607	4.3
170.06023	2.1
170.08273	1.3
171.09164	6.9
172.07578	9.1
173.07074	1.4
174.05492	5.4
175.08658	47.0
176.07080	1.9
176.08893	1.3
181.07585	3.2
182.08406	2.5
183.09178	12.7
184.06071	2.3
184.07587	1.5
185.07130	9.4
186.05487	2.6
186.07822	2.4
187.08748	2.3
188.07170	2.2
190.08566	1.6
192.48984	1.0
195.09059	1.1
196.07582	1.4
199.08643	10.4
200.07072	13.6
201.10188	1.4
202.07091	1.6
203.08150	100.0
204.06531	5.1
204.08478	2.9
209.07115	8.2
211.08627	1.2
215.08162	3.0
216.06641	1.1
216.08904	3.0
217.09715	35.8
221.09195	55.9
225.95132	1.0
227.08147	13.1
228.06522	2.9
231.07629	6.9
237.10368	1.1
238.08513	1.3
243.07555	1.6
245.09216	26.0
257.09131	1.2
263.10266	47.2
264.10635	1.5
266.08151	1.7
269.09167	2.0
274.10703	1.5
275.10275	1.4
283.10767	1.4
287.10187	1.9
292.11606	1.3
299.10214	6.0
301.12012	1.2
311.10107	3.1
329.11276	4.3
347.12381	11.1
348.10696	10.9
365.13425	35.4
366.13791	1.4
383.09756	1.7
383.14429	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	383.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13406	1.1
53.03936	1.3
55.01879	2.1
56.05023	1.2
56.96563	1.7
57.03432	4.5
59.18422	1.1
60.04513	1.5
61.02921	4.9
62.56164	1.1
69.03432	11.0
70.06596	1.9
70.75119	3.9
71.04991	2.0
71.97894	1.1
73.02922	3.4
73.94934	1.2
74.02454	2.1
81.03417	8.2
82.02943	2.1
83.06081	1.2
84.08142	2.1
85.02908	35.5
87.04482	1.8
91.04012	1.3
91.05447	1.3
94.06561	2.3
97.02902	11.2
98.97586	3.3
99.04465	3.4
103.03946	1.4
109.02905	2.6
110.07166	1.9
114.50634	1.2
116.98613	2.0
118.06546	5.9
120.08131	1.6
123.78997	1.1
127.03928	5.9
128.98619	1.8
130.06531	65.3
131.06859	1.6
132.04466	20.3
132.08084	4.9
134.06062	2.2
134.99641	3.2
136.07521	1.8
138.05551	1.2
142.06554	1.9
144.06892	2.8
144.08078	25.3
145.05078	1.9
145.07597	21.6
146.06038	8.9
148.07590	5.2
154.06544	5.4
156.06816	1.7
156.08124	3.8
157.07614	65.0
158.06015	49.5
159.09155	7.2
160.07608	3.5
166.06520	1.4
167.07263	1.7
169.07588	7.6
170.06049	2.4
170.08409	1.7
171.09184	10.7
172.07570	11.8
173.07175	1.5
174.05478	7.4
175.08675	60.8
176.07117	2.9
177.00702	1.9
181.07611	5.3
182.06038	2.1
182.08359	2.6
183.09180	14.7
184.06152	1.9
184.07626	3.5
185.07095	12.3
186.05515	5.3
186.07910	2.6
187.08652	3.5
188.07066	2.6
196.07603	2.1
198.05504	1.2
199.08652	12.0
200.07080	17.5
201.10333	1.4
203.08157	100.0
204.06596	6.3
204.08427	2.6
207.09286	1.7
209.07109	9.0
215.08165	2.6
216.06555	1.6
216.08952	4.3
217.09723	33.9
219.09282	1.4
221.05626	5.3
221.09204	51.1
222.03909	2.2
222.09637	1.7
227.08167	12.0
228.06528	3.6
231.07582	7.6
237.02937	2.2
238.08662	1.6
243.07613	2.3
245.09245	24.7
246.07637	1.2
257.09244	3.3
263.10275	44.9
266.08218	2.4
269.09256	2.1
274.10757	1.8
275.10263	2.7
284.09149	1.8
287.10236	1.6
292.11908	1.3
299.10355	7.4
311.10266	2.3
319.13171	1.2
329.11307	4.4
347.12509	11.4
348.10754	9.3
365.13416	32.9
383.09479	2.3
383.14340	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	383.1595
Annotation	CHEBI:67508
Peak:m/z	Relative Intensity
51.01362	0.9
53.03909	1.0
55.05499	2.3
56.96565	6.3
59.05017	1.0
60.72796	0.9
66.32992	1.0
67.05509	15.2
69.03421	1.2
69.07056	2.4
70.27673	3.8
71.04993	0.8
79.05483	2.9
81.03404	1.2
81.07054	7.1
83.04967	1.7
83.08621	2.2
91.05469	3.8
93.07053	4.3
95.04932	1.1
95.08614	5.7
97.06525	2.2
105.07018	2.6
107.08597	2.8
109.06538	1.8
109.10145	10.0
119.08580	4.8
121.10165	1.7
123.11750	1.2
131.08580	1.4
133.10117	1.7
135.08017	1.2
137.09593	1.5
145.10121	1.4
147.11720	1.7
155.01003	1.0
155.08530	0.9
155.10718	0.9
157.10104	1.8
159.11723	1.2
163.03926	3.3
173.11736	2.8
175.11171	1.4
185.13242	1.2
189.04337	1.8
191.03391	1.2
199.06435	1.2
201.07832	1.0
211.06416	0.9
216.08951	1.2
217.07423	4.7
223.06444	1.1
227.05942	1.0
229.07513	7.6
241.07521	4.1
245.07137	1.1
247.08545	8.1
259.08472	8.3
267.09122	1.3
277.09515	1.7
282.10229	1.3
285.10110	1.4
299.11752	0.9
301.09708	1.4
326.97607	1.0
347.18213	8.1
383.07724	3.2
383.15961	100.0
383.23273	4.4
383.32919	2.2
384.16257	2.2
395.29529	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82486	2.0
53.03947	4.9
55.01868	8.2
55.05512	13.7
57.03443	13.5
57.07072	3.6
61.02921	8.9
64.39734	2.2
65.03936	5.1
67.05503	35.6
69.03426	18.9
69.07070	16.8
70.17965	7.0
71.01371	6.2
71.04995	22.1
73.02911	11.3
79.05482	20.5
81.03410	6.4
81.07059	58.9
81.18499	2.3
83.04983	9.2
83.08637	4.2
85.02908	22.2
85.06590	2.6
87.04461	4.0
91.05473	26.0
93.07047	45.8
95.04984	15.4
95.08612	88.2
97.02902	15.2
97.06570	6.5
97.10201	6.7
98.20834	2.7
99.04446	5.6
99.08132	3.9
103.03976	5.2
105.07030	56.5
107.04952	3.7
107.08595	27.7
109.06541	7.5
109.10165	32.4
111.04442	6.3
111.08111	8.3
115.03931	7.1
117.07044	11.5
119.08585	100.0
121.06506	5.1
121.10152	41.6
123.08081	19.0
123.11707	15.3
125.09645	5.0
127.03951	3.3
127.07571	2.4
127.11191	12.5
128.06247	5.5
129.05501	4.5
129.07040	6.3
131.08563	22.5
133.04979	10.4
133.06555	3.0
133.10109	18.0
135.08081	5.8
135.11711	11.2
137.05997	6.4
137.09654	14.5
137.13274	4.5
139.11209	3.2
141.06989	2.9
142.07814	11.3
143.08575	15.0
144.09331	5.0
145.04881	2.3
145.06471	3.8
145.10126	33.4
147.08076	3.4
147.11662	33.4
149.09650	4.4
149.13261	7.7
151.07512	3.7
151.11220	8.6
155.03589	2.6
155.07323	2.7
155.08568	10.6
156.09326	6.9
157.06577	3.2
157.10127	47.7
157.52277	2.9
159.08064	4.2
159.11713	42.7
161.09616	4.0
161.13258	14.2
163.11208	5.1
163.14804	4.1
165.09140	5.3
167.08572	4.0
168.09412	3.6
169.08714	2.7
169.10118	14.3
171.11673	21.7
173.05920	2.4
173.09663	4.0
173.11961	2.3
173.13289	11.0
175.11182	6.3
175.14824	4.3
177.12723	4.5
180.67006	2.8
181.08626	3.8
181.10112	3.7
183.11699	12.9
185.09628	5.0
185.13257	5.9
187.14969	4.6
189.12781	3.9
192.09383	3.4
193.10318	2.7
193.12241	4.1
195.11684	8.5
197.13271	6.7
199.11200	4.1
199.14833	6.4
201.12737	14.2
201.16443	5.1
203.14330	2.4
203.17970	11.0
207.11758	8.1
211.14896	2.8
213.12756	6.2
213.16508	3.8
215.14253	2.9
215.17957	5.4
219.13864	8.4
219.17458	8.7
221.11462	5.5
221.13351	3.5
221.18929	12.3
225.10974	2.9
225.12822	6.5
227.17914	3.4
229.15939	3.2
231.17508	10.0
233.18953	15.0
235.13228	3.9
239.52525	2.6
241.15884	4.9
243.13838	6.5
243.17503	4.5
245.18916	12.7
251.18088	2.9
253.14217	4.0
257.18771	3.3
259.16882	2.6
261.14798	5.0
263.20071	3.0
269.19003	5.5
271.15402	3.3
279.15808	2.7
287.20056	4.7
299.20078	2.6
311.20093	9.9
329.21045	13.0
337.10489	3.3
347.22241	9.8
351.12268	4.0
352.13043	2.6
355.11905	2.6
365.23373	11.6
383.16769	24.1
383.24432	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.5
55.01871	15.6
55.05512	38.8
56.96564	6.9
57.03434	14.5
57.07069	6.8
60.04517	4.4
61.02928	15.6
65.03955	6.1
67.05505	38.6
69.03429	37.1
69.07064	37.6
69.28726	3.7
69.29034	37.9
70.06593	10.6
71.01345	5.7
71.04996	49.5
72.08145	6.9
73.02917	8.0
79.05494	51.6
81.03415	28.2
81.07056	100.0
83.04989	14.5
83.08624	15.9
84.04543	4.4
84.08141	4.8
85.02899	53.4
85.06554	13.3
86.09692	9.0
87.04445	4.4
87.08175	3.9
91.05470	40.8
93.07047	70.6
95.04973	31.1
95.08609	54.9
97.02899	26.3
97.06534	20.0
97.10155	8.7
98.21558	7.6
98.97594	6.4
99.04491	3.8
99.08099	5.9
100.11268	15.5
101.94714	3.6
103.03947	10.5
103.05472	7.5
105.07035	72.8
107.04953	13.2
107.08601	72.5
109.06513	20.5
109.09415	4.9
109.10151	70.6
111.04445	12.8
111.08064	10.1
111.11735	6.6
115.05483	4.0
116.98609	4.5
117.07018	12.9
119.04998	4.3
119.08591	64.3
120.08109	5.8
121.06520	16.1
121.10140	39.9
123.04468	9.2
123.08091	17.0
123.11642	20.4
125.09629	16.1
127.03932	11.0
127.11214	22.3
128.06213	7.1
129.05467	5.1
129.07014	10.6
130.07874	5.1
131.04997	7.0
131.08543	31.0
133.06520	7.7
133.10144	48.3
135.04420	5.5
135.08052	29.1
135.11684	45.5
137.05980	13.5
137.09573	13.3
137.13275	7.0
137.28337	3.5
139.11151	6.1
141.11432	5.5
142.07809	8.7
143.08583	22.3
145.06517	5.5
145.10120	37.2
147.05602	4.1
147.08047	12.3
147.11693	39.6
149.01221	5.8
149.02354	6.2
149.09653	14.4
149.13266	12.2
151.07553	7.6
151.11237	5.6
153.01900	4.6
153.12794	21.9
155.08583	5.5
156.09306	4.0
157.10156	26.8
159.08069	9.3
159.11690	43.0
160.05328	4.1
161.05927	5.8
161.09608	11.2
161.13292	18.4
163.03952	12.4
163.07590	4.7
163.11220	4.1
163.14877	5.0
165.05415	6.6
165.09213	5.7
165.12759	4.6
167.08519	3.9
169.10083	10.7
171.06740	6.4
171.08092	7.3
171.11710	18.7
173.09653	6.1
173.13306	13.5
175.07550	5.5
175.11169	18.4
175.14792	9.6
177.05469	8.9
177.09154	6.8
177.12836	6.6
177.16406	5.7
178.04703	4.9
178.07971	4.2
179.03381	6.3
180.07277	12.0
181.10109	6.6
183.11717	14.3
185.13329	8.0
187.11203	4.1
187.14830	11.4
189.09067	4.7
189.12808	10.3
189.16420	6.6
191.03522	7.7
191.63931	3.9
193.12196	9.3
193.15909	9.6
197.13295	8.1
199.11246	7.7
201.12816	7.1
201.16417	8.0
203.10573	4.0
203.17975	15.2
210.14890	6.2
213.12819	4.3
215.18115	5.2
219.08160	7.3
219.17494	7.4
221.05370	16.8
221.11530	7.6
221.18852	4.9
225.12733	9.0
227.17882	6.0
231.17606	5.0
233.19087	6.0
234.06743	5.0
243.13860	5.1
245.18947	12.3
247.07762	4.8
255.17278	4.3
261.09274	5.2
261.14917	4.1
261.18683	7.1
262.06216	7.4
263.06876	3.9
263.20251	5.5
267.09106	13.4
275.06885	4.4
276.07950	4.0
277.08563	10.0
278.05859	4.5
279.06729	4.5
285.10175	25.7
290.09229	4.7
291.10223	7.4
293.08099	10.4
302.13809	4.5
303.17841	5.9
304.07352	4.2
305.08176	12.8
307.06000	4.4
308.06845	4.2
310.74002	5.1
311.20114	8.3
317.21075	4.7
321.18958	5.7
323.09064	7.0
323.12506	5.9
329.21072	12.1
347.22153	10.7
351.08606	30.9
351.12320	8.9
352.09100	8.3
353.10013	5.9
359.14493	4.9
365.23398	11.7
368.12585	4.3
383.10962	33.7
383.14935	23.3
383.20609	15.1
383.24850	6.8
383.32852	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.3
55.05518	6.3
56.05868	0.6
56.96570	0.7
57.03434	3.5
57.07065	0.8
65.03924	1.3
67.05507	14.5
69.07066	5.3
69.62775	4.4
71.04994	1.1
71.08609	0.7
72.26257	0.6
79.05502	6.2
81.07059	28.5
83.04977	2.7
83.08624	2.7
91.05476	3.9
93.06503	0.8
93.07051	6.5
95.04959	1.0
95.08613	7.6
97.06531	2.6
105.07027	4.6
107.04925	0.9
107.08567	5.1
109.06524	11.0
109.10159	9.8
111.04446	18.1
111.08092	1.4
119.08572	5.8
121.10143	4.1
123.08062	1.7
123.11710	2.5
125.06005	6.3
129.06992	0.6
131.08521	2.8
133.10120	5.7
135.08093	3.6
135.11696	4.7
137.05978	100.0
137.09560	1.6
137.13263	2.4
141.05428	1.1
143.08571	1.9
145.10103	1.9
147.08044	2.0
147.11700	6.9
149.09615	3.3
149.13206	1.5
151.07544	2.6
151.11172	1.6
157.10072	2.9
159.11717	1.4
161.09625	6.7
161.13263	2.5
163.03943	1.3
163.11203	3.6
165.09151	2.4
165.12764	1.2
167.10704	0.7
169.97603	0.6
171.11681	1.5
173.11766	2.5
175.11169	5.3
175.14728	1.2
177.09108	0.9
179.10704	2.5
181.12239	0.7
185.13248	1.1
189.12753	1.1
191.03400	1.0
193.12303	1.3
195.88239	0.6
203.17972	5.8
205.19458	0.9
213.16368	2.7
221.18956	2.5
223.14832	1.1
229.07532	1.2
231.17459	9.0
241.15929	1.1
247.08531	1.3
249.18510	13.8
259.08792	0.7
277.17990	65.0
278.18417	1.3
295.19049	21.8
351.21704	4.6
383.07581	1.0
383.16547	1.1
383.24377	13.4
383.74423	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.6
55.01860	11.5
55.05515	54.5
57.01850	4.0
57.03430	15.4
57.07067	10.9
57.49697	4.4
59.05001	7.6
59.94313	3.5
61.02930	8.0
65.03947	7.9
67.05510	45.4
68.01395	3.7
69.03435	39.8
69.07064	30.8
70.06596	6.9
71.05002	42.4
71.48904	7.1
71.50931	4.3
73.02921	10.4
79.05488	51.6
81.03423	23.7
81.07057	100.0
81.07774	4.3
82.06603	7.8
83.04984	29.1
83.08622	23.9
84.08160	8.0
85.02910	43.3
85.06548	10.0
85.44405	4.1
86.09671	5.6
87.04458	5.4
90.72285	3.6
91.05482	39.4
93.07049	62.5
95.04982	44.8
95.08009	5.8
95.08605	75.9
97.02883	28.4
97.06538	19.9
97.10152	6.2
99.04443	14.9
99.08068	6.5
100.07615	7.0
100.09436	8.2
100.11253	74.0
103.03943	16.1
103.05452	9.0
105.07033	72.7
107.04962	85.6
107.08592	53.6
109.02876	30.4
109.06519	33.4
109.10159	51.0
111.04448	27.5
111.08080	7.5
111.11698	4.2
115.03926	6.9
115.05481	7.1
117.06992	19.2
119.04953	4.9
119.07732	4.6
119.08586	74.2
120.08109	5.3
121.06522	19.8
121.10125	49.1
123.04433	15.6
123.08073	17.9
123.11708	23.7
125.02357	6.8
125.06051	6.7
125.09632	10.4
127.03907	6.1
127.11202	11.8
128.07109	4.4
129.05511	6.3
129.06966	6.3
131.04913	7.2
131.08572	28.5
133.04980	4.9
133.06532	4.0
133.10147	47.1
135.04437	24.9
135.08040	12.7
135.11717	37.1
137.05972	12.5
137.09612	16.0
137.13281	12.6
139.03894	30.3
139.11208	5.5
141.06978	4.9
142.07692	5.7
143.08546	16.1
145.06429	4.1
145.10120	34.7
147.08090	15.3
147.11703	38.7
149.06010	13.7
149.09615	9.6
149.13245	13.9
151.03931	19.5
151.11176	8.3
153.01875	6.5
153.05522	8.0
153.09138	4.5
153.12743	14.1
154.02139	4.8
155.02324	5.6
155.08560	7.8
156.09424	5.6
157.04987	6.8
157.10112	37.6
159.11696	43.3
161.06023	6.7
161.09663	9.8
161.13268	21.9
163.03955	7.1
163.07626	5.7
163.11200	9.3
163.14789	4.8
165.05493	78.2
165.09058	9.1
167.07047	8.1
168.17484	17.8
169.10120	11.4
171.11670	17.6
173.09511	6.0
173.13274	13.2
175.11200	10.2
175.14856	12.7
177.05476	26.4
177.09116	5.1
177.12706	8.7
177.16374	4.2
182.15460	25.2
183.11618	11.7
185.13307	10.1
185.20103	7.5
187.11115	6.4
187.14795	11.0
189.12717	6.3
189.16408	12.5
191.14342	7.3
193.12173	4.1
193.15909	8.4
195.06552	15.4
195.11784	5.4
197.13264	6.8
199.07503	8.2
199.14880	6.6
201.12799	6.4
201.16397	12.1
202.16997	4.3
203.14320	9.5
203.17999	13.1
209.08134	15.7
209.16626	6.9
210.14888	31.6
213.12708	10.9
213.16449	6.6
215.14375	4.8
219.08055	6.8
219.17326	5.9
221.15346	12.4
221.18781	7.8
225.12988	5.8
227.09151	7.0
227.17860	14.0
229.08603	7.0
231.07974	4.2
233.19069	10.6
243.13850	6.8
245.18883	9.2
247.07590	8.2
248.08339	12.0
261.09128	6.6
261.20773	8.5
262.09793	4.7
263.10706	7.1
277.08679	4.4
287.20203	6.9
289.08591	5.7
290.09399	5.9
291.10080	9.0
293.08194	6.4
294.15143	4.2
295.23965	4.1
305.20996	5.7
307.09567	7.1
308.10443	8.0
310.75946	40.2
311.20047	6.8
311.26315	9.7
319.09650	7.0
319.27182	7.1
321.18982	4.8
329.21097	11.4
347.22183	11.0
351.12021	13.4
352.12888	4.5
353.10138	8.6
365.19153	6.7
365.23172	18.5
368.12503	13.6
374.29077	9.7
374.79337	7.0
383.10962	8.8
383.15021	50.0
383.20541	15.8
383.24438	17.0
383.28986	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01865	5.5
55.05510	9.8
56.96566	8.9
57.03423	6.1
57.07080	2.1
61.02901	3.2
67.05504	15.0
68.99767	2.4
69.03429	8.7
69.07069	12.9
70.06580	2.2
71.04995	8.3
71.49570	1.6
71.49905	1.7
79.05489	26.8
81.03403	5.7
81.07057	27.6
82.52728	1.4
83.04957	6.4
83.08598	6.9
84.00759	1.4
84.08150	1.6
85.02902	9.2
85.06510	2.9
87.04472	2.1
91.05480	17.2
92.02644	3.8
93.03404	1.5
93.07045	17.1
95.04965	12.1
95.08605	17.2
97.02884	5.7
97.06522	12.8
97.10154	5.6
98.97587	1.8
99.08076	5.1
101.06030	3.8
105.03391	1.9
105.07050	14.5
107.04922	12.9
107.08574	15.6
109.02926	1.8
109.06487	5.0
109.10130	10.0
111.04441	3.7
111.08073	2.1
116.98547	1.8
117.06999	4.8
118.04159	9.5
119.04964	3.3
119.08600	17.0
119.29490	1.5
120.02061	13.3
120.08118	2.9
121.06483	4.3
121.10133	14.6
123.04431	2.0
123.08054	4.5
123.11718	5.3
125.09588	3.8
127.03919	2.3
127.07474	1.9
127.11195	2.9
129.05458	3.9
129.06976	4.1
129.09242	1.8
131.04974	2.3
131.08549	6.1
133.02872	4.2
133.06529	2.3
133.10114	14.4
135.04417	10.2
135.08040	6.0
135.11691	6.8
137.05956	3.5
137.09622	2.4
139.07538	2.4
143.08556	6.0
145.06468	1.8
145.10118	9.9
147.08070	1.8
147.11679	9.6
149.01237	2.8
149.02335	7.9
149.09641	4.2
149.13226	4.2
149.86049	1.5
151.03854	2.5
151.07582	2.1
151.11169	2.7
157.10133	8.2
159.08081	2.5
159.11734	11.8
159.65608	1.6
161.02409	2.5
161.09592	4.2
161.13225	4.0
163.03899	100.0
163.11189	2.8
163.14828	2.1
164.04369	6.0
165.06961	2.2
171.08032	2.5
171.11652	3.5
173.13185	4.8
175.04031	1.7
175.14807	4.0
177.01823	2.4
177.05493	3.3
179.10677	1.5
181.04996	2.3
187.14784	3.3
189.11232	2.7
189.12741	1.8
189.16389	4.7
191.03384	56.8
192.04105	19.4
193.04999	10.0
199.06244	4.0
201.12662	2.0
201.16344	2.8
203.17906	4.6
211.06403	2.7
212.21326	1.7
215.06946	4.1
217.07430	8.0
221.09644	1.6
221.11684	2.4
229.07451	33.7
231.08069	2.4
239.09422	2.1
245.18948	1.9
247.08545	33.8
267.08975	3.2
273.18417	3.9
277.08441	1.8
285.10086	6.0
291.19559	3.9
295.05933	2.4
301.13373	1.6
301.63220	2.7
323.05499	6.5
323.12680	2.4
329.21072	3.9
341.06528	3.1
347.22092	3.4
348.17767	1.9
351.08664	3.4
353.10431	2.0
365.23273	4.5
383.07562	58.7
383.17691	18.3
383.24274	6.4
384.07825	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53591	2.1
53.03939	4.9
55.01873	11.1
55.05510	23.0
56.96555	3.6
57.03434	14.7
57.07071	10.1
59.05009	3.2
61.02924	10.0
65.03928	3.8
67.05506	43.4
68.99810	2.9
69.03427	40.3
69.07064	22.1
71.01366	5.7
71.04998	40.6
71.08730	4.2
73.02920	10.7
79.05495	35.0
81.03422	20.4
81.07054	100.0
83.04987	12.7
83.08617	9.3
85.02903	42.4
85.03397	3.2
85.06541	6.3
87.04478	5.6
88.17503	2.3
91.05481	32.7
93.06533	1.6
93.07043	67.0
95.04971	25.8
95.08610	74.6
97.02881	25.4
97.03373	2.5
97.06531	14.7
97.10187	4.2
99.04459	12.2
99.08101	7.4
101.05994	2.9
103.03946	13.1
103.05437	2.8
105.07030	72.0
105.07711	4.5
107.04956	6.3
107.08591	68.1
109.02899	6.5
109.06506	19.7
109.10154	46.8
109.10870	3.7
111.04448	7.1
111.08089	6.6
113.06033	2.4
115.03929	8.4
115.05476	4.1
117.07014	18.0
119.08583	85.3
121.06493	13.6
121.10143	46.6
123.04422	5.2
123.08056	18.5
123.11707	28.6
125.06020	3.6
125.09611	11.0
127.03925	10.1
127.07561	2.6
127.11181	20.5
128.06213	6.8
129.05516	6.0
129.06976	10.9
130.07773	2.4
131.08575	29.4
133.04990	4.6
133.06483	7.1
133.10127	42.8
135.04422	2.6
135.08069	15.2
135.11681	44.9
137.06017	6.6
137.09619	17.7
137.13268	6.7
139.07556	4.2
139.11142	4.2
141.05447	3.1
141.07001	4.6
141.24548	2.2
142.07794	8.9
143.08527	17.0
144.09341	4.4
145.04994	4.5
145.06482	5.1
145.10129	39.8
147.08064	7.1
147.11673	42.1
149.09645	8.9
149.13249	12.4
151.03874	3.0
151.07535	4.4
151.11191	9.0
152.81906	2.1
153.09081	2.8
153.12694	10.8
154.07745	2.9
155.08557	7.7
156.09412	5.0
157.10150	28.5
159.06516	2.1
159.08066	8.1
159.11691	58.7
161.09633	9.0
161.13257	21.3
163.03896	12.9
163.07541	2.4
163.11214	7.5
163.14828	4.2
165.09158	3.0
165.12769	3.5
167.07152	2.5
167.08585	4.9
168.09312	2.8
169.10167	9.2
171.08089	2.4
171.11714	20.0
173.09642	6.0
173.13252	17.2
175.11200	8.1
175.14832	12.9
177.09105	4.3
177.12798	9.6
177.16443	4.0
179.10544	2.6
181.10124	5.7
183.10329	2.4
183.11700	15.4
185.09740	4.0
185.13248	12.0
187.09666	3.0
187.11224	2.7
187.14864	8.2
189.09184	4.6
189.12698	11.1
189.16339	14.3
191.03418	7.9
192.09404	3.7
193.12283	2.9
193.15981	5.3
195.11754	5.9
197.13242	6.0
199.14854	4.0
201.12711	11.8
201.16447	9.6
203.10771	4.2
203.14297	3.8
203.17964	21.6
205.19603	2.5
207.11815	4.2
209.13292	4.4
211.14857	3.4
213.12831	7.6
213.16415	7.6
215.14394	6.0
215.18027	5.5
217.15921	4.3
219.17516	10.0
221.11655	7.0
221.19038	13.8
225.12772	7.6
225.16557	3.2
227.17929	8.4
229.07506	9.3
229.19508	3.3
231.17474	7.5
233.18977	10.3
239.17938	4.1
241.12224	2.4
241.15852	5.2
243.13899	6.4
243.17363	5.4
245.19023	9.3
247.08531	9.8
257.18924	5.4
259.16904	3.4
261.14951	4.1
261.18643	2.2
263.20212	5.2
267.09134	2.6
269.19125	3.3
275.20218	3.2
279.15839	2.3
281.18573	2.9
287.20090	6.2
293.18893	3.4
297.16776	4.2
299.20181	3.4
305.21112	4.0
311.20032	8.6
329.20972	12.2
347.22104	14.0
365.23242	19.9
383.07431	6.6
383.16397	3.8
383.24435	31.1
396.53137	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.9
55.01857	11.0
55.05511	25.2
57.03431	25.6
57.07074	9.8
61.02927	12.9
62.84695	5.1
67.05224	5.3
67.05512	51.1
69.03430	42.1
69.07077	32.5
71.04996	44.0
71.08905	10.6
73.02916	17.4
78.73079	6.1
79.05501	32.9
81.03413	16.8
81.07059	88.4
83.04974	10.5
83.08639	7.7
85.02897	38.5
87.04488	6.6
89.69980	4.9
91.05477	50.4
93.07042	81.1
95.04969	27.6
95.08014	7.8
95.08607	100.0
97.02885	21.6
97.06513	20.7
97.10165	11.5
98.13175	5.1
99.04478	5.6
103.03943	10.3
105.07030	72.1
107.04967	10.6
107.08608	60.3
109.02869	7.8
109.06529	19.4
109.10160	54.5
111.04445	14.1
111.08104	12.8
115.03941	11.6
117.07030	18.5
119.08588	88.4
121.06490	12.5
121.10140	67.2
123.04443	10.2
123.08064	19.5
123.11708	36.3
125.09625	8.6
125.68291	5.7
127.03938	9.4
127.11194	12.3
129.06987	14.2
131.08606	36.4
133.04933	11.6
133.10155	40.9
135.08038	9.0
135.11703	38.1
137.05983	13.6
137.09645	14.8
141.06979	8.5
142.07794	14.0
143.08566	20.8
145.10149	39.7
147.08072	11.3
147.11687	48.7
149.05962	6.5
149.09668	6.4
149.13275	12.3
151.11142	11.8
153.12791	9.4
155.08517	13.0
156.09377	9.1
157.10158	42.6
159.08047	8.6
159.11699	66.3
161.09616	8.0
161.13287	24.5
163.03931	9.8
163.11212	14.0
165.12827	10.8
169.10158	20.7
171.11681	32.0
173.13304	23.2
175.11211	10.4
175.14854	6.6
177.12801	6.6
178.53967	5.5
181.10143	7.9
183.11720	11.8
184.53728	5.4
185.09631	6.5
185.13280	14.7
187.11223	9.7
187.14877	10.3
189.16371	13.8
191.03339	6.9
193.12175	7.1
195.11671	6.4
197.13226	10.9
199.14882	6.6
201.12794	11.3
201.16487	11.2
203.10605	9.0
203.17967	18.3
207.11661	9.3
213.12852	13.2
215.17967	9.4
219.13956	5.8
219.17455	14.1
221.19040	17.3
225.12898	7.9
233.19070	29.0
243.13770	8.6
245.19026	17.1
257.18866	8.6
261.14874	6.4
261.18423	7.2
269.19061	5.5
275.20026	7.9
299.20093	9.0
311.20163	15.9
329.21234	19.7
347.22128	20.8
353.52066	6.4
365.23337	20.1
383.19977	11.8
383.24753	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.6
55.01860	11.5
55.05515	54.5
57.01850	4.0
57.03430	15.4
57.07067	10.9
57.49697	4.4
59.05001	7.6
59.94313	3.5
61.02930	8.0
65.03947	7.9
67.05510	45.4
68.01395	3.7
69.03435	39.8
69.07064	30.8
70.06596	6.9
71.05002	42.4
71.48904	7.1
71.50931	4.3
73.02921	10.4
79.05488	51.6
81.03423	23.7
81.07057	100.0
81.07774	4.3
82.06603	7.8
83.04984	29.1
83.08622	23.9
84.08160	8.0
85.02910	43.3
85.06548	10.0
85.44405	4.1
86.09671	5.6
87.04458	5.4
90.72285	3.6
91.05482	39.4
93.07049	62.5
95.04982	44.8
95.08009	5.8
95.08605	75.9
97.02883	28.4
97.06538	19.9
97.10152	6.2
99.04443	14.9
99.08068	6.5
100.07615	7.0
100.09436	8.2
100.11253	74.0
103.03943	16.1
103.05452	9.0
105.07033	72.7
107.04962	85.6
107.08592	53.6
109.02876	30.4
109.06519	33.4
109.10159	51.0
111.04448	27.5
111.08080	7.5
111.11698	4.2
115.03926	6.9
115.05481	7.1
117.06992	19.2
119.04953	4.9
119.07732	4.6
119.08586	74.2
120.08109	5.3
121.06522	19.8
121.10125	49.1
123.04433	15.6
123.08073	17.9
123.11708	23.7
125.02357	6.8
125.06051	6.7
125.09632	10.4
127.03907	6.1
127.11202	11.8
128.07109	4.4
129.05511	6.3
129.06966	6.3
131.04913	7.2
131.08572	28.5
133.04980	4.9
133.06532	4.0
133.10147	47.1
135.04437	24.9
135.08040	12.7
135.11717	37.1
137.05972	12.5
137.09612	16.0
137.13281	12.6
139.03894	30.3
139.11208	5.5
141.06978	4.9
142.07692	5.7
143.08546	16.1
145.06429	4.1
145.10120	34.7
147.08090	15.3
147.11703	38.7
149.06010	13.7
149.09615	9.6
149.13245	13.9
151.03931	19.5
151.11176	8.3
153.01875	6.5
153.05522	8.0
153.09138	4.5
153.12743	14.1
154.02139	4.8
155.02324	5.6
155.08560	7.8
156.09424	5.6
157.04987	6.8
157.10112	37.6
159.11696	43.3
161.06023	6.7
161.09663	9.8
161.13268	21.9
163.03955	7.1
163.07626	5.7
163.11200	9.3
163.14789	4.8
165.05493	78.2
165.09058	9.1
167.07047	8.1
168.17484	17.8
169.10120	11.4
171.11670	17.6
173.09511	6.0
173.13274	13.2
175.11200	10.2
175.14856	12.7
177.05476	26.4
177.09116	5.1
177.12706	8.7
177.16374	4.2
182.15460	25.2
183.11618	11.7
185.13307	10.1
185.20103	7.5
187.11115	6.4
187.14795	11.0
189.12717	6.3
189.16408	12.5
191.14342	7.3
193.12173	4.1
193.15909	8.4
195.06552	15.4
195.11784	5.4
197.13264	6.8
199.07503	8.2
199.14880	6.6
201.12799	6.4
201.16397	12.1
202.16997	4.3
203.14320	9.5
203.17999	13.1
209.08134	15.7
209.16626	6.9
210.14888	31.6
213.12708	10.9
213.16449	6.6
215.14375	4.8
219.08055	6.8
219.17326	5.9
221.15346	12.4
221.18781	7.8
225.12988	5.8
227.09151	7.0
227.17860	14.0
229.08603	7.0
231.07974	4.2
233.19069	10.6
243.13850	6.8
245.18883	9.2
247.07590	8.2
248.08339	12.0
261.09128	6.6
261.20773	8.5
262.09793	4.7
263.10706	7.1
277.08679	4.4
287.20203	6.9
289.08591	5.7
290.09399	5.9
291.10080	9.0
293.08194	6.4
294.15143	4.2
295.23965	4.1
305.20996	5.7
307.09567	7.1
308.10443	8.0
310.75946	40.2
311.20047	6.8
311.26315	9.7
319.09650	7.0
319.27182	7.1
321.18982	4.8
329.21097	11.4
347.22183	11.0
351.12021	13.4
352.12888	4.5
353.10138	8.6
365.19153	6.7
365.23172	18.5
368.12503	13.6
374.29077	9.7
374.79337	7.0
383.10962	8.8
383.15021	50.0
383.20541	15.8
383.24438	17.0
383.28986	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.0
55.01857	7.4
55.05281	3.2
55.05506	37.7
55.77994	2.4
56.96544	8.4
57.03435	15.6
57.07066	6.5
58.02963	2.7
58.29279	2.4
59.05002	2.9
61.02914	12.5
65.03928	7.8
67.05502	36.4
69.03427	43.4
69.07066	24.0
69.34703	9.4
69.35128	14.1
69.67307	2.8
70.06593	5.2
71.04674	2.4
71.04993	26.0
72.08133	5.6
73.02905	12.9
79.01808	2.3
79.05491	31.3
81.03405	13.5
81.06602	4.9
81.07049	62.0
83.04569	2.3
83.04983	18.9
83.08610	11.0
84.04466	3.1
85.02905	39.1
85.06523	3.3
86.09705	3.8
87.04445	5.1
91.03927	3.7
91.05473	38.2
93.07037	48.0
94.07391	3.0
95.04970	24.3
95.08598	70.0
97.02890	27.3
97.06529	17.9
97.10189	3.4
98.97579	2.9
99.04433	6.3
99.08078	5.1
100.11242	12.0
103.03941	5.3
103.05440	5.9
105.07027	63.1
107.04921	10.6
107.08579	41.5
109.02869	8.1
109.06507	21.2
109.10151	38.4
110.05975	2.9
111.04412	8.7
111.08051	9.7
111.11686	4.6
113.05962	3.5
114.09116	3.8
115.03929	7.1
115.05506	3.7
117.07001	18.8
119.04902	4.2
119.08585	100.0
120.08086	3.2
121.06489	10.4
121.10128	46.5
123.04436	5.6
123.08061	18.3
123.11690	18.5
125.09643	4.9
127.03885	8.6
127.07520	3.5
127.11172	11.1
128.06195	4.8
129.05447	6.5
129.06995	7.2
131.04935	4.0
131.08539	20.7
133.02901	3.1
133.04976	6.0
133.06485	5.2
133.10124	52.5
135.04393	3.8
135.08020	12.8
135.11674	23.9
136.07582	2.7
137.05949	8.2
137.09610	15.5
137.13261	3.0
139.03876	2.7
139.07556	3.5
142.07745	9.3
143.08566	17.0
145.04988	3.1
145.06415	3.5
145.10126	32.4
147.08041	49.5
147.11676	30.2
149.09656	6.8
149.13242	10.7
151.07503	7.1
151.11168	13.4
155.08539	5.7
156.09323	6.8
157.10114	33.4
158.96011	2.7
159.08032	4.9
159.11688	47.3
161.05954	5.2
161.09602	14.4
161.13258	46.7
163.03853	5.0
163.07574	3.7
163.11200	4.1
163.14734	3.1
165.05536	3.4
165.09053	9.8
165.12801	3.7
167.06976	4.4
167.08488	3.7
169.10091	10.4
170.10927	4.9
171.07968	4.7
171.11679	15.5
173.09549	9.3
173.13274	13.0
174.10475	3.2
175.07610	3.2
175.11226	9.1
175.14810	16.0
175.16147	2.4
177.05469	4.3
177.12691	6.2
179.10658	3.1
181.04787	3.9
181.10071	4.0
182.15396	4.1
183.11687	12.5
185.09576	3.6
185.13187	11.1
187.07492	4.2
187.11157	3.5
187.14771	5.9
189.09131	4.2
189.12675	4.5
189.16357	5.5
191.03419	3.2
191.10712	3.0
191.14270	7.6
193.12140	3.6
193.15776	2.8
195.11719	8.5
195.40898	2.8
197.13202	5.9
199.07448	3.8
199.11188	4.8
199.14775	6.0
201.12729	11.2
201.16403	6.6
203.10620	3.5
203.14302	34.5
203.17915	13.9
204.00787	2.6
207.11697	4.9
209.13190	3.5
210.14978	4.9
213.12608	6.3
213.16444	4.4
215.18031	5.1
219.08096	4.1
219.13782	3.9
219.17484	5.0
221.11761	13.3
221.13731	2.7
221.15350	66.0
221.18991	8.3
223.11136	2.9
225.12874	4.5
227.17860	4.0
231.08163	4.1
231.13649	3.0
231.17291	5.4
233.05508	3.3
233.18994	10.4
237.16386	3.1
241.15788	4.5
243.13913	4.6
245.18997	6.6
247.07625	7.6
248.08365	4.1
249.08997	5.2
261.15042	2.9
261.18295	3.3
262.06235	3.5
262.09732	3.0
263.07062	3.2
263.10538	5.5
263.20007	3.9
264.07883	4.1
269.19247	4.2
275.07007	5.5
276.07486	3.6
277.08621	3.4
287.19937	4.2
289.08575	3.2
291.09970	6.4
293.08066	4.0
293.80707	2.8
299.19714	5.2
307.09521	4.2
311.20190	3.7
321.18896	3.8
323.12750	6.4
329.20996	7.4
337.10654	7.5
347.22037	11.3
348.54333	2.9
351.08594	6.2
351.12344	12.4
352.12830	6.7
353.09958	4.0
365.22974	9.5
368.12561	7.3
383.10901	4.3
383.14966	34.7
383.20294	19.7
383.24478	10.1
384.15384	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01875	2.4
55.05514	17.9
55.39168	1.9
57.03447	2.2
57.07077	11.6
59.04999	6.7
66.46545	2.0
67.05508	50.5
69.03428	15.8
69.07055	9.2
69.96545	8.2
71.04980	7.6
79.05493	31.8
80.43430	1.8
81.03426	2.6
81.07059	39.6
83.04978	8.6
83.08627	5.5
85.06534	8.1
91.05482	44.3
93.07047	100.0
94.07369	2.8
95.04971	28.9
95.08611	44.4
96.21324	1.9
97.06522	13.8
97.47753	2.0
103.05505	3.8
105.04529	2.3
105.07034	84.4
107.05004	3.0
107.08596	47.8
109.06522	24.0
109.10161	31.2
110.99452	2.1
111.08084	10.5
115.05476	4.2
116.06262	3.7
117.07021	12.9
119.04962	3.4
119.08586	59.8
120.09328	3.2
121.06516	13.3
121.10146	46.2
122.07325	1.9
123.08080	32.3
123.11726	3.7
125.05983	1.7
127.08974	2.0
128.06227	7.8
129.06979	12.6
130.07780	5.2
131.08566	30.2
133.06516	6.4
133.10124	35.9
135.08055	22.8
135.11673	7.6
137.05994	6.3
137.09618	12.3
141.06978	4.7
142.07791	20.0
143.08569	24.3
144.09317	4.6
145.06430	2.9
145.10126	37.7
145.11195	3.0
147.08067	23.5
147.11676	20.0
148.08769	2.6
149.09634	23.4
149.13213	2.9
149.92143	1.8
150.10419	2.4
151.07545	42.1
153.09087	3.3
154.07820	2.5
155.08562	7.0
156.09340	10.6
157.10127	47.6
157.11345	2.9
158.10532	3.4
159.08055	10.7
159.11717	13.2
160.08798	4.1
161.09627	24.8
161.13277	8.3
163.11203	9.6
165.07011	2.5
165.09116	42.4
167.08611	2.6
169.10095	4.7
170.10904	5.8
171.11713	9.2
173.09637	10.7
173.11774	7.4
173.13289	8.6
174.10381	3.2
175.11188	24.2
175.14796	10.9
177.09116	9.3
178.09851	2.4
181.10190	2.6
183.11716	7.8
185.09743	3.1
185.13264	20.2
187.11243	5.7
187.14897	2.9
189.12776	14.4
191.14304	4.3
193.10225	3.4
195.11766	5.4
197.13324	6.9
198.10274	2.5
199.11208	4.1
201.12791	8.6
203.10738	1.9
203.14305	32.2
207.11841	3.5
207.13835	11.6
209.13289	6.0
209.15344	6.5
211.11234	3.4
211.14838	4.7
213.12704	3.4
215.14339	7.5
216.15031	4.0
219.13857	4.4
221.13370	4.3
221.15361	78.4
222.15852	3.5
223.14894	2.8
225.12752	5.2
227.14417	2.7
229.12331	3.7
231.13724	2.9
233.15382	7.8
234.16145	8.1
237.14702	3.7
241.15916	3.4
243.13841	2.7
253.15961	2.2
265.15860	2.5
267.17480	2.0
271.16956	3.2
274.19443	2.5
276.53445	2.3
281.19009	3.9
286.19284	8.4
287.20096	11.2
299.20102	6.8
303.19604	8.2
309.18689	4.1
327.19577	2.4
347.24017	2.3
365.24805	11.7
383.25787	86.7
383.30637	4.2
384.26105	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03946	5.2
53.18043	2.8
54.90356	2.6
55.05511	19.5
57.03433	2.8
57.07059	10.2
59.04990	7.1
63.23576	2.5
65.03915	2.9
67.05505	33.1
68.95152	2.5
69.03434	15.6
69.07063	8.8
70.79478	2.8
71.04971	4.8
77.65520	2.4
79.05498	30.6
79.54828	2.5
81.06607	3.5
81.07053	45.9
83.04960	9.8
85.06533	4.8
91.05478	52.1
93.07044	100.0
94.07372	3.9
95.04955	31.6
95.08612	42.0
97.06538	17.7
105.07030	86.6
107.04931	4.5
107.08582	47.7
109.06520	26.6
109.10147	28.9
111.08071	10.7
115.05445	5.4
116.06232	4.6
117.06995	11.4
119.08578	63.7
120.09365	3.9
121.06487	14.6
121.10151	49.9
123.08074	36.5
128.06235	7.2
129.06985	9.8
130.07758	5.3
131.08569	29.4
133.06485	9.6
133.10144	37.3
135.08040	22.9
135.11647	3.2
137.09656	14.1
141.06978	9.3
142.07788	29.4
143.08557	32.3
144.09331	4.4
145.06526	4.2
145.10117	50.9
147.07104	2.7
147.08087	26.3
147.11682	17.8
148.08826	4.6
149.09615	32.2
151.07538	43.2
155.08539	10.0
156.09299	9.7
157.10129	52.7
159.08049	12.4
159.11659	17.0
160.08765	4.7
161.09604	22.9
161.13249	11.0
163.11143	9.7
165.09102	37.4
168.09302	4.2
168.84486	3.1
169.10071	7.7
170.10867	8.4
171.11681	11.3
173.09619	15.5
173.13243	7.7
175.11214	22.0
175.14787	11.1
177.09114	15.1
179.08563	4.4
179.10585	3.1
179.14313	3.5
181.10052	5.3
183.11717	10.6
185.09636	4.5
185.13298	17.5
187.11139	6.8
189.12758	9.9
191.14200	4.3
193.10103	3.4
195.11624	3.8
197.13202	6.9
199.11229	4.8
199.14931	4.3
201.12743	9.2
203.14305	36.4
207.13754	11.0
207.43536	2.9
209.13277	3.3
209.15388	3.5
211.14934	5.1
213.12660	5.2
215.14203	7.2
216.15112	5.5
219.13739	5.1
221.13336	3.5
221.15363	76.2
222.15707	3.1
223.14723	3.8
227.14223	6.0
231.13747	5.4
233.15320	9.3
234.16139	15.4
243.13724	4.5
277.20102	2.6
281.19193	4.2
286.19257	8.3
287.20044	12.1
299.20007	6.6
303.19583	7.7
365.24924	15.0
383.25790	87.4
384.25903	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.06084	2.3
53.03926	6.8
55.01860	3.2
55.05512	20.1
55.71280	2.5
57.03415	4.0
57.07063	11.6
59.04984	5.3
65.03942	3.2
67.05511	33.7
69.03430	15.7
69.07049	11.2
69.20220	29.3
71.04977	9.3
77.02835	2.8
79.05493	35.8
81.07053	37.8
83.04976	7.6
83.08625	7.4
85.06528	5.6
91.05483	49.5
93.07046	100.0
95.04977	30.3
95.08604	47.1
97.06516	14.3
103.05479	3.4
105.07040	92.4
107.04966	4.6
107.08604	50.1
109.06525	35.3
109.10156	20.3
111.08058	9.2
115.05473	4.6
117.07033	12.8
119.08585	65.8
120.09363	5.9
121.06506	15.2
121.09358	3.7
121.10144	43.3
123.08072	35.7
128.06181	10.4
129.07062	12.2
130.07791	6.8
131.08565	32.3
133.06461	8.9
133.10144	32.0
135.08058	24.4
135.11652	8.9
137.09595	16.5
141.07018	3.4
142.07779	24.7
143.08566	28.9
144.09384	4.8
145.06445	5.8
145.10132	43.2
146.07245	4.1
147.08032	23.9
147.11705	16.6
148.08745	4.2
149.09625	26.3
151.07553	51.4
153.09204	3.6
154.07765	2.9
155.08562	9.2
156.09322	10.1
157.10136	45.2
159.08072	11.4
159.11665	17.2
160.08821	3.5
161.09631	27.0
161.13248	9.0
163.11156	10.0
163.12387	2.9
165.07040	3.1
165.09126	43.6
167.08623	5.5
169.10104	13.9
170.10886	7.6
171.03215	3.4
171.11623	9.4
173.09607	12.0
173.13243	8.5
175.11230	27.7
175.14792	11.7
177.09100	9.7
178.09885	4.7
179.08490	4.0
183.11618	5.9
185.09628	5.0
185.13226	19.8
187.11203	5.7
187.14912	3.7
189.12743	9.7
191.14255	3.0
195.11565	3.1
197.09679	12.5
197.13287	7.0
199.11259	4.1
199.14684	3.8
201.12759	8.7
203.14310	33.9
207.13835	18.1
209.13271	7.6
209.15366	6.5
211.11206	4.1
211.14818	3.7
213.12639	2.8
215.14339	8.4
217.12006	3.4
219.13852	6.1
221.15370	78.9
225.12787	5.2
227.14313	8.0
231.13814	5.3
233.15376	6.0
234.16075	14.9
237.14815	3.9
243.13847	3.6
271.17035	3.6
286.19150	5.0
287.20041	13.8
299.20142	8.4
303.19583	7.7
309.18488	3.0
347.23550	3.0
365.24780	16.3
383.25763	91.4
384.14575	8.0
384.26251	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	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03945	5.5
55.01863	3.2
55.05511	17.1
56.57351	2.4
57.07081	12.7
59.04990	7.0
67.05505	33.6
69.03417	9.9
69.07051	9.5
69.87202	12.6
71.05006	5.2
71.64267	2.2
74.50779	2.4
79.05490	29.1
81.03419	2.5
81.07056	36.0
83.04970	6.5
83.08606	6.7
85.06528	7.6
91.05482	40.4
93.07043	100.0
95.04954	27.8
95.08606	41.3
96.08961	2.9
97.06525	13.5
103.05462	2.6
105.07030	78.7
107.04927	2.7
107.08583	40.4
109.06528	25.5
109.10142	21.6
111.08085	7.2
115.05465	5.8
117.07012	10.4
119.08582	54.1
120.09375	5.1
121.06516	14.7
121.10149	45.1
122.07314	2.6
123.08061	27.4
128.06216	9.0
129.07001	12.9
130.07788	4.3
131.08566	24.0
133.06477	7.6
133.10138	31.2
135.08061	22.9
135.11691	3.9
137.09604	13.7
141.06969	5.6
142.07776	18.0
143.08566	26.3
144.09389	2.7
145.06393	3.3
145.10138	35.6
147.08041	22.0
147.11690	9.8
148.08827	3.2
149.09601	19.8
149.13181	3.3
151.07549	32.8
153.06982	3.1
155.08514	5.9
156.09309	10.1
157.10124	33.3
159.08009	7.6
159.11705	15.8
160.08801	3.3
161.09615	20.5
161.13240	9.3
163.11130	8.1
165.09116	43.0
167.08569	3.9
169.10097	6.9
170.10925	6.8
171.11702	7.1
173.09641	9.0
173.13281	8.1
174.10428	2.7
174.84358	2.5
175.11195	21.0
175.14786	7.0
177.09113	9.6
183.11668	7.5
185.13271	14.0
187.11150	3.8
187.14833	3.9
189.12762	12.6
195.11739	4.2
197.13420	3.4
199.11150	4.0
201.09213	2.5
201.12749	7.0
203.14337	26.2
207.11957	3.0
207.13690	11.6
209.13228	6.9
209.15370	5.2
213.12721	3.1
215.14275	9.7
219.13754	3.9
221.15369	81.9
222.15771	3.6
223.14816	3.3
225.16252	3.0
227.14294	3.2
233.15320	5.1
234.16121	6.5
235.63448	3.0
286.19144	4.1
287.20074	5.1
299.20120	5.8
303.19507	9.4
365.24704	12.4
383.20349	55.3
383.25702	62.2
383.32880	7.9
384.20920	4.1
384.25854	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16281	1.5
53.03930	6.5
55.01875	3.9
55.05515	18.4
56.84760	2.0
57.03426	2.1
57.07071	11.4
59.04998	7.2
65.03918	4.2
67.05147	2.1
67.05507	42.3
68.72772	1.7
69.03436	16.8
69.07069	11.8
71.04997	6.1
78.04774	1.7
79.05489	28.3
81.03440	4.1
81.07060	37.3
81.33318	1.7
82.65394	1.7
83.04970	8.9
83.08611	4.8
85.06542	7.5
85.11048	1.8
87.02612	1.7
88.47025	2.0
91.05482	55.4
93.07047	100.0
94.07380	2.4
95.04974	32.8
95.08607	49.6
97.06535	11.0
98.20650	3.2
102.01115	1.9
103.05470	5.4
105.07036	80.0
107.04965	3.1
107.08597	46.7
108.05715	1.8
109.06518	28.4
109.10156	25.4
111.08102	10.0
111.79993	1.6
115.05500	3.8
117.07031	11.9
119.06003	2.2
119.08583	60.0
121.06519	14.9
121.10143	48.7
123.08073	25.6
123.11764	2.6
128.06216	7.4
129.07025	13.7
130.07820	5.1
131.08568	31.6
133.06543	10.8
133.10123	29.9
135.08060	22.8
135.11696	6.0
137.09647	16.1
141.06982	6.0
142.07791	21.9
143.08563	28.1
144.09329	5.6
145.09074	3.5
145.10124	41.7
147.08054	25.8
147.11694	17.5
148.08932	2.6
149.00345	1.9
149.09630	29.5
149.13324	2.7
151.07552	38.3
153.09079	3.3
155.08549	8.9
156.09393	10.8
157.10127	38.8
158.07320	2.1
158.10777	2.0
159.08049	7.7
159.11697	20.2
161.09641	19.2
161.13290	9.3
163.11182	9.9
163.14818	2.9
165.09116	42.3
167.07120	2.3
167.10616	2.0
169.10133	8.3
170.10916	5.5
171.11694	6.5
173.09630	12.2
173.11823	2.5
173.13249	6.6
175.11197	19.2
175.14742	8.5
177.09091	14.7
178.09911	3.2
179.08626	2.8
181.10144	3.9
183.11705	6.9
185.09627	3.7
185.13274	16.6
187.11189	5.2
187.14806	2.3
189.12715	11.5
191.10757	2.2
191.14302	4.1
195.11766	3.3
197.09596	2.2
197.13255	7.5
199.11191	3.6
199.14859	3.5
201.12743	9.8
203.14311	30.0
207.11752	4.9
207.13829	15.2
209.13391	3.2
209.15411	5.1
210.13980	1.9
211.11220	2.3
211.14752	3.5
213.12775	5.6
213.16385	2.6
215.10699	2.2
215.14323	7.6
216.15057	2.5
219.13826	6.5
221.13493	2.9
221.15373	78.5
222.15819	3.5
223.14749	2.5
225.12627	3.0
225.16612	2.9
227.14177	2.6
227.17966	2.5
229.12277	3.4
231.13788	3.7
233.15466	5.4
234.16124	15.1
243.13812	3.8
267.17386	2.1
271.16907	2.5
274.19131	2.5
281.18924	3.9
286.19238	5.1
287.20108	7.3
299.20126	5.5
300.21063	2.2
303.19470	9.3
328.94202	2.0
347.23761	3.9
365.24722	11.0
383.25763	63.6
384.26202	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	383.3309
Annotation	17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peak:m/z	Relative Intensity
55.05500	14.1
57.07085	10.7
60.01487	3.8
67.05498	42.6
69.07060	18.6
70.56464	14.9
71.08631	5.7
79.05489	17.8
81.03418	4.6
81.07063	62.9
83.04976	5.5
83.08612	13.5
85.06553	39.7
91.05470	15.5
93.07040	41.9
95.08608	100.0
97.02882	5.1
97.10159	4.6
105.07042	32.6
107.08593	46.4
109.10141	50.9
113.26143	3.7
117.07018	9.5
119.08587	48.2
121.10162	38.3
123.11669	28.9
131.08559	18.8
133.10153	28.8
135.11665	25.3
137.13231	31.1
143.08498	4.4
144.14908	4.2
145.10144	25.4
145.43463	4.4
147.11674	29.7
149.13237	28.2
157.10062	7.7
159.11722	27.4
161.13249	30.2
163.14798	12.6
163.66043	4.0
165.12666	4.8
171.11708	13.8
173.13252	17.6
175.14912	8.1
177.12741	7.0
177.16399	5.7
179.14284	5.0
185.13239	8.6
187.14796	12.7
189.16423	9.3
191.17935	15.9
199.14793	5.7
201.16394	15.7
203.17882	19.8
205.19518	10.1
213.16473	6.5
215.17992	11.3
219.17444	5.6
227.17955	11.4
229.19540	8.3
231.17381	6.8
241.19496	8.3
245.19058	9.7
283.23996	5.0
365.31998	26.1
383.33093	87.3
384.33273	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	384.115
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
53.01067	0.4
55.01876	0.9
55.75368	0.5
57.03436	2.5
59.50758	0.4
61.02927	0.7
68.14268	0.4
69.03435	1.9
69.07107	0.4
69.54446	0.5
69.97317	2.3
70.03018	0.4
70.06592	0.5
71.01362	0.7
73.02940	1.4
83.06140	0.5
84.08157	0.6
85.02898	4.6
94.04082	0.5
97.02933	1.4
110.07150	0.5
115.03959	0.8
119.03524	0.7
120.08115	0.6
121.05132	1.2
129.95969	0.5
133.04938	0.6
135.06653	1.2
136.06180	16.6
137.04639	0.7
148.06190	6.1
155.05630	0.8
160.06215	1.0
161.88881	0.5
162.07748	34.8
188.05663	13.0
192.05162	17.6
192.06906	0.9
194.08185	0.5
206.06718	6.1
216.05188	0.7
222.07593	1.3
234.06223	12.3
237.02841	0.6
247.38031	0.5
252.07269	100.0
274.86490	0.5
294.89291	0.5
324.10400	0.6
384.11475	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	385.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.0
56.96557	4.5
57.03415	3.0
58.23339	1.8
58.99570	2.0
61.02919	2.0
65.03924	2.3
69.03412	5.5
70.06578	10.8
71.49206	3.4
72.08160	2.6
73.02915	2.8
77.46006	2.0
79.05491	3.0
81.07066	3.2
84.08154	2.6
85.02898	15.1
85.88715	2.0
88.74627	2.3
91.05470	5.9
95.04958	3.9
97.02876	5.8
98.97556	3.0
103.05468	8.4
105.07028	49.3
107.04967	2.3
109.02866	3.8
115.03946	2.1
115.05463	11.9
116.98609	2.4
117.07015	3.1
118.04111	2.6
123.04425	4.5
127.03888	2.4
129.06992	2.5
131.04936	4.5
133.06479	51.6
134.99609	2.3
136.06184	3.6
140.04707	1.9
143.06082	2.1
145.06511	5.3
147.04434	3.5
151.03909	4.7
155.07083	3.1
156.05464	1.9
160.05272	2.1
161.01212	2.4
161.05971	100.0
162.07765	7.7
163.03943	2.3
163.08022	5.9
166.08636	2.7
167.07054	25.4
175.03935	3.5
175.06007	2.0
175.07396	2.6
177.05487	3.6
183.06551	3.7
189.05804	4.0
192.05098	3.9
193.05580	4.8
193.08594	55.2
204.07751	2.2
205.08609	5.8
207.06598	8.1
213.05594	2.3
219.06522	3.8
220.07388	2.7
221.08125	2.4
223.06114	2.2
223.08110	4.7
229.04991	3.4
231.06540	5.1
233.04498	5.2
233.08119	3.4
234.06293	3.1
235.06372	4.9
237.02765	3.0
242.03467	2.7
245.08371	2.1
251.09151	19.2
252.07236	18.7
253.07593	28.5
260.04410	12.6
261.07651	13.3
289.06821	2.9
307.08038	3.3
368.19748	3.5
385.10379	3.2
385.15137	46.9
385.25452	4.4
386.07590	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	385.1468
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
50.30304	0.2
56.96545	0.3
69.03437	0.4
70.01311	1.2
70.06554	0.3
81.07053	0.3
85.02890	0.4
97.02885	0.4
98.97559	0.3
104.54494	0.3
116.98589	0.4
127.03947	0.3
141.47585	0.2
160.11200	0.8
163.20538	0.2
166.08701	0.3
172.52036	0.2
178.12311	0.6
223.09486	1.0
224.12830	1.4
385.14682	100.0
386.11606	0.2
386.15137	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	385.1471
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
55.05502	0.5
56.96559	0.6
57.03416	0.4
59.75974	0.3
67.05499	0.4
69.03410	0.7
70.06591	2.4
70.68333	0.5
70.68669	0.4
72.08153	2.1
73.79617	0.3
78.99319	0.3
79.05487	0.4
81.03416	0.3
83.05003	0.3
84.08138	1.0
85.02907	1.4
91.05490	0.3
93.07061	0.4
95.05000	0.3
95.08603	0.3
97.02895	0.5
98.97560	0.6
100.07657	0.4
107.08591	0.4
108.04490	0.6
116.98622	0.4
117.83225	0.3
120.08084	0.4
128.98573	0.5
129.10210	0.6
138.09163	0.4
147.08006	0.3
149.05933	0.4
158.99651	0.3
166.08661	1.7
168.06613	0.5
169.13359	0.5
182.08307	0.3
197.12828	0.8
205.08038	0.6
210.07674	0.6
223.09448	0.7
273.06329	0.3
283.09912	0.4
313.08957	0.6
355.13626	0.8
385.14682	100.0
386.15082	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	385.1469
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
50.18433	0.3
55.01879	0.4
55.05503	0.3
56.96558	0.6
58.15386	0.2
61.02922	0.3
69.03402	0.6
70.06593	1.4
70.48160	0.3
70.93109	0.8
72.08155	0.5
79.05479	0.3
81.03404	0.6
81.07063	0.4
84.08134	0.7
85.02886	2.4
86.09699	1.1
87.04448	0.4
91.05479	0.3
95.01155	0.3
95.04945	0.5
95.06042	0.4
97.02884	0.9
98.97562	0.6
99.04452	0.3
110.07174	1.3
117.07024	0.3
119.04911	0.3
127.03887	0.4
129.10237	0.3
133.06506	0.3
135.04445	0.7
136.07639	0.3
137.05952	0.3
147.04384	0.4
151.03906	0.5
153.50572	0.3
163.04015	0.3
166.08636	2.3
167.07057	1.0
193.04904	0.5
201.05486	1.1
209.04454	2.0
210.07570	0.5
215.13852	0.4
219.01785	0.5
219.14954	0.6
223.09416	1.3
223.11458	0.5
233.05853	0.3
237.02779	0.8
239.02126	0.4
250.01715	0.3
257.03326	0.6
339.20950	0.8
383.06644	0.4
385.14682	100.0
386.15018	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	385.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26818	0.6
53.03947	0.8
55.05500	1.4
55.11679	0.6
56.96575	0.7
57.03423	0.9
57.88994	0.6
59.26776	0.7
66.16707	0.7
67.05500	1.2
69.03422	1.9
69.07051	1.0
69.85101	2.1
69.85513	1.1
70.06580	0.8
70.85432	0.7
79.05500	1.1
79.50637	0.7
81.03429	1.2
81.07056	1.3
83.04991	1.3
83.08579	0.8
85.02891	4.9
86.09702	1.0
86.36242	0.7
91.05486	1.4
93.07054	1.0
95.01937	0.9
95.04955	1.2
95.08597	1.2
97.02879	1.6
97.06561	1.6
101.00898	1.5
103.05457	0.9
105.07030	1.7
107.08612	0.9
109.06544	0.8
109.10159	1.2
119.01915	7.3
119.08571	1.1
121.06509	3.8
121.10149	1.2
123.08083	4.0
131.04871	0.8
133.10153	1.4
135.08105	1.1
137.02991	1.0
137.09584	1.5
139.07539	1.2
145.06468	1.4
145.10146	0.8
149.06030	0.9
149.09637	2.4
158.03654	1.1
161.05963	1.2
163.11172	1.0
165.09119	1.1
167.07063	3.2
173.06027	1.4
177.12794	1.5
179.10777	0.8
185.04219	0.8
186.03137	1.0
191.19975	0.6
201.05466	14.4
202.05858	0.9
205.12244	4.8
223.13371	3.8
231.06401	0.8
239.09407	0.9
241.12817	4.1
243.08145	0.8
257.10565	1.0
259.13989	2.6
265.12964	0.9
269.12375	1.6
283.13907	4.5
301.31641	0.7
303.06567	0.7
325.14786	1.7
341.19299	13.9
385.18311	100.0
386.18671	3.7
394.05466	0.7
401.15128	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	385.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41430	3.9
55.05503	15.3
57.03425	5.5
57.07071	6.1
59.05008	5.3
64.19395	3.0
64.19738	3.2
64.20071	3.2
67.05504	20.2
69.03410	9.1
69.07061	8.2
69.19576	35.1
71.04980	5.7
79.05489	12.6
81.02025	3.0
81.03398	3.2
81.07037	22.6
83.04980	5.3
83.08591	9.0
85.06558	7.3
90.05396	3.2
91.05474	24.7
93.07047	25.9
95.04958	12.2
95.08596	26.5
97.06526	10.7
103.53988	3.1
105.07041	36.2
107.08593	40.0
108.05702	4.4
109.06477	16.5
109.10141	9.0
111.04423	6.3
111.08070	13.8
113.09590	4.1
115.05515	4.0
117.07011	11.4
119.08585	35.7
121.06505	9.4
121.10136	16.8
123.08060	28.1
123.11681	4.2
125.09624	7.9
129.06982	8.3
130.07759	6.6
131.08557	36.9
133.06471	6.8
133.10114	19.7
135.08034	15.5
135.11668	32.9
137.05969	24.0
137.09570	5.4
142.07790	6.4
143.08571	10.7
144.09337	8.6
145.10124	46.8
147.08061	13.2
147.11676	8.1
147.79800	3.4
149.02310	6.7
149.09589	14.4
151.07541	79.5
153.09065	6.4
155.08531	4.3
155.10617	7.4
157.10092	11.9
159.08040	15.2
159.11691	43.6
161.09633	11.2
161.13306	6.1
163.11143	22.5
165.09129	11.7
169.10132	6.1
171.11705	8.0
172.08815	6.2
173.09622	5.9
173.13170	5.9
175.11188	5.8
177.09108	18.7
177.12810	27.1
183.11674	5.2
185.09665	6.4
185.13358	4.8
187.11185	25.3
189.12764	18.6
191.14297	5.7
193.04973	5.9
197.13266	8.6
199.11237	8.2
205.12215	51.5
207.13815	13.1
209.15324	7.8
211.11195	7.8
215.14221	4.4
217.04927	4.9
217.12291	7.8
221.15425	10.6
229.12166	4.3
233.15402	4.5
243.13559	4.1
247.17052	6.0
251.98962	3.8
279.21399	4.2
286.19269	11.3
298.55496	3.7
367.22580	16.1
385.09079	6.0
385.16290	5.3
385.23621	100.0
386.23950	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2371
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
55.01873	7.3
55.05503	14.2
57.03428	5.0
57.07072	9.9
59.04999	7.3
67.05498	12.3
69.07069	5.9
70.21958	9.1
70.22359	8.8
71.04987	7.9
79.05495	12.3
81.07054	18.6
83.05003	4.9
83.08622	7.9
84.08152	8.4
85.06544	6.2
91.05470	27.8
93.07040	27.5
95.04963	14.1
95.08619	18.7
97.06519	18.7
105.07043	31.8
107.08582	38.6
109.06516	14.5
109.10163	10.8
111.04440	6.2
111.08060	18.9
117.07021	11.3
119.08601	38.4
121.06519	7.3
121.10141	13.2
122.37563	4.7
123.08074	31.3
125.06033	5.4
125.09668	5.0
129.07008	7.7
130.07762	8.6
131.08540	26.4
133.06418	5.9
133.10120	17.7
135.08040	13.9
135.11684	26.2
137.05981	22.2
139.07487	5.2
143.08571	7.3
144.09348	9.1
145.10107	27.0
147.08060	14.0
147.11726	9.0
149.02333	4.8
149.09639	12.8
151.07533	72.7
153.09106	5.7
155.08560	6.4
157.10130	12.7
159.08052	19.1
159.11702	39.0
161.09624	6.9
161.13226	5.9
162.10432	4.9
163.11174	18.8
165.09056	8.4
171.11684	14.4
173.13312	6.6
175.11197	8.6
177.09157	17.3
177.12714	21.0
179.14265	5.9
187.11172	22.2
189.12762	19.8
197.13171	5.9
199.11212	9.1
205.12263	37.2
207.13770	7.7
211.14827	4.5
215.14442	7.3
217.05011	6.2
221.15388	12.0
233.15245	5.1
247.16953	5.9
273.97824	4.8
286.19299	14.5
367.22574	11.8
368.60928	5.5
385.16501	7.4
385.18454	6.9
385.23587	100.0
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	5-beta-14-Dihydroxy-bufa-3,20,22-trienolide
Peak:m/z	Relative Intensity
53.03944	1.7
55.01863	2.5
55.05278	1.1
55.05511	12.8
56.96568	1.3
57.03408	1.0
65.84711	1.0
67.05509	14.6
68.07292	1.0
69.03421	3.6
69.06740	1.0
69.07067	6.4
69.85833	4.9
70.06596	0.9
71.04981	2.0
78.68948	0.9
79.05092	1.4
79.05495	17.6
81.03399	3.0
81.07050	17.9
82.05006	1.0
83.04971	3.2
83.08597	3.9
84.08150	1.0
85.02870	2.8
85.06551	1.5
91.05479	10.6
93.07054	12.2
95.04980	5.9
95.08615	10.6
97.06516	7.8
97.10172	5.0
99.08089	1.2
101.33183	1.1
103.05482	1.4
105.07021	8.8
107.04961	5.8
107.08595	8.5
109.06528	2.5
109.10177	6.0
111.08044	1.5
114.09201	1.1
115.05458	2.2
117.07026	6.3
119.04939	1.2
119.08582	5.2
121.06494	8.1
121.10132	3.4
123.04427	2.9
123.08054	1.7
125.09624	3.9
128.06198	1.8
129.07011	12.6
131.04930	5.3
131.08562	8.2
133.06473	4.6
133.10149	3.0
135.04422	1.1
135.08044	2.7
137.05997	1.7
137.09592	1.9
141.07004	4.9
143.08580	8.7
144.05688	3.6
145.06485	31.8
145.10107	3.1
147.04352	1.3
147.08023	5.1
147.11684	3.6
149.09615	2.3
153.01848	6.0
153.07057	1.8
153.09048	1.8
154.07762	1.2
155.04852	2.2
155.08539	3.6
157.06497	9.2
157.10149	3.9
159.08046	11.0
159.11716	1.9
161.05954	3.1
161.09552	2.0
163.03906	1.4
163.07520	1.1
165.05504	1.2
165.07079	2.1
167.07028	6.0
167.08569	4.3
169.06474	4.9
169.10139	3.9
170.07333	1.2
171.02864	3.8
171.04216	1.2
171.08052	11.3
173.05988	3.9
173.09581	1.1
175.03992	1.1
175.11243	2.2
179.03455	1.2
179.08566	2.5
181.04985	1.1
181.06535	2.3
181.08533	1.0
181.10091	3.7
183.08035	4.9
183.11662	2.7
185.09628	6.9
185.13235	1.2
187.11215	1.1
187.14789	1.3
188.36395	1.1
189.09236	1.3
189.11157	1.6
193.10463	1.1
193.12260	3.0
194.07278	1.3
195.08035	4.9
195.11720	4.9
197.09634	4.6
197.13295	2.7
199.07497	1.3
199.11214	3.1
201.05428	1.8
205.10173	1.2
207.07968	1.1
209.09712	2.4
209.13272	1.2
211.11310	6.0
211.13008	1.4
213.12775	2.6
215.07063	1.7
215.14235	1.3
219.07938	1.4
221.05971	1.5
221.09537	1.4
223.11296	5.1
224.11842	1.4
225.12694	5.4
227.14261	10.7
235.11121	1.8
237.12721	8.1
239.14255	1.9
243.13792	2.3
249.12692	1.6
255.13828	24.9
259.09622	1.3
267.09103	2.0
269.15408	1.1
273.14841	18.3
281.15311	4.2
282.08774	1.9
283.16833	2.1
285.10187	1.9
287.16550	3.4
299.16196	2.4
311.09039	1.1
311.16321	1.1
321.22171	2.3
325.18127	1.4
331.20645	3.9
339.23157	6.8
341.14063	1.1
343.07474	1.2
343.11789	2.7
349.21594	31.9
350.22034	1.4
353.13763	1.9
357.13251	1.1
367.22687	100.0
368.23175	2.0
385.12732	3.1
385.16232	4.0
385.23724	64.1
386.24051	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	385.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01871	14.1
55.05244	2.8
55.05510	53.9
56.96571	3.0
57.03428	18.1
57.07069	4.0
57.66456	1.4
59.04993	3.1
63.36290	1.7
67.01861	3.1
67.05502	60.7
68.99776	1.6
69.03416	10.4
69.07063	21.9
71.05022	5.9
71.08629	40.4
79.05490	38.3
81.03413	19.7
81.07056	50.3
83.04978	27.2
83.08619	31.8
85.02899	6.1
85.06554	3.0
86.13976	1.7
86.93417	1.8
91.05478	26.0
93.07043	38.5
95.04386	3.4
95.04964	44.2
95.08605	36.2
96.56181	1.7
97.02887	2.6
97.06531	23.0
97.10165	31.4
97.84169	1.8
99.04459	3.5
99.08099	33.6
105.07030	20.0
107.04962	10.9
107.08588	33.9
109.06506	7.2
109.09417	2.1
109.10145	30.6
111.04436	18.5
111.08091	11.3
113.05990	2.0
117.07027	11.3
118.98084	1.9
119.08569	17.4
120.08082	2.0
121.06511	9.2
121.10128	18.2
123.04393	2.0
123.08083	6.2
123.11696	4.8
125.06020	1.9
125.09622	32.9
127.03905	2.5
129.07002	5.4
130.44424	2.0
131.08582	11.8
133.10146	9.8
135.04405	2.5
135.08067	8.3
135.11682	10.8
137.06009	2.3
137.09595	8.4
139.11160	6.4
143.08566	4.3
145.06512	2.5
145.10114	12.4
147.08066	5.3
147.11687	7.2
149.09631	15.0
149.13228	5.3
151.07628	1.9
151.11172	8.6
153.01823	31.0
153.09094	7.7
153.12778	5.8
155.08566	2.1
155.10666	7.4
157.10120	5.2
159.08031	2.6
159.11682	9.4
161.09602	3.7
161.13202	3.0
163.03896	10.4
163.11171	30.7
165.12735	5.3
167.10680	4.4
169.10083	2.2
171.02901	18.2
171.10173	4.2
173.05978	4.2
173.09538	2.0
173.11748	6.1
173.13184	3.1
175.11113	2.6
177.12730	10.3
179.03247	3.7
179.10748	3.1
181.12244	5.9
187.07343	1.7
187.11185	3.3
189.11217	35.0
189.12738	1.9
191.10686	6.1
193.05045	2.2
193.12242	6.1
195.13799	15.0
197.63313	1.8
211.13190	2.1
213.05554	1.7
215.10759	2.7
215.18002	1.9
217.04988	2.5
223.13306	12.1
227.12694	9.4
229.19464	3.7
235.18904	1.9
239.17812	1.7
241.08653	2.8
247.20502	5.9
257.19031	5.7
265.21622	2.9
275.20068	33.9
283.15268	2.4
293.21091	100.0
294.21545	3.5
311.22165	5.0
349.19775	5.1
349.23828	5.0
367.11780	15.5
367.24927	23.8
385.12640	10.5
385.17020	4.1
385.26199	27.7
386.12939	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	385.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.3
53.03923	8.0
55.01871	22.9
55.05512	84.3
56.96550	7.2
57.03437	26.3
57.07061	5.0
59.04983	4.4
65.03921	4.0
67.01844	8.1
67.05500	76.2
68.99785	6.7
69.03419	8.7
69.07072	32.5
71.04972	7.1
71.08632	25.0
71.49876	3.9
71.50252	2.6
79.05489	59.4
81.03420	20.5
81.07051	75.2
83.04981	25.2
83.08620	46.3
84.08072	3.1
85.02905	3.9
85.06536	3.0
91.05476	36.5
93.07041	44.3
95.04967	37.2
95.08604	41.4
97.02905	4.2
97.06529	42.7
97.07129	2.2
97.09570	3.7
97.10168	54.7
98.97581	14.4
99.04443	7.8
99.08085	20.9
105.07027	30.7
107.04955	18.0
107.08591	52.9
109.06490	10.0
109.10161	28.5
111.04425	19.0
111.08069	12.9
115.05416	3.7
116.98609	11.2
117.07029	16.8
118.88591	2.9
119.04990	2.7
119.08563	22.9
120.08093	2.7
121.06508	11.3
121.10140	24.7
123.04417	5.2
123.08041	8.1
123.11695	5.9
125.09626	54.3
127.03905	3.0
129.06981	5.7
131.08551	19.2
133.10109	10.4
134.99646	8.0
135.04439	3.2
135.08038	9.7
135.11699	17.7
137.05994	3.6
137.09601	6.5
139.11169	4.2
143.08536	3.6
145.06461	5.2
145.10133	17.9
147.04402	2.7
147.08008	5.2
147.11676	10.2
149.02328	6.6
149.09613	19.5
149.13231	8.3
151.11156	11.8
153.01822	100.0
153.09097	11.4
153.12712	7.6
154.02135	3.3
155.08557	5.9
155.10667	3.1
157.10114	5.0
158.99625	7.1
159.08054	3.3
159.11618	11.7
161.09601	6.6
161.13260	3.2
163.03908	8.2
163.11195	39.9
165.12735	7.6
167.07083	3.8
167.10724	7.4
169.08487	3.2
171.02875	58.9
171.10255	4.4
171.11697	3.4
173.05984	2.7
173.09573	4.1
173.11789	3.1
173.13226	4.9
175.11217	4.3
177.00655	11.8
177.12740	10.4
179.03433	13.0
181.12149	7.3
183.08049	2.7
185.11774	3.2
185.13281	2.5
187.11096	4.2
187.14885	3.4
189.00729	2.7
189.09384	4.4
189.11198	62.7
189.12677	3.1
191.03752	3.2
191.10652	5.5
193.04916	4.3
193.12215	11.7
195.13795	6.8
199.14880	3.5
200.04420	5.2
201.89748	2.9
205.12244	5.7
211.13237	4.8
215.07172	6.3
219.01691	3.7
223.13232	11.1
227.12775	17.4
233.11952	2.7
247.20456	5.1
257.18884	4.2
259.09607	7.5
269.10544	3.7
275.08005	3.1
275.20078	31.9
279.03781	3.3
293.21088	78.7
299.05478	2.9
337.42365	2.6
341.10291	3.2
349.19836	10.7
367.24719	11.3
385.08667	3.2
385.12723	17.8
385.17270	23.3
385.25595	19.0
402.37704	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	385.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.05514	56.6
57.03438	24.7
57.07073	46.5
67.05502	26.0
69.07069	73.6
69.61529	17.1
71.04997	2.9
71.08633	34.8
79.05495	11.2
79.34465	3.2
81.07047	31.0
83.08620	51.9
85.06538	2.6
85.10174	20.6
90.18273	2.6
90.44494	2.8
92.92786	2.6
93.07037	19.5
95.08614	40.7
97.06550	9.7
97.10165	29.5
105.07079	4.0
107.08614	16.0
109.10154	17.2
111.08083	10.2
111.11741	8.5
115.07577	3.2
119.08623	3.8
121.10150	16.4
123.11733	9.3
125.09655	10.9
125.13229	3.9
127.75101	2.6
135.11682	21.7
139.11198	10.2
149.13295	8.8
153.12782	6.5
157.12105	3.0
159.11772	2.8
163.14839	6.6
167.14362	5.2
173.13211	2.9
177.16309	5.0
181.15897	5.3
191.18008	4.7
209.19081	3.2
211.28606	2.8
233.22736	2.6
275.27383	6.2
293.28375	18.7
294.88992	2.8
339.63391	2.7
367.32324	15.3
385.33267	100.0
386.33710	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	385.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01852	2.8
55.05513	17.5
57.07072	9.2
67.05503	30.2
69.07069	33.9
69.68328	5.2
69.68748	10.7
71.04987	11.0
79.05491	17.9
81.03442	2.4
81.07065	56.6
83.04967	2.8
83.08617	11.5
85.06548	86.0
91.05489	17.1
93.06503	3.2
93.07049	41.1
95.04986	4.4
95.08611	100.0
97.06544	9.0
97.10171	6.8
105.07034	27.0
107.08598	54.3
109.06532	4.0
109.10168	48.0
109.10871	4.2
111.08125	2.2
117.07014	3.9
119.08587	29.5
121.10146	52.8
123.08131	4.5
123.11704	15.8
125.09592	4.2
131.08568	6.2
133.10136	19.1
135.11685	29.9
137.13289	8.7
140.68678	2.4
143.08548	3.5
145.10132	6.1
147.11693	17.4
149.02304	4.5
149.13269	23.3
151.14854	4.9
157.10176	2.9
159.11671	10.7
161.13272	19.8
163.14850	18.9
165.09077	2.9
173.13303	6.0
175.11125	3.0
175.14856	11.5
177.16408	9.0
181.15865	3.4
189.16380	10.4
191.17963	60.2
193.05038	4.0
193.15881	8.4
195.17482	4.9
201.16431	5.5
203.17961	11.7
205.19524	5.5
215.17958	4.8
217.19496	19.8
231.21213	3.2
243.21156	3.9
255.10115	2.4
257.22629	6.3
293.21317	2.9
363.14673	2.5
385.09119	5.9
385.23599	5.9
385.34692	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	385.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.9
55.05511	15.1
57.07077	7.2
67.05508	24.5
68.11172	1.2
69.07066	31.7
69.30756	3.2
69.31163	9.5
71.04989	13.1
71.08639	1.7
79.05498	15.6
79.76071	1.3
81.07057	59.8
82.07444	1.6
83.05016	1.5
83.08617	12.4
85.06545	99.0
91.05479	10.9
93.07042	39.5
95.05011	2.0
95.08608	100.0
96.08972	2.2
97.06541	5.4
97.10188	7.0
99.08074	1.4
105.07030	25.1
107.08596	59.5
107.09327	3.1
109.06490	1.8
109.10159	45.9
110.30743	1.3
111.08080	2.8
111.11750	3.2
117.06994	2.4
119.08582	26.9
119.09390	1.9
121.10148	46.8
123.08073	1.7
123.11712	17.6
125.09648	5.0
131.08592	6.8
133.10136	18.7
135.11702	32.9
137.13264	14.1
145.10139	8.5
147.11679	22.4
149.13255	31.7
151.14867	3.7
157.10150	1.9
159.11691	11.9
160.12419	1.8
161.13269	18.2
163.14821	15.7
167.14343	3.7
173.13289	5.8
175.04485	6.5
175.14818	7.9
177.16321	11.2
179.14378	2.8
181.15924	3.8
185.13210	1.3
187.14841	4.4
189.16374	10.9
191.17947	45.8
192.18219	1.5
193.15909	8.8
195.17476	5.0
199.14905	1.7
201.16429	3.1
203.17967	17.3
205.19464	8.6
215.18021	2.4
217.19504	20.0
219.21127	2.0
221.19044	1.6
229.19592	4.5
231.21126	2.4
233.19029	2.8
235.20619	1.8
243.21149	5.9
247.20612	3.2
257.20215	1.4
257.22662	6.8
271.24246	1.4
299.27368	4.5
325.67801	1.5
329.28174	1.6
343.30383	1.5
367.33527	4.4
385.24313	1.8
385.29291	34.0
385.34634	65.9
386.29974	2.0
386.34915	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	386.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01868	5.3
55.05503	3.3
56.96543	2.6
57.03418	6.5
61.02921	11.3
64.90884	2.2
65.25168	2.4
67.05499	8.4
68.05841	3.1
69.03437	20.3
69.07063	4.5
69.83400	2.1
70.56622	6.4
71.04993	5.3
73.02914	5.9
75.99191	2.0
77.03899	2.3
77.95395	1.9
79.05496	37.9
80.05831	2.6
81.03436	11.8
81.03853	2.9
81.07040	9.2
82.07415	3.5
82.35337	2.1
83.04967	2.7
83.08595	2.0
85.02908	89.0
85.06546	35.0
87.04480	4.5
91.03957	5.7
91.05463	6.0
93.07037	6.2
95.04950	6.1
95.08590	4.0
95.42004	1.9
97.02894	23.4
97.06532	7.5
97.10133	3.1
98.20816	2.6
99.04464	4.5
105.03387	22.6
105.07003	4.5
107.04955	4.2
107.08578	6.0
109.02883	4.8
109.06538	2.5
109.10169	3.9
110.06076	2.5
112.07597	5.3
113.94671	2.1
115.05444	2.6
119.08581	3.6
121.06535	2.4
121.10130	3.0
123.04432	100.0
127.03918	20.7
129.07008	3.3
131.08508	3.2
132.08931	2.3
137.05980	24.5
138.22455	2.0
140.07089	3.7
141.07013	2.3
145.04955	38.2
145.06450	9.7
146.06828	8.4
147.05495	2.6
147.08018	3.0
150.09135	3.6
153.01834	3.2
157.06404	2.7
161.05948	3.0
163.06023	8.9
163.07405	2.7
167.07002	10.3
173.05984	3.4
178.08664	3.7
181.05014	5.4
189.09053	4.4
196.08392	2.8
202.54060	2.4
206.15526	2.2
224.16385	12.1
228.14577	3.2
238.13113	2.7
255.13847	2.9
256.14105	6.4
273.14899	2.9
274.15106	6.5
350.22150	10.8
354.14346	5.7
368.23111	41.1
386.16910	3.8
386.24435	19.5
387.14297	9.2
389.45953	2.1
399.10696	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.2
55.05514	3.3
56.96544	2.0
57.03439	27.9
61.02922	15.4
65.03957	2.1
67.05509	4.9
69.03435	37.3
69.07058	3.4
70.06583	11.7
71.01352	4.9
71.04984	3.5
72.08150	10.0
73.02919	59.9
79.05494	5.0
81.03439	10.4
83.04971	4.4
84.04488	2.3
84.08134	8.5
85.02385	5.1
85.02907	100.0
86.09723	7.1
87.04432	3.6
91.03952	4.3
91.05480	6.5
95.04932	4.3
96.08146	2.4
97.02311	4.4
97.02898	49.2
97.06516	2.6
98.03217	2.2
98.97594	3.3
99.04456	7.5
102.05576	3.2
105.07044	3.9
107.04963	3.0
107.08582	5.8
109.02880	9.4
109.06520	2.7
110.07205	3.7
111.04503	2.5
115.03941	30.3
116.98638	2.4
120.08112	2.5
121.10159	3.1
123.08044	4.7
124.07578	2.7
127.03915	29.7
129.10240	3.2
131.04907	4.0
131.08589	3.0
133.04968	6.9
133.06514	2.1
133.10248	2.4
135.04437	6.7
136.07620	3.4
137.06023	3.0
138.06616	4.8
145.04958	58.7
147.04416	4.1
147.05606	2.9
151.07573	5.8
163.03958	3.1
163.06027	36.7
163.07411	3.3
163.11211	5.1
163.83032	2.2
164.07007	2.4
165.05411	2.2
166.08571	10.8
167.03424	8.8
167.07040	3.5
167.08989	8.4
170.20624	2.0
173.04871	2.2
177.05484	4.5
178.08638	2.6
179.07011	2.2
185.03914	2.1
193.04996	3.8
207.13843	7.8
224.09293	5.3
224.12881	8.0
225.07349	33.2
225.10887	12.1
237.13376	5.0
241.07140	3.5
249.83025	2.0
295.10275	3.6
341.14148	2.9
386.15363	5.0
387.12424	7.0
387.16650	27.0
395.24582	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	386.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.6
57.03437	2.0
57.07072	12.7
59.03936	0.8
59.05010	1.1
60.09392	0.8
61.02917	1.9
65.03925	0.8
67.05497	1.3
69.03426	4.6
69.07083	1.0
69.94505	3.9
70.06580	1.4
71.04974	1.0
73.02901	1.6
79.05508	1.0
81.03413	2.8
81.07051	1.1
83.08609	3.3
84.08154	1.3
85.02914	16.3
86.09731	0.9
87.04456	1.1
89.06033	68.5
91.05461	3.2
93.07040	1.7
95.04964	2.1
95.08605	1.3
97.02882	4.5
97.06521	3.6
99.04444	1.1
101.09666	11.4
103.05446	1.0
105.07037	1.7
106.04179	1.6
107.04952	1.6
107.07049	3.6
107.08605	1.0
109.02887	2.2
113.07853	0.9
115.05444	0.9
117.07007	1.4
119.10669	1.6
121.06528	1.8
123.04484	0.9
127.03910	2.4
129.73586	0.8
131.04945	1.0
133.06436	2.3
133.08601	22.2
133.10127	1.0
135.04410	1.3
137.05983	10.2
142.12305	0.9
142.27396	0.9
143.04939	0.9
145.04903	2.1
145.06514	1.1
145.12244	10.0
149.05927	1.9
151.03860	2.3
151.07613	2.0
151.09665	29.4
153.05475	1.7
161.05925	2.4
163.04015	1.1
163.07504	1.0
167.07033	3.5
168.07399	0.8
173.06018	1.1
177.05482	3.8
179.06989	1.0
181.04962	4.3
181.12242	3.4
191.06975	1.3
191.73679	0.8
193.04974	1.0
193.08595	1.4
201.05539	4.4
202.05844	5.4
207.15921	100.0
208.16243	1.7
215.06923	1.1
225.14882	1.8
233.07899	1.0
281.09235	1.2
386.25424	1.7
387.14468	4.4
387.19547	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	387.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04509	0.9
53.03955	0.8
55.01866	1.5
65.03939	4.4
67.05473	1.0
69.03425	1.4
69.41712	0.7
70.70081	1.4
70.70423	0.9
71.04990	0.8
77.03934	1.0
78.04693	3.3
79.05477	2.8
81.07054	0.9
83.04971	0.9
84.04504	0.9
85.02885	1.5
86.09688	2.1
89.03907	1.9
90.04684	1.7
91.05487	3.9
93.03413	2.1
93.07032	1.7
95.04957	2.1
97.06535	1.3
102.04688	2.0
103.05466	11.0
104.06262	13.3
105.03375	3.0
105.07037	15.5
106.04180	1.7
107.04958	3.1
109.06487	1.1
115.05460	6.2
117.03387	3.2
117.07027	1.2
118.04151	3.3
119.04927	3.2
121.02863	3.0
121.06499	2.3
121.10149	1.0
123.04440	0.9
125.06042	1.3
130.04131	2.7
131.04929	72.0
132.05711	73.0
133.02855	5.1
133.06496	11.5
133.10197	1.6
134.03557	1.4
135.04391	1.0
137.05980	13.1
137.09581	2.2
143.04916	1.6
143.06067	1.2
145.06479	1.4
146.03616	4.2
146.11816	0.9
147.04393	2.3
148.05196	1.8
149.02344	10.1
149.05989	5.0
151.03914	1.5
151.07492	1.1
153.05542	1.6
159.04373	1.9
160.05203	23.9
161.05980	41.6
162.03188	1.7
162.06642	1.2
163.03880	3.6
163.07491	1.5
165.05473	4.3
165.06837	1.7
167.07031	12.2
173.06027	1.2
176.04706	2.3
177.01872	6.4
177.05466	14.3
178.06221	2.2
178.07750	1.3
179.03362	1.9
179.07008	2.4
179.08472	1.5
180.07820	8.5
181.04994	1.7
181.06438	1.2
181.08578	2.2
182.09413	2.2
189.01843	1.9
189.16325	0.9
191.03307	1.2
191.07027	8.1
192.04225	1.7
192.07802	38.1
193.04898	2.6
193.08434	2.6
201.09041	0.8
203.03354	3.6
203.07126	0.8
207.08115	1.6
207.13799	1.5
209.08122	2.8
210.07050	1.1
210.08827	5.0
218.29594	0.8
221.05972	2.0
233.04396	2.5
233.08064	0.9
235.07559	1.6
238.06491	0.9
249.05461	4.2
263.06946	1.4
265.04715	1.0
266.05573	1.2
276.04239	1.0
277.04929	3.7
291.06628	2.0
294.05203	2.1
295.06104	0.9
305.04355	2.1
309.07590	3.4
319.06000	2.1
322.04721	1.8
337.07047	100.0
338.07480	5.1
338.11127	0.9
357.09586	4.2
357.13358	1.8
369.09598	10.0
369.13766	1.1
387.10303	12.7
387.14554	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	387.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01868	2.3
55.05507	2.0
57.03445	0.8
57.28214	0.5
58.95995	0.6
65.03941	5.3
67.05505	2.0
69.03421	1.1
69.07076	2.8
69.25323	6.1
71.05017	0.6
78.04699	3.1
79.05495	4.7
81.03414	0.7
81.07062	1.8
83.04981	0.7
84.85383	0.6
85.02917	1.6
89.03923	1.9
90.04696	2.3
90.46382	0.5
91.05480	6.8
93.03430	2.0
93.07040	1.9
94.04192	1.8
94.63380	0.5
95.04984	2.9
95.08595	1.6
97.06529	10.2
102.04696	1.6
103.05464	13.5
104.06258	12.7
105.03347	2.9
105.07030	16.3
106.04179	1.6
107.04951	2.7
107.08620	1.6
109.06475	1.0
109.10162	1.4
111.04437	0.8
115.05462	8.7
117.03370	3.7
117.06990	1.5
118.04179	3.8
119.04941	2.5
119.08602	1.4
120.05763	0.6
121.02837	3.8
121.06506	2.8
121.10153	1.0
121.46722	0.7
122.03674	3.3
123.04421	1.6
123.08061	0.6
123.11688	0.7
125.06010	0.9
129.06964	0.7
130.04155	2.3
131.04927	73.3
132.05710	79.5
133.02855	5.2
133.06508	14.3
133.10146	1.1
134.03629	1.4
135.04417	1.0
137.05972	46.2
138.06262	0.7
139.03893	0.8
143.04919	2.0
145.02852	1.0
145.06491	2.0
145.10161	1.2
146.03624	4.0
147.04416	3.3
148.05199	2.0
149.02338	9.7
149.06009	4.9
151.03922	4.2
151.07578	1.0
154.06161	0.8
157.06496	0.6
159.04393	1.6
159.08041	1.0
160.05197	25.7
161.05975	45.7
162.03116	1.5
162.06552	1.7
163.03896	3.2
163.07530	2.0
164.04703	0.6
165.05515	4.3
165.07013	2.1
167.07047	14.8
167.08455	1.2
171.06470	0.6
171.11743	0.7
173.06004	2.6
175.03897	1.8
175.07596	1.1
176.04765	1.9
177.01837	6.5
177.05457	12.9
177.06895	0.8
178.02615	0.8
178.06223	2.5
178.07651	0.9
179.03409	2.3
179.07022	2.1
179.08595	1.7
180.07820	8.0
181.04968	9.9
181.06522	1.1
181.08525	2.3
182.09390	2.2
183.08125	0.6
185.09744	0.8
187.07584	0.6
189.01848	1.0
189.06976	1.4
189.08890	0.6
191.03453	1.1
191.07030	10.0
191.08623	1.2
192.04216	1.3
192.07802	40.6
193.04913	2.0
193.06532	1.3
193.08524	2.2
195.06497	0.6
197.05806	0.8
203.03369	4.5
203.07147	0.9
205.06422	0.7
205.08618	1.4
207.08081	1.0
209.08113	1.8
209.91646	0.6
210.07124	0.9
210.08852	4.4
213.09094	0.7
215.06970	0.8
215.10643	0.7
217.08582	1.0
221.05942	2.9
222.06689	0.6
223.07591	0.9
225.09251	0.7
231.02948	0.7
233.04425	3.2
233.08028	1.1
233.11714	0.8
235.07544	1.6
235.09605	1.3
238.06271	0.7
241.08629	1.8
248.04643	0.6
249.05383	4.5
250.06203	1.0
251.06958	0.8
251.10413	0.6
259.09589	1.7
263.07019	1.2
265.05069	0.9
266.05701	1.9
272.39291	0.6
277.05063	3.1
278.05548	1.1
291.06537	2.1
294.05252	1.9
295.05948	0.7
299.09055	0.7
305.04440	1.6
309.07559	3.7
309.10913	1.1
319.06058	1.3
322.04691	1.9
337.07043	100.0
338.07385	4.0
354.07315	1.2
355.15369	0.9
357.09586	3.5
357.13379	5.7
369.09589	8.7
369.13617	0.9
380.28964	0.7
387.10614	9.9
387.14429	12.0
387.19205	1.0
387.24976	1.2
387.29611	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	387.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11009	0.6
53.03941	0.7
55.01865	2.0
55.05497	3.0
56.96551	1.3
57.03424	1.2
65.03938	5.4
67.05491	2.4
69.03439	1.3
69.07094	3.5
70.64261	2.2
72.45807	0.7
78.04699	2.8
79.05486	5.3
81.03415	0.7
81.07043	2.4
83.04987	1.6
83.08612	1.3
85.02899	1.0
85.06563	1.0
89.03906	2.0
90.04701	1.8
91.05494	6.3
93.03422	1.7
93.07048	3.2
94.04198	1.8
95.04970	3.3
95.08607	2.1
97.06537	12.4
97.10148	0.9
100.11262	3.4
102.04689	1.9
103.05466	11.3
104.05639	1.3
104.06255	15.3
105.03397	2.5
105.07034	13.9
107.04935	2.5
107.08599	1.1
109.06506	0.8
109.10165	2.0
111.04426	1.5
111.08080	1.1
115.05457	7.6
117.03371	3.0
117.07017	1.1
118.04160	2.7
119.04932	3.3
119.08599	1.0
121.02878	3.8
121.06493	3.0
121.10088	1.0
122.03642	4.4
123.04448	1.2
130.04153	2.3
131.04930	66.6
131.08614	0.9
132.05714	78.1
133.02849	4.2
133.06520	11.7
133.10149	1.0
134.03638	1.5
135.04381	1.3
135.11682	0.9
137.05980	51.9
143.04900	2.0
145.06508	1.7
145.10088	1.2
146.03636	3.9
147.04414	4.0
148.05190	1.4
149.02354	9.0
149.05913	5.4
149.13232	1.1
151.02730	0.7
151.03882	4.6
151.07503	1.5
152.06194	0.8
153.05460	1.2
157.06592	0.8
159.04428	1.1
159.08025	0.8
159.11662	0.9
160.05190	29.3
161.02348	1.7
161.05984	46.4
161.13141	0.7
162.03079	1.8
162.06705	1.9
163.03886	2.8
163.07568	1.7
165.05466	5.5
165.06953	1.9
167.07043	13.9
167.08421	1.5
173.05994	2.4
175.03946	1.7
175.07553	0.7
176.04706	2.2
177.01897	5.6
177.05479	16.1
177.09010	0.8
178.06305	1.7
178.07710	1.0
179.03403	2.4
179.07001	2.7
179.08467	1.4
180.07843	7.9
181.04982	9.3
181.08542	2.7
182.09381	2.1
182.15341	1.3
183.07964	0.9
187.07512	1.2
189.01895	1.1
189.09155	1.0
191.03394	1.5
191.07030	10.4
192.07809	43.3
193.04924	1.8
193.06497	1.8
193.08463	2.3
195.08131	0.8
199.07544	1.7
201.09093	0.9
203.03362	3.7
203.07085	1.4
204.17479	0.7
204.66460	0.9
205.08640	1.1
207.08086	1.6
209.08095	2.5
210.08812	4.2
210.14874	1.4
215.06969	1.0
215.10785	0.9
217.05048	1.0
220.05202	1.0
221.05998	3.1
233.04408	2.8
233.08139	1.0
235.07570	1.2
235.09706	1.0
238.06195	0.9
241.08621	2.9
249.05426	4.1
250.06114	0.8
251.07104	1.2
253.08635	1.1
255.10251	1.0
259.09741	2.0
261.07672	0.8
263.07013	1.1
266.05728	1.2
277.04984	3.6
280.59442	0.9
281.08258	0.9
291.06519	3.0
294.05225	2.3
305.04465	2.4
309.07629	3.0
319.06052	2.2
321.04105	1.0
322.04733	1.8
337.07059	100.0
338.07547	5.9
354.07196	1.4
355.15332	1.7
357.09546	3.4
357.13364	5.2
369.09561	9.9
369.13510	1.0
370.09692	1.0
387.10580	10.0
387.14453	13.7
387.18204	1.1
404.12192	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	387.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01871	2.2
55.05492	0.5
56.96561	0.6
57.03424	1.1
65.03938	3.8
67.05491	1.5
69.03414	1.1
69.07062	1.4
71.04990	1.0
71.11768	0.5
73.02914	0.6
78.04710	1.9
79.05492	3.6
81.03439	0.7
81.07066	2.5
83.04972	1.0
83.08601	0.5
85.02898	1.7
86.09682	0.5
89.03915	1.0
90.04694	1.2
91.05479	4.5
93.03378	0.9
93.07043	1.7
94.04179	3.3
95.04953	3.0
95.08574	2.0
97.02888	0.8
97.06533	3.9
102.04676	1.4
103.05476	7.4
104.06249	7.3
105.03379	1.3
105.07037	9.0
106.04185	0.7
107.04951	2.3
107.08562	0.9
108.02109	0.5
109.06526	1.2
109.10156	1.4
110.03632	0.4
111.04417	0.9
115.05452	5.6
116.98611	0.7
117.03375	1.8
117.07020	2.3
118.04158	1.7
119.04937	1.8
119.08578	1.4
121.02875	2.4
121.06493	2.0
121.10126	1.2
122.03640	9.9
123.04410	1.2
123.08085	0.6
124.05238	0.8
125.05994	0.5
129.07024	0.5
130.04150	0.8
131.04927	35.9
132.05710	40.9
133.02849	3.2
133.06528	6.1
133.10115	1.0
134.03603	1.2
135.04373	1.0
135.08046	0.7
135.11630	0.5
137.05974	100.0
138.06294	0.9
139.03888	0.5
143.04955	3.0
145.06465	3.1
145.10172	0.6
146.03622	2.6
147.04361	2.1
147.08064	0.5
147.11690	0.7
148.05199	0.6
149.02333	5.9
149.05943	2.6
149.09647	0.6
151.03925	3.8
151.07535	1.6
153.05334	0.6
153.06941	0.5
155.06001	0.7
157.06433	0.5
159.04407	0.9
160.05197	14.4
161.05974	25.3
162.03107	0.7
162.06584	0.9
163.03928	1.4
163.07521	1.4
165.05495	2.5
165.06859	0.8
167.07039	17.3
171.04391	0.6
171.06531	1.8
173.05975	3.7
175.03946	0.6
175.07574	1.9
176.04681	1.7
177.01888	4.5
177.05470	8.1
178.06236	1.3
178.07811	0.7
179.03406	0.8
179.07024	1.8
179.08516	1.0
180.07787	4.1
181.04948	21.0
181.08583	1.9
181.12257	0.8
182.09303	1.0
187.07460	0.9
189.01973	0.6
191.03416	0.6
191.07005	6.8
191.08640	0.8
192.07806	21.7
193.04936	1.3
193.06665	0.9
193.08566	1.8
201.05476	0.6
201.09064	0.6
203.03432	1.7
203.07022	2.0
205.06729	0.9
205.08476	2.9
207.08159	0.7
209.06146	0.6
209.08112	1.5
210.07039	0.6
210.08717	2.1
215.06989	1.0
221.06009	1.5
229.24837	0.6
233.04376	1.5
233.08145	1.2
234.06734	0.7
235.07571	1.0
235.09654	2.2
237.02797	0.4
237.05664	0.5
237.09149	0.4
247.07747	0.6
249.05440	1.8
250.06383	0.6
251.06914	0.5
259.09705	0.6
263.07010	0.8
266.06342	0.5
277.04935	1.2
279.06506	0.5
283.13199	0.6
291.06586	1.0
293.08234	0.6
294.05286	0.9
305.04376	1.0
307.06174	0.5
307.09665	0.8
309.07553	2.4
309.11011	0.8
319.06061	0.9
322.04385	0.6
327.12137	0.5
331.05545	0.5
337.07047	54.1
338.07523	2.5
341.13971	0.5
351.12323	1.4
354.07562	0.5
357.09552	1.9
357.13339	10.5
369.09546	5.8
369.13547	1.2
387.10562	4.6
387.14374	25.0
387.19058	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	387.1439
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03938	0.5
55.01861	1.2
55.05503	0.4
56.73054	0.3
65.03933	1.6
67.05502	1.3
69.03435	0.8
69.17514	2.7
69.17934	1.0
71.04987	0.4
71.29392	0.4
76.38692	0.3
78.04696	0.4
79.05489	1.6
79.67581	0.3
80.53762	0.3
81.03414	0.7
81.07052	1.1
85.02921	1.8
85.80511	0.3
85.93031	0.4
91.05482	1.9
93.03400	0.7
94.04197	2.8
95.04968	1.1
95.08603	0.5
97.06535	3.4
98.20744	0.7
103.05477	2.5
105.07023	0.9
107.04956	1.3
109.06520	0.8
110.03683	0.5
111.04412	0.4
113.42126	0.4
115.05463	2.2
117.07026	2.0
121.10138	0.4
122.03658	7.7
123.04452	0.9
125.05958	0.6
125.80276	0.4
131.04938	2.5
133.02876	0.7
133.06490	0.4
135.04424	0.4
137.05981	100.0
138.03143	0.9
138.06320	0.8
142.02625	0.6
143.04909	2.8
145.06493	2.5
148.05193	1.6
149.06067	0.5
149.09619	0.4
151.03908	8.8
151.04848	0.4
153.05453	0.9
155.06033	0.6
161.05946	1.0
163.07565	2.4
165.05522	0.7
167.07048	15.5
171.06516	1.3
173.05988	3.1
175.07549	1.6
181.04965	25.0
181.12254	0.6
189.05513	0.4
191.07043	9.4
191.08482	0.4
195.06514	0.4
195.08202	0.4
203.07030	2.7
205.08514	2.5
217.08469	0.5
221.08089	0.5
225.15009	0.5
233.08112	2.1
235.09627	2.6
263.09338	0.5
265.08716	0.6
267.10400	0.5
269.08224	0.5
295.09866	0.4
309.11246	0.8
325.10822	0.4
327.12476	0.6
337.10742	0.7
341.13852	0.6
351.12241	1.1
355.11545	0.7
355.17172	0.5
357.13336	12.6
369.13281	1.1
385.83322	0.4
387.14392	32.7
388.14487	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	387.144
Annotation	Magnolone
Peak:m/z	Relative Intensity
52.60868	0.3
53.03936	0.4
55.01858	0.9
55.05508	0.4
65.03942	1.8
66.04692	0.4
67.05492	1.4
69.03427	0.9
69.07069	0.4
70.62048	1.1
71.04982	1.4
72.62246	0.3
78.04716	0.4
79.05486	1.5
81.03400	0.4
81.07044	1.2
83.04977	0.5
85.02894	1.5
85.42028	0.3
86.09713	0.7
87.36135	0.3
91.05470	1.9
93.07049	0.6
94.04189	2.6
95.04956	1.1
95.08610	0.6
97.02876	0.4
97.06545	2.0
103.05477	3.1
103.57258	0.3
104.39339	0.3
105.03406	0.3
105.07040	1.1
107.04957	2.0
107.08592	0.3
108.02081	0.5
109.10127	0.4
110.03651	0.7
111.04416	0.6
115.05467	2.1
117.06982	1.9
118.04150	0.5
119.08595	0.7
121.06555	0.5
122.03650	7.6
123.04421	0.7
125.06011	0.7
129.07002	0.4
131.04939	2.8
132.05647	0.4
133.06474	0.6
137.05975	100.0
137.09492	2.0
138.03072	0.6
138.06313	1.0
143.04927	2.6
145.06491	2.5
147.08051	0.6
147.11705	0.4
148.05185	1.8
151.03908	9.1
151.04990	0.6
151.07483	0.8
153.05428	0.5
155.06088	0.6
161.05971	1.3
163.07561	3.0
165.12764	0.7
167.07034	13.1
171.04430	0.4
171.06563	1.3
173.05969	3.6
175.07558	1.3
177.05467	0.6
181.04955	22.4
181.08542	1.1
185.06052	0.5
189.05461	0.4
189.83098	0.3
191.07031	8.8
191.08380	0.4
195.06581	0.4
201.09113	0.7
203.07042	2.2
205.08516	1.9
207.13780	3.7
209.08090	0.5
213.05482	1.4
217.08650	0.4
225.14867	0.6
227.07066	0.6
233.08107	1.3
235.09561	2.5
277.08499	0.4
291.08636	0.6
309.11179	0.6
325.10446	0.5
327.12784	0.6
351.12326	1.2
355.11652	0.8
355.17056	0.8
357.13306	13.1
369.13571	1.9
387.14380	29.7
387.18933	1.0
388.14581	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	387.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16497	3.0
53.03930	4.7
55.01863	6.8
55.05514	6.2
58.13646	3.3
61.02916	9.4
67.05489	8.0
69.03439	21.9
69.07064	8.1
69.53488	22.3
70.06592	8.3
71.04983	4.4
72.08148	7.3
79.05473	9.3
81.03404	9.5
81.07051	10.0
83.04984	3.9
84.08134	3.2
85.02901	51.3
86.09711	37.7
91.05461	10.0
93.07047	9.2
95.08608	76.4
96.52863	3.3
97.02895	19.8
105.07048	22.6
107.04920	5.0
107.08595	9.3
109.02886	6.5
109.10145	8.6
119.04945	4.1
119.08581	39.4
121.10143	20.4
123.04449	3.5
123.08076	17.3
127.03914	10.5
131.08542	5.7
133.06470	12.2
133.10121	24.8
135.04465	6.6
135.11688	61.9
137.09618	12.3
137.13252	5.9
137.14781	3.2
143.08542	3.6
145.04977	10.3
147.04433	3.3
147.08025	8.6
147.11697	36.1
149.09622	46.3
151.03903	5.5
151.07594	15.1
151.08580	3.4
151.11128	4.1
159.08038	5.6
161.09309	6.5
161.13269	100.0
163.11235	4.0
165.09076	5.0
165.12740	4.1
171.11641	6.9
174.10397	5.8
177.05655	3.2
179.14278	8.6
183.42267	3.0
189.12735	90.8
198.84787	3.2
199.18059	8.1
207.13818	63.0
225.07355	8.0
225.12599	3.7
227.17552	7.1
330.21243	3.2
387.16370	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	387.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07843	2.4
50.42447	1.8
52.33608	1.9
53.03941	5.6
55.01876	9.8
55.05509	26.6
56.96555	6.7
57.03427	14.2
57.07074	3.7
58.41795	2.0
59.04993	4.7
60.04533	2.5
61.02930	15.2
65.03911	3.3
67.05506	19.4
69.03429	57.2
69.07069	18.3
70.06586	23.4
70.84573	5.1
70.84897	2.7
71.04995	17.1
72.08136	9.4
73.02908	11.1
74.06108	2.5
79.05492	12.4
81.03415	20.8
81.07056	41.7
81.07523	1.4
83.04978	90.5
83.08613	6.7
84.08136	12.8
85.02907	99.6
85.06541	9.8
86.09709	11.1
87.04470	10.6
91.05479	10.9
93.07044	16.3
95.04973	33.0
95.08604	17.9
97.02892	40.3
97.06524	9.6
98.97594	4.6
99.04452	35.4
101.05350	2.5
103.05460	3.8
105.07014	12.8
107.04950	5.8
107.08588	27.8
109.02886	18.7
109.06525	18.0
109.10146	18.5
111.04447	4.7
111.08080	7.6
113.06007	3.1
113.41349	2.0
115.05453	3.2
116.07101	6.6
116.98637	4.5
119.04949	2.3
119.08593	9.4
120.08190	3.7
121.06520	7.7
121.10161	8.7
123.04441	5.4
123.08092	4.1
123.11714	24.8
125.09627	22.7
127.03922	26.8
128.04274	2.7
129.10281	4.5
131.04933	3.4
131.08563	7.0
133.06447	4.2
133.10129	19.1
134.99710	3.3
135.04408	5.1
135.08078	5.9
135.11681	4.8
136.07559	2.8
137.05980	8.0
137.09619	35.6
139.03940	4.8
141.05484	4.4
145.04956	16.7
145.10153	5.5
147.04414	2.3
147.08055	3.5
147.11653	3.2
148.07626	2.5
148.60168	2.1
149.05959	4.5
149.09645	15.3
149.13264	5.2
151.03935	5.0
151.07533	8.3
151.11189	33.1
153.09081	3.0
153.12741	46.4
156.10094	2.3
159.11742	10.5
161.01363	2.7
161.05974	3.4
161.13232	3.7
163.03870	3.2
163.11214	3.3
165.05460	3.4
166.08685	3.3
167.07076	6.4
167.10661	12.1
167.14320	13.5
169.08669	2.8
173.13110	4.8
177.05516	4.9
177.12746	8.0
179.07121	4.1
183.13840	3.2
187.10840	3.1
189.12770	4.8
191.05688	7.1
191.14279	3.0
193.04941	3.1
193.08492	3.1
195.06570	2.4
195.13800	100.0
197.08086	4.9
201.12424	3.6
206.81975	2.2
207.06592	5.0
207.13763	12.2
209.04520	6.0
209.15382	10.2
210.01549	10.6
211.02072	2.3
220.07455	2.1
225.03973	25.0
225.07381	26.4
225.12656	5.0
225.14883	19.2
237.02817	4.6
291.61060	4.3
311.09012	4.2
326.11493	6.8
327.12411	3.5
337.10727	2.8
343.13574	7.3
357.18906	5.0
369.13412	8.8
387.12265	22.8
387.16800	55.7
387.26907	5.8
388.16510	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	387.2012
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.05502	11.2
66.16537	8.0
67.05507	20.6
69.03428	23.7
70.44688	18.6
79.05532	9.2
81.03400	9.0
81.07059	29.1
85.02903	99.7
86.70191	11.3
91.05482	20.2
95.08604	57.2
97.02900	15.2
105.07008	9.1
109.10172	24.5
113.06089	11.3
119.08572	22.9
121.10203	15.4
123.08083	17.5
123.11704	96.9
125.05998	18.6
127.03922	17.2
137.06093	8.4
147.11668	22.3
149.09648	24.3
151.07584	15.0
169.56386	7.9
189.12820	24.3
207.13846	100.0
225.14931	23.1
291.45248	9.8
333.17099	23.9
351.18021	30.5
387.15930	55.2
387.20322	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	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.51335	5.6
59.04999	11.9
69.03402	7.7
71.04955	7.3
71.07614	6.2
71.07951	15.4
71.45557	6.6
81.07051	10.3
85.02891	18.2
86.09699	6.7
91.05489	11.5
93.07053	15.2
101.06004	8.4
103.15657	7.5
105.07039	24.8
107.04964	9.6
107.08575	37.5
109.06510	16.0
109.10152	8.0
119.08579	15.6
123.08073	23.6
126.13313	6.5
135.08081	14.0
135.11679	14.0
137.09627	100.0
147.11772	9.7
149.09673	9.1
151.51984	6.6
153.09039	7.9
161.13303	13.4
189.12794	16.0
207.13702	20.1
225.14703	8.1
327.65033	7.3
369.12399	6.7
387.15378	13.1
387.20117	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	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.05001	5.2
67.05486	4.3
69.65617	13.2
74.04647	3.0
79.05496	4.0
81.07116	2.8
84.37812	2.7
85.02882	2.9
91.05485	4.3
93.07043	2.9
94.04168	3.4
95.04948	3.7
95.08592	4.9
105.07027	3.9
107.04971	5.4
107.08601	12.7
109.06513	6.0
109.10149	4.3
117.07018	3.4
118.97890	2.8
119.08559	4.3
121.10109	4.4
122.03645	4.9
123.08072	13.1
133.06470	2.7
135.11696	4.0
137.05983	100.0
137.09602	27.9
138.06326	3.3
143.04922	5.5
149.09610	4.4
153.09143	3.8
161.13292	3.1
165.05478	3.3
166.12839	2.4
166.84154	2.2
167.07062	13.0
173.05986	4.3
176.58640	2.4
181.04945	16.5
189.12808	4.3
207.13829	10.1
232.57381	2.3
239.75285	3.0
239.84309	2.1
250.69418	2.2
294.53397	2.5
357.13345	8.4
387.14542	23.8
387.19339	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	387.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.0
55.01876	6.7
55.05510	8.7
56.96569	5.5
57.03428	9.9
57.07077	3.0
61.02925	6.3
63.21948	2.1
65.03925	4.2
67.05497	12.9
69.03429	37.0
69.07078	12.1
70.06592	13.9
71.01341	2.7
71.04981	7.3
71.48737	4.1
72.08155	23.6
73.02917	5.2
79.05500	15.0
81.03414	11.9
81.07060	9.7
83.04961	4.4
83.06082	4.0
84.04502	6.8
84.08145	9.8
85.02910	56.3
85.03399	5.0
86.09701	23.3
87.04462	6.8
91.03954	3.0
91.05467	15.9
93.07051	11.1
95.04949	11.9
95.08616	63.7
97.02895	24.6
97.06545	6.9
98.97584	8.7
99.04440	3.6
103.05482	3.4
105.07030	26.4
106.06586	2.7
107.04956	7.3
107.08588	17.7
109.02898	7.9
109.06512	7.4
109.10123	12.3
110.07210	3.1
110.97613	2.4
111.08033	3.3
115.03972	4.6
115.05469	3.2
116.98615	5.9
117.07038	3.6
119.04956	7.2
119.08588	41.4
120.08097	4.4
121.06485	7.6
121.10139	19.1
123.08087	16.5
123.11724	3.1
127.03897	11.7
128.98573	2.7
129.10237	4.8
131.04913	2.6
131.08568	6.7
133.06534	9.2
133.10106	22.5
134.99657	5.8
135.04436	6.4
135.08093	4.8
135.11694	48.4
137.06006	9.6
137.09627	17.9
137.13272	5.6
145.04942	7.0
145.10109	4.8
147.04433	11.4
147.05530	3.7
147.06956	2.1
147.08072	9.0
147.11690	38.7
149.06026	5.3
149.09618	39.4
151.03934	5.0
151.07538	14.4
153.05466	5.4
156.08115	2.4
156.09355	3.3
159.08032	2.5
159.11960	2.4
160.03986	2.5
161.09631	2.6
161.13255	57.6
162.09029	2.6
163.04004	4.2
163.07538	5.8
163.11157	12.6
165.05476	3.2
165.12752	5.9
166.47041	2.3
167.07085	8.2
171.11700	7.9
171.14868	3.2
174.10399	5.2
175.07506	2.9
177.05458	8.4
178.09828	4.7
179.06958	3.3
179.10605	3.1
179.14366	7.0
181.05156	3.3
181.08578	6.5
189.12730	65.9
191.14462	2.7
195.06526	5.6
199.14395	5.4
207.06454	3.5
207.13803	78.9
209.11694	11.8
225.03781	3.3
225.07520	4.0
225.11064	10.2
225.14886	11.3
226.14471	2.4
234.14815	3.2
236.06319	8.2
236.56174	2.9
270.66632	2.4
323.10461	3.3
325.16431	4.8
355.09149	3.2
358.08179	10.7
369.14087	3.4
369.19522	3.8
387.16241	100.0
388.15936	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	387.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.7
59.04982	5.1
67.05484	7.4
69.03412	6.6
70.84296	5.5
70.84665	8.1
71.86041	3.8
76.63720	4.3
79.05490	8.6
85.02881	7.2
91.05463	9.9
95.04976	6.7
95.08601	16.6
105.07052	6.9
107.04945	15.0
107.08577	13.8
109.06495	11.1
109.10141	5.6
117.34387	3.8
119.08591	10.3
121.10142	4.5
122.03648	7.2
123.04372	4.3
123.08067	24.2
135.11668	5.7
137.05983	100.0
137.09621	28.1
143.04909	4.3
147.11729	6.9
149.05966	4.2
149.09566	8.9
149.86229	3.6
151.03926	7.1
151.07491	4.5
151.78206	3.8
165.05501	12.2
167.07056	17.1
172.74225	3.9
177.05446	5.1
181.04938	14.4
189.12769	12.2
203.06990	5.2
207.13828	22.5
212.17659	4.3
296.99033	4.0
357.13309	13.4
387.14383	34.7
387.19550	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	387.2013
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03944	1.8
53.37873	1.5
55.01865	2.3
55.05501	3.6
57.03431	2.8
65.03935	2.1
67.01867	2.6
67.05495	6.9
69.03416	9.8
69.07056	4.8
69.28749	5.9
69.29168	8.2
70.59450	1.4
71.04990	25.9
79.05478	4.7
81.03413	2.8
81.07059	8.6
83.08630	1.8
85.02899	13.6
86.09692	2.5
91.05466	6.6
92.41683	1.6
93.07044	5.4
94.04201	3.1
95.04954	4.0
95.08591	6.0
97.02876	4.1
97.06528	8.3
98.20831	3.2
103.05502	3.4
105.07012	6.6
107.04930	2.5
107.08589	6.9
109.02831	2.4
109.06492	3.0
109.10159	7.8
111.04456	2.1
115.05452	3.4
117.07014	2.5
119.08594	9.3
121.06472	2.5
121.10143	3.0
122.03636	5.4
122.07343	1.6
123.08089	3.5
124.05169	1.6
131.04881	3.4
133.02875	1.5
133.10112	3.3
135.08044	3.3
135.11719	2.1
137.04907	3.3
137.05977	66.0
137.09604	46.2
137.11833	1.6
137.13206	1.9
138.06317	1.8
143.04904	3.7
145.04884	2.5
145.06526	1.9
147.04372	1.5
147.08035	2.7
151.03937	4.4
151.07545	14.9
155.07004	2.0
161.05969	2.8
161.13271	3.1
165.05475	1.9
165.09103	3.4
165.12750	17.8
167.07027	24.2
173.05962	4.7
174.10330	1.8
175.07538	2.0
177.09007	1.6
179.14284	2.3
181.04982	18.0
181.06413	2.9
187.07451	2.4
189.12738	10.5
191.06999	3.7
201.09056	2.2
205.08727	3.5
207.13797	100.0
213.05475	4.8
225.14839	8.5
231.09082	2.2
233.08064	3.7
235.09723	2.0
249.10040	2.0
291.08667	3.0
295.09610	1.4
304.80786	1.6
309.11346	1.5
339.06473	1.6
339.12488	2.5
357.13278	9.2
369.13159	2.4
372.12189	1.7
387.10361	2.1
387.14557	33.9
387.19867	4.9
388.14377	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	387.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89565	1.1
53.03899	1.1
55.05512	1.2
56.96560	3.0
60.04536	1.2
60.05650	10.3
67.05483	1.3
68.05015	1.2
69.03415	3.8
69.07067	1.7
69.23347	7.2
69.23764	4.8
70.06592	98.3
71.04993	9.3
71.06937	1.3
72.08158	13.1
72.63197	1.0
79.05483	2.3
81.03400	1.3
83.83626	1.2
84.08156	2.5
85.02908	8.6
86.09697	6.8
88.07612	3.4
91.05466	3.3
93.07027	1.3
95.04959	2.6
97.02891	4.0
97.07646	1.4
98.06055	3.2
98.97570	2.2
99.04433	1.4
105.07010	1.4
107.04948	1.8
109.02888	1.2
109.06439	1.4
110.05944	1.6
112.08724	26.0
115.08681	5.4
116.98634	2.1
117.93327	1.1
122.06030	1.4
124.11233	1.9
127.03934	1.9
132.10184	1.3
136.07581	3.8
140.08167	5.1
153.05458	1.4
157.10846	4.8
161.13208	1.4
168.14967	2.3
169.13397	8.3
175.11919	4.2
177.00696	1.3
179.07045	1.7
183.43408	1.2
194.12943	1.4
196.14452	3.3
207.06572	1.5
207.13745	3.3
211.15547	20.8
224.09044	1.2
225.07350	5.2
228.18089	3.5
237.02815	2.1
239.15033	1.6
256.17667	4.0
257.16040	6.7
274.18665	10.0
324.11948	1.2
325.29163	1.3
369.13177	1.4
370.24597	6.3
387.12378	5.8
387.16861	16.5
387.27115	100.0
388.16040	2.2
388.27454	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19543	1.6
55.05503	1.9
64.33769	1.5
65.03904	1.5
67.05483	1.9
69.03428	3.4
69.07047	1.8
70.06587	3.7
71.49352	2.1
72.08169	1.7
81.03378	2.2
83.04960	1.7
85.02872	3.0
86.09687	3.6
93.07032	2.0
95.04951	1.9
95.08582	3.0
97.06512	3.1
97.24166	1.5
104.10711	4.9
107.04913	2.8
107.08564	2.1
107.29842	1.5
109.10155	2.2
123.08105	2.5
137.05968	10.7
138.06325	2.9
140.04964	2.7
149.05916	1.8
154.06468	2.2
155.06033	17.1
158.95808	1.8
167.06004	7.0
167.07179	3.4
167.10683	4.4
168.06900	3.4
169.06294	2.3
169.07616	32.4
170.06000	1.7
172.13284	3.4
177.05348	2.1
179.05997	8.1
181.05023	2.4
183.05502	17.5
185.07098	8.6
193.07582	13.7
194.06046	2.0
195.05504	30.3
195.09206	1.8
196.06276	13.2
197.07088	25.0
198.05481	8.6
201.06665	2.2
207.05547	7.4
207.13759	2.7
208.06281	2.7
208.14127	3.3
209.07021	3.8
210.07867	1.8
211.05017	2.4
211.08665	5.1
212.34944	2.0
213.04739	2.0
213.06621	23.3
221.07092	20.1
223.05019	2.3
225.06595	47.4
227.08063	2.6
229.06116	18.1
235.99626	1.8
237.06636	2.6
238.07326	2.8
239.04541	2.9
239.08151	24.7
241.06044	3.0
243.07591	6.0
249.06630	11.9
251.07956	1.9
253.06023	5.2
255.07182	1.5
257.05557	5.6
265.06125	2.9
267.07602	13.1
269.05441	4.0
271.07138	31.4
277.06149	8.9
285.08682	40.6
295.07132	31.6
313.08179	35.9
324.09677	4.8
328.09262	61.2
329.09488	2.3
331.09174	5.0
342.10757	2.1
346.78888	1.7
352.09106	3.8
370.10342	67.6
371.10455	3.3
388.11237	100.0
388.19550	3.6
388.26984	3.1
389.11713	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	388.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08367	1.9
55.05508	2.7
56.96565	71.9
60.66531	2.2
67.05519	3.4
69.07059	5.9
71.34211	1.9
71.34576	2.8
71.95251	3.7
81.07035	3.3
84.96035	2.3
90.34222	1.8
91.05503	2.7
93.07053	2.4
105.07037	2.0
106.58894	2.0
115.35037	1.9
128.98610	4.2
131.00150	2.2
141.02159	2.7
146.99655	7.5
155.03827	3.5
161.01132	1.8
163.02740	1.9
169.01764	2.3
171.03267	7.7
175.02721	1.9
183.03275	2.5
185.04910	4.6
187.02768	3.1
189.04332	10.9
190.95313	5.8
199.06441	5.7
201.04399	3.0
203.05919	4.4
211.06400	2.8
213.04352	2.0
217.07486	17.0
225.08020	3.0
227.09541	20.2
229.07501	2.9
237.07939	3.1
241.07564	4.8
245.10617	42.4
247.08618	2.1
250.11241	2.1
251.09581	3.4
253.07481	3.0
253.11221	2.3
255.09128	5.6
259.08395	2.5
265.15793	2.0
267.09039	4.4
268.12140	2.9
269.10474	4.9
271.08640	2.7
279.09128	3.9
283.08472	8.4
285.10114	3.2
295.08603	7.0
297.10049	9.2
301.09448	2.3
313.09387	2.1
320.11722	2.5
329.14233	59.9
333.19086	3.9
342.13217	2.8
347.15283	100.0
348.15533	3.0
365.11853	3.5
365.16348	62.3
370.16885	19.1
383.17279	8.2
388.18018	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	388.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07559	1.2
55.05481	1.4
56.96568	50.1
61.02899	1.5
67.05487	2.6
68.90092	1.5
69.07066	1.4
69.40889	1.3
71.49822	2.2
71.95260	4.6
72.19202	1.1
72.96062	1.6
79.05472	1.3
84.96043	1.6
91.05460	2.1
93.07047	1.6
97.06535	2.6
98.97546	1.5
105.07057	1.8
107.05029	1.5
116.98589	1.5
123.01186	1.6
128.98595	3.5
133.01735	1.4
134.99614	1.7
136.84476	1.3
137.02716	1.6
140.79796	1.2
141.02231	1.8
146.99634	6.4
147.03285	2.9
155.03815	2.7
159.03281	2.0
165.00723	2.3
169.01785	2.2
171.03264	2.3
173.04938	2.0
178.03920	2.1
181.05437	1.4
183.03293	1.9
185.04868	2.6
187.02737	2.9
189.04381	3.1
199.06454	3.0
201.04346	1.7
202.01584	1.8
203.05869	3.3
213.07869	1.9
217.07495	3.4
223.06430	1.5
225.08087	4.6
227.05878	1.5
229.07458	2.4
237.04411	1.6
237.07961	5.8
238.06075	1.6
239.09583	2.3
243.09055	6.6
249.08073	1.7
253.11186	8.0
255.09076	3.2
269.10382	1.7
271.12128	5.6
291.12567	1.9
310.20581	1.7
319.16064	2.0
329.14191	24.2
347.15298	100.0
348.15564	2.3
365.16348	89.3
366.16562	4.0
370.16934	5.7
383.17422	3.5
388.17941	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	388.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05500	1.1
56.96566	35.9
57.03445	0.8
67.05492	1.7
69.03413	1.6
69.07047	1.5
71.49929	1.8
71.95277	4.6
74.97599	1.1
79.05492	2.4
81.07046	2.2
83.04990	0.9
84.96035	1.4
91.05471	1.7
93.07039	2.4
95.04943	1.2
95.08587	1.5
98.97576	1.0
99.04454	2.0
105.07024	3.8
106.07337	0.8
107.04972	1.3
107.08598	1.7
108.08936	1.1
109.10150	1.1
110.97582	2.5
116.98599	1.4
119.08553	2.6
123.08051	1.2
123.11662	1.0
128.98622	8.1
131.08521	1.2
133.10040	0.9
135.08015	2.0
143.00108	1.6
145.01616	1.3
145.10127	0.9
146.99623	10.3
148.00391	3.1
149.01151	1.1
151.07497	1.0
155.03789	1.8
157.01712	0.9
159.03259	1.0
160.00462	2.1
161.01210	3.2
165.00710	3.6
166.01501	0.8
167.03741	0.9
169.01787	1.2
169.05351	1.1
171.03236	4.2
173.04828	1.7
175.02881	1.2
179.02249	0.9
179.99478	1.0
181.05275	1.4
183.03278	1.6
184.04028	1.1
185.04848	2.6
187.02797	1.7
189.04333	5.9
191.03793	1.2
191.05855	1.5
197.01303	1.3
197.04865	2.0
199.06390	5.2
201.00729	1.9
201.04333	1.9
201.07942	2.4
203.05913	6.5
204.03098	0.9
209.04893	1.5
211.06352	1.3
213.04408	1.1
215.02171	5.3
215.05907	2.4
217.07420	7.3
219.07094	1.0
219.09129	2.0
221.06917	1.3
223.02791	1.6
223.06355	1.7
227.05859	3.5
229.07442	3.9
231.08955	1.2
237.07959	1.6
239.05840	1.4
240.06667	2.1
241.07411	2.5
243.09036	1.0
245.06946	3.4
247.08496	3.5
255.09019	3.4
257.06863	5.2
258.07751	17.0
259.08624	4.5
269.10593	3.2
273.10135	2.0
275.08044	2.4
276.08810	14.6
281.09265	2.1
287.11798	1.4
290.06833	1.3
301.14798	2.2
303.16251	1.2
319.15866	1.3
321.17490	1.4
323.15097	1.2
329.10431	0.8
329.14191	15.5
347.15271	70.7
348.15521	3.0
365.16333	100.0
366.16577	4.7
369.19415	1.4
370.16742	4.4
383.17432	7.6
388.17947	16.7
388.25653	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	26.9
57.66162	1.1
65.51678	1.3
69.07073	2.1
69.62540	8.2
71.95260	1.8
74.97594	1.7
79.05489	2.2
80.94859	15.3
91.05475	1.1
98.20818	2.2
105.07003	3.0
107.04923	1.7
107.08542	1.3
110.97594	1.2
118.08707	1.4
119.08605	2.0
121.62589	1.3
128.98602	3.2
142.07590	1.0
146.99655	5.1
155.03763	2.0
165.00719	1.5
171.03235	2.6
173.04825	1.1
185.04840	3.1
189.04347	5.3
191.03821	1.3
191.05635	1.3
199.06425	3.0
201.04454	2.0
203.05927	5.5
207.05414	1.4
209.04814	2.0
211.06317	1.4
213.08020	2.7
217.07457	5.4
223.02924	1.2
229.07465	3.3
231.09038	3.2
236.68347	1.3
237.07927	2.4
245.06995	2.3
247.08502	1.9
251.09663	2.0
255.09125	3.1
269.10571	3.5
273.10178	2.3
287.11737	2.3
301.14804	1.9
321.17319	2.0
329.14218	20.1
347.15271	64.0
348.15530	2.1
353.17038	5.0
365.16348	100.0
366.16684	3.7
370.17007	6.1
383.17447	6.6
388.17957	15.3
389.14548	11.5
400.95367	1.3
410.85632	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	388.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74022	0.9
56.96566	46.9
64.15838	0.9
67.05476	1.7
69.07059	1.1
69.68884	2.2
69.69302	4.9
71.45413	1.1
71.95252	5.2
74.97596	2.5
81.07058	1.9
84.96031	2.2
90.94825	1.4
98.97587	2.0
105.06995	2.3
110.97572	3.4
116.98618	2.9
117.30683	1.1
117.94758	0.9
121.10189	1.0
128.98615	8.6
131.08577	1.2
133.01752	1.3
134.99655	2.2
143.00165	1.7
145.01750	1.2
146.99655	11.1
147.03358	1.3
149.01292	1.7
153.02107	1.2
155.03786	2.0
157.01694	2.7
159.03268	1.9
161.01189	3.0
165.00731	2.4
165.02153	0.9
169.01660	2.3
169.05360	1.5
171.03273	9.0
173.04881	3.2
175.02693	2.1
177.04346	1.1
179.02296	1.1
183.03307	2.9
185.04845	2.7
187.02773	1.5
189.04350	21.7
191.05824	2.7
193.03836	1.7
197.04866	4.6
199.02757	1.2
199.06390	4.1
201.04295	4.0
201.08127	2.1
203.05933	11.8
207.05438	3.7
209.04959	1.8
213.04329	2.1
213.07811	1.3
215.05896	3.3
217.07463	8.7
219.09048	2.1
221.06853	1.7
223.06448	2.8
223.08508	1.1
224.03314	1.4
225.00624	1.1
225.04431	3.2
227.05902	4.2
227.46898	1.1
229.07448	3.1
237.07936	2.5
243.09036	5.6
245.06911	6.2
247.08524	2.0
249.04350	4.7
249.08022	2.9
250.05159	1.8
251.09570	1.7
253.07570	1.5
255.09074	10.4
260.07156	2.2
261.10095	3.4
263.10510	1.2
265.07510	1.4
267.09033	3.8
269.10541	4.2
273.10062	6.0
278.08246	14.3
279.08868	3.5
283.08569	3.8
285.10107	3.3
287.11688	2.3
296.09225	8.9
297.10303	1.7
301.09778	3.8
301.14792	2.2
305.10248	1.1
307.12369	1.3
317.14441	1.3
319.15735	2.8
329.14233	26.5
335.15326	1.8
337.16754	2.2
347.15359	100.0
348.15637	2.8
365.16565	82.0
366.16718	2.5
370.16898	11.1
383.17383	9.3
388.18143	14.1
389.11652	1.2
393.21320	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	388.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
55.41368	1.6
56.96567	54.6
57.43732	1.4
67.05521	2.7
69.07066	5.5
69.49723	1.6
70.06580	2.1
71.95255	4.6
72.96038	2.7
74.97605	1.8
77.42865	1.5
79.05488	3.1
81.03429	2.1
84.96045	1.9
88.07610	2.3
95.08617	4.6
97.34908	1.5
105.07049	2.1
110.97604	2.3
121.71059	1.9
122.90390	1.4
128.98576	4.1
145.65387	1.5
146.99684	5.5
161.01186	2.1
169.01671	2.2
171.03368	3.7
173.01146	2.5
175.02734	2.6
187.02727	3.0
189.04381	6.5
197.08598	1.7
199.06406	16.3
201.04333	2.0
203.05974	5.0
211.06500	4.6
213.07932	9.3
215.05876	4.6
217.07471	33.0
222.07974	2.5
223.06468	3.3
225.07933	2.0
227.06020	3.7
227.09552	6.5
229.07420	9.3
231.09010	12.6
235.06465	2.7
240.09398	2.1
241.07484	6.7
243.09035	3.2
245.07071	2.4
245.10616	14.1
247.08508	3.5
253.07535	3.1
253.11073	5.0
255.09004	4.7
259.08594	5.6
260.47101	1.8
265.07535	3.8
267.08957	4.5
271.08493	2.3
273.09845	1.8
279.08972	3.4
283.08511	14.3
285.10245	2.0
295.15878	2.0
297.10056	10.3
301.09595	6.4
306.10114	2.3
315.11151	2.7
320.11722	3.3
321.13605	2.3
321.17426	4.9
329.14377	2.8
337.16922	2.5
339.18320	2.0
347.15231	33.3
365.16385	100.0
366.16708	3.9
370.16806	2.4
383.17468	24.6
388.17868	18.9
388.32590	2.7
389.18170	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	388.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
56.96568	47.0
63.50908	1.5
67.05501	2.4
67.93398	1.2
69.07049	2.0
69.36136	5.1
69.36565	6.2
71.95254	4.8
74.97599	1.2
79.05495	1.9
81.03407	1.3
81.07054	2.0
83.04998	1.3
83.16414	1.1
93.07042	2.0
95.08595	2.2
97.06528	1.5
98.20737	2.2
98.97597	1.3
103.05473	1.3
105.07062	1.5
110.97604	1.4
123.01179	1.7
128.98636	5.8
133.01729	1.7
137.02768	2.3
141.02173	1.4
145.01794	1.9
146.99646	5.2
147.03313	2.6
155.03763	2.3
159.03279	2.3
161.01176	1.5
165.00821	1.8
167.03711	1.4
169.01773	2.1
171.03323	3.0
177.04333	1.5
183.03139	1.6
185.04849	2.8
187.02820	1.5
189.04309	3.2
197.04836	1.8
199.06367	1.8
202.01474	1.7
203.05896	5.3
211.06496	3.3
213.07974	1.8
217.07486	3.5
219.06993	1.5
220.96582	1.2
221.08655	1.2
224.08028	1.9
225.08055	6.4
229.07475	3.9
235.10075	2.0
237.07913	6.7
239.09492	2.2
241.07407	1.6
243.09082	8.3
251.09502	2.6
253.11148	7.9
255.09027	3.6
257.10648	2.3
263.09540	2.0
267.09103	1.3
269.10159	1.5
271.12088	5.1
275.09497	2.1
291.12595	2.4
293.10822	1.8
319.15820	5.1
329.14227	21.4
347.09052	1.7
347.15292	99.6
348.15625	5.5
365.16367	100.0
366.16785	3.8
370.17038	7.2
383.17303	4.2
388.17856	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	388.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34825	4.8
53.63587	4.2
55.01863	4.7
55.05513	4.8
57.14644	5.8
61.01665	4.5
67.05466	8.1
68.63614	4.8
69.03436	43.4
69.84571	4.3
70.98029	14.1
71.63479	5.0
72.43583	4.9
76.27235	4.7
79.05471	5.2
81.07072	9.4
83.04971	9.0
85.02912	9.6
86.06130	4.8
86.09698	14.6
91.03944	6.5
91.05478	15.1
93.07050	7.0
95.04929	8.2
95.08586	6.6
97.06538	10.5
105.06999	8.3
107.08603	12.7
109.06463	5.7
119.08570	6.0
120.08006	5.9
121.10151	8.1
125.09621	17.7
131.04930	6.1
131.08621	6.9
133.06531	5.3
135.08041	12.0
136.80896	5.2
137.05997	17.6
138.06331	8.8
149.09578	6.9
151.03902	6.6
153.09218	5.2
165.05414	6.7
172.11156	4.9
172.13300	13.7
173.13295	18.0
181.04950	9.7
191.14320	74.9
207.90968	5.4
209.15366	100.0
220.80991	5.0
240.32224	5.6
306.28409	5.9
358.14117	6.0
388.20471	14.6
389.08847	6.5
389.15414	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	388.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70287	0.7
53.03942	0.9
55.01867	0.9
55.05508	2.6
56.96586	0.9
57.07078	1.1
65.03946	1.8
67.05518	4.4
68.71065	0.8
69.03432	3.8
69.07069	2.4
69.65274	5.4
70.06588	5.7
71.04996	1.1
72.08150	1.4
73.39925	0.7
79.05500	5.8
79.44070	0.8
81.03430	1.3
81.07054	5.3
83.04981	0.9
83.08624	1.2
84.04566	0.8
84.08121	1.6
85.02909	5.7
85.06513	1.4
86.09711	2.1
91.05486	12.6
92.05807	1.0
93.07041	5.8
95.04981	3.1
95.08612	4.5
97.02897	1.2
97.06535	2.5
98.21420	1.7
99.04475	2.5
103.05486	2.6
105.07027	15.3
106.04179	0.9
106.07355	1.2
107.04958	3.3
107.08592	11.9
109.02868	0.9
109.06548	1.8
109.10151	2.8
115.05424	1.9
116.06219	0.9
117.07034	6.2
119.08585	15.2
121.10159	12.6
123.08065	2.3
123.11671	1.1
124.08347	1.1
127.03912	1.6
128.06160	1.0
128.26131	0.9
129.07005	4.2
130.07791	2.1
131.04979	1.4
131.08572	19.6
132.05608	0.7
133.06519	1.1
133.10147	6.1
135.08070	4.4
135.11749	1.2
137.05995	5.6
138.06334	2.9
143.08569	8.6
144.09331	3.8
145.04959	1.3
145.10139	13.2
147.04417	0.9
147.11710	7.0
149.05975	2.1
149.09555	1.3
149.13269	6.8
150.06284	1.2
151.03897	1.5
151.07521	1.2
157.10117	1.0
158.10919	10.9
160.08710	0.8
161.05919	1.2
163.03940	1.0
163.07527	0.9
167.07048	2.9
173.13263	21.4
175.07579	1.9
175.14815	8.7
177.05460	3.4
178.05811	2.2
181.04912	1.5
191.14310	100.0
192.14734	4.2
207.13768	1.1
208.04376	1.0
208.14191	1.9
209.08052	1.1
209.15359	2.3
219.10110	1.1
227.16454	2.0
241.09715	1.1
265.09668	1.2
293.09067	1.1
311.09799	0.9
339.09576	1.0
358.13763	1.1
388.14893	1.8
388.23083	3.3
389.13254	1.7
389.33710	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	389.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01862	4.4
56.96557	4.3
57.03437	1.7
60.80381	1.5
61.02911	1.9
65.03929	5.9
67.05515	1.9
69.03419	4.8
69.07071	2.6
70.06583	3.3
71.49371	1.7
72.08151	6.0
79.05492	1.7
81.03401	1.9
81.07079	1.9
84.04478	2.0
84.08137	5.7
85.02908	8.8
85.08469	1.2
86.09700	4.9
87.03329	1.4
91.05492	4.1
93.03406	2.0
95.04965	2.6
97.02888	5.0
98.97576	4.6
103.05470	7.1
105.07008	1.8
107.04952	2.5
107.08595	1.5
109.06535	1.8
111.04427	8.8
115.05428	1.7
116.98636	4.2
117.07021	3.1
117.68102	1.4
119.04975	1.3
119.08519	1.4
120.05669	1.4
121.06505	2.1
123.04384	1.8
125.06019	8.8
129.10234	3.9
131.04919	5.8
134.99715	2.2
137.05988	16.3
140.07010	2.0
141.05421	1.8
145.06468	3.2
147.04436	3.3
148.05177	1.6
149.06006	4.4
151.03908	37.5
151.04956	2.4
153.05502	11.6
159.04411	4.4
161.06044	1.7
162.03105	2.3
163.03912	3.5
163.07558	3.8
165.05420	3.2
167.07027	4.3
167.39908	1.3
168.06523	3.7
173.06009	8.1
175.04059	1.7
176.04692	4.2
177.05511	12.0
179.07083	1.3
179.14084	1.3
186.07507	1.7
191.03445	3.5
191.07018	4.5
193.04807	1.5
195.06461	1.5
204.04182	17.2
204.05870	2.4
205.04968	6.1
206.05714	2.3
207.08194	1.4
209.04463	4.2
217.04901	1.9
219.06516	100.0
219.83246	1.5
222.04962	1.6
231.07214	2.1
235.06061	5.6
237.02843	2.3
237.05336	2.3
237.07561	14.1
247.05988	12.9
249.27415	1.5
265.06946	2.3
269.08194	2.9
272.29172	1.3
281.08099	1.7
287.09061	2.0
293.08511	3.4
295.09787	1.8
301.10681	4.2
313.10675	4.1
323.09430	1.4
325.10757	1.8
339.08350	1.4
341.10229	12.0
351.91150	1.5
353.09924	3.9
366.71555	1.5
371.11313	4.5
385.93903	1.4
389.12436	25.0
389.17770	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1441
Annotation	Dehydrologanin
Peak:m/z	Relative Intensity
59.80250	5.8
67.05505	7.9
69.03403	7.0
71.44595	13.4
74.60443	6.9
75.95197	7.1
79.05495	12.6
81.03400	7.0
91.15969	6.8
95.04979	27.8
107.04963	100.0
109.02852	33.4
121.06488	13.2
133.02835	9.7
138.59096	7.1
139.03868	14.2
149.06042	13.3
151.03870	23.4
165.05489	67.7
167.07069	9.2
177.05527	34.9
177.06827	7.7
195.06490	24.2
209.08133	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	389.1438
Annotation	Syringoxide
Peak:m/z	Relative Intensity
62.15367	7.2
69.03424	8.4
71.49135	14.4
76.02236	10.1
79.05485	24.2
79.58553	6.8
79.63156	6.5
84.54613	7.7
84.56000	7.3
85.02881	15.1
91.05476	13.0
93.07053	9.4
95.04970	34.5
97.02875	10.5
97.76298	7.9
100.65128	7.7
107.04958	100.0
109.02861	28.6
109.06549	7.8
125.02404	7.4
135.04443	12.8
137.05983	8.2
139.03853	14.6
149.06024	11.4
151.03917	16.2
165.05487	63.0
167.07008	17.4
177.05463	25.8
179.04877	13.8
195.06528	18.3
209.08080	14.8
211.13217	17.9
227.09193	10.3
311.10297	13.9
357.10764	13.2
371.14926	18.7
382.55576	10.3
389.12888	14.5
389.17969	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	389.1441
Annotation	Dehydrologanin
Peak:m/z	Relative Intensity
55.59468	4.7
69.20976	43.0
69.21389	9.4
79.05485	12.0
85.02874	8.0
93.07079	9.2
95.04975	19.3
97.02868	4.7
107.04961	100.0
109.02856	22.6
121.06513	12.4
131.42293	4.6
135.04381	8.1
139.03915	10.5
149.06009	12.1
151.03897	14.6
165.05487	70.5
167.06999	7.5
175.25352	4.8
177.05470	16.1
195.06546	12.2
209.08278	10.2
227.09271	5.3
231.55583	4.8
385.50934	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	389.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09312	5.4
52.31833	5.1
53.03943	12.8
55.01889	6.7
55.05508	17.0
56.96566	8.7
57.03445	6.8
61.02920	5.6
67.05499	19.4
69.03411	14.0
69.07054	24.0
69.07384	5.1
71.05013	8.9
71.49384	8.6
73.00784	5.2
79.05506	26.8
81.03417	17.0
81.07060	35.3
83.05006	8.3
83.08586	7.1
85.02895	16.6
85.06538	7.3
91.05486	30.7
93.07052	35.2
95.04974	38.5
95.08595	33.3
97.02908	12.9
97.06531	43.4
103.05447	9.8
105.07024	24.0
107.04951	100.0
107.08603	20.5
109.02900	34.5
109.06551	12.2
109.10166	17.9
119.08597	17.4
121.06513	16.9
121.10143	13.7
123.08099	6.5
125.06049	9.5
127.03931	9.4
129.07016	8.2
131.04951	9.0
133.02838	5.6
133.10141	10.0
135.04401	13.5
135.11734	8.2
137.05899	7.8
137.09650	7.8
139.03931	13.2
143.08629	8.3
145.10112	11.4
146.33055	5.9
149.06013	19.8
151.03882	22.1
161.05896	8.2
163.11267	6.7
165.05496	75.1
165.06799	9.1
165.09052	7.2
166.05855	14.2
167.07059	27.8
169.10178	5.5
173.13271	7.1
177.05482	30.1
181.04985	18.3
187.07538	7.2
195.06543	13.9
209.08101	13.8
220.13968	5.3
227.09105	11.1
245.05128	6.9
275.06451	7.2
303.05978	11.8
304.06174	38.6
371.14468	8.9
389.11484	10.0
389.16544	6.9
389.21097	9.9
389.26688	6.5
403.92923	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1597
Annotation	Simulanol
Peak:m/z	Relative Intensity
52.61720	1.9
53.03939	3.4
55.01874	41.3
55.05507	4.5
57.03439	2.6
65.03940	10.2
65.74020	1.6
67.05509	11.7
69.03427	7.2
69.07076	4.4
70.47192	3.6
70.47588	4.3
71.04999	2.2
72.08157	7.9
74.06094	1.8
79.05501	16.4
81.03419	5.3
81.07063	11.3
82.04221	2.4
83.04978	5.4
83.08626	4.2
85.02905	14.0
85.06521	3.8
86.09703	12.3
91.05489	45.0
93.03389	3.6
93.07044	9.3
95.04980	11.1
95.08613	7.8
97.02891	3.8
97.06547	12.3
99.04449	8.4
103.05478	15.8
105.07030	9.8
107.04961	25.2
107.08597	8.1
109.02910	3.7
109.06557	3.8
109.10158	6.4
110.03647	6.1
111.08128	2.3
115.05443	2.8
117.07036	4.2
117.57311	1.7
119.08575	7.8
121.02789	1.8
121.06512	5.3
121.10135	4.2
122.03671	4.0
123.04442	8.7
123.11708	4.4
124.05215	3.4
125.06005	3.9
127.03968	2.9
128.06212	2.5
129.06995	12.7
131.04927	20.7
131.08578	6.3
133.02892	2.1
133.06480	2.1
133.10146	4.1
135.04408	3.1
135.08047	2.7
135.11755	3.4
137.05984	50.2
138.03111	2.9
138.06346	3.4
141.07021	6.2
142.02603	2.6
145.06496	5.3
145.10190	1.9
147.11714	3.6
149.06000	12.6
151.03937	6.5
151.07529	4.1
153.05493	5.5
157.06493	7.9
158.07309	2.9
159.04395	3.0
159.08072	5.0
160.05226	4.2
161.05965	4.3
163.03799	2.5
163.07542	6.8
164.07071	1.9
165.05508	15.0
167.07034	38.9
167.08427	2.4
171.06548	8.3
172.13292	3.6
173.13341	2.8
174.06697	13.0
175.07582	21.1
177.05464	43.1
177.06929	3.2
177.09177	2.1
178.02689	2.0
181.04956	100.0
181.08371	4.4
182.05408	2.5
183.06520	9.9
186.06773	2.0
187.07555	5.2
189.07326	3.4
189.09111	25.3
191.07001	2.9
191.08549	3.4
195.06615	3.1
201.09148	6.0
203.08670	2.3
205.08598	4.6
209.06119	2.7
209.08101	55.9
209.09982	3.6
209.15424	2.0
210.08409	2.4
217.08536	10.7
218.07289	5.7
219.08087	6.0
219.10123	30.0
221.06050	2.3
221.08034	3.6
221.31223	2.0
227.16483	5.8
231.08156	2.6
233.09669	4.9
234.06752	6.5
235.07533	4.3
235.09703	4.4
239.07111	2.3
247.07668	5.4
249.09070	8.6
251.06606	2.3
251.10759	3.3
261.09229	10.8
262.06372	2.6
263.07056	3.4
264.07678	2.0
265.08615	5.6
269.08121	2.3
277.08588	29.1
278.09186	5.8
279.10172	6.0
281.11514	2.3
289.08652	4.0
291.10123	3.9
293.08337	4.6
293.11624	6.0
307.09647	3.8
309.11203	12.5
311.09430	3.2
311.12808	6.1
317.23920	2.2
321.11285	5.8
322.27390	3.0
323.09122	3.1
339.12311	37.5
341.13901	3.5
346.16602	2.5
353.09991	2.7
353.13919	2.7
353.31879	2.7
359.14828	5.2
371.10580	3.0
371.14902	35.4
371.19159	3.3
371.32773	4.6
377.43533	1.9
389.16000	49.3
389.33716	20.2
390.15790	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.159
Annotation	Simulanol
Peak:m/z	Relative Intensity
53.03938	3.5
55.01871	33.7
56.96553	3.2
60.57835	1.5
61.58585	1.6
65.03921	7.9
67.05488	5.7
69.03413	2.0
69.07059	2.0
77.03924	1.7
78.71121	1.5
79.05492	9.4
81.07033	3.1
82.04183	3.4
85.02895	9.3
87.04989	1.7
91.05476	7.5
93.03407	1.9
93.07037	3.9
94.04184	2.2
95.04974	12.4
95.08589	2.1
97.06522	4.4
103.05469	17.5
105.07027	4.6
106.04111	1.8
107.04953	15.3
108.02080	2.3
109.02869	2.4
109.06523	2.6
110.03632	5.8
111.04442	6.3
115.05460	3.3
117.06979	2.5
121.06502	4.0
122.03632	5.1
123.04426	10.5
124.05202	2.8
125.05999	4.0
128.06194	5.3
129.07001	19.6
131.04930	25.8
131.08540	7.8
133.02864	1.9
133.10104	2.0
134.03690	2.0
135.04344	2.0
135.08025	3.1
137.05972	55.8
138.03130	2.8
139.03877	2.4
140.04633	3.2
141.06976	6.8
142.02568	3.7
145.06464	7.2
147.04395	2.6
149.05984	10.0
151.03882	10.0
151.07567	3.8
153.05449	3.9
157.06491	17.6
158.07196	4.8
159.04410	2.5
159.08009	5.3
160.05191	6.4
161.06017	4.6
163.07504	11.7
165.05466	4.2
167.07047	35.2
169.06549	2.5
171.06561	10.0
173.05930	2.2
174.06783	16.4
175.07530	21.9
176.08107	1.9
177.05481	33.2
177.06937	3.4
177.08966	2.0
181.04951	100.0
182.05348	2.6
183.06561	13.3
185.40372	2.1
186.06735	2.2
186.36154	1.8
187.07513	7.5
188.08305	3.2
189.07159	4.3
189.09077	33.9
190.07780	3.6
191.06961	3.8
191.08630	2.2
195.06590	2.4
201.09091	9.4
202.07777	2.4
203.06908	2.4
203.08615	1.8
205.06511	4.0
205.08478	3.6
206.07321	5.7
207.08224	2.0
209.08090	56.7
217.06459	6.2
217.08585	11.3
218.07292	9.2
219.08031	9.1
219.10104	44.9
221.08044	5.3
227.09575	4.5
231.08142	2.6
232.08780	2.2
233.06036	3.0
233.09668	4.8
234.06693	9.4
235.07605	8.8
235.09651	3.2
236.08145	2.3
245.10603	6.3
246.06772	4.8
247.07541	8.7
248.08386	4.3
249.09119	15.9
250.09814	3.0
251.10631	4.3
261.09097	16.5
262.06296	5.7
262.09659	2.3
263.06897	6.4
263.09659	1.6
265.08627	3.4
266.09198	2.5
275.10907	2.2
276.07739	3.2
277.08582	35.2
278.09195	9.2
279.10114	8.6
281.11835	2.9
283.10721	3.4
289.08517	4.5
290.09241	2.7
291.10068	6.3
293.08243	2.6
293.11658	7.3
294.08798	3.9
295.09918	2.2
306.08905	2.1
307.09772	5.8
308.10181	2.9
309.11188	11.8
310.11789	2.3
311.12732	5.8
321.11334	8.4
321.36609	1.8
325.10690	2.5
329.11069	4.9
339.12305	48.5
340.12805	3.8
341.13797	4.0
353.13733	4.2
357.10312	2.9
359.14902	3.6
371.14911	43.7
372.15311	3.9
389.15988	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	389.1593
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
55.01872	35.7
65.03938	8.6
67.05492	7.1
67.60207	1.1
69.03407	2.9
69.07076	2.7
71.05009	1.2
71.49556	1.6
79.05490	5.1
81.03407	1.4
81.07061	4.8
82.04198	3.8
83.05002	1.4
85.02451	1.1
85.02897	6.7
85.06548	1.8
87.04487	1.4
91.05496	7.4
93.03411	2.5
93.07051	3.6
95.04984	7.2
95.08619	4.6
97.02892	1.2
97.06535	10.1
97.10193	1.2
103.05460	12.9
105.07022	5.7
107.04947	13.0
107.08587	3.0
109.06522	2.7
109.10133	2.9
110.03667	3.4
111.04457	2.5
115.05446	2.5
116.96368	1.1
117.07040	3.8
119.08614	3.1
121.06506	5.2
121.10165	2.1
122.03670	2.5
123.04427	6.3
123.08112	1.0
124.05245	2.2
125.05994	2.7
125.09676	1.3
128.06256	3.8
129.07021	9.1
131.04924	19.8
131.05840	1.3
131.08644	1.4
133.02922	1.3
135.04451	2.6
135.08049	1.4
135.11682	1.7
137.05965	35.8
137.06964	2.1
138.03136	2.9
142.02682	2.8
145.06540	3.9
147.04434	1.7
147.05557	2.3
147.08054	1.6
149.05978	13.7
151.03918	1.8
151.07567	2.3
153.05476	3.4
155.07083	1.4
157.06490	7.9
159.04436	2.2
160.05237	4.0
161.05956	2.8
162.06801	1.5
163.03912	2.2
163.07524	10.2
165.05516	2.8
167.07037	28.6
170.02150	1.1
171.06529	6.9
174.06790	3.5
175.07544	21.2
177.05463	39.3
177.09114	3.3
179.06996	1.7
181.04948	100.0
181.08549	4.4
182.05399	1.9
183.06549	3.3
185.06024	1.4
187.07545	2.6
188.08301	1.7
189.09108	11.5
191.07083	2.7
192.07964	1.4
195.10133	2.4
203.10681	3.6
205.08679	2.7
209.08080	61.1
217.08582	6.5
218.07312	3.3
219.08145	1.4
219.10172	2.7
221.11693	1.8
228.04820	6.6
235.09608	2.7
249.09171	4.6
261.09134	4.4
262.09735	1.5
277.08554	7.9
279.10031	1.9
281.11725	1.5
293.11896	1.5
307.09891	1.5
309.11176	3.7
311.12939	1.7
321.11426	3.2
339.12531	6.6
341.13931	3.3
353.13663	2.0
359.14874	2.7
371.14865	12.8
389.15988	45.7
389.20871	2.7
390.16251	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	389.1595
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
51.02368	1.2
53.03942	1.6
55.01873	38.2
55.05515	2.3
56.65336	1.5
57.03447	1.3
65.03933	10.5
67.05506	11.1
69.03440	2.9
69.07072	3.5
69.69611	1.4
69.98218	6.8
72.04493	1.7
79.05492	7.5
81.03404	2.5
81.07051	6.3
82.04201	4.3
83.04993	1.6
83.08654	2.0
85.02895	10.9
87.91100	1.5
91.05492	6.3
93.03409	2.5
93.07028	4.2
94.04175	3.2
95.04971	8.6
95.08598	5.6
97.02887	2.3
97.06522	11.1
97.10261	1.5
98.21567	1.4
99.08100	1.5
99.19128	1.7
103.05450	19.4
105.04506	1.7
105.07049	5.0
107.04966	14.8
107.08604	3.3
109.06525	2.9
109.10142	3.2
110.03651	3.6
111.04450	3.5
115.05467	2.6
117.03371	1.2
117.07030	3.1
119.04969	1.6
119.08547	1.8
121.06493	4.4
121.10142	3.0
122.03651	4.3
123.04448	7.5
123.08079	1.3
124.05225	2.1
125.05991	3.4
128.06230	3.3
129.06982	11.1
131.04930	26.2
131.08583	2.5
133.06520	2.8
133.10127	1.4
135.04420	2.2
135.08080	1.3
137.04915	2.3
137.05971	44.3
140.04652	1.8
141.06970	1.8
142.02643	3.4
145.06445	7.4
145.10045	1.3
147.08006	1.4
149.05969	13.2
151.03906	3.1
153.05466	3.2
155.07024	1.9
157.06483	9.2
157.10057	1.2
158.07248	1.3
159.04442	2.2
159.08055	1.6
160.05220	3.4
161.05951	2.5
161.13266	1.7
163.03903	1.6
163.07529	9.6
165.05423	2.2
167.07036	28.4
171.06558	7.7
171.07964	1.9
173.06009	1.8
174.06763	6.6
175.07538	15.1
177.05472	37.1
177.09109	1.4
179.08641	1.5
181.04948	100.0
182.05318	2.4
183.06558	4.5
185.06088	3.0
187.07571	4.0
188.08372	2.0
189.09093	14.4
191.06953	3.2
201.09113	2.9
203.08650	1.7
203.14360	1.5
205.08611	2.9
209.08084	67.0
209.17227	1.6
217.06723	2.2
217.08548	10.0
218.07108	2.2
219.08113	2.5
219.10191	10.5
221.07881	1.7
226.18007	1.7
227.18387	3.4
232.08641	1.4
234.06776	4.0
235.07588	2.7
235.09712	4.3
247.07533	3.0
249.09142	6.1
250.10016	1.6
259.09790	1.7
261.09100	6.8
262.06369	1.8
263.06775	2.0
265.08875	1.6
267.10678	1.8
275.10849	1.5
277.08627	11.2
278.09430	2.8
279.10126	1.9
285.10413	1.4
287.04626	1.6
293.08224	1.8
293.11835	2.8
294.67236	1.6
296.82953	1.3
307.09787	2.0
309.11227	5.4
321.11276	3.8
323.96960	1.3
339.12378	15.5
341.13821	3.4
353.13965	1.6
359.14941	4.6
371.14948	16.0
389.15948	48.1
389.20822	3.0
390.16125	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	389.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
54.89346	2.4
55.05512	5.0
55.99574	2.8
56.05023	5.6
56.96568	3.5
57.03432	3.4
57.07074	2.4
59.12037	2.2
60.04519	2.5
65.03940	2.8
67.05499	7.0
69.03436	6.7
69.07063	6.7
70.02995	2.4
70.06575	12.1
71.04998	4.9
71.48959	3.1
72.08154	18.1
72.29675	2.1
73.02941	2.8
79.05492	11.4
81.03422	6.4
81.07048	9.2
82.06604	2.5
83.04977	7.7
83.08643	3.7
84.04506	4.3
84.08157	12.6
85.02910	20.5
85.06539	3.3
86.09705	39.8
87.04477	2.6
91.03979	2.3
91.05480	17.9
93.07027	14.5
95.04973	32.8
95.08601	7.6
97.02872	5.2
97.06528	16.6
98.97559	3.1
99.04453	8.5
103.05446	3.9
105.07039	13.3
107.04968	8.1
107.08573	14.5
109.02862	3.4
109.06529	20.5
109.10160	7.6
110.07163	2.7
111.04436	4.9
115.07577	10.4
119.08556	7.3
120.08100	8.3
121.06506	5.3
121.10149	35.2
123.04450	3.2
123.08054	3.3
125.05972	5.3
125.09605	4.3
127.03905	4.6
129.10255	13.5
131.04936	4.5
131.08539	4.2
133.10129	17.1
135.08084	4.6
135.11702	2.4
137.05972	8.3
139.03908	3.1
141.06718	3.0
145.04988	3.3
145.10184	2.9
147.04385	3.5
147.11720	8.8
149.06050	4.4
149.09636	3.3
151.03934	16.0
151.07494	3.1
151.11168	4.8
153.05513	7.5
153.09125	12.9
161.06001	3.3
163.07533	3.3
163.14825	9.1
165.05499	3.9
167.07025	8.9
167.14354	3.4
173.06105	4.1
173.13251	7.9
177.00693	2.6
177.05489	7.0
179.06943	2.9
191.14322	13.5
193.04959	11.8
204.04233	6.7
204.10184	2.4
209.11595	6.3
209.15334	29.7
210.11371	2.4
215.13896	3.3
219.06567	28.6
219.10042	4.3
224.13844	2.5
225.15947	5.0
227.14330	3.0
227.16310	11.7
237.02994	3.5
237.07596	4.5
245.06961	4.2
247.24739	3.3
284.41119	2.5
300.08929	2.5
371.10620	5.5
389.12500	11.6
389.17767	100.0
390.18283	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.96562	3.0
63.79933	0.3
67.05499	0.9
69.07056	1.0
71.49809	0.6
71.50215	0.4
71.95250	0.4
79.05483	1.2
81.03379	0.5
81.07051	0.7
83.04966	0.6
83.21444	0.3
86.09704	0.9
91.05474	0.6
93.07043	0.8
95.04943	0.7
95.08624	0.7
97.02943	0.3
97.10136	0.3
105.07030	0.5
107.08593	0.5
109.10154	0.6
119.08566	0.6
121.06460	0.6
121.10067	0.3
131.08578	0.6
132.32607	0.3
133.10109	0.5
137.02556	0.3
144.49564	0.3
145.10098	0.6
146.99634	0.5
152.74808	0.4
157.57796	0.4
159.55644	0.3
199.06400	0.5
203.05785	0.5
213.07933	1.1
217.07500	0.8
225.08134	0.4
229.07449	1.9
231.09036	1.8
245.10780	0.4
247.08615	1.5
261.10101	0.4
267.09103	0.5
269.12549	0.8
285.09995	0.6
315.18964	0.4
331.15909	0.4
333.19073	0.4
349.16788	7.1
350.17181	0.4
359.36713	0.4
367.17908	5.2
371.25766	0.6
389.22955	100.0
390.19528	0.6
390.23489	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	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01868	4.1
56.96551	4.5
57.03421	3.7
61.02915	7.9
67.05501	2.3
69.03428	18.8
69.07071	1.6
69.40369	11.2
70.06573	2.1
71.01354	3.0
71.04981	2.0
73.02911	3.1
75.52209	1.5
77.43681	1.5
79.05497	9.2
81.03416	9.1
81.07054	51.1
83.04971	1.7
83.06089	1.5
84.04491	4.6
84.08135	1.5
85.02902	44.7
86.09711	7.3
87.04467	3.8
91.03972	2.3
91.05478	5.3
93.05810	1.6
93.07041	9.1
95.04993	2.2
95.08569	1.6
97.02888	22.3
98.97576	3.2
99.00833	1.9
99.04454	2.5
102.05561	1.8
103.05447	3.0
105.07028	40.2
108.08121	32.8
109.02872	6.2
109.06530	9.6
115.05455	3.4
116.98618	4.9
119.04944	2.4
121.06528	1.4
123.08094	2.2
127.03909	11.6
128.68452	1.5
132.05589	1.4
133.06491	75.9
134.99715	2.4
135.08057	6.4
139.03896	3.8
145.04965	8.9
146.99686	1.4
149.05942	2.0
150.09151	2.4
151.07552	29.8
153.05467	1.8
161.05971	89.8
162.06351	3.4
165.05495	1.7
165.09151	3.2
169.08607	8.4
177.00667	2.1
178.08656	12.2
179.07024	46.3
181.68678	1.4
183.10190	2.2
193.08603	100.0
194.08900	3.0
196.09723	5.0
197.08101	5.2
210.11252	47.0
211.09669	38.8
219.01721	1.9
228.00281	1.5
228.02812	2.2
228.12239	14.1
237.02820	4.7
242.36716	1.3
291.07666	1.7
305.13696	1.3
323.10754	1.7
345.11401	3.0
390.13388	13.8
390.17810	9.7
397.89432	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	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54974	2.1
55.01870	3.0
55.05497	2.4
56.05027	2.6
56.96559	2.9
59.38721	1.8
69.03419	6.5
70.06602	6.9
70.64557	3.5
70.64959	4.4
71.04998	4.7
72.08147	2.7
78.19714	1.9
79.05496	6.0
81.03428	3.0
81.07064	2.9
82.06566	1.9
84.04507	4.4
84.08129	7.2
85.02916	16.1
85.06541	4.8
86.09694	7.3
87.10025	2.4
88.03946	2.7
91.05473	4.3
93.49481	2.1
95.04998	2.7
97.02887	5.6
98.97560	2.9
103.05463	4.3
105.07032	48.0
107.04977	3.7
107.08611	2.2
109.02904	2.1
111.84706	2.0
115.05493	8.7
118.04175	3.8
120.08093	3.3
127.03948	2.2
130.05026	3.7
131.04944	2.9
133.02908	3.5
133.06496	46.9
137.05959	3.9
147.04422	4.5
151.03955	2.4
161.05980	100.0
162.06409	2.5
162.07643	4.1
163.03886	3.9
165.05501	2.6
167.07024	3.1
180.08603	2.8
193.04971	5.6
193.08609	65.5
226.61804	2.5
236.16571	4.5
294.70642	2.0
299.09143	2.2
339.78998	2.4
357.42154	2.1
390.12167	2.8
390.18146	6.4
391.14633	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	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
53.80400	3.0
55.01850	4.7
56.96557	6.1
61.02915	7.1
69.03422	15.6
70.06580	11.2
71.04993	4.2
71.48874	5.7
72.08157	7.4
73.02927	5.1
74.99629	3.1
79.05496	7.0
81.03410	8.6
84.08123	11.1
85.02897	32.2
86.09702	8.5
91.03954	4.7
91.05495	16.0
93.07040	4.0
95.05003	3.2
97.02902	13.1
98.97588	7.8
103.05456	6.9
105.07029	47.0
106.93509	2.9
107.04958	6.9
109.02858	5.3
109.06596	3.5
115.05456	10.2
116.98608	4.1
118.04104	5.2
119.04942	5.5
120.08169	3.4
124.07576	3.6
127.03924	9.2
133.06493	51.3
137.05959	3.0
138.09097	4.0
145.04912	4.7
147.04439	3.5
149.05952	6.2
158.99675	3.7
161.05980	100.0
167.07036	3.9
175.03914	3.2
180.34061	3.2
193.04941	18.3
193.08591	68.6
211.09673	13.1
228.12329	11.5
237.02769	4.8
309.06201	5.5
390.18283	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	390.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75112	0.7
56.96567	27.0
67.05482	1.4
70.06547	0.9
70.06874	3.3
71.95255	2.3
72.96044	1.6
79.05476	1.2
84.96017	1.3
88.07629	1.1
91.05486	0.7
93.07002	0.6
94.65213	0.6
98.20822	0.8
98.97578	1.5
109.10126	0.7
110.94973	0.7
110.97564	1.7
114.09116	0.9
116.98605	1.4
119.08544	0.7
128.98625	4.1
130.06830	0.8
132.10181	2.3
137.02669	1.1
141.02199	0.8
141.27272	0.7
146.99588	4.1
148.00418	1.0
155.03835	1.5
161.01198	1.1
171.03247	1.1
183.03310	1.0
185.04865	2.3
187.02693	0.8
187.06355	1.3
189.04321	2.3
195.07008	1.1
197.04762	1.5
199.06459	3.0
201.04382	1.2
203.05913	3.1
205.07423	1.3
209.04756	1.0
209.08517	0.8
210.01807	0.7
211.06407	3.3
213.04414	1.0
213.07947	4.7
215.02289	1.1
215.05910	1.2
217.07422	6.5
223.02635	1.1
223.06430	1.7
225.08008	3.1
227.05963	0.8
227.09578	3.9
228.03134	1.0
229.07443	2.7
231.09030	6.8
233.10620	1.0
237.07939	1.5
239.09497	1.5
241.07474	2.2
243.09041	3.3
245.10651	6.9
253.11075	0.9
255.09003	2.8
257.07019	1.5
258.07932	0.8
259.08429	1.3
261.10110	1.8
267.12671	1.1
272.09308	1.1
273.10141	2.0
279.12720	0.8
280.09814	1.5
281.10205	0.8
293.10977	0.8
293.14218	1.4
298.95981	0.7
303.16296	1.2
307.15872	2.3
319.15802	0.8
321.17480	1.2
323.19171	1.1
331.15741	13.8
349.16858	88.7
350.17368	1.4
367.17911	100.0
368.18289	2.6
372.18491	5.6
385.18832	6.4
390.19470	13.9
390.35751	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	390.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	65.1
59.06687	1.3
67.88363	1.3
69.38729	1.7
69.98080	6.4
69.98450	3.1
71.87614	1.3
71.95264	6.6
72.96041	2.5
74.97608	1.9
79.05501	1.9
84.55937	1.4
85.54494	1.5
110.97584	4.3
114.23535	1.5
116.98672	1.7
119.64332	1.6
123.01180	2.7
128.98596	5.5
133.01791	1.6
134.99678	2.0
137.02716	4.0
137.15823	1.5
141.02223	1.8
146.99669	6.7
151.00723	1.9
153.02144	1.6
155.03818	5.3
157.01730	3.2
159.03316	2.6
160.00410	1.8
161.72620	1.5
165.00748	1.7
167.03830	1.9
169.01759	4.0
169.05316	2.5
171.03255	9.1
178.58055	1.5
181.05389	1.8
183.03247	2.9
185.04848	10.1
187.02785	2.8
189.04333	12.6
193.05304	2.4
197.04959	2.3
198.56921	1.6
199.06401	12.6
201.04378	1.5
203.05905	11.4
209.04936	2.4
211.06334	7.6
213.07950	11.6
215.06003	2.1
217.05400	2.7
217.07426	18.5
221.06822	2.8
223.06517	3.1
223.10194	2.2
225.07971	8.1
227.09613	3.8
229.07513	4.7
231.06973	2.6
231.08986	14.3
237.04259	1.7
237.08003	4.9
239.09570	7.0
243.08974	8.2
245.10606	9.9
249.07977	7.8
251.09535	10.3
253.07341	2.7
255.09023	36.6
257.10617	4.8
259.12186	2.4
267.09000	49.2
269.10577	79.2
271.12039	1.7
273.10056	30.0
278.10611	2.6
279.09119	3.1
279.12769	1.5
280.09778	1.7
285.10089	91.0
287.11673	41.3
290.10623	4.7
292.12354	7.6
295.12405	1.7
296.11630	2.4
297.10022	1.7
303.11108	10.4
308.11713	4.6
309.13861	2.3
310.13278	3.2
331.15848	15.0
349.16815	47.9
367.17902	100.0
368.18152	2.5
372.18311	4.4
385.18973	14.6
390.19223	6.7
390.23318	33.8
408.58878	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	390.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50438	0.8
56.30386	0.6
56.96568	23.1
57.03406	0.6
60.19406	0.7
70.15792	2.5
71.26176	0.6
71.95252	2.2
74.46291	0.6
74.97624	0.8
79.05493	1.0
79.80913	0.7
98.97585	1.3
110.97565	1.9
115.00699	1.2
116.98610	1.1
122.64814	0.7
128.98613	4.3
137.02693	0.8
141.02246	0.8
143.00180	0.7
146.99620	3.7
147.98993	0.6
155.03833	1.4
159.03300	0.7
161.01208	0.7
165.00731	0.7
167.03822	0.6
169.01752	0.9
169.05382	0.8
171.03316	1.2
173.04819	1.0
181.81812	0.7
185.04816	2.2
187.06339	1.3
189.04356	2.5
197.04890	1.2
199.06412	3.2
203.05888	3.3
205.07481	1.1
211.06313	1.2
213.07936	1.9
215.09566	0.7
217.07474	3.6
223.02742	0.9
223.06500	0.8
223.08519	0.8
225.08031	1.8
227.05881	1.7
229.07637	1.0
231.09117	3.3
237.04343	1.0
239.09608	1.4
241.07420	1.1
243.09021	2.7
245.06943	1.2
251.09576	1.5
253.11136	1.7
255.09119	1.4
257.10626	1.6
259.12250	1.0
261.10004	0.9
269.10529	3.6
271.12222	1.4
280.09784	1.0
287.11673	2.0
297.10016	1.9
303.16238	1.0
307.15775	1.0
331.15790	44.5
332.16229	1.3
349.16858	100.0
350.17303	2.7
367.17935	60.1
368.18323	1.7
372.18497	6.0
385.18945	1.2
390.19443	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	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.6
56.96568	57.2
63.24240	1.2
64.54517	1.3
69.07069	1.5
69.86230	5.1
69.86656	2.8
71.95281	6.8
71.95601	1.3
72.96059	3.1
74.97606	2.1
79.05511	2.1
81.07050	2.2
91.05485	1.9
98.97577	1.4
110.97559	3.0
116.98600	1.8
123.01238	2.2
123.66610	1.3
128.98599	4.1
137.02721	2.6
139.00697	2.1
146.99663	7.1
153.02242	1.7
155.03775	4.0
157.01729	3.3
159.03294	2.6
165.00742	1.4
167.03770	2.7
169.01776	4.0
169.05389	1.7
171.03304	6.0
173.04903	2.5
177.04326	1.9
183.03156	1.9
183.06903	1.9
185.04872	6.6
189.04338	11.6
195.06992	2.3
197.04825	2.4
197.08510	1.7
199.06438	9.7
201.04434	2.0
203.05873	12.0
205.07405	1.6
207.06935	2.6
211.06438	5.3
213.07945	13.3
217.07475	17.6
222.30241	1.6
223.06511	2.2
223.10214	1.5
225.07925	10.5
227.05867	3.0
227.09601	2.8
228.55998	1.3
229.07419	7.3
231.06873	2.5
231.09016	26.2
237.08060	4.3
239.09512	8.8
243.09052	9.2
245.10582	5.6
247.08557	4.0
249.08070	3.8
251.09523	14.0
254.10696	1.7
255.09009	25.2
257.10617	4.2
267.09048	37.8
269.10590	100.0
270.11111	2.3
273.07355	2.2
273.10089	23.4
278.10611	3.1
280.09671	2.4
285.10092	54.4
287.11646	55.4
290.10623	3.1
292.12173	11.6
301.30191	1.3
303.11176	6.4
308.11621	4.8
310.13184	4.7
331.15814	10.9
349.16956	30.7
350.17911	1.5
367.17975	62.3
368.18216	2.2
372.18652	3.3
385.18991	8.9
390.19385	7.0
390.27203	2.0
390.31982	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	390.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82451	0.5
56.96480	35.5
56.96795	6.7
57.07005	1.0
57.56691	0.6
62.20234	0.5
69.07003	0.5
69.83777	0.5
70.06490	3.1
70.83959	0.6
70.84306	1.5
71.08540	2.0
71.08900	0.8
71.95168	5.0
72.95988	1.0
74.97546	1.5
81.06985	1.1
84.95934	1.8
88.07547	0.6
92.98562	1.0
98.97512	1.4
102.09129	0.9
102.17661	0.6
105.00088	0.6
105.06970	0.8
110.97567	2.9
116.98484	1.8
123.01122	1.3
128.98604	6.4
132.10091	1.8
134.99577	1.1
137.02646	2.0
139.00597	0.5
141.02193	1.2
143.00113	0.6
146.11621	1.0
146.99646	8.7
149.01178	0.6
149.59122	0.5
152.00073	0.7
153.02148	0.6
155.03734	3.0
157.01660	0.8
159.03290	0.9
161.01099	2.0
165.00587	1.9
165.02010	0.9
167.03700	1.3
169.01608	1.6
169.05283	0.7
169.31696	0.5
170.01181	1.2
171.03307	5.3
173.04729	1.7
175.02696	1.3
177.04283	1.3
177.05667	0.5
181.05185	0.7
183.03279	4.8
183.06705	0.7
184.00395	0.7
185.01030	0.7
185.04866	5.0
187.02705	1.7
189.04326	6.2
189.07890	1.4
191.05762	1.5
194.04865	0.6
195.03127	0.8
195.06876	0.7
197.04712	2.0
199.02666	0.7
199.06451	5.4
201.04381	2.6
201.07893	1.0
203.05916	7.0
205.05373	0.9
205.07388	1.4
209.04897	1.1
209.06711	1.0
210.01962	0.9
211.06313	1.6
213.04230	1.1
213.07954	5.8
215.05818	1.7
215.09435	0.9
217.07469	9.9
219.08855	0.9
221.06635	1.0
221.08580	0.9
223.02827	0.8
223.06363	1.5
223.08420	1.4
225.07936	2.7
227.05864	1.3
227.09427	1.4
229.07465	4.7
229.96513	0.6
231.09044	11.0
235.06230	1.4
235.08379	0.8
236.03522	0.9
237.04259	0.7
237.07910	2.0
239.09543	3.6
240.08937	0.7
241.07358	1.7
241.11090	1.1
243.08934	2.4
245.06885	1.0
245.10469	1.6
247.08447	2.4
249.04254	2.2
251.09444	2.3
253.07494	1.5
254.10643	1.3
255.08858	1.4
257.10602	2.6
259.12106	1.6
263.05783	2.3
265.07617	0.6
265.11194	1.4
267.09006	1.5
267.12567	1.9
268.09717	0.6
269.10553	6.7
271.08325	0.8
275.09210	0.8
279.09079	1.1
284.29422	1.5
285.10043	0.8
287.11630	3.0
288.10492	0.8
293.10638	1.2
293.14212	0.8
301.14941	0.8
303.16281	1.4
306.11322	2.5
311.11478	1.2
319.15662	1.2
321.17288	2.0
323.18991	0.8
324.12476	1.1
328.32123	4.8
331.15771	15.3
337.16867	1.0
339.18475	2.9
341.16541	0.6
349.16843	78.4
350.17181	2.3
366.19217	0.6
367.17914	100.0
368.18301	2.5
372.18445	9.8
372.27084	0.8
385.18991	12.8
390.19464	14.9
390.35773	16.3
391.19763	0.9
391.24500	1.0
408.20605	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	390.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.1
55.05507	2.4
56.96567	28.1
67.05500	1.2
69.07060	1.4
69.95817	3.3
71.95257	3.0
74.97619	1.4
79.05492	1.5
81.07014	0.8
83.08604	0.9
84.96049	1.5
87.09092	0.9
87.32219	0.9
95.04986	1.0
95.08629	1.3
98.97634	0.9
105.07024	0.9
112.14169	0.8
123.01277	0.9
125.09622	1.2
128.98610	1.3
137.02692	0.9
141.02187	0.8
146.99651	1.9
155.03793	2.1
161.01134	0.9
163.11224	0.8
165.00644	1.1
171.03265	2.4
183.06956	1.0
185.04863	2.5
189.04391	2.0
195.06851	1.8
199.06424	3.1
201.04416	1.7
201.08014	1.7
203.05899	3.5
211.06450	1.7
213.07991	18.0
215.05968	1.4
217.07524	5.7
225.07986	2.5
227.05914	1.0
227.09474	1.1
229.07454	8.9
231.06752	1.9
231.09048	35.7
235.08504	1.5
236.09624	3.3
241.07494	3.5
243.09056	11.6
247.08485	8.5
249.10277	1.1
254.10707	3.2
257.10925	0.9
258.14313	0.8
259.08456	2.5
261.10141	7.6
285.10339	1.0
297.10114	1.0
321.17413	2.9
323.19083	2.9
331.15594	5.4
339.18448	2.9
349.16827	29.9
367.17929	100.0
368.18265	3.4
372.18457	2.1
385.18991	13.8
390.19516	17.2
390.30057	1.7
408.20462	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	390.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.5
55.05508	3.6
56.24754	1.8
56.96310	2.9
56.96565	45.0
57.07058	2.1
60.42381	1.6
69.44429	14.2
71.95263	3.0
83.45261	1.6
86.09663	2.2
88.07645	3.6
89.48270	1.8
95.08572	2.1
98.21479	4.1
116.98549	1.7
119.08566	2.8
124.07487	1.8
124.45983	1.8
128.98647	2.9
146.99684	3.0
155.03722	3.1
171.03250	3.2
173.04863	4.2
185.04817	3.6
189.04359	5.7
195.06665	2.2
199.06448	5.4
201.04465	4.1
201.08041	3.1
201.68483	1.7
203.05850	8.3
207.03273	2.3
207.05147	2.3
209.04868	2.4
211.06490	3.7
213.07991	8.0
215.09604	1.9
217.07509	8.7
219.09029	2.8
221.06943	2.3
225.07932	10.5
227.05872	5.5
229.07431	24.2
231.09033	12.0
241.07463	8.1
243.08961	19.1
245.07056	3.8
247.08478	22.1
252.08968	3.3
256.26273	10.9
259.08481	5.8
261.10117	12.0
265.10907	2.1
266.10959	2.5
269.06992	13.7
287.08078	14.2
289.23654	2.1
298.30829	2.6
331.15863	16.5
349.12466	3.2
349.16840	85.9
367.17920	100.0
372.18576	10.2
385.19077	10.3
390.19589	19.1
390.23831	4.1
390.35828	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	391.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69478	18.8
58.90063	19.5
64.63327	19.4
67.05509	22.7
71.10168	49.8
79.05489	48.4
81.07020	49.8
85.02914	30.1
86.09716	24.8
91.05479	28.1
95.04972	36.7
96.59949	20.8
97.02947	31.9
97.63732	21.9
105.07029	45.5
106.88451	23.1
109.06554	35.4
109.59706	25.4
111.08117	48.5
127.03930	35.7
133.06479	20.5
141.05470	48.1
151.03862	30.9
151.07503	38.9
165.05495	24.6
166.03253	23.7
167.07071	57.8
179.07037	100.0
190.99985	22.5
193.08638	29.9
197.08095	25.1
211.09563	57.7
303.86765	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	391.16
Annotation	Ajugoside
Peak:m/z	Relative Intensity
55.01880	7.1
55.05512	5.6
55.08044	3.8
56.05029	4.0
56.96556	6.4
57.03433	17.1
57.07088	5.4
61.02901	4.2
65.03953	4.0
67.05521	17.6
69.03434	29.3
69.07069	4.4
70.06593	36.3
71.01348	12.5
71.04979	11.6
71.08630	8.1
71.49212	5.0
72.08163	9.1
73.02906	5.0
75.04465	9.3
76.06546	3.5
79.05491	27.4
81.03432	6.0
81.07064	62.3
83.01325	5.8
83.04978	7.7
84.04522	7.8
84.08129	27.3
85.02908	73.5
85.06547	100.0
86.09718	22.0
87.04459	14.7
91.05492	13.3
93.07036	6.1
94.06558	4.8
95.04954	11.2
95.08603	6.5
97.02892	44.1
97.06519	5.1
98.97586	6.5
99.00813	12.5
99.04463	20.0
103.03966	8.7
103.05482	7.4
105.06996	10.4
107.04964	8.4
107.08604	6.8
109.02892	5.3
109.06525	54.2
111.04433	16.4
113.02380	11.5
115.08676	5.8
116.07105	19.7
116.98610	9.5
117.05529	4.4
119.04942	5.5
119.08545	6.1
120.08124	37.4
121.02869	5.6
121.06509	8.7
123.04426	7.8
124.07594	5.3
125.06007	4.1
127.03905	28.9
127.07559	59.4
128.06218	3.5
129.10245	14.3
130.06540	7.1
131.03447	8.8
131.04932	5.2
132.08041	5.7
133.02887	4.1
133.04956	5.3
133.06506	4.4
133.10101	5.9
134.99655	3.8
137.05983	66.2
138.09081	9.0
139.03923	6.5
141.01895	4.3
145.04985	9.0
147.04353	6.8
149.02345	63.4
149.06004	19.3
149.09650	4.9
150.05791	5.1
151.03920	6.9
151.07510	10.6
153.05450	8.4
153.06966	6.0
157.05026	4.0
159.09195	10.0
161.05969	15.1
165.05417	4.4
165.09119	9.2
166.09688	5.2
167.03366	7.6
167.07056	5.4
169.05013	6.9
173.04530	6.5
173.05972	6.1
173.09259	13.5
177.00705	7.8
179.07019	12.3
181.04961	4.1
181.06369	3.9
183.10132	8.7
187.06157	5.7
191.07069	5.0
193.04985	11.6
193.08583	9.4
194.08960	5.1
195.06540	3.9
197.04405	11.0
207.06502	5.6
211.09572	3.7
212.10039	6.1
215.03259	7.5
215.05490	8.7
226.11974	4.1
229.07124	12.3
237.02884	10.9
247.08186	22.5
253.08594	7.2
258.16058	8.7
273.11230	13.7
283.08911	3.9
294.14136	4.6
299.09323	6.0
329.10123	6.8
373.13565	5.0
391.15466	32.9
391.23605	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
56.96558	1.0
57.07064	0.9
63.90899	0.5
67.05511	0.5
71.08621	1.3
75.09682	0.5
79.05490	0.9
91.05461	0.7
93.07043	1.0
93.85886	0.5
95.05016	0.5
95.08588	0.9
105.07029	1.3
107.08555	0.7
109.10196	0.7
119.08589	1.3
121.10117	0.6
126.23972	0.5
143.08611	0.5
149.02324	5.3
155.76613	0.5
167.03473	0.6
171.11694	0.5
177.06380	0.5
295.23706	0.6
331.15833	1.2
349.16763	2.0
368.18478	0.6
369.19528	1.0
391.24539	100.0
392.24713	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05585	0.3
56.96565	3.5
64.80894	0.3
67.05492	0.5
69.07047	0.6
70.25179	1.0
71.08612	0.6
79.05477	0.4
81.07040	0.7
93.07061	0.5
95.08601	0.6
105.07044	0.5
107.08535	0.4
109.10149	0.4
109.87280	0.4
112.33457	0.4
119.08603	0.6
121.10158	0.5
128.98560	0.6
133.10123	0.5
149.02345	2.3
171.03322	0.5
183.03212	0.4
189.04416	0.7
200.06903	0.4
203.05869	0.6
217.07474	0.7
226.66165	0.3
229.14442	0.4
231.08975	0.6
234.32944	0.4
243.08984	0.4
285.10004	0.4
332.16132	1.3
349.16919	1.2
350.17245	5.9
351.18130	0.8
367.17889	1.0
368.18192	9.4
369.19388	2.2
373.18896	0.9
386.19388	1.0
391.24530	100.0
392.20502	0.5
392.24817	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	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.0
56.96562	3.4
57.07067	10.5
59.05017	5.1
67.05504	25.6
69.03429	5.1
69.07072	15.0
69.68229	14.4
69.68642	7.7
71.08622	7.9
79.05485	25.1
81.07053	38.3
83.04977	9.2
85.06535	4.2
86.09692	3.3
91.05467	30.0
93.07050	39.6
93.07595	4.9
95.04961	37.0
95.08612	22.4
97.06527	6.1
101.87292	3.3
103.05367	3.2
105.07026	54.5
106.37228	3.2
107.08585	23.3
108.15474	3.5
109.06511	10.2
109.10149	13.0
112.60150	3.4
117.06999	13.6
119.08565	42.5
121.06464	8.9
121.10143	22.0
123.08094	5.9
123.11703	4.7
128.06218	12.7
129.07002	9.2
130.07773	5.4
131.08543	24.8
133.10115	17.2
135.08087	7.4
141.07010	6.9
142.07806	19.5
143.08543	26.3
145.06471	3.7
145.10130	43.0
146.07201	4.8
147.08003	5.8
147.11710	8.4
149.02338	50.1
149.09625	5.2
153.06895	6.5
154.07790	4.1
155.08572	12.6
156.09351	7.7
157.10106	29.2
159.08066	4.7
159.11664	18.8
161.09636	3.6
165.06920	5.4
166.07761	3.5
167.03392	5.7
167.08563	10.7
168.09392	5.1
169.10091	16.2
171.11676	16.0
172.95302	3.8
173.09613	5.7
173.13263	9.7
179.08578	8.1
180.09354	4.6
181.10165	12.6
182.10851	4.8
183.11714	20.2
184.12523	3.7
185.09644	3.7
185.13266	7.8
187.11189	4.4
191.14259	6.8
192.09341	4.3
193.10110	11.2
194.10799	7.0
195.11682	16.5
196.12531	5.7
197.13211	8.7
199.11263	9.3
199.14790	6.6
205.10069	4.5
206.10782	5.8
207.11691	14.1
209.13283	11.9
211.14749	5.1
213.12704	4.0
217.15919	3.2
219.11736	9.1
220.12468	5.6
221.13268	11.3
222.13907	6.0
223.14896	8.6
225.12923	3.7
225.16473	3.6
227.14285	4.3
231.11574	4.9
232.12361	3.8
233.13243	7.3
233.15369	4.8
234.14098	4.0
235.14853	9.4
236.15504	3.3
243.11635	3.4
246.14145	4.1
247.14908	4.1
249.16354	8.7
251.14310	4.8
260.15729	3.9
263.17822	7.6
265.19547	3.8
267.17587	4.4
275.17883	6.7
277.15552	3.9
277.19461	5.1
282.19662	5.0
291.17401	3.7
297.18564	7.5
299.17859	4.3
317.18860	4.4
329.32657	6.7
335.20078	3.9
351.18204	4.6
369.19562	9.2
373.25266	15.0
391.25681	100.0
391.35837	14.2
392.25644	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	392.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
56.05037	2.2
56.96564	3.3
57.03440	13.4
58.25924	1.5
58.99582	6.2
60.04527	1.7
67.05491	1.7
69.03435	3.3
69.62895	4.4
69.63321	5.4
71.04981	2.4
76.02230	44.9
76.02649	3.1
79.05501	2.3
81.07073	3.1
82.22353	1.4
83.05003	1.4
83.06109	4.4
84.04507	24.6
84.08130	6.4
85.02895	6.7
85.06546	19.2
86.09701	4.2
86.99054	2.5
95.05016	2.0
97.02907	2.3
98.21547	1.5
98.97606	4.9
99.02681	4.5
101.09251	1.5
107.04926	1.4
109.07525	1.5
113.04253	2.4
116.01678	12.8
116.98640	4.5
117.03716	100.0
121.45559	1.4
124.07579	1.8
125.04205	2.5
127.03935	1.7
129.06580	3.3
130.04985	12.7
130.06541	1.6
134.99667	3.9
142.06865	5.2
143.05247	3.7
144.01212	8.3
147.04448	1.7
149.02353	6.8
150.02702	3.1
153.05455	32.8
153.06633	3.2
158.99683	2.2
160.07893	18.8
162.02196	27.7
170.43652	1.5
177.00676	4.0
179.04826	17.8
184.27916	1.5
187.05284	2.6
195.06531	15.4
197.09550	1.7
208.70576	1.5
212.12839	2.8
213.07608	1.8
213.11189	4.8
219.01715	2.0
222.84602	1.6
228.06752	1.8
230.13905	6.2
233.05928	2.2
245.09554	76.4
246.07985	5.1
261.10736	1.9
263.10699	5.7
317.11642	10.9
392.14520	3.2
393.09833	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	392.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41233	0.5
55.01865	1.2
56.05027	0.6
61.02903	0.7
69.03426	1.5
70.06591	3.3
71.48880	0.9
72.08163	0.7
79.05494	0.8
81.03429	1.0
84.08146	1.3
85.02901	5.0
86.09703	2.7
86.27872	0.6
91.05477	1.2
97.02908	1.0
98.97583	1.2
105.07021	0.8
107.04983	1.3
107.08582	0.8
127.03927	1.3
129.07022	1.0
129.10164	0.7
138.03062	1.6
153.05470	100.0
154.05771	1.1
167.07025	2.7
168.94194	0.6
185.38174	0.6
194.93350	0.6
195.06531	45.0
196.06866	0.9
213.07578	14.6
213.09587	1.1
217.08568	1.0
254.27010	0.6
338.31577	0.7
392.18610	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	392.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01859	1.0
56.96552	0.6
60.29854	0.5
61.02932	1.1
69.03405	1.4
69.90098	2.0
70.06578	1.8
76.45321	0.5
78.14484	0.5
79.05480	1.1
79.08586	0.5
81.03403	1.1
81.07077	0.6
84.04476	0.5
85.02905	6.3
94.25719	0.5
97.02879	1.9
98.97597	2.7
99.04420	0.6
100.33997	0.5
116.98609	1.6
120.08149	0.5
127.03867	1.1
129.61298	0.5
134.99640	0.7
138.03122	4.7
145.04967	1.6
149.02425	0.7
150.05350	0.5
153.05464	100.0
154.05792	1.8
158.99709	1.3
163.03893	1.1
167.07068	2.4
177.00751	1.1
181.22311	0.5
195.06526	52.2
196.06932	1.0
213.07590	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	392.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98405	0.5
56.96570	0.5
57.03416	0.6
59.52402	0.5
59.80465	0.5
61.02911	0.7
61.22965	0.5
69.03442	0.9
71.40411	0.7
79.05495	0.8
81.03403	0.8
83.93537	0.4
85.02905	3.2
86.09726	0.6
97.02881	0.9
98.97620	2.2
107.04926	0.7
110.03612	0.6
111.06155	0.4
116.98616	1.6
127.03896	0.5
138.03116	3.8
152.04610	0.5
153.05472	100.0
154.05821	1.4
167.07085	3.8
177.00737	0.8
195.06537	45.4
213.07640	6.3
223.66151	0.5
231.05304	0.5
250.93108	0.4
259.51022	0.5
309.36078	0.5
312.67926	0.4
373.25751	0.5
393.07886	0.6
403.16782	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	392.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96460	16.1
56.96779	4.7
59.65944	0.5
69.85742	2.7
69.86141	1.2
71.95174	1.2
72.95955	1.0
73.85932	0.6
74.97542	0.7
85.08525	0.5
87.68354	0.5
110.97475	0.7
115.00605	1.2
116.98506	0.6
118.00227	0.5
123.01084	0.8
128.98518	1.3
133.01585	1.6
137.02625	0.7
141.02129	0.9
146.99556	1.4
155.03651	1.2
159.03239	1.2
165.82277	0.5
167.03725	0.5
171.03128	1.5
173.04767	0.7
175.02678	0.8
175.06239	0.8
183.03145	0.7
185.04745	1.7
187.06291	1.9
189.04164	1.1
189.07932	1.2
195.06866	0.9
197.04732	0.9
199.06416	2.8
201.07823	1.6
203.05771	1.6
203.09407	1.5
205.07378	0.6
207.08852	1.3
211.06320	0.8
213.07982	2.7
215.09438	1.4
217.05595	0.7
217.07445	5.9
219.08914	0.8
221.10515	0.8
225.07861	1.6
225.11441	0.7
227.09448	2.6
229.07372	0.7
231.09000	3.3
237.04272	0.7
237.07904	1.1
239.09494	1.0
241.10999	0.7
243.08932	1.8
243.12639	0.9
245.10387	1.5
253.11098	1.2
255.08948	1.8
257.10532	1.6
269.10339	1.3
269.14432	0.6
271.11856	1.6
273.10138	0.8
277.11414	0.6
281.10306	0.8
285.10028	0.7
287.11572	1.5
295.12128	1.3
305.17725	0.9
333.17322	20.5
351.18405	95.5
352.18729	3.4
369.19476	100.0
370.19946	3.9
374.19983	7.1
387.20575	2.5
392.20886	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	392.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	41.8
62.92895	0.9
67.05515	1.1
69.07099	1.6
69.87039	3.7
69.87450	1.9
71.95267	2.6
72.96038	1.6
74.97593	1.3
79.05490	1.3
95.08586	1.4
110.97593	1.5
123.01215	1.8
128.98647	3.0
131.08507	1.1
133.01752	1.4
137.02744	2.3
141.02301	1.4
146.99672	4.7
149.02386	2.1
149.71786	0.8
155.03752	3.2
155.84424	0.8
157.01683	0.9
159.03293	2.1
161.04871	1.4
162.23460	0.9
165.00710	1.4
167.00529	0.8
167.03844	1.7
169.01730	2.3
171.03235	4.3
173.04961	1.2
183.03139	1.3
183.06979	0.9
185.04865	5.4
187.02808	2.2
187.06390	1.6
189.04362	4.8
195.06880	1.4
197.04860	1.0
197.08479	1.0
199.06403	6.7
201.04544	1.2
203.05902	7.5
211.06467	5.7
213.07983	6.7
214.08183	0.9
215.09456	1.3
217.07460	14.2
221.08568	1.4
223.06432	0.9
223.10194	1.2
225.08038	5.6
227.09601	2.7
229.07477	6.6
231.06964	1.2
231.09039	13.0
233.06943	1.3
235.06393	1.1
237.08023	3.8
239.09602	3.5
241.11055	2.6
243.09023	5.6
245.10626	3.5
247.08601	6.0
249.08040	3.3
251.09436	4.7
252.09180	1.0
253.11064	1.4
255.09039	21.7
255.11688	1.6
257.10666	2.3
259.12204	2.9
261.10114	1.2
267.09033	18.7
269.10583	35.1
273.10123	18.9
278.10599	2.5
281.10861	1.2
285.10089	33.5
286.10266	1.0
287.11642	17.6
292.12292	4.5
303.11179	4.7
308.11685	3.7
309.17184	1.9
315.15918	1.4
333.17316	11.2
351.18375	48.3
352.18890	2.7
369.19498	100.0
370.19742	3.4
374.20016	4.6
387.20563	9.5
392.20914	10.6
392.24881	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	392.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
56.96566	51.1
57.07070	1.6
59.73604	1.1
67.05499	1.2
70.06604	1.1
71.49983	1.4
71.95275	5.9
72.22383	1.1
72.96018	2.3
76.13926	0.9
80.06977	1.0
81.07037	1.9
84.96023	1.2
97.96867	1.0
109.19831	1.1
128.98587	2.1
137.02756	1.4
146.99638	2.0
148.48355	1.0
149.02382	2.3
155.03830	1.8
157.23904	1.0
167.03870	1.4
169.05447	1.2
171.03235	2.5
173.04971	2.0
181.05392	2.8
183.03348	2.1
185.01331	1.0
185.04840	2.7
187.06427	1.3
189.04303	2.8
191.05923	2.8
195.06924	2.0
199.06433	13.4
201.04355	1.7
201.07977	5.0
203.05846	6.2
203.09557	1.6
211.06445	6.5
213.07982	21.8
215.09596	1.4
217.07489	22.6
219.09065	4.6
225.08031	3.4
227.09480	1.4
229.07478	73.0
231.09050	41.8
232.09486	1.9
236.09621	2.1
238.18005	1.5
239.09460	1.3
240.09074	1.7
243.09009	11.1
245.10587	3.2
247.08530	71.6
248.08998	2.0
249.07967	1.4
251.09590	2.3
252.09076	8.9
254.10640	2.2
255.09018	3.9
257.10364	1.2
261.10062	10.0
267.09015	4.4
269.10635	17.8
270.10083	4.5
273.10046	4.5
285.10092	8.5
287.11627	7.5
292.12085	2.0
303.11252	1.5
323.18790	2.1
330.32669	1.6
333.17334	10.2
351.18414	43.0
352.18713	2.0
369.19492	100.0
370.19797	4.0
374.19901	2.8
387.20618	11.0
392.21005	11.9
392.25159	1.9
392.36121	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	392.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33963	0.4
56.96404	6.5
56.96720	7.2
60.86093	0.3
63.90089	0.4
71.02301	0.9
71.95081	1.0
71.95510	0.8
72.95904	0.4
74.97466	0.6
91.05318	0.4
97.96650	0.7
98.97405	0.8
105.06859	0.7
107.08410	0.5
107.70812	0.4
110.97357	1.1
114.69998	0.4
116.98399	1.1
116.99178	0.5
117.06916	0.4
123.01027	0.4
125.49603	0.3
128.98364	1.8
128.99278	0.8
129.99278	0.6
131.08398	0.4
134.99464	0.4
137.02531	0.7
145.09911	0.6
146.99382	1.8
147.00589	0.7
148.00182	0.4
149.02130	0.5
153.02048	0.4
155.03610	0.5
157.01563	0.5
161.00977	0.5
169.05165	0.8
171.03055	1.7
173.04559	0.4
183.03171	0.6
184.03894	0.4
185.04623	1.7
189.04123	1.9
195.06807	0.8
197.01094	0.5
197.04697	1.0
197.08371	0.5
199.02620	0.4
199.06429	1.8
201.04149	0.8
203.05862	2.0
209.08405	0.8
210.01926	0.7
211.06248	0.8
213.07980	5.1
215.09378	0.7
217.07489	3.4
223.02675	0.8
225.08061	1.8
226.07793	0.5
227.05865	0.6
227.09540	4.7
228.02916	0.8
229.07346	1.2
231.09026	6.8
237.09871	0.5
239.09349	1.0
241.07378	0.9
241.10904	1.3
243.09010	2.4
244.05948	0.4
245.10643	5.6
246.11020	0.4
247.08420	0.9
255.12589	0.4
257.06793	1.7
258.07599	1.5
259.08383	0.7
259.12094	0.9
261.10043	1.1
267.12589	0.8
269.13995	1.1
271.08380	0.5
271.12436	0.6
276.08725	1.4
277.11002	0.7
290.06839	0.6
295.12030	4.0
295.15692	1.0
299.11569	0.4
305.17834	0.8
309.13986	0.6
309.17200	1.8
311.21619	0.4
313.13287	2.7
313.16422	0.6
321.17224	0.7
323.18790	0.8
325.20462	0.5
327.18259	0.7
333.13425	0.3
333.17285	9.3
334.17731	0.8
351.18405	55.3
352.18686	2.4
369.19485	100.0
370.19791	4.6
374.20035	4.4
386.11945	0.4
387.20538	11.1
388.20813	0.6
392.20953	12.0
393.21512	1.0
393.26309	2.0
410.22220	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	392.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.5
56.96558	0.9
57.07063	0.7
67.05491	2.6
69.07072	1.4
69.36447	4.8
77.00893	2.1
79.05488	1.3
81.03421	1.1
81.07053	1.2
83.08640	0.8
91.05518	1.2
93.07034	1.1
95.01937	2.7
95.04958	1.2
95.08620	1.6
97.06528	1.4
98.21550	1.1
105.06970	1.3
107.08622	1.0
109.06474	0.6
109.10159	1.2
116.56421	0.6
121.10080	0.9
133.10225	0.7
149.02405	0.8
150.02728	0.7
157.03494	0.6
158.99207	0.7
159.04973	0.7
165.12720	0.7
169.06999	0.7
171.04948	0.7
173.06607	0.9
179.05595	0.6
185.06612	1.2
187.08121	1.2
191.07642	1.3
195.08661	0.7
199.08192	1.5
201.09720	5.4
203.11243	1.4
205.09253	1.6
207.08728	0.9
209.45740	0.6
211.08228	0.9
213.09700	5.0
215.11270	0.9
219.10681	3.2
221.10220	0.9
225.09744	2.9
227.11269	1.4
229.09262	1.3
231.10809	10.3
231.14334	0.9
233.06807	0.9
233.10556	0.8
237.09766	1.5
239.11256	4.4
241.12897	1.6
243.10782	6.7
245.12044	0.8
255.10773	1.4
257.12366	4.8
258.12701	0.7
266.12350	0.8
269.15961	1.0
315.18045	3.1
325.22388	1.1
333.19080	26.2
343.19833	0.6
351.20163	100.0
352.20398	5.0
356.20801	1.9
369.21289	10.8
370.21579	0.7
374.17419	1.1
374.21844	10.9
375.21878	0.7
392.23071	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	393.07
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	66.5
57.03414	2.6
61.02917	3.6
66.94160	1.1
69.03420	4.0
69.90956	1.4
70.35229	4.7
71.95259	2.7
73.02911	4.4
74.97604	3.0
81.03401	2.0
82.31999	1.3
84.08140	1.3
84.96010	2.8
85.02914	7.2
86.97629	2.0
89.26327	1.3
91.03959	1.6
97.02878	6.0
98.97588	25.2
110.97560	7.4
112.95504	1.7
116.98618	14.0
119.01882	4.9
121.01649	1.4
127.03956	2.6
128.98607	10.8
130.96535	3.3
131.00238	1.8
131.01881	1.8
133.01674	1.9
134.99673	6.7
141.02219	4.6
143.00137	2.4
145.03452	2.1
146.99646	10.8
148.97577	4.3
149.04765	1.3
151.00671	3.3
153.05496	2.1
154.05772	2.5
157.01672	3.0
157.03584	1.5
158.99663	5.9
159.03275	13.1
161.01154	1.9
161.03033	1.9
165.00725	1.8
166.98654	3.0
167.00146	2.7
169.01706	9.2
170.99680	4.7
173.01286	1.7
173.02937	1.9
175.02803	16.2
177.00772	6.6
177.04335	5.0
183.51424	1.4
185.01294	10.0
187.02786	39.8
189.00668	9.5
191.03943	2.7
193.03835	9.8
194.99757	1.9
196.06937	1.4
200.04399	4.2
201.00800	1.2
201.04408	7.0
201.05891	1.4
203.02251	18.1
205.03847	32.1
207.01648	2.2
209.04938	2.3
211.02695	1.6
213.00725	24.7
213.03300	4.9
217.03825	7.0
219.01678	2.7
221.03271	11.0
221.05153	3.3
222.03886	1.7
223.01297	1.6
223.04872	6.2
229.03888	2.8
231.01756	85.6
235.04893	2.4
237.02858	10.5
247.04793	9.2
248.99059	3.7
249.02829	100.0
250.03108	2.8
254.03328	3.1
255.01709	2.9
255.03937	8.9
264.05045	2.6
265.05862	2.2
267.00143	3.1
267.03873	4.3
272.04196	1.8
273.02805	88.2
274.02991	1.4
277.05728	1.6
281.07040	4.5
285.02728	5.8
285.05521	2.0
291.00327	3.6
291.03833	40.8
294.05942	10.9
294.56207	1.9
303.03833	25.0
303.06802	1.2
314.05432	2.0
319.06894	2.1
321.04977	4.6
333.04938	3.7
375.05823	2.5
390.74149	1.4
393.06564	14.5
393.11148	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	393.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97789	1.2
56.96567	61.2
57.03450	1.4
61.02931	2.9
69.03439	3.1
70.26276	5.4
72.08131	1.4
73.02908	2.9
74.97594	2.6
81.03393	2.5
84.04533	1.7
84.96021	2.4
85.02917	8.5
86.09711	1.5
97.02901	4.4
97.53223	1.1
98.97581	20.0
102.62078	1.0
104.37667	1.2
105.81481	1.2
110.97595	3.3
112.95535	1.1
112.99136	1.8
116.98624	13.3
117.03786	1.7
119.01927	3.0
127.03923	2.5
128.98611	9.9
130.96539	2.1
131.00214	1.2
131.01935	1.2
132.02870	1.1
133.01752	2.4
134.99669	6.2
141.02232	5.3
143.00200	1.8
143.01891	1.5
146.99658	6.4
148.97569	4.9
151.00671	1.9
151.02705	1.7
151.03888	1.4
153.05499	4.6
154.05795	4.0
157.01689	3.0
158.99657	3.0
159.03278	11.8
161.01286	2.8
161.02957	3.0
165.00714	2.4
166.98688	2.7
167.00113	2.6
169.01683	6.7
170.99710	3.3
173.01414	1.3
173.03001	3.2
175.02783	15.6
177.00729	5.0
177.04329	3.1
183.03345	1.4
185.01207	10.7
187.02798	29.8
189.00735	7.1
191.03905	2.7
193.03844	10.4
195.06638	2.5
200.04462	4.2
201.04355	4.7
203.02283	18.3
203.04097	1.5
204.02760	1.3
205.00340	1.8
205.03842	30.7
207.01778	2.9
209.04993	2.7
213.00681	19.9
213.02956	1.6
213.03525	1.5
217.03841	9.2
219.01787	3.3
221.03349	10.6
221.05000	2.2
222.03963	1.5
223.04951	5.3
229.03685	2.1
231.01764	75.1
232.02098	1.8
235.04903	1.4
237.02809	9.2
247.04831	7.4
248.99136	2.9
249.02837	100.0
254.03326	2.1
255.01680	2.0
255.03975	6.9
267.00250	2.4
267.03909	3.6
272.06705	1.6
272.57233	1.2
273.02814	88.4
274.03152	1.6
281.07043	4.2
285.02811	5.8
291.00644	2.1
291.03857	41.5
294.05957	6.1
303.03873	26.3
314.05487	2.5
319.07162	2.4
321.05066	4.0
333.04996	4.8
351.11148	1.4
393.06454	15.1
393.11020	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	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63744	0.5
55.05492	0.7
56.05013	0.6
56.38371	0.5
56.96558	0.6
60.80798	0.5
61.01173	0.5
67.05505	0.5
68.05017	1.7
70.06577	1.3
70.78751	1.1
70.79072	0.5
71.04983	0.7
72.08135	1.3
74.06821	0.5
79.05487	0.8
81.03386	1.0
81.07039	1.3
84.04474	0.6
84.08154	1.4
85.02879	1.0
86.09713	1.1
91.05458	1.1
93.07030	1.1
94.04061	0.5
95.04970	0.8
97.02911	0.5
102.64737	0.5
105.07029	1.5
107.04969	1.0
107.08581	0.5
119.08590	0.8
120.08137	0.9
124.04985	0.5
124.07606	0.6
129.06990	0.6
133.10147	1.5
135.04376	0.6
137.05930	0.6
140.03445	0.8
145.10123	0.6
147.04445	0.9
149.04665	0.9
149.06017	0.6
151.03828	0.5
161.05997	0.7
161.25186	0.4
165.05452	0.8
166.07292	0.7
172.06049	1.3
201.06450	1.8
202.07271	1.9
203.08057	1.5
204.08815	7.3
204.10542	0.9
214.07373	0.6
215.07996	1.6
216.08809	100.0
217.09514	3.8
218.10355	5.6
225.06447	10.3
226.07195	3.6
227.08075	0.7
228.08820	0.9
229.09702	0.8
230.10382	9.3
240.08800	55.8
241.09450	2.0
246.09842	6.8
258.09845	2.5
268.08228	4.6
272.11414	3.4
283.09402	1.1
300.10916	55.6
301.11124	1.2
301.14426	1.0
311.08951	1.0
315.11899	0.9
333.13211	2.8
342.37964	0.5
343.11560	2.3
350.37695	0.5
360.71631	0.5
361.12598	5.3
363.17960	0.5
375.14130	5.1
375.17935	0.8
393.15146	26.8
393.19135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93031	1.0
55.01839	1.5
55.05511	6.5
57.03423	4.3
57.06812	2.0
57.07077	34.8
62.03530	0.9
67.05512	12.9
69.07072	10.0
71.08258	1.5
71.08631	22.9
71.50259	1.4
79.05469	2.6
81.06600	1.6
81.07056	19.1
83.04961	1.6
83.08621	12.9
85.10176	11.9
91.05495	2.8
93.07030	3.6
95.04973	1.3
95.08610	26.3
97.10162	7.0
98.98468	61.9
99.04456	1.5
105.07024	2.9
107.08572	2.7
109.10157	14.3
111.04451	5.7
111.11727	1.3
116.99491	2.1
117.06990	1.3
119.08530	1.6
121.10123	1.5
123.11707	6.5
130.72141	1.4
131.08485	1.1
133.10161	1.7
137.13260	3.6
143.08582	1.3
145.10110	1.5
149.09576	1.1
149.13300	1.4
153.09151	1.9
155.01047	100.0
157.10071	1.2
159.11633	1.0
173.13139	1.2
173.23410	1.2
175.14653	1.0
196.03716	1.4
221.22687	1.5
239.23709	9.4
239.82420	1.1
273.18503	1.6
281.63965	1.1
291.19485	3.7
363.03546	1.2
393.18655	4.0
402.87976	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	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.9
51.35179	3.3
53.03944	7.4
55.05510	22.4
56.91659	3.2
57.03440	6.7
57.07071	26.4
67.05510	37.8
69.03439	4.7
69.07059	25.0
69.57339	21.2
71.08632	11.1
79.05491	47.3
81.07056	69.9
82.13873	3.8
83.04995	5.8
83.08625	16.1
85.06539	6.1
85.10204	8.0
91.05486	60.1
93.07044	77.0
95.04970	48.9
95.08613	60.6
97.06538	12.7
97.10172	6.6
98.98470	27.4
105.07030	100.0
107.04928	4.1
107.08591	48.0
109.06523	15.1
109.10143	40.2
115.05463	4.8
115.16069	4.0
117.06998	19.2
119.08585	80.3
120.09365	4.3
121.06508	17.1
121.10138	42.6
123.08084	7.2
123.11713	16.6
124.41955	3.8
128.06262	14.1
129.07005	16.0
130.07768	10.6
131.08562	48.8
133.10118	41.9
135.08055	7.0
135.11696	22.3
141.07008	7.4
142.07796	19.2
143.08582	41.7
144.09375	10.4
145.10109	64.3
147.08052	6.3
147.11673	20.1
149.09573	5.5
149.13268	4.5
155.01045	54.2
155.08551	8.9
156.09277	10.9
157.10149	63.6
159.08020	4.1
159.11726	37.9
161.09627	12.7
161.13261	9.0
163.11177	4.9
165.07091	4.5
167.08647	10.1
168.09372	7.6
169.10085	26.5
170.10925	7.8
171.11688	30.7
173.13229	19.8
175.11229	6.9
175.14836	16.0
179.08578	5.6
180.52850	4.6
181.10141	12.4
182.10889	6.2
183.11697	14.0
183.90671	3.5
185.13246	13.2
187.11211	5.3
187.14821	9.9
192.09380	5.3
193.10138	6.2
194.10883	6.2
195.11754	14.1
196.12439	4.0
197.13257	16.3
199.14856	14.4
201.16304	9.3
202.27040	4.0
207.11705	8.2
209.13269	8.3
210.13957	3.8
211.14835	8.3
223.14856	7.3
225.16348	6.5
235.14926	5.7
239.14491	5.9
239.18137	3.5
239.23775	5.3
241.19337	4.2
253.15930	4.8
307.20938	4.0
375.26642	8.0
393.19138	19.7
393.27682	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	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55304	5.2
58.23853	7.1
69.03429	14.8
69.07079	9.9
70.06574	8.2
71.48834	5.6
71.49204	8.9
78.83263	6.7
79.05463	12.1
81.03397	9.1
81.07056	17.4
84.04520	6.5
84.08060	6.2
85.02908	31.4
91.05444	10.0
93.07045	12.2
96.52816	5.3
97.02873	12.0
98.97574	14.9
103.05513	5.8
105.07004	17.7
107.04978	9.0
109.06496	12.7
116.07079	6.3
116.98615	10.9
119.03262	8.7
121.06494	6.9
123.08037	12.8
127.03922	7.0
130.04887	6.4
133.06485	15.7
134.99677	14.0
135.08031	5.9
148.20078	6.9
149.05956	11.7
151.07498	11.2
153.09146	13.4
158.99498	6.6
161.05972	22.3
177.00670	7.8
179.07036	51.4
197.08105	100.0
199.62556	5.8
215.09163	49.0
216.04510	8.0
232.17696	6.0
237.02870	11.4
263.79938	5.3
395.13171	6.3
413.06613	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	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
56.96570	5.8
57.03458	4.0
61.02904	3.0
68.92825	2.2
69.03439	10.6
69.07067	2.7
70.06599	4.8
71.49200	3.3
72.08150	2.6
73.02916	3.5
77.75065	2.0
77.88224	2.3
79.05494	4.2
81.03412	3.9
83.05035	2.9
84.04531	3.8
84.08192	3.3
85.02908	26.4
91.05486	11.5
93.08203	2.1
95.04986	2.8
97.02922	11.0
98.97581	17.5
109.02882	3.2
109.06507	3.2
113.85670	2.4
116.97952	2.7
116.98609	12.5
119.01954	3.9
119.04932	25.3
123.99888	2.2
125.05983	2.2
127.03927	6.2
128.98676	2.9
134.99677	9.1
137.05977	100.0
144.02260	2.6
145.04956	3.4
146.61707	2.7
146.99663	3.3
147.04416	48.7
151.07570	5.2
153.05502	4.6
155.07140	2.9
158.99716	4.9
161.02982	6.8
162.03261	3.3
165.05507	2.9
166.07268	2.9
177.00787	10.5
179.07021	52.9
185.08305	2.7
187.11386	2.7
197.08090	25.9
197.54004	2.7
215.09222	6.4
219.27585	2.8
227.35182	2.3
232.11940	3.7
237.02869	7.5
248.09601	4.1
294.11093	7.7
309.08746	5.7
361.40198	2.7
394.12582	7.4
394.34589	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	395.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01206	0.4
53.03944	0.5
55.01879	0.5
55.05510	0.5
56.96561	1.1
57.03425	0.6
57.21078	0.4
61.02927	0.8
67.05536	0.4
69.03435	2.2
69.76218	2.3
69.91265	0.4
70.06216	0.5
70.06590	1.3
71.05015	0.5
71.45095	0.4
72.08176	0.5
73.02938	0.5
74.06078	0.5
74.85404	0.4
80.05026	0.6
81.03442	0.8
84.08138	1.8
85.02906	6.2
86.06052	1.2
86.09715	1.4
87.04488	0.7
91.05451	0.7
94.06541	0.4
95.04986	0.8
97.02901	2.0
97.06548	0.4
98.97593	1.4
108.04519	0.7
109.02892	0.6
110.36813	0.4
116.07138	0.7
116.98624	1.1
120.08167	0.5
122.06036	1.1
123.04436	0.8
127.03950	1.3
128.98645	0.8
136.07610	0.4
144.89175	0.4
145.04912	1.0
145.07600	0.9
148.04025	0.5
150.05508	1.9
165.05605	0.4
168.06628	1.0
169.07521	0.4
170.05766	0.6
171.09232	1.1
175.04013	0.5
180.06630	0.8
183.09230	1.8
184.09917	2.7
185.04199	4.5
185.10777	1.9
186.09178	0.9
201.08627	0.4
201.10318	1.7
202.10931	0.4
203.11926	0.9
212.05661	0.6
215.08469	0.6
215.11794	3.4
217.04846	1.6
219.01814	0.9
226.07130	1.4
232.07048	10.1
232.09158	0.9
233.07748	9.0
233.12831	29.7
237.02795	1.2
258.07114	0.4
275.16284	0.5
281.06998	0.5
301.64975	0.4
313.05862	0.5
313.59445	0.5
315.11035	0.5
317.11414	0.5
363.11786	1.1
364.11420	1.3
365.12311	1.0
370.02176	0.4
395.13245	100.0
395.18182	18.8
396.13477	2.6
413.07178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89370	0.5
59.26228	0.5
61.02926	0.6
69.03429	1.3
69.10535	0.5
69.57166	1.5
69.57592	1.8
85.02904	3.1
91.05460	0.7
97.02865	1.1
98.97556	0.5
105.07006	0.6
116.98670	0.4
125.49188	0.6
127.03899	0.5
137.39294	0.5
158.51421	0.5
161.05949	1.1
163.05077	0.7
183.59961	0.5
185.04234	4.0
215.08232	1.4
217.04793	1.4
227.00821	0.5
232.07068	12.6
232.09250	1.0
233.07564	8.6
233.12775	4.2
251.27010	0.5
364.11270	1.6
365.11905	1.0
395.13147	100.0
396.13373	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	395.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05488	0.8
56.88039	0.5
56.96547	1.4
57.03439	0.9
67.05482	0.6
69.03416	1.5
69.07074	0.9
70.06574	2.1
70.75120	1.1
70.75513	1.1
71.05005	0.9
72.08141	1.3
73.02927	0.5
74.06070	0.6
79.05516	0.5
81.03409	1.1
81.07044	0.8
83.04961	0.6
84.04498	1.0
84.08131	1.6
84.96048	0.5
85.02898	3.7
85.06524	0.4
86.09707	2.0
87.04470	0.8
91.05457	1.2
93.07024	0.8
95.04958	0.6
95.08624	0.8
97.02876	1.1
97.06514	0.8
98.06065	0.4
98.97576	1.5
105.07050	1.2
107.08591	1.0
110.09689	0.9
116.98605	1.1
119.04961	0.6
119.08472	0.5
120.08084	1.8
123.04429	6.0
128.98613	1.5
129.10219	1.0
134.99651	0.6
136.07617	0.6
137.06107	0.5
146.99629	0.6
147.04411	0.6
161.05911	0.9
166.08664	0.6
177.00673	0.6
185.04240	3.9
187.08694	1.6
189.00726	0.6
197.07033	0.8
214.87671	0.5
215.08214	3.6
217.04820	1.4
219.01677	0.5
225.04283	0.8
230.08153	0.5
232.07083	5.1
233.07784	9.5
233.09814	0.7
237.02762	1.1
269.03363	1.3
280.99741	0.9
286.18063	0.6
364.11359	0.6
365.12625	0.6
373.04434	0.6
377.12515	0.6
395.13129	100.0
396.13046	3.3
413.07513	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	395.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
56.05032	0.6
56.96528	0.8
57.03422	1.2
57.73706	0.6
65.12923	0.6
67.05459	0.8
69.03426	9.1
70.06580	1.8
71.05004	0.7
71.33846	1.1
72.08152	0.8
77.63580	0.6
81.03399	2.3
81.07041	0.9
84.08125	1.1
85.02912	5.1
86.09689	2.0
87.04467	29.0
91.05492	1.4
93.07034	1.3
95.08601	0.9
97.02911	3.2
97.06512	1.2
98.97572	0.9
99.04419	0.8
105.07009	1.4
109.02872	1.2
109.06536	0.6
117.97423	0.6
119.08597	0.8
120.08099	1.0
121.08453	0.6
123.08070	1.2
127.03928	4.1
129.04494	5.0
129.05382	1.0
130.02892	1.0
136.07552	0.6
137.09619	1.5
143.07060	0.8
145.04921	1.0
147.05531	100.0
148.05896	0.6
159.05542	8.3
169.07690	0.6
170.05714	0.6
170.08353	1.0
177.06564	4.6
184.09053	0.6
187.08664	63.6
215.08159	71.0
216.08369	0.6
233.09213	77.1
234.09525	0.6
249.08653	0.8
335.11505	0.8
358.61191	0.7
359.12381	1.3
365.44141	0.6
377.13388	26.0
391.12723	0.6
395.14059	3.0
395.22629	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	395.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.31136	0.5
55.01864	1.7
56.05022	0.7
57.03427	2.2
61.02922	2.6
67.05496	0.5
68.05022	1.0
69.03426	11.6
69.07040	0.9
70.06594	2.6
71.04969	0.9
71.49116	0.6
72.08147	3.0
73.02900	2.0
74.06059	1.3
78.08440	0.6
79.05495	0.7
81.03414	3.0
82.27311	0.5
83.01336	0.5
83.92028	0.5
84.04501	1.3
84.08137	1.7
85.02901	13.6
86.09686	4.1
87.04463	1.7
87.10025	0.7
91.05483	2.0
93.07013	0.6
95.04951	1.2
95.08609	0.7
97.02889	5.7
97.06523	0.9
99.04439	1.4
104.04961	1.9
105.07034	0.7
107.04983	1.0
107.05827	0.6
107.08578	0.7
109.02865	1.9
116.07093	0.9
116.98632	0.6
117.06976	0.6
118.06515	0.8
119.04871	0.5
120.04463	0.6
120.08088	1.3
121.08419	0.8
123.04432	1.2
124.07587	0.6
127.03895	2.8
129.04483	3.4
129.10236	0.6
130.02890	3.8
132.04442	1.0
135.10446	0.9
136.07520	0.7
136.10703	1.1
145.04958	1.1
147.05524	22.9
150.04303	0.6
159.05492	2.8
159.07959	0.6
160.06308	0.7
161.07076	0.7
177.06538	1.4
178.15854	0.6
179.07083	0.6
179.16222	1.8
180.17534	0.6
181.17816	0.9
185.16521	1.0
187.08658	12.9
191.08134	0.7
196.06079	0.7
196.16882	0.8
197.17332	2.1
203.08151	9.2
207.06609	0.7
215.08153	100.0
216.08528	1.6
233.09206	62.0
234.09586	1.0
234.16606	0.6
235.10674	0.9
236.11279	0.9
240.47392	0.6
241.19897	1.3
244.74991	0.5
275.10358	0.7
275.88773	0.5
317.10907	0.5
323.57889	0.6
324.79550	0.5
349.13892	1.1
351.17532	1.9
363.11865	0.9
377.13300	2.2
377.17731	0.6
395.14240	6.8
395.20239	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	395.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.65934	0.7
56.98046	0.7
57.03438	1.4
64.89215	0.7
65.03911	0.7
68.54719	0.7
69.03436	13.3
69.07053	1.0
69.72309	4.1
70.06582	1.8
71.04990	1.2
72.08157	1.2
73.02900	1.0
79.05493	1.8
81.03402	3.0
81.07069	1.2
84.08129	1.3
85.02907	7.3
85.06544	0.8
86.09716	1.3
87.04472	46.1
91.05424	0.9
93.07006	1.0
95.04990	1.2
97.02881	4.7
97.06549	0.8
99.04449	1.6
107.04948	0.8
107.08584	0.8
109.02912	1.6
120.08093	1.9
127.03915	6.5
129.04488	8.1
130.02893	1.1
135.11656	0.8
136.07582	0.9
143.07002	1.7
145.04994	1.2
147.04443	1.9
147.05533	30.6
148.04762	1.7
159.05553	16.0
163.07501	0.8
165.05487	1.0
170.08487	1.1
177.06589	7.7
179.07013	1.7
180.07384	1.3
187.08673	100.0
188.09024	1.8
197.08304	0.7
198.08347	1.0
215.08163	96.6
216.08459	2.0
233.09227	21.8
237.02782	1.2
245.44489	0.9
276.10809	1.1
286.21118	0.7
359.12125	1.4
372.02176	0.8
374.88751	0.8
377.13449	59.0
378.13614	2.5
395.09393	1.4
395.14297	1.5
395.23239	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	395.2042
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
50.01361	0.5
55.01864	0.4
55.05506	1.3
56.96556	0.7
57.03424	0.7
57.07082	0.4
61.21874	0.4
67.05508	1.6
69.03427	0.9
69.07078	2.2
69.07393	0.4
71.49604	0.5
79.05492	2.1
79.50127	0.4
79.85852	0.4
81.03406	0.4
81.07066	3.1
83.08626	0.9
84.08101	0.5
85.02904	1.0
85.06554	0.4
87.04486	0.4
89.60991	0.4
91.05490	1.4
92.09622	0.4
93.07053	2.1
95.04960	1.0
95.08618	2.4
97.02877	0.4
97.06529	4.9
97.10192	0.4
105.07027	2.0
107.04981	0.7
107.08598	1.7
109.10168	1.5
117.06969	0.6
119.08558	2.1
120.08084	0.4
121.06483	1.0
121.10172	1.5
123.04405	0.6
123.08106	0.7
123.11741	0.5
125.06008	0.4
125.09654	0.4
128.76622	0.4
129.06975	0.7
131.08600	0.8
133.10146	1.5
135.11713	0.7
136.06158	0.5
137.09569	0.6
143.08617	0.8
145.10164	1.1
147.08037	0.6
147.11725	0.9
151.07530	0.5
155.01833	0.7
157.10123	0.5
159.08076	0.6
159.11703	0.9
161.09651	0.7
161.13235	0.6
162.07745	0.6
163.03886	1.1
163.08159	0.6
163.11227	0.4
167.07031	1.5
171.11655	0.8
172.07469	0.4
173.02808	0.9
173.09674	0.6
173.13283	0.6
185.02934	0.6
201.03670	0.5
203.05283	8.6
215.07016	0.8
215.14278	0.6
227.06163	0.4
233.05179	0.7
233.11609	0.7
233.15315	0.7
236.12857	0.5
241.15849	0.6
255.09180	0.6
259.09619	1.9
265.07660	0.5
273.10172	0.5
275.06186	2.1
283.08557	1.7
290.04858	0.8
301.09601	1.1
395.20413	100.0
396.20663	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	396.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64657	1.2
53.03941	1.4
53.12846	1.2
55.01869	2.7
55.05516	1.6
57.03432	1.7
67.05503	4.5
69.03417	6.3
69.07063	4.8
71.05008	2.0
71.22665	3.1
79.05486	4.4
81.03442	1.8
81.07046	1.8
81.08665	1.2
83.01369	2.0
83.04984	2.6
84.08125	1.7
85.02905	10.6
86.09711	3.8
91.05497	3.4
95.04956	1.6
95.08619	1.5
95.73037	1.2
97.02890	6.3
97.06559	7.3
103.53188	1.2
105.07044	3.6
107.08595	28.5
109.06506	4.1
109.10171	21.6
111.04466	3.7
117.07018	3.0
117.12473	1.3
122.90701	1.4
125.06001	7.0
125.09638	3.4
127.03902	2.0
135.08057	33.5
137.09622	9.7
145.04939	1.5
147.04437	2.0
153.09091	16.3
163.05107	1.7
163.07541	50.1
180.08690	1.9
181.08612	24.0
187.14471	1.7
199.09662	100.0
216.08449	1.8
217.10687	4.5
234.09520	3.4
235.10754	3.5
377.14145	1.4
396.13651	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64657	1.2
53.03941	1.4
53.12846	1.2
55.01869	2.7
55.05516	1.6
57.03432	1.7
67.05503	4.5
69.03417	6.3
69.07063	4.8
71.05008	2.0
71.22665	3.1
79.05486	4.4
81.03442	1.8
81.07046	1.8
81.08665	1.2
83.01369	2.0
83.04984	2.6
84.08125	1.7
85.02905	10.6
86.09711	3.8
91.05497	3.4
95.04956	1.6
95.08619	1.5
95.73037	1.2
97.02890	6.3
97.06559	7.3
103.53188	1.2
105.07044	3.6
107.08595	28.5
109.06506	4.1
109.10171	21.6
111.04466	3.7
117.07018	3.0
117.12473	1.3
122.90701	1.4
125.06001	7.0
125.09638	3.4
127.03902	2.0
135.08057	33.5
137.09622	9.7
145.04939	1.5
147.04437	2.0
153.09091	16.3
163.05107	1.7
163.07541	50.1
180.08690	1.9
181.08612	24.0
187.14471	1.7
199.09662	100.0
216.08449	1.8
217.10687	4.5
234.09520	3.4
235.10754	3.5
377.14145	1.4
396.13651	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.7
57.03437	2.0
69.03433	9.7
69.07069	8.8
70.06593	1.2
70.77942	1.0
79.05484	1.3
81.07051	0.7
83.04984	10.9
84.08127	0.7
85.02913	2.5
86.09715	1.1
90.73582	0.5
91.05495	0.7
95.04970	0.7
97.02888	1.5
97.06541	11.1
107.04951	0.8
107.08600	0.4
109.10099	0.4
116.63367	0.4
119.98153	0.4
124.07554	0.6
125.05996	52.4
126.06319	1.0
127.03941	0.6
135.07970	0.6
136.06194	1.9
136.07588	0.7
143.07040	100.0
144.07388	1.2
147.05537	1.0
148.05850	0.5
163.05042	0.7
163.07559	0.9
164.07043	0.6
180.08647	0.9
181.08649	0.9
199.09659	14.0
216.08484	0.9
217.10722	37.3
218.11131	0.5
235.10803	1.1
322.38306	0.4
357.85654	0.4
396.22595	0.7
397.15500	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	396.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
55.05502	3.0
56.05053	0.9
57.03431	2.3
61.02940	1.2
67.05489	1.2
69.03428	14.7
69.07069	10.4
70.06587	3.5
71.04983	1.5
72.08156	1.0
73.02936	1.7
79.05499	2.8
81.03410	2.4
81.07060	2.0
83.04979	11.7
84.08150	3.0
85.02908	6.6
86.09704	3.7
87.04467	1.9
91.05479	1.9
93.07041	1.5
95.04944	0.9
95.08672	0.9
97.02913	3.9
97.05952	0.9
97.06533	12.8
99.04452	1.5
105.07012	0.8
107.04958	1.7
109.02868	1.4
109.10157	1.7
110.07182	1.5
115.07529	0.9
120.04466	1.7
120.08137	1.0
124.48351	0.7
125.05996	52.3
127.03920	2.0
129.04495	2.0
135.08058	1.5
136.06180	4.3
136.07590	2.7
137.05968	2.3
137.09648	1.1
139.03943	1.1
139.30775	0.9
143.07037	100.0
145.44652	0.8
146.02351	1.5
147.02698	1.0
147.05513	8.7
148.05869	3.1
149.06032	1.1
153.09131	1.1
159.05579	1.1
163.05026	12.7
163.07559	2.9
163.33008	0.8
163.34996	0.8
164.07056	1.3
171.06073	0.9
175.05034	1.6
177.06653	1.2
181.08575	1.7
199.07961	1.4
199.09691	16.3
201.07692	1.5
201.10233	6.4
202.10562	2.2
217.10780	40.0
219.11267	4.9
220.11702	1.8
233.09192	1.7
234.09644	3.0
235.10786	19.0
273.11255	1.1
280.10739	0.9
379.15173	1.1
396.14694	1.3
397.16086	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	397.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	17.8
57.03431	2.3
61.02917	4.7
66.20547	2.4
69.03422	6.0
69.67668	12.1
70.06602	4.9
81.03438	2.6
84.08161	2.4
85.02914	14.5
91.63832	2.5
92.67611	1.9
97.02897	8.8
97.33057	2.3
98.21498	4.2
98.97587	57.7
100.07587	2.8
100.99143	4.4
109.02837	2.3
110.07177	4.3
110.97585	8.5
111.80439	2.3
112.99131	47.7
116.07084	2.8
116.98611	31.9
119.01904	4.2
121.50248	2.0
127.03967	5.3
128.98627	10.1
131.00166	77.9
131.01712	3.4
133.01711	3.0
134.99677	10.1
145.01764	5.6
146.99667	6.7
148.03891	4.7
149.01225	52.8
158.99692	16.8
161.01244	4.5
163.02850	11.8
167.02313	7.3
170.99680	4.6
173.01256	46.7
175.02803	5.9
177.00745	21.5
187.02782	6.2
187.68309	2.4
189.00758	5.3
189.89226	2.1
190.55394	2.4
191.02283	50.8
191.04048	2.8
193.03879	10.0
201.00780	4.3
205.03862	4.9
207.07544	2.8
207.09471	2.5
209.03351	2.5
211.04848	12.6
219.01749	18.1
220.06270	2.3
221.05188	2.7
233.03389	20.0
235.04738	4.5
237.02820	39.6
238.03046	2.5
247.04707	2.6
248.05544	3.2
249.06348	8.8
250.06960	4.2
255.03807	3.9
263.04419	4.8
265.08279	5.2
275.04471	4.6
278.08392	3.5
281.05527	25.3
293.05414	5.7
295.06979	3.1
335.79504	2.7
337.08078	100.0
338.08368	3.4
355.09109	80.3
356.09409	2.5
373.09885	3.1
397.10266	21.1
397.15881	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	397.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69975	0.5
69.03415	0.4
69.26736	0.4
70.06598	5.4
70.35110	1.6
71.06922	0.8
79.05477	0.5
84.08124	0.9
85.02910	0.7
92.51644	0.4
128.11852	0.5
159.05327	0.4
159.72913	0.5
185.04178	3.2
217.11887	0.6
234.04893	0.7
235.05760	16.0
283.20477	0.5
397.11044	100.0
398.11334	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	397.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.4
69.03421	1.2
69.36078	0.4
69.36397	3.9
70.06580	1.3
72.08148	0.6
81.03401	0.7
81.07030	0.5
83.04977	0.6
84.04500	0.6
84.08132	1.2
85.02907	2.1
86.09693	0.6
94.61908	0.4
97.02901	1.0
98.97602	1.0
102.56891	0.4
107.04967	0.5
109.06529	0.4
116.98580	0.4
119.16840	0.4
120.08102	0.6
127.03893	0.6
129.10239	0.5
134.99634	0.6
138.09143	0.8
145.04993	0.5
163.05066	0.5
165.01660	0.5
185.04195	2.0
187.81325	0.4
227.37553	0.4
235.05745	6.0
237.02783	0.4
364.06512	1.5
379.08475	0.8
382.08301	0.8
397.11032	100.0
398.11450	2.2
412.48581	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	397.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06936	0.4
55.01847	0.5
56.96568	1.0
57.03432	0.6
61.02919	0.5
66.79449	0.4
69.03423	2.1
69.07073	0.9
70.06599	2.1
71.05009	0.4
71.49398	0.6
72.08141	1.3
78.46886	0.4
79.05476	0.6
81.03391	1.0
84.04510	0.9
84.08138	2.6
85.02901	3.6
86.09709	0.9
87.04478	0.7
88.04662	0.4
88.07630	0.4
91.05485	0.7
95.04949	0.7
97.02884	1.6
97.06523	0.5
98.97572	1.5
99.04436	0.5
100.07620	0.5
103.05495	0.5
105.07011	0.6
109.02903	0.8
116.98589	0.7
119.64567	0.4
120.08067	0.9
127.03875	0.8
129.10228	1.0
136.07574	0.5
137.05971	0.6
145.05005	0.6
146.05971	0.6
147.04414	1.3
147.05530	1.2
172.07687	0.4
185.04205	8.5
191.03714	0.4
197.02913	0.5
197.06989	0.4
200.09940	0.7
210.08179	0.4
211.04649	0.4
217.09703	0.5
221.05035	0.5
235.05775	26.8
235.10785	1.0
236.09119	0.5
237.02763	0.6
238.03336	0.6
256.04395	0.6
265.08093	1.2
292.04236	0.5
295.06644	0.8
316.04504	0.7
364.06451	1.7
379.08856	1.4
382.07785	0.6
391.40469	0.5
397.11035	100.0
398.11469	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	397.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98046	0.9
53.03934	1.1
57.03436	1.6
61.02906	2.6
67.13042	0.8
69.03434	4.5
69.53885	2.2
69.54295	4.4
70.06612	1.0
71.04997	5.2
71.10682	0.8
81.03413	2.1
85.02898	8.4
97.02872	2.8
109.02791	0.8
120.04544	1.0
134.20642	0.9
147.00555	1.6
147.05524	8.9
155.37856	0.9
165.01608	4.8
173.07190	1.3
175.04901	1.1
184.06325	5.0
185.04205	2.3
187.08650	7.7
191.06839	1.3
193.05011	0.9
197.07077	5.6
199.08667	25.4
203.05325	1.6
210.54749	0.9
217.04723	2.5
217.09721	34.2
235.05750	38.6
235.10765	79.9
236.05991	1.3
255.06001	1.3
255.08405	11.1
353.12012	2.0
397.11041	100.0
397.15439	3.6
398.11392	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	397.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55819	0.3
53.03943	0.6
55.01880	0.4
57.03450	1.4
59.04960	0.4
61.02929	1.7
64.50218	0.3
69.03432	4.3
70.06570	0.6
70.74059	0.8
71.04996	5.4
73.02904	0.6
79.05554	0.4
81.03416	1.5
81.07074	0.6
85.02909	8.3
87.04478	0.5
91.03936	0.4
91.05500	0.5
96.04507	0.7
97.02898	3.0
99.04465	0.7
109.02886	0.8
119.04942	0.3
120.04402	0.7
127.03922	1.8
128.44490	0.3
129.04541	0.3
132.04462	0.3
144.04466	0.5
145.03978	0.4
145.04982	1.1
146.06047	0.4
147.00549	0.5
147.04411	0.9
147.05522	7.2
161.07124	0.7
163.05040	2.6
163.07364	0.3
165.01611	1.3
167.10835	0.3
173.07124	1.7
175.05106	0.7
182.06044	0.4
184.06346	7.3
185.04263	0.7
185.06996	0.5
186.07875	1.5
187.08675	11.1
191.06929	0.3
193.04993	0.6
197.07109	8.6
199.08667	29.3
200.07159	0.5
200.08774	0.4
211.26871	0.3
217.09731	42.5
218.10066	1.2
235.05861	9.7
235.10782	100.0
236.06084	0.6
236.11017	2.3
255.08408	2.6
353.12305	0.5
397.10974	21.0
397.15491	2.4
398.11331	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	397.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01864	1.0
56.96552	0.5
57.03440	2.5
59.05021	0.4
61.02930	3.3
69.03433	9.3
70.06580	1.2
70.48268	0.5
70.48604	1.0
71.04623	0.6
71.04998	10.6
73.02913	1.8
80.05003	0.7
81.03423	3.4
81.07041	1.0
83.01324	0.8
84.04489	0.5
84.08144	0.9
85.02911	16.2
85.13028	0.4
86.09703	0.8
87.04456	1.7
91.03958	0.9
91.05472	1.3
93.07086	0.5
95.04962	0.4
97.02897	6.9
98.97588	0.4
99.04453	1.2
100.96993	0.4
107.04954	0.5
107.08600	0.9
108.08955	0.7
109.02875	2.2
115.03924	0.9
116.07093	0.4
119.04979	0.4
120.04464	0.7
127.03947	3.3
129.04526	0.7
130.02908	0.4
130.17670	0.4
132.04512	0.5
136.07504	0.6
137.05963	0.4
145.04994	1.9
146.05940	0.5
147.05539	21.5
148.05824	0.4
159.06866	0.4
161.07100	1.1
173.07132	1.7
175.04959	0.5
184.06313	6.7
185.06892	0.5
186.07939	1.0
187.08678	11.6
197.05397	0.3
197.07109	8.8
199.08669	29.7
200.07051	0.5
217.09731	48.4
218.09911	2.0
235.10783	100.0
236.11115	3.3
397.15912	11.5
398.15976	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	397.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01859	2.3
55.05518	9.4
56.05032	2.5
57.03436	4.2
61.02924	3.2
63.27494	1.1
67.05509	2.2
69.03429	14.8
69.07067	3.8
70.06595	6.1
71.04989	3.5
71.24809	2.6
73.02914	2.3
73.06553	3.6
79.05492	2.8
80.30099	1.0
81.03418	4.4
81.07044	1.7
83.04980	2.3
84.04480	1.4
84.08149	8.8
85.02906	18.8
85.07676	1.5
86.09708	6.7
87.04496	2.5
91.03983	1.3
91.05472	1.4
93.07034	1.9
95.04953	2.1
97.02882	8.6
97.06543	3.2
98.06888	1.2
99.04467	2.5
101.02381	1.7
105.07030	2.0
107.04958	2.2
109.02869	2.7
109.06486	1.4
110.07172	2.0
111.04508	1.5
111.05370	1.1
112.61381	1.1
120.04478	4.9
121.06494	1.7
122.06039	1.5
125.05971	7.8
126.06351	4.6
126.39527	1.1
127.03935	2.4
129.04477	6.8
129.10236	4.9
132.10207	1.1
135.08080	1.5
136.03905	2.4
136.06198	5.0
136.07561	7.7
137.05936	9.1
139.03943	1.3
143.07043	14.7
143.44743	1.1
144.07355	10.4
145.03957	4.4
145.04985	2.2
146.02365	2.8
147.04443	2.4
147.05525	31.8
147.06725	1.6
149.06010	1.6
151.07545	2.4
152.07103	1.3
159.05524	6.6
161.05989	1.8
161.09546	1.5
163.05025	77.7
164.05507	2.0
164.07066	3.2
165.05502	1.4
167.07027	2.0
171.08069	1.4
175.05067	8.1
177.06606	4.2
177.15143	1.5
185.09549	2.1
193.06116	3.0
198.06723	2.5
200.10072	1.2
201.10234	25.9
211.07599	1.2
213.09132	4.1
217.09662	24.3
218.11107	6.0
219.11295	14.1
225.09096	2.0
235.10777	100.0
236.11105	2.7
243.10103	2.0
267.43439	2.0
273.11243	10.4
354.14612	1.4
379.15173	3.8
397.15656	28.4
398.16907	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	397.1649
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
50.56902	1.2
55.01871	1.3
55.05508	1.8
65.03944	1.2
67.05477	2.2
69.03426	2.8
69.07041	1.2
69.32372	1.1
71.19437	2.4
74.29420	1.1
79.05474	3.1
81.07047	3.1
85.02892	4.8
91.05474	10.8
93.07035	2.1
94.04143	2.9
95.04952	3.0
95.08601	2.2
97.06525	1.9
103.05492	2.9
105.07024	4.9
107.04960	3.1
107.08605	1.2
109.06504	2.4
115.05425	2.6
117.07038	2.1
119.04944	6.1
119.08598	1.6
121.06474	1.9
121.10129	2.2
122.03658	7.0
124.05244	1.2
125.40775	1.1
128.06209	4.4
129.06998	7.1
131.04900	3.5
131.08560	5.0
133.02803	2.1
133.06458	1.2
133.10124	2.9
135.04346	2.3
135.08087	1.5
137.05980	92.0
138.06287	2.0
141.06993	4.1
142.07790	2.3
143.04918	1.3
143.08507	2.7
144.05664	3.2
145.05080	1.2
145.06424	2.1
146.03658	1.6
147.04367	2.1
147.08040	1.3
149.05974	6.0
151.03926	1.6
151.07527	11.7
152.06181	1.4
153.01881	1.5
153.05394	1.0
153.06943	2.8
154.07742	1.9
155.08546	5.2
157.06450	3.7
157.10156	1.9
158.07281	3.2
159.08052	6.4
161.05980	15.2
161.09676	4.2
164.66508	1.4
165.06985	4.3
167.08537	2.4
168.05765	1.3
169.06451	3.1
170.07245	2.5
171.08023	4.7
172.08849	2.3
173.09659	2.6
175.07545	4.5
177.05331	1.2
179.10597	2.6
181.06473	2.9
182.07240	7.4
183.07982	3.6
184.05219	1.4
184.08817	3.8
185.05963	2.4
185.09615	10.1
186.06734	3.1
187.07588	7.0
187.11180	2.5
189.09048	2.8
189.12700	1.5
191.07021	9.5
191.12617	1.2
194.07240	3.5
195.08075	2.8
197.05919	3.1
197.09595	10.3
198.06779	17.9
199.07526	10.5
199.11156	2.6
200.08307	4.2
201.09013	5.6
202.07838	1.6
203.08662	2.1
203.10625	1.6
205.08572	2.1
210.06749	2.1
211.07472	3.1
212.08348	4.4
213.09099	22.3
215.06918	1.4
215.10695	5.3
217.08528	2.6
217.10329	2.0
217.15848	7.2
219.08192	1.4
223.07631	1.3
224.08430	1.4
225.05457	1.2
225.09090	13.7
227.10623	2.7
228.07651	1.4
229.08394	2.0
229.10304	2.8
231.08008	3.3
231.10074	1.7
232.08742	2.1
233.09601	3.1
235.07510	1.3
235.16930	2.5
237.09155	1.7
242.09387	2.2
243.07840	2.9
243.10152	22.4
245.09558	3.8
245.11792	2.8
246.10313	2.1
247.07515	2.1
248.08369	2.0
249.05548	1.5
249.09013	1.4
255.10138	7.9
257.09598	4.1
258.10376	1.9
259.07510	2.2
259.11191	1.6
260.08331	2.4
261.09137	5.7
262.09839	1.4
264.07782	2.6
265.08633	3.7
271.07584	3.3
272.08319	2.2
273.11264	65.6
274.09714	2.4
275.10577	3.6
276.07825	4.2
277.08588	5.3
277.12103	1.4
278.09314	2.2
279.06638	1.5
279.10135	1.8
285.09003	3.8
286.09918	2.4
287.07150	1.7
287.10745	2.2
288.07843	2.9
289.08560	4.4
289.12207	3.7
290.09384	2.7
291.10126	8.4
292.07300	4.3
292.10669	1.9
293.07980	3.1
293.11642	3.8
294.08963	1.7
301.08667	2.6
302.09430	3.2
303.10126	7.0
304.10764	1.9
305.08286	2.7
305.11667	5.7
306.08777	1.7
307.09656	14.6
308.10370	8.0
317.11636	3.3
318.12344	1.9
319.09628	4.0
320.10504	3.4
321.11163	7.6
323.12659	2.9
325.10861	2.1
329.11346	1.4
333.11215	3.6
334.11957	2.5
335.12720	6.9
336.13400	3.5
337.14294	3.4
339.12219	3.0
349.14346	5.8
351.12253	19.1
351.16232	1.0
353.13974	3.6
354.14600	27.3
355.14941	1.5
361.14450	2.6
364.12772	1.6
365.13895	2.6
367.15295	3.7
379.15433	16.6
380.16129	1.3
397.16458	100.0
398.16879	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	397.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.9
55.01869	15.6
55.05507	19.2
56.96566	7.3
57.03422	15.5
61.91209	4.6
67.05507	40.8
68.99786	7.0
69.03429	46.6
69.06743	4.9
69.07075	45.0
71.04984	25.1
71.49458	5.8
71.49847	5.3
79.05488	36.1
81.03407	22.2
81.07053	55.0
83.04975	19.9
83.08616	13.5
85.02900	35.7
85.06521	7.8
86.09728	6.0
87.00839	13.5
87.04487	6.4
91.05482	35.4
93.07036	35.8
95.04962	19.5
95.08610	44.2
97.02901	26.7
97.06550	28.7
97.10179	6.9
98.97597	5.0
99.04465	10.7
105.07037	54.2
107.04926	9.4
107.08596	52.3
109.02853	10.8
109.06508	27.2
109.10151	34.1
111.04449	9.6
111.08113	8.0
115.03902	5.1
115.05439	6.0
117.07023	17.6
119.08567	53.5
121.06516	14.3
121.10126	42.9
123.08081	19.3
123.11728	23.8
127.03918	6.9
128.06236	8.1
129.07022	9.7
131.08574	28.9
133.06470	4.8
133.10143	41.2
135.04378	7.4
135.08087	15.9
135.11703	24.5
137.05978	32.7
137.09625	12.4
137.13217	11.3
141.06985	6.0
142.07768	6.3
143.08582	21.8
144.09340	6.7
145.06441	9.9
145.10146	33.4
147.08087	14.7
147.11696	21.1
149.09604	19.0
149.13272	14.2
151.07585	9.7
151.11171	9.7
153.05467	7.7
157.10168	16.1
159.08044	9.1
159.11711	34.7
161.01254	8.9
161.09602	16.3
161.13254	27.1
163.11272	7.2
165.05486	8.2
167.07027	5.5
167.08501	5.3
169.10123	11.5
171.08063	10.6
171.11653	12.6
173.13275	12.9
175.07597	8.3
175.11205	11.5
175.14856	11.0
177.12807	7.6
179.14302	7.2
183.11734	9.0
185.06107	5.2
185.09636	13.9
185.13243	9.7
187.11197	23.1
187.14780	6.1
189.09103	8.2
189.12737	13.9
189.16418	7.4
191.14288	5.8
197.09593	5.6
197.13197	7.0
199.14801	9.6
201.03943	9.9
201.12628	9.6
201.16557	6.3
203.05295	7.8
203.14294	6.2
205.12227	18.8
207.10109	12.0
211.07516	5.2
211.14824	6.9
213.09093	8.9
215.14235	6.2
217.15863	10.3
221.15369	5.6
230.54005	5.7
235.16949	9.5
257.15344	24.4
273.11273	8.8
275.16422	13.6
293.17548	7.5
335.18207	7.1
361.16147	9.4
379.17349	85.9
397.17941	100.0
397.23145	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	398.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98696	0.2
54.20813	0.2
55.05494	0.4
56.96564	0.3
57.03426	0.4
61.02907	0.3
65.03944	0.4
67.29504	0.2
69.03430	1.2
70.06582	0.4
70.96187	0.3
72.08153	6.9
73.02892	0.2
73.06543	0.4
73.50912	0.2
79.21091	0.2
81.03408	0.2
84.04511	0.2
84.08141	0.5
85.02899	1.7
86.09693	0.2
90.09190	3.2
91.05480	4.9
93.07031	0.2
94.50014	0.2
95.04971	0.2
96.04490	0.2
97.02892	1.0
98.97594	0.4
99.55397	0.2
109.02843	0.4
109.95989	0.2
110.07138	0.3
116.98643	0.3
119.04940	17.3
120.08123	0.4
121.06539	0.2
127.03905	0.6
127.36001	0.2
131.04897	0.3
134.99704	0.2
136.07619	0.2
138.09193	0.4
144.04437	2.1
145.04958	0.3
147.04404	100.0
148.04744	1.1
163.03871	0.4
177.00716	0.2
179.06409	0.2
189.05669	0.2
190.05936	0.2
218.04442	0.7
218.11845	0.3
219.01714	0.2
236.09200	0.3
236.12843	8.1
236.53416	0.2
237.02785	0.3
237.07074	0.2
237.12309	0.2
291.08643	0.6
294.49661	0.2
309.09851	0.9
316.73410	0.2
398.11356	2.0
398.16907	0.4
399.12668	1.7
406.67868	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	398.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03207	3.2
57.03437	32.5
61.02930	14.4
67.60729	2.6
69.03429	39.9
69.07071	45.1
70.06583	4.0
70.65443	4.3
70.65791	5.7
71.04995	6.2
73.02520	4.4
73.02917	75.7
81.03401	8.6
81.07014	3.3
85.02903	100.0
87.04491	5.6
88.64980	2.1
91.03938	4.3
91.61756	2.4
93.07014	4.9
95.08585	4.0
97.02888	61.7
99.04459	5.4
104.50541	2.5
107.73434	2.7
109.02860	9.3
111.08055	3.1
115.03201	3.7
115.03932	50.3
127.03903	33.3
133.04955	23.4
135.96132	3.0
136.07538	2.6
137.09561	3.4
137.53860	2.2
139.07602	2.3
145.04955	58.1
147.05510	6.1
148.05849	4.2
150.07649	2.6
151.51463	2.3
163.06032	43.6
165.09116	5.1
167.82050	2.4
183.10162	5.4
193.04883	3.9
200.08807	2.8
201.11218	6.8
213.11182	3.9
218.10075	8.2
223.06090	5.0
231.12318	5.6
235.10767	7.2
236.11115	13.8
241.07072	6.6
259.08182	11.1
282.17160	2.5
295.10199	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	398.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54622	2.3
54.98580	2.1
57.03440	3.0
67.05496	11.3
69.78297	4.1
69.78708	9.8
79.05504	3.6
81.07060	12.3
84.08159	3.5
85.02901	7.1
86.09735	3.4
91.05466	3.4
93.07040	4.8
95.04967	4.0
95.08604	9.5
99.04444	3.4
99.08073	2.7
103.02220	2.4
107.08544	2.8
109.10157	61.4
111.04451	5.5
112.00750	2.5
119.08598	3.9
121.10121	4.0
125.05997	3.7
137.09624	55.9
147.08058	5.5
155.10686	30.5
164.07112	2.7
165.09114	64.0
175.07626	2.6
183.10188	37.6
201.11220	100.0
218.10074	3.1
219.12283	26.5
221.25888	2.7
235.10838	3.3
236.11024	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98648	0.4
56.96562	8.4
58.22164	0.3
60.18015	0.3
67.51000	0.3
71.48711	0.3
71.95251	1.3
97.02866	0.6
98.97581	57.9
111.82682	0.3
116.98621	59.4
130.93274	0.7
134.99657	39.6
140.00174	0.8
148.94382	0.4
153.00710	5.5
158.01260	0.9
172.94351	2.3
174.97623	0.7
177.00917	0.4
177.67149	0.3
179.71524	0.3
190.95416	4.5
192.98787	0.7
208.96452	2.9
214.95183	1.6
216.98720	0.3
219.02084	0.7
232.96468	8.3
234.99756	0.9
236.00060	0.4
241.94055	0.5
250.97523	7.2
256.96436	14.0
258.99811	3.1
260.00070	0.4
261.03027	1.1
262.03375	0.3
274.97510	100.0
275.97855	1.2
276.97919	0.6
277.00824	6.2
278.01050	0.6
278.95972	0.3
282.99979	1.0
292.98557	94.8
293.98840	1.0
294.99130	0.4
297.99069	3.0
298.97641	3.3
299.97867	0.4
301.00992	3.5
302.01144	0.6
303.00781	0.7
310.99551	0.9
316.00223	2.1
316.98776	8.0
317.98865	0.9
319.02011	0.4
356.98343	0.9
357.03729	0.4
374.99240	5.9
375.25415	0.4
398.97653	1.8
416.98798	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	399.1076
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
55.01869	1.5
56.96571	0.8
57.03426	1.0
67.01875	2.4
67.05489	0.5
68.99790	4.6
69.03432	2.3
69.07022	1.0
69.56492	1.4
69.56922	2.3
70.06576	0.6
74.47541	0.4
79.05497	1.4
81.03411	0.9
81.07054	0.7
83.01316	0.5
83.04971	1.0
85.02905	1.8
91.05485	1.2
93.07047	0.7
95.04918	1.1
95.08596	0.5
97.02889	1.7
97.06527	1.1
98.97608	0.6
103.05471	0.7
104.53378	0.5
105.07008	0.7
107.04953	0.8
107.08590	1.2
109.02861	0.6
111.00818	1.7
115.05450	1.0
116.98598	0.5
117.07015	0.9
121.06525	0.5
121.10188	0.6
123.04423	2.1
127.03926	0.6
128.06267	1.2
129.01871	0.5
129.07002	1.3
133.06458	1.0
133.10191	0.6
135.08049	0.9
137.02335	0.8
137.05992	1.0
139.03902	1.2
141.07007	1.0
143.04842	0.8
143.08574	1.6
143.80811	0.5
144.05678	0.6
145.06493	1.3
147.04443	1.0
147.07996	0.7
153.01833	100.0
153.06963	3.7
154.02176	1.1
155.03419	0.6
155.04855	0.5
155.08565	0.9
157.06499	1.5
159.08073	1.2
160.05212	2.0
161.06000	4.8
163.03906	1.0
165.01891	2.8
165.06995	0.9
167.08589	0.8
169.06500	0.9
171.02910	1.2
171.08061	1.8
173.06017	2.5
174.06773	1.0
175.03928	0.7
175.07605	3.0
176.04617	0.8
177.00739	0.5
181.01328	1.1
181.06514	2.4
183.08087	0.8
184.05209	0.6
185.05963	0.9
186.06816	0.6
187.04007	0.5
187.07555	1.6
188.04666	0.7
188.08261	0.7
189.01901	0.6
189.05440	2.0
189.07060	0.5
189.09071	3.2
195.02902	0.7
195.08200	0.6
197.06044	1.1
199.07597	3.9
200.04659	0.9
201.05432	3.0
201.09109	2.2
203.03386	2.8
203.07030	1.6
205.08569	0.6
207.02948	0.9
209.06012	1.1
211.07607	0.8
213.05440	1.0
215.07016	1.4
216.04123	1.2
217.04953	1.6
217.08510	2.5
227.07053	4.7
229.04979	1.4
229.08614	6.0
231.06586	2.0
237.05469	1.2
237.15067	0.6
240.04308	0.7
241.08600	0.9
243.06520	0.6
245.04465	0.9
245.08116	2.7
247.09740	0.7
251.07155	0.7
252.04060	0.7
253.04993	1.6
255.06555	11.8
257.04700	0.6
266.05841	0.6
269.04611	1.2
269.08054	1.2
270.05533	0.4
271.06088	0.8
273.04330	1.1
273.07571	17.5
278.05777	0.9
279.06525	1.6
281.04385	0.5
281.08154	0.7
282.05124	2.5
283.06113	0.9
285.03952	2.3
289.08426	0.6
292.07068	0.8
295.06119	1.9
296.03119	0.6
297.03912	1.5
297.07629	1.8
298.04681	3.4
299.05487	2.2
302.04388	0.9
303.05081	1.5
306.05231	1.7
307.06375	0.7
307.09625	2.0
309.07578	2.0
310.04712	0.9
311.05502	4.4
311.09055	1.1
313.03467	5.0
313.07114	2.3
313.10382	0.5
315.08542	0.6
317.08124	0.7
319.06244	1.0
320.06644	0.9
323.05576	1.7
324.06256	2.4
325.07144	2.9
325.10641	0.8
326.04294	2.3
327.05020	6.0
327.08609	1.0
334.04834	2.3
335.05444	1.0
335.09201	3.7
337.07022	3.5
339.04965	1.1
339.08640	1.2
340.05698	0.8
342.07227	0.9
348.06384	1.2
351.08752	0.8
353.06549	0.9
353.10248	3.9
355.08154	12.5
363.08627	4.8
381.09680	15.9
399.10764	31.9
400.11026	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	399.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47346	0.7
56.05037	2.0
56.96561	2.5
61.01142	0.9
61.02919	2.7
68.44025	0.7
69.03424	2.7
71.01073	1.5
73.02915	4.1
77.14458	0.7
85.02904	4.7
91.03966	0.9
97.02311	1.2
97.02892	13.6
98.97590	14.5
102.05557	4.3
102.06117	0.7
110.97578	2.3
112.02860	0.8
112.99118	0.8
116.98624	9.6
118.02837	1.5
119.01885	2.7
119.70452	0.7
121.01704	1.0
127.03928	1.4
128.97836	0.7
128.98616	4.8
131.00174	2.4
131.01907	1.7
134.99634	3.9
136.06190	10.7
143.00189	1.2
145.03419	1.2
145.04979	0.8
146.99651	3.2
147.03098	4.2
149.01265	7.2
156.03603	9.3
158.99661	10.0
161.01205	0.8
161.03038	1.1
167.02281	2.6
170.99657	1.9
173.01189	0.7
177.00720	14.1
189.00719	7.2
191.02280	2.6
195.01569	1.7
201.00764	1.1
203.02255	1.2
203.29482	0.8
207.01711	1.5
210.96736	0.8
213.02454	1.1
219.01804	9.6
219.06259	1.2
221.05135	1.1
228.05728	24.7
228.55997	2.7
231.01628	1.9
237.02785	3.7
237.06146	8.8
237.56506	1.0
238.02763	0.8
248.57254	1.7
249.02867	6.1
250.09366	10.2
255.03799	3.0
261.02759	1.2
264.08932	0.9
272.06592	1.2
279.03854	10.8
291.03540	1.3
293.05426	1.0
297.04828	2.2
297.08041	1.3
298.09805	2.5
309.04904	1.4
311.06616	1.0
318.08945	1.8
339.05518	2.8
339.09619	4.5
357.06653	4.2
399.07388	8.8
399.12610	100.0
400.07169	0.7
400.12943	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	399.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.5
56.96553	0.4
57.03436	0.2
57.07064	0.4
59.06115	0.3
61.02924	0.3
66.27354	0.3
66.59029	0.2
69.03407	1.0
71.43266	0.4
73.02881	0.3
81.03426	0.3
83.04971	0.4
85.02892	1.2
85.07612	0.3
97.02878	1.7
98.97561	0.5
102.05527	0.5
110.06016	0.3
116.98618	0.5
119.01916	0.3
127.03905	0.8
128.39372	0.2
129.15082	0.2
136.06197	1.8
137.05920	0.4
145.04974	0.5
146.05983	1.7
148.03915	0.7
148.07690	0.3
159.91257	0.2
160.07542	0.3
161.02975	0.3
161.07051	0.6
162.05466	0.3
173.07101	1.1
174.05515	1.0
177.02242	0.2
187.08530	0.2
191.08125	1.2
203.05286	1.0
219.07623	2.4
225.06412	0.3
233.09274	0.5
237.02704	0.6
237.08948	1.7
243.07506	0.4
250.09406	1.8
255.03593	0.3
261.08655	0.5
279.09677	1.0
339.05576	0.6
348.06662	0.3
357.06650	0.7
363.11783	0.3
381.11594	4.3
399.12585	100.0
400.12903	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	399.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01886	1.4
56.22598	1.3
57.03435	2.8
57.19816	0.9
59.20522	1.2
61.02920	2.7
68.05032	1.5
69.03436	6.7
70.02944	1.1
70.93708	3.2
73.02913	1.5
74.02435	4.2
80.05029	3.5
80.94353	1.1
81.03420	4.9
85.02914	19.7
87.04467	1.2
90.86791	1.0
91.05516	2.0
94.06581	1.6
97.02898	11.4
98.97581	1.4
108.04477	4.7
109.02882	3.1
110.06037	2.7
115.05476	1.7
117.05751	2.8
118.06542	9.1
120.04466	3.4
122.06048	1.8
127.03907	3.9
128.04982	2.0
130.06537	26.3
130.07518	1.6
132.04437	4.7
132.08112	5.4
133.05275	2.2
134.06021	5.2
136.06168	5.6
136.07594	6.3
142.06517	2.0
144.06946	1.2
144.08086	5.0
145.05176	2.7
145.07623	7.2
146.06013	100.0
147.06477	2.7
148.03932	10.6
148.07567	2.5
150.05533	3.1
151.42456	1.1
154.06560	2.5
156.08066	1.8
157.07661	11.2
158.06017	24.9
159.09166	2.1
160.07602	14.6
162.05516	4.4
163.08714	1.6
164.07077	2.6
167.05864	1.2
169.07649	2.8
170.06064	6.4
171.09235	3.0
172.07581	4.9
173.07062	8.3
174.05515	13.0
175.06284	1.5
175.08694	3.3
176.07109	3.6
178.04991	4.3
183.09238	2.1
184.07602	2.4
185.07048	2.5
186.05435	1.4
187.08708	3.6
188.07069	30.0
190.05054	2.5
191.08160	15.1
192.06541	2.4
197.07082	1.4
200.07132	1.5
201.06509	2.8
202.04948	4.8
203.08188	9.6
205.09671	1.2
212.07129	4.9
214.08768	1.2
215.08185	14.1
216.06586	3.7
216.08714	1.3
217.09850	1.8
219.07683	9.7
220.06125	13.5
220.08156	2.0
230.08142	2.5
231.07661	1.2
233.09267	4.5
237.02850	1.2
237.08727	39.2
242.08083	2.0
244.06044	2.8
245.09372	1.6
247.07166	1.9
249.08777	1.5
250.09358	2.5
254.08145	2.9
261.08664	5.1
262.07077	3.1
272.09039	1.7
279.09781	14.0
290.10309	1.9
292.11829	2.5
308.11401	5.3
315.09827	4.5
363.11917	8.6
381.12842	5.3
399.13037	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	399.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67181	0.4
53.03942	1.6
55.01870	2.0
55.05495	0.4
56.96566	1.1
57.03439	5.8
57.07046	0.5
61.02932	3.3
65.03969	0.5
65.36263	0.4
69.03432	10.0
70.06600	2.3
70.49665	0.8
70.50055	1.1
71.01341	0.9
71.04982	0.9
72.08157	1.6
73.02908	1.5
75.04474	1.0
77.03922	0.5
79.05495	0.8
81.03416	5.4
81.07037	0.6
83.04950	0.8
84.04485	0.6
84.08143	1.3
85.02908	28.0
86.09692	2.2
87.04465	2.1
91.03954	1.5
91.05505	0.9
93.07133	0.5
95.04965	1.3
97.02891	8.9
98.97580	0.9
99.04492	2.9
102.04684	1.2
103.05468	47.9
105.07033	1.5
107.04942	1.2
107.08583	1.0
109.02873	4.0
110.07162	0.5
111.04462	0.5
114.52968	0.5
116.07088	0.5
116.98591	0.7
117.05492	2.1
120.08070	0.6
127.03913	9.0
129.05478	1.4
129.10236	0.5
130.04161	1.3
131.04930	100.0
132.05232	1.1
133.06464	0.9
136.06259	0.6
137.05988	0.5
139.20755	0.5
141.06924	0.6
145.04945	3.2
145.06606	0.5
146.99648	0.5
147.04350	1.2
148.05188	12.1
160.05215	1.1
161.06003	3.6
162.06734	1.1
163.07545	51.4
164.08067	0.5
167.07243	0.5
170.09645	0.4
173.09584	0.4
175.07541	1.5
181.08629	0.7
199.08701	0.4
200.08926	0.5
201.07579	0.6
201.09114	2.7
204.07823	0.6
219.10251	0.6
220.76976	0.4
222.04501	0.5
235.10820	0.7
237.02800	0.6
237.11311	1.9
250.09534	1.0
267.08890	1.1
299.04153	0.5
339.83728	0.5
357.08478	0.6
399.11465	0.8
399.16525	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	399.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03946	1.2
55.01864	1.0
55.04619	0.4
55.05506	1.2
57.03436	1.3
65.03942	0.5
67.01853	0.4
67.05508	3.8
68.99786	1.9
69.03439	1.7
69.07069	0.9
69.57165	2.1
69.57572	0.8
70.06596	1.1
71.01360	0.8
77.03944	0.5
79.05495	16.7
81.03426	1.9
81.07066	2.1
83.01356	1.0
83.04973	1.1
85.02907	2.7
86.09710	2.7
91.05470	8.2
93.07039	3.3
94.28581	0.4
95.04958	6.4
95.08620	1.3
97.02900	1.7
97.06547	0.8
98.20892	0.9
98.97565	0.4
103.05485	1.2
105.04509	0.6
105.07029	4.8
107.04953	22.4
107.08590	12.0
107.09316	0.5
109.02934	0.8
109.06540	2.5
109.10145	0.9
111.00816	2.3
111.04486	0.6
115.05466	2.2
116.06264	1.0
116.07078	0.7
116.98673	0.4
117.07021	3.6
119.08620	1.4
120.08112	0.4
121.06514	1.8
121.10155	1.3
123.04445	2.8
123.08060	0.5
125.09616	0.9
127.03923	0.5
128.06183	0.6
129.07014	1.4
131.04936	0.9
131.08560	7.5
133.02837	0.4
133.06522	1.2
133.10182	1.1
133.40771	0.3
135.04410	15.9
135.08051	12.0
135.11691	0.7
136.07617	0.5
137.02341	2.3
137.05974	1.5
137.09642	0.6
139.03899	2.8
141.07005	1.8
143.11795	0.5
144.05688	1.1
145.05183	0.4
145.06509	2.5
145.10152	0.8
147.04430	1.6
147.08069	0.9
147.11693	0.7
149.06023	0.7
149.09634	1.9
151.03908	3.8
151.07433	0.4
153.01830	20.3
153.05450	5.5
153.06924	0.6
155.08539	0.4
157.06439	0.7
159.04420	0.7
159.08061	5.9
161.06013	1.8
161.09644	0.9
162.06761	1.2
163.03998	0.9
163.07639	0.7
164.51360	0.4
165.01831	3.2
165.05478	18.6
167.07031	5.5
168.22133	0.4
169.06450	0.7
173.05998	1.6
175.07573	1.9
177.05563	0.6
177.09079	3.8
179.07103	0.6
181.06490	0.5
183.02936	0.6
183.06537	3.4
185.05931	0.6
186.03146	0.6
187.03885	1.4
187.07532	6.0
188.04585	0.5
189.05414	4.4
191.10696	0.5
199.07518	0.8
201.05492	3.5
201.09131	0.7
205.08585	5.4
207.02950	0.6
210.70900	0.4
211.07510	0.7
213.05592	0.7
213.09090	0.6
215.07008	2.3
219.10110	2.7
225.05507	0.4
225.09067	0.6
227.06949	1.0
231.06479	0.8
237.11183	6.5
242.05768	1.6
243.06483	2.0
253.04970	1.3
253.08659	0.8
255.06607	1.4
257.04614	0.5
258.05237	0.6
263.07053	0.5
265.04959	0.4
266.05679	0.5
267.06534	0.7
269.04453	5.4
270.05157	3.8
271.05933	2.6
273.07321	0.5
281.04755	0.7
281.08078	3.3
285.04010	0.9
286.04865	0.8
292.07111	0.4
297.03998	1.0
298.04691	3.1
299.05569	2.4
299.08865	0.6
303.05151	0.4
309.07471	3.0
309.10641	0.4
311.05502	1.2
313.03418	1.4
322.04889	0.4
326.04263	1.1
326.07852	1.7
327.05002	1.7
327.08380	1.9
335.09207	0.9
337.06967	0.9
340.05826	1.1
355.08115	100.0
356.08441	6.5
363.08557	0.6
365.42786	0.4
381.09503	2.2
399.10721	36.2
399.19815	2.6
400.11127	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
55.05519	21.7
57.07071	5.6
59.27837	2.8
67.05506	29.1
69.03429	3.5
69.07074	27.8
71.08642	4.7
71.32525	2.5
71.50356	4.1
73.03151	2.4
79.05499	15.7
81.07056	64.1
83.04974	11.4
83.08608	12.0
84.74914	2.5
84.89609	2.8
85.06523	4.1
91.05489	13.5
93.07047	53.2
95.04996	3.0
95.08609	100.0
97.06519	4.5
97.10187	6.0
99.04444	6.2
100.47961	2.9
101.06022	7.1
105.07032	31.9
106.60101	3.0
107.08594	63.0
109.06586	3.3
109.10152	47.8
116.87512	2.5
118.84959	2.9
119.08569	40.7
120.98119	2.8
121.06541	2.7
121.10143	61.8
121.10952	4.3
123.08064	3.9
123.11697	19.1
129.05476	4.9
129.07014	3.3
131.08569	8.4
133.10149	31.5
135.08060	8.7
135.11693	64.9
136.59634	2.6
136.78035	2.8
137.13303	9.4
145.10141	8.4
147.11678	28.1
149.09718	3.5
149.13272	31.0
151.11150	4.3
153.09113	4.2
159.11681	16.1
161.13239	17.3
163.11153	7.3
163.14847	15.2
165.12776	3.0
173.13251	9.3
175.14838	9.0
177.12752	13.0
177.16380	6.0
181.12231	7.6
185.13173	3.7
187.14880	3.2
189.16420	14.5
191.14316	11.2
191.17955	79.8
191.19664	5.4
195.13841	24.7
201.16379	3.3
203.17920	23.1
205.19565	6.5
207.13824	12.4
209.15433	23.1
217.19518	18.4
231.20946	3.7
236.27892	3.4
248.08072	3.1
261.18582	4.0
318.88336	3.0
381.31219	7.3
399.10800	4.0
399.32724	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	399.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	23.2
57.07061	7.8
63.42352	2.5
65.03942	2.5
67.05500	25.1
67.56186	2.1
69.07068	32.5
71.08627	5.0
71.49696	2.6
79.05502	14.6
81.07055	60.0
83.04967	4.9
83.08615	14.6
85.06541	7.0
85.10155	2.5
91.05496	18.1
93.07038	48.5
95.04957	3.0
95.07999	5.5
95.08605	100.0
97.06519	3.3
97.10174	11.0
99.04448	9.0
101.06006	8.8
105.07018	33.2
106.32640	2.4
107.07897	5.2
107.08593	77.6
109.06529	5.1
109.10158	47.0
111.11732	2.8
117.07015	4.4
119.08585	45.9
121.10144	53.7
123.08115	3.5
123.11699	27.0
125.09657	2.9
131.08562	9.6
133.10127	43.0
135.08025	5.9
135.11693	72.1
137.13263	10.8
145.10112	12.5
147.11678	38.6
149.13260	36.9
151.14882	3.1
153.09166	2.8
159.11662	16.8
160.12393	2.9
161.13240	22.3
163.11197	6.0
163.14801	6.6
167.08450	2.7
171.11678	4.2
173.13303	7.9
175.14795	7.7
177.12746	16.0
177.16344	4.3
179.51828	2.5
181.12196	8.6
187.14781	4.4
189.16454	8.0
191.14272	5.8
191.17924	44.6
193.12265	5.9
195.13826	27.1
203.17934	31.0
205.19481	23.8
207.13753	13.5
209.15393	10.3
211.14789	3.3
215.17889	3.9
217.19476	15.4
221.15407	3.9
231.21175	3.1
235.16971	5.1
243.20949	5.7
247.16914	3.6
249.18478	4.0
257.22562	4.5
261.18515	4.5
289.21497	4.4
301.21439	3.6
315.23306	3.6
329.24756	3.3
346.88535	2.9
384.69861	2.6
399.27219	12.7
399.32513	80.8
400.33057	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	399.3257
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
55.05519	9.4
57.03428	1.9
57.07072	5.3
67.05503	13.1
68.18982	1.4
69.03446	2.4
69.07076	16.3
70.66402	4.4
71.04984	1.9
71.08629	4.1
72.14853	1.5
74.63004	1.5
78.53801	1.4
79.05500	8.2
81.07053	27.7
83.04991	1.6
83.08622	8.8
84.56999	1.4
85.06532	3.0
91.05489	7.9
93.07043	21.1
95.05027	1.6
95.08612	42.3
97.02917	2.0
97.06550	2.4
97.10182	5.0
99.04452	2.2
101.06008	3.1
105.07042	15.4
107.08596	29.5
109.06493	3.4
109.10156	20.1
111.11716	3.5
117.07042	5.1
119.08577	19.3
121.06525	4.0
121.10143	24.0
123.11732	10.9
129.07030	1.7
131.08568	5.6
133.10138	14.9
135.08060	2.7
135.11685	27.8
137.13275	5.8
144.09302	1.6
145.10103	6.9
147.11673	14.5
149.13252	13.2
157.10150	3.0
159.11697	11.2
161.09682	1.4
161.13228	7.5
163.14801	7.9
173.13274	4.7
175.11250	2.6
175.14847	5.0
177.12750	14.2
177.16341	2.3
181.12204	2.0
187.14842	3.7
189.12724	2.7
189.16440	6.1
191.14322	7.5
191.17957	27.1
195.13824	4.2
201.16444	2.4
203.17963	9.3
205.19633	3.2
207.13820	2.9
209.15404	7.9
217.16039	2.0
217.19608	7.4
229.07594	2.9
231.21123	1.6
245.19087	3.1
247.08559	2.8
343.28256	1.8
363.30603	2.2
381.31595	18.2
399.32602	100.0
400.33087	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	400.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
56.96553	0.4
57.03439	1.2
61.02916	0.5
67.51392	0.2
69.03434	3.0
70.06581	0.5
70.44733	0.8
71.01347	0.5
72.08140	0.4
73.02907	0.9
79.05476	0.4
81.03404	0.5
82.01463	0.2
83.04980	0.3
84.08125	0.3
84.97756	0.2
85.02907	3.1
86.03263	0.3
87.04449	0.6
92.96341	0.2
94.04043	0.3
97.02890	3.1
98.97590	0.4
99.04440	0.3
107.04972	0.3
109.02888	0.4
115.03941	0.9
118.52804	0.2
119.03529	0.6
123.04379	0.3
124.07645	0.2
127.03919	0.6
129.10135	0.2
130.06526	0.5
131.06917	0.3
133.04976	1.2
136.06183	100.0
137.04547	0.7
137.06496	1.1
145.04974	0.4
146.06020	1.9
147.06357	1.6
155.33600	0.2
158.05974	0.7
159.06369	0.4
167.07063	0.2
188.07066	0.5
189.07466	0.7
191.08212	0.3
192.08606	0.4
220.08029	0.3
221.06439	0.6
237.02849	0.4
237.08710	0.7
238.08949	1.3
245.06541	0.3
268.10391	7.8
269.10721	0.2
364.12186	0.5
382.13373	0.4
400.14441	4.2
401.04474	0.3
401.14182	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	400.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.6
55.01859	3.7
55.05521	7.8
57.03431	7.3
60.37795	3.3
60.50852	3.0
61.02924	6.0
64.49784	3.4
67.05486	4.6
69.03429	16.2
70.06622	3.9
71.04986	5.2
71.48691	3.9
71.49079	6.0
73.02918	4.7
79.05484	34.7
80.04995	3.7
81.03416	23.4
81.07051	24.5
82.06593	4.5
83.04971	6.8
84.08164	4.4
85.02916	32.9
91.05485	21.8
93.07034	7.3
95.04984	13.6
97.02908	17.1
97.06548	4.9
98.06042	4.0
99.04457	7.2
100.07590	4.8
103.05466	10.9
105.03393	4.5
105.07029	4.6
107.04957	100.0
108.04498	14.5
109.02885	7.5
109.06506	40.1
111.04446	6.5
112.07600	9.3
113.83300	3.5
114.05539	5.6
119.01928	3.5
119.04968	8.5
121.06547	7.5
122.06009	4.8
125.04750	4.2
126.05540	4.1
127.03953	9.4
127.67862	3.3
131.01923	4.6
131.04893	4.9
132.08090	3.5
133.06413	4.8
135.04391	5.2
136.07584	4.7
137.05980	35.3
138.40176	3.3
139.03911	26.7
140.07079	36.2
145.03517	7.1
145.04893	4.4
147.04408	6.1
149.05981	5.7
150.05539	6.3
153.05504	13.2
155.07018	4.5
161.02878	5.6
165.05498	42.4
165.06813	5.7
167.07037	41.2
168.06519	29.9
169.08598	12.2
173.03047	5.1
177.05502	9.2
178.08672	5.5
183.01405	6.1
185.02943	9.7
197.08199	6.9
203.03873	7.7
203.05551	10.5
207.01401	12.9
209.03017	6.9
209.08130	11.2
210.14943	4.3
211.04376	4.3
219.01492	6.6
219.08052	3.9
220.09676	25.4
221.04922	5.7
225.02541	4.8
235.04504	4.5
237.02266	5.1
238.07805	17.5
238.10680	42.2
238.57796	8.3
245.05043	5.8
250.10426	3.2
251.04131	8.4
263.04065	4.8
282.20697	6.2
287.05969	6.3
309.04578	13.6
335.06372	7.4
356.08704	9.0
368.24615	5.5
375.42822	3.7
383.15210	3.8
400.15646	4.4
400.26752	5.5
411.11563	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	401.009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87054	1.1
53.29736	1.0
56.96566	15.0
71.48727	2.1
71.95261	2.5
90.67553	1.1
98.97579	87.2
99.74269	1.4
99.97958	1.4
100.97182	1.8
116.98617	100.0
117.97833	1.2
117.98992	1.6
118.98240	1.7
118.99017	1.5
134.99655	75.8
135.99989	1.9
153.00696	16.4
158.01216	2.1
181.00424	1.1
190.95375	8.5
192.98724	2.0
208.96468	5.0
216.98761	1.4
219.02022	2.0
232.96390	6.9
234.99850	5.9
236.00018	1.4
236.99670	1.8
240.98761	4.7
250.97577	7.4
251.97906	1.6
252.97690	2.0
256.96448	11.9
258.97113	2.1
258.99753	43.6
259.99985	2.6
260.95947	2.9
260.99719	4.3
261.02969	2.9
263.02921	1.5
274.97498	77.0
275.97833	8.4
276.97534	17.6
277.00830	87.0
278.00967	5.9
278.97266	2.5
279.00742	8.8
280.01114	1.5
282.99960	6.5
284.99838	5.3
292.98550	63.0
293.98911	7.2
294.98578	12.8
295.01950	2.6
295.98407	1.7
300.97580	6.8
301.01065	22.3
302.01102	3.8
303.00830	9.8
304.00974	2.2
316.00043	2.7
316.98889	4.5
317.98730	2.0
318.98596	22.5
319.02191	2.2
319.98761	1.4
336.99786	2.1
358.97922	1.9
359.01678	3.6
361.09909	1.5
376.99084	11.3
383.00003	3.9
401.01053	17.4
418.98288	4.5
419.02429	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	401.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.8
55.05519	1.0
56.96561	2.8
57.03428	2.3
61.02930	1.1
65.03938	4.2
66.51712	0.7
67.05509	4.3
68.99797	1.1
69.03439	5.0
69.07053	2.1
70.06596	16.3
71.01363	1.0
71.04991	1.7
71.48962	1.2
72.08146	1.6
73.02917	1.0
79.05488	3.4
81.03432	4.0
81.07069	1.2
82.04198	2.1
84.04535	1.0
84.08149	3.6
85.02903	13.2
85.59231	0.8
86.09705	12.6
87.04436	1.0
91.05479	2.4
92.05836	0.8
93.03377	1.1
93.07041	1.0
95.01324	3.0
95.04968	4.3
95.06067	1.0
97.02885	5.1
97.06548	2.5
98.14998	0.9
98.97572	3.5
100.07633	3.2
103.05475	2.7
105.07050	1.8
107.04964	6.5
107.08601	1.6
109.02882	1.9
109.06528	1.7
109.10165	1.7
110.03639	2.7
110.04346	0.8
110.07174	1.1
111.04452	1.4
112.08740	2.3
113.07155	0.8
115.08733	1.3
116.07078	2.8
116.98630	3.6
119.04917	1.0
119.08579	1.3
120.08083	0.9
121.06514	3.5
123.00805	1.7
123.04433	1.3
123.08060	1.4
125.05970	1.9
127.03931	2.7
128.98589	1.0
131.04935	3.3
131.08571	0.9
132.05252	0.9
133.06538	0.8
134.99681	1.6
135.04407	1.5
135.08078	0.9
137.02371	1.3
137.05968	1.5
138.03148	1.1
138.09138	4.8
139.03932	5.6
141.01875	3.1
142.02701	1.6
144.13072	0.9
145.05020	1.0
147.04393	1.4
148.05078	1.0
149.05975	2.5
149.09630	1.2
151.03923	2.8
153.05469	1.8
155.07062	1.8
159.04379	0.8
161.05971	1.3
163.07565	2.2
167.03479	1.1
167.07079	7.0
171.06567	5.4
173.13287	1.7
175.11917	1.6
177.00737	2.5
177.05511	5.0
178.02625	1.1
179.07109	1.0
181.04955	100.0
182.05260	0.9
185.04291	2.6
191.14354	2.5
206.02061	8.0
207.06516	3.9
209.00818	3.7
209.08066	6.6
221.15640	0.9
223.06038	0.9
223.54610	0.9
224.03145	5.9
225.17006	1.0
237.02797	1.4
239.05540	24.3
239.08937	40.6
239.12639	1.5
249.07846	2.5
250.16052	0.8
253.04654	1.0
253.07120	2.5
257.08899	1.3
267.08789	0.8
288.20239	4.4
295.08105	1.5
299.04330	0.9
303.08749	1.8
305.06601	2.9
311.04333	1.1
315.08701	1.7
330.11084	2.5
339.10815	1.1
357.15234	3.0
383.09616	0.9
383.14963	1.5
383.20868	1.9
401.13913	17.8
401.17926	21.1
401.28677	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	401.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	4.8
57.94339	1.7
60.23688	1.9
69.03411	4.1
70.06579	3.0
71.48174	1.7
71.48570	3.3
76.81010	1.7
81.03415	2.1
82.24208	1.5
85.02879	6.5
85.07666	13.9
86.09697	2.2
97.02885	3.6
98.97575	6.1
116.07056	1.8
116.98600	3.9
117.78517	1.7
126.51631	1.9
134.99672	4.3
137.05971	4.6
146.99699	4.0
161.01291	2.3
175.02721	2.1
181.04982	7.3
189.00729	2.0
197.04922	2.1
203.05280	13.0
215.05820	2.7
219.01697	2.4
221.07773	1.8
237.02841	8.5
239.08881	13.2
248.03500	2.1
299.08005	5.3
341.09058	8.2
359.10199	2.6
362.68738	2.2
401.11951	100.0
419.12170	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	401.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.1
56.96538	1.7
61.02922	1.0
69.03423	2.1
70.06599	1.6
71.49154	1.6
85.02888	4.4
97.02862	3.0
98.97549	3.1
104.99258	0.9
112.99100	1.0
115.44234	0.9
116.98579	2.3
119.01897	2.7
127.03912	1.1
128.98711	1.1
131.01849	1.7
134.99530	1.2
136.06187	1.0
136.98514	0.9
143.01880	1.9
144.72354	0.8
151.67870	0.9
158.99654	1.2
161.02879	2.9
167.06944	1.2
173.02899	3.9
185.02946	3.1
197.02943	2.3
203.05421	6.1
219.01587	1.4
230.55563	1.1
237.02603	1.6
239.06194	1.3
239.08768	1.5
245.05061	8.8
257.02658	3.0
263.05972	2.0
275.06049	2.8
305.06741	1.1
401.11942	100.0
402.11908	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	401.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07230	0.4
53.03931	1.3
55.01856	1.8
55.05492	1.1
56.96555	0.7
57.03432	0.6
65.03920	1.3
67.05505	2.4
68.99787	1.1
69.03433	0.5
69.07054	1.1
70.42780	1.2
71.04997	0.4
77.03918	0.6
78.04681	0.4
79.05486	6.2
80.08643	0.4
81.03410	1.2
81.07048	2.2
82.28170	0.4
83.08606	0.6
85.02888	0.5
91.05477	5.2
93.07056	2.9
93.07545	0.5
95.04963	19.1
95.08599	2.1
97.06516	0.8
100.07604	0.5
103.05466	7.1
105.03351	1.4
105.04503	0.8
105.07030	16.6
107.04958	14.1
107.08583	1.4
108.02095	16.7
109.02871	1.1
109.06508	1.0
109.10153	1.5
115.05451	3.8
116.06232	1.0
117.07045	0.6
118.04156	1.7
119.04944	4.5
119.08556	1.1
120.05679	0.6
121.02872	0.9
121.06512	8.2
121.10143	0.9
123.04423	8.0
123.08027	0.9
131.04912	3.5
131.08559	0.5
132.05675	0.4
133.02844	3.9
133.06487	9.6
133.10060	0.5
134.07182	0.7
135.04379	1.5
135.08058	5.1
137.05954	2.0
138.09067	0.6
143.04889	0.6
145.06419	0.7
145.10103	0.8
146.03671	0.6
147.04384	5.2
147.08011	0.7
149.02347	3.9
149.05960	2.6
150.03082	0.5
150.06720	0.7
151.03897	29.8
151.07478	3.0
152.04202	0.9
153.05473	2.3
155.08623	0.4
159.04387	0.4
159.11726	0.6
161.02336	1.5
161.05983	3.9
162.03152	1.1
162.06682	0.8
163.03909	4.2
163.06166	0.7
163.07536	13.1
165.05484	2.2
165.09129	1.5
166.02643	0.6
167.07033	12.9
167.08469	0.7
173.13283	0.4
175.03871	0.8
177.02014	0.5
177.05463	14.3
177.08997	0.4
178.06221	1.7
179.03383	100.0
180.03716	2.1
180.07817	3.7
181.04945	0.6
181.08557	1.5
190.02693	0.4
191.03348	1.5
191.06979	0.8
193.04965	1.9
193.08601	21.6
194.02141	4.7
194.09377	48.4
195.10153	35.4
195.11592	0.8
196.10558	0.9
207.02879	91.7
208.03311	2.2
209.04449	9.6
209.08029	3.5
210.08820	3.3
218.02037	0.7
219.06573	0.6
233.04428	14.5
234.04868	0.6
247.06030	1.8
248.05562	0.5
315.74637	0.4
347.08609	0.4
359.11325	0.5
383.22125	0.9
401.12286	50.4
401.23343	1.4
401.31976	1.7
402.12692	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	401.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01868	1.6
55.05509	2.8
57.03436	2.1
57.07068	1.5
57.09050	1.0
61.02906	1.2
63.85308	1.1
65.03945	2.3
67.05512	4.9
68.99825	1.0
69.03426	4.1
69.07071	4.9
69.97272	5.2
70.06594	0.9
71.04983	3.1
73.02908	1.0
74.16125	0.9
79.05496	9.7
81.03445	2.0
81.07056	9.8
83.04963	1.6
83.08610	2.5
85.02897	5.1
85.06539	1.0
91.05489	6.5
93.07043	8.6
95.04971	20.2
95.08088	1.0
95.08580	5.8
97.02905	1.7
97.06492	1.6
97.10172	1.4
98.97562	1.0
103.05463	6.0
105.03399	1.6
105.07025	19.9
106.04132	1.1
107.04943	16.7
107.08583	5.0
108.02100	16.9
109.06500	1.7
109.10150	5.8
111.04401	1.9
111.08082	1.4
111.11739	1.1
115.05434	3.7
116.06210	1.4
117.07025	2.0
118.04173	1.4
119.04947	3.4
119.08583	6.5
121.02855	1.3
121.06512	9.6
121.10130	4.1
123.04412	8.4
123.08039	1.6
123.11707	4.1
125.06003	1.4
127.03893	1.7
127.11198	1.5
129.06956	1.5
131.04916	3.6
131.08571	2.2
133.02841	4.9
133.06485	9.8
133.10146	3.3
135.04417	2.2
135.08057	3.9
135.11682	4.4
137.05978	1.9
137.09665	2.2
138.09181	1.1
143.08580	1.2
144.73528	1.0
145.10182	1.9
147.04402	5.1
147.08025	1.3
147.11682	3.8
148.14095	1.1
149.02318	3.8
149.05981	4.2
149.13281	3.3
151.03903	32.6
151.07553	3.2
153.05450	1.4
157.10136	3.4
159.08035	1.3
159.11719	2.8
161.02284	1.2
161.05948	5.1
161.13263	1.4
162.06815	1.3
163.03926	4.4
163.07547	14.5
165.05482	2.7
165.06847	1.3
165.09120	2.7
167.07022	20.4
177.05457	14.7
178.06287	1.9
179.03392	100.0
179.06973	4.3
180.03706	1.5
180.07837	3.8
181.04979	3.8
181.08586	1.9
183.55714	1.0
184.36623	0.9
191.03445	1.9
193.04910	3.1
193.08589	22.6
194.02129	3.1
194.09383	48.9
195.10158	35.8
195.11884	2.5
197.13367	1.5
203.17992	3.3
207.02890	94.7
208.03313	2.0
209.04456	7.6
209.08096	4.2
210.08919	2.5
217.08565	1.8
221.18993	4.0
223.20589	1.3
233.04414	16.1
233.19035	1.5
247.05905	1.6
295.06042	1.1
315.08588	3.5
330.10895	2.6
383.14960	3.5
384.65860	1.2
401.12219	49.9
401.16235	2.3
402.12686	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	401.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
60.05656	1.3
62.94828	0.5
65.03940	0.9
67.05515	0.9
69.03448	0.9
70.06594	5.9
70.55618	1.6
72.08161	0.4
73.02943	0.5
81.03419	0.6
81.07058	0.6
84.08160	1.1
85.02925	2.5
86.09715	2.0
91.05466	0.7
93.07027	0.6
95.01321	0.6
95.04983	1.7
97.02905	1.1
97.06464	0.5
98.97598	1.1
100.07623	0.6
103.05431	0.5
107.04985	2.3
109.02913	0.5
109.10213	1.0
109.95709	0.5
110.03676	0.6
112.08731	1.0
116.07095	0.9
118.20336	0.5
120.08188	0.5
121.06550	0.7
123.00825	0.6
123.04506	0.5
131.04942	1.1
136.98036	0.4
138.09151	1.1
139.03865	0.8
140.04681	0.5
151.03960	0.7
157.07083	0.5
165.05266	0.5
167.07080	2.0
171.06519	0.7
177.05557	1.1
181.04968	19.2
181.06575	1.0
183.05008	0.9
185.04201	3.1
206.02080	0.8
207.06509	0.9
209.08061	1.3
214.58508	0.5
219.07120	0.5
225.17056	0.6
237.02763	0.6
239.08904	100.0
240.09245	2.0
257.08615	0.8
259.06500	0.9
275.09906	0.6
281.08774	0.5
299.09650	0.6
305.06430	0.7
315.64020	0.5
319.61206	0.7
327.09412	0.5
345.10159	0.5
355.21497	0.5
401.14035	42.6
401.28741	5.3
402.14517	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	401.1436
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid methyl ester
Peak:m/z	Relative Intensity
51.48595	2.0
53.03938	5.0
55.01852	2.2
59.04987	8.0
67.05492	9.5
69.03410	7.5
69.69583	10.6
70.06564	2.5
71.01331	3.4
71.04966	5.4
72.08149	4.6
75.25076	2.3
79.05490	19.3
80.78677	2.3
81.03409	4.9
81.07059	4.6
83.04980	11.7
84.08131	2.6
85.02908	6.1
86.09692	7.9
87.04464	2.6
91.05475	7.8
93.03407	2.9
93.06506	2.4
93.07048	8.5
95.04969	31.8
97.02875	10.3
100.07600	2.3
103.05448	8.9
105.07010	3.5
107.04953	67.7
109.02879	67.2
109.06517	6.0
111.04451	12.4
121.06510	16.9
123.04428	7.7
125.02366	14.6
125.72123	2.0
127.03921	3.8
129.05516	4.1
131.04935	7.8
135.04417	40.8
136.73750	2.1
138.09018	2.2
139.03902	48.8
141.05460	5.6
149.05984	24.2
151.03906	20.1
153.05478	7.4
157.04939	6.7
159.04472	3.7
163.07539	2.0
165.05481	43.2
167.03372	3.7
167.07021	16.8
170.29503	2.1
175.06064	3.5
177.05473	66.7
181.04907	2.8
190.25873	2.1
191.07036	2.5
193.07089	2.1
195.06563	22.7
202.05045	2.0
203.05492	4.0
209.08081	26.5
210.84544	2.2
217.07027	2.8
220.25101	1.9
227.09100	3.1
233.44008	2.6
239.08905	100.0
257.07181	2.3
280.02585	2.2
280.06470	2.2
351.10974	3.3
369.11819	11.4
383.20154	2.5
401.13815	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	401.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65951	2.1
53.03959	3.5
54.24176	2.1
64.89471	2.2
67.05487	4.3
69.03460	5.2
70.06604	5.4
71.49416	4.6
72.08150	5.2
79.05494	16.7
79.39780	2.3
80.47054	1.9
81.03407	3.8
81.07059	4.8
83.04969	3.2
84.08150	2.8
85.02911	10.5
86.09702	14.6
89.01487	2.3
91.05488	9.4
93.07023	2.6
95.04979	9.8
97.02921	5.2
100.07591	5.1
103.05470	4.1
105.07049	3.4
107.04961	36.9
111.08116	2.5
115.05467	3.8
116.06230	3.2
117.07083	3.4
119.08588	2.4
121.06503	6.4
123.04443	4.5
124.05186	3.2
125.06004	5.2
127.03944	2.7
129.07016	6.2
131.04984	2.8
131.08577	7.4
131.41774	2.4
137.06015	3.0
138.09190	2.8
139.03912	8.6
141.07042	3.4
144.05727	8.1
145.06477	4.7
149.06013	4.8
153.05486	4.8
156.05685	9.6
157.06519	2.7
159.08066	14.4
161.06029	2.6
163.04016	3.5
165.05544	7.3
166.05867	3.0
167.07042	100.0
173.05951	4.5
177.05560	7.8
181.04990	6.8
181.08595	6.2
184.05246	4.6
186.06769	3.4
187.07542	9.8
190.07809	3.0
191.08591	3.1
193.08630	2.6
195.06555	4.7
202.06229	5.5
202.07941	4.3
203.08502	5.2
205.06689	4.7
205.08636	12.7
207.06529	7.5
208.05164	15.2
208.09013	2.6
209.08020	4.4
210.06801	3.7
217.08592	36.0
218.07230	4.9
219.08069	6.2
219.10156	7.0
220.08759	3.8
221.05928	6.5
229.08664	3.7
231.08018	5.3
232.08971	3.3
233.06085	2.6
233.09637	2.7
235.07626	3.9
245.09726	3.8
246.06763	4.0
247.07516	12.0
247.09721	22.3
248.08371	8.8
249.05418	4.7
249.09267	3.3
254.05809	6.8
255.06589	3.6
259.07559	3.4
260.08466	3.8
261.09085	5.2
262.09869	3.7
263.10748	7.7
264.07895	6.5
265.08704	6.9
267.06583	6.8
268.03558	3.9
269.08133	14.5
271.09622	6.4
272.06705	5.5
275.06989	7.6
276.07861	7.9
277.08676	5.2
279.10159	9.2
282.05341	2.8
282.08963	8.7
290.09354	4.9
290.28915	2.5
291.10245	11.5
292.07602	3.0
293.08063	9.6
297.07791	3.5
299.09256	3.1
307.09656	9.5
308.10455	7.9
310.08411	7.4
315.08627	54.4
319.09698	6.6
321.07697	3.2
322.08142	2.5
323.12799	13.6
328.09213	3.2
330.10989	71.1
331.11789	7.1
336.10080	4.7
337.10699	7.3
339.12289	11.3
343.11710	22.3
351.12183	23.9
352.12885	3.9
353.10138	5.9
368.12619	7.9
369.13394	4.1
371.14926	5.9
383.14911	51.7
383.19946	3.7
401.17560	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2186
Annotation	Cinncassiol B
Peak:m/z	Relative Intensity
52.29551	0.5
55.01875	0.6
56.96572	1.3
65.03947	0.8
67.04256	1.2
68.05008	0.5
69.03426	1.2
70.06592	3.4
71.04995	2.1
71.48582	0.6
72.04501	0.5
72.08154	1.6
79.05489	1.0
80.05043	0.8
81.03423	0.9
82.06578	4.9
84.08150	1.6
85.02909	2.7
86.09707	0.9
91.05479	1.0
93.07052	1.0
95.04972	5.6
95.08575	0.5
96.08152	0.9
97.02911	2.6
98.97576	1.0
100.07619	65.6
101.07926	0.7
104.51610	0.4
106.06614	0.6
107.04980	0.6
108.08062	0.5
108.58156	0.5
109.06515	0.6
110.06040	1.3
110.09681	7.3
111.04504	0.5
112.85345	0.4
116.07066	0.5
116.98613	0.6
119.08537	0.5
120.08095	2.4
121.06506	31.8
121.88411	0.5
122.06821	0.9
122.09626	0.5
127.03924	1.0
129.10231	0.6
132.40503	0.5
134.09653	0.8
135.09241	0.8
137.05956	0.5
138.09143	100.0
139.03908	1.2
139.09482	1.7
143.07372	0.5
145.04962	0.9
146.09692	0.7
147.04430	1.1
147.05511	6.9
150.09129	0.8
158.99576	0.5
159.10313	0.5
163.03932	0.6
163.12303	1.7
164.10733	2.1
167.07033	0.5
168.06422	0.5
176.10677	1.5
181.04973	2.0
181.13455	0.9
184.11079	0.5
186.66597	0.4
187.05058	0.5
190.12274	0.7
201.13803	1.2
202.12292	0.7
209.08138	0.5
219.01666	0.7
219.14958	1.3
237.02802	1.1
239.08888	9.4
240.09242	0.5
284.13934	24.7
285.14377	1.0
317.70932	0.5
318.26340	0.5
330.10901	0.8
348.17194	0.5
365.19757	3.5
366.18326	1.8
383.20795	39.7
384.21066	1.8
401.13663	7.6
401.21967	6.4
419.77286	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	401.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51623	9.1
53.03956	10.1
55.01868	15.4
55.05511	37.0
57.03431	14.7
57.07086	13.1
57.63788	8.1
59.04984	8.4
67.05505	38.0
69.03431	26.0
69.07066	52.2
69.43474	73.4
71.04992	26.3
74.34181	9.6
79.05095	7.9
79.05483	52.3
81.03425	11.8
81.07058	85.7
83.04971	16.5
83.08620	23.8
85.02905	32.7
85.62805	8.1
86.16293	10.5
90.23736	7.6
91.05486	33.1
93.07040	70.0
95.04961	30.5
95.08616	70.8
97.02876	18.2
97.06516	23.3
97.10143	12.4
98.21523	10.5
98.97612	12.4
99.08056	9.2
105.07039	44.4
107.04951	36.1
107.08591	73.4
109.02853	8.6
109.06477	7.9
109.10139	61.7
111.04465	9.8
111.11743	11.3
117.07036	9.1
119.08569	64.2
121.10150	32.6
123.04400	11.8
123.08065	13.1
123.11676	41.6
124.05234	13.2
125.09654	20.0
127.03936	10.5
127.11237	10.7
129.07042	21.0
131.08569	25.8
133.06514	8.5
133.10132	34.7
135.11702	70.9
137.06035	9.5
137.09601	13.2
137.13260	18.1
143.08540	11.7
143.10721	19.5
145.10162	20.3
147.11713	23.7
149.05946	15.4
149.13271	31.7
151.11153	9.4
153.12776	16.6
157.10114	14.4
159.08058	23.1
159.11685	19.7
161.13281	20.1
163.11188	11.1
163.14748	10.5
167.07043	90.2
171.11800	12.9
181.04970	19.0
183.11761	14.2
195.06572	11.1
203.17990	30.2
205.08647	17.2
205.19533	24.4
208.05067	16.2
217.08626	13.7
218.07373	10.8
219.08179	14.3
219.17336	8.9
221.19048	23.3
236.04712	10.7
247.07428	10.9
247.09695	18.8
269.08179	11.8
271.09595	12.5
282.08865	12.1
283.09113	11.9
285.10120	19.9
293.08228	14.5
303.03894	10.2
307.09607	17.6
311.12161	9.2
315.03915	20.8
315.08658	52.1
321.07571	9.5
323.12790	10.7
329.20969	10.6
330.10944	68.4
331.11322	12.3
339.12061	12.7
343.11887	30.8
347.22205	17.0
351.12296	34.1
357.08728	13.6
365.23560	10.3
383.14832	62.4
383.24329	25.2
401.11331	100.0
401.16086	14.4
401.25882	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	401.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.35295	0.9
55.01861	2.4
55.05499	3.1
56.83393	0.7
57.03433	2.0
57.07070	1.5
58.48030	0.7
65.03925	1.3
67.05503	4.6
69.03412	2.8
69.07074	4.6
71.04993	2.2
71.39034	0.7
78.04735	0.7
79.05489	9.5
81.03409	2.1
81.07058	7.8
83.08608	1.0
85.02906	6.2
86.66285	0.8
91.05481	8.4
93.03403	0.8
93.07038	7.5
95.04965	21.9
95.08617	5.8
96.05308	0.8
97.02874	1.6
97.06534	2.4
97.35919	0.6
99.08096	1.4
103.05471	5.8
105.03422	1.6
105.04478	1.1
105.07039	22.4
106.04170	0.9
106.07359	0.8
107.04965	14.1
107.08595	6.6
108.01382	1.3
108.02093	17.0
109.02879	1.1
109.06465	1.2
109.10141	6.6
110.61243	0.7
111.04420	0.7
111.11692	0.9
115.05470	4.4
115.24754	0.7
116.06211	0.9
117.07001	1.0
118.04141	2.1
119.04965	4.9
119.08556	6.7
120.05579	1.0
121.02828	1.2
121.06511	11.1
121.10150	3.7
123.04429	10.4
123.08055	1.7
123.11724	3.7
125.05988	0.8
125.09597	0.9
127.03940	0.9
127.11189	1.7
131.04951	3.7
131.08577	1.6
132.05618	0.7
133.02846	4.9
133.06497	9.6
133.10109	2.8
134.07237	1.1
135.04407	2.4
135.08084	4.6
135.11713	4.6
137.05965	2.7
137.09618	1.8
137.13257	1.4
143.08554	1.3
143.10724	0.7
144.05728	0.8
145.04962	0.9
145.06467	0.8
145.10097	2.8
147.04402	5.3
147.08034	1.4
147.11685	3.5
149.02359	4.0
149.06003	2.5
149.13281	2.7
150.03140	0.9
151.03905	32.8
151.07542	3.7
151.11208	1.6
153.05414	2.3
153.12692	1.0
157.10136	3.0
159.08061	0.9
159.11694	3.8
161.02338	1.6
161.05983	5.2
161.13287	1.3
162.03197	0.9
163.03896	5.5
163.07553	15.6
163.14781	0.9
165.05478	2.4
165.09126	2.0
167.07042	18.8
171.08095	1.1
171.11681	2.3
172.96204	0.8
173.13301	1.0
175.07646	1.0
177.05476	14.7
177.09099	0.8
178.06166	1.7
179.03392	100.0
180.03709	5.1
180.07814	3.0
181.04951	1.2
181.08534	1.7
191.03378	1.7
193.04973	1.6
193.08618	25.3
194.02144	4.5
194.09378	47.9
195.10162	37.0
196.10483	1.5
199.14732	0.9
201.12674	0.8
203.17969	3.2
205.19498	2.0
207.02888	92.2
208.03256	4.4
208.08122	0.8
209.04430	9.2
209.08092	3.3
210.04694	0.7
210.08893	3.2
217.08624	0.8
221.19006	3.3
231.10384	1.0
233.04442	13.2
233.18999	1.9
243.13847	1.0
247.05891	1.2
252.85339	0.8
263.07364	0.7
296.22452	0.7
315.04251	1.2
315.08539	1.8
330.11212	1.3
347.22318	1.4
361.00336	0.7
383.14944	1.8
401.12213	46.5
402.12582	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	401.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.2
55.05510	22.2
57.07087	42.5
67.05515	36.4
69.03423	17.7
69.07063	38.4
69.30555	59.2
71.04987	18.2
71.08619	30.7
79.05480	23.4
81.03426	36.0
81.07056	59.6
83.08610	20.5
85.02903	19.9
85.10184	11.8
90.37231	5.8
91.05473	52.3
93.07047	60.5
95.04971	11.9
95.08595	60.1
97.02914	18.5
97.10173	7.1
99.04462	10.6
105.07034	95.1
107.08598	45.9
109.02882	16.2
109.06516	70.2
109.10156	35.0
111.08124	7.5
111.11787	6.5
117.07024	21.3
119.08589	100.0
119.52387	5.8
120.75295	5.1
121.10159	24.8
123.08079	10.6
123.11695	11.4
127.03941	21.2
128.06255	12.5
129.07013	19.9
130.07788	15.9
131.08565	72.5
133.10132	96.3
135.08090	17.0
135.11716	22.7
137.09634	10.2
137.13197	7.5
141.07024	8.6
142.07805	28.3
143.08580	39.6
144.09357	12.6
145.04973	7.0
145.10124	92.5
147.11700	17.8
153.55756	5.4
155.08572	19.1
156.09328	18.6
157.10136	67.0
158.10913	20.7
159.11723	40.4
160.93819	5.7
161.13196	7.8
167.08592	14.4
168.09378	9.7
169.10066	29.1
170.10899	10.2
171.11604	32.6
172.12390	6.3
173.13242	49.5
175.14861	23.3
179.08504	8.7
180.09338	11.8
181.10135	18.1
182.10893	8.2
182.99728	5.8
183.11729	25.5
184.12482	6.6
185.09546	6.4
185.13261	17.4
187.14856	50.7
192.09430	6.5
193.10133	13.0
194.10970	12.5
195.11697	27.4
197.13255	20.9
199.14854	19.9
201.12753	6.2
201.16603	9.0
206.11002	6.4
207.11757	14.0
209.13248	32.1
211.14845	14.2
221.13301	21.5
223.14803	13.3
235.14835	9.6
237.16426	9.7
239.23827	17.9
251.17845	8.2
260.15344	6.7
261.16504	8.7
265.19525	7.3
303.21014	6.2
383.28088	17.4
383.33347	7.5
401.27069	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	401.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.05509	15.4
57.03431	2.7
57.07076	100.0
59.04961	1.1
61.02939	1.6
61.64032	1.4
65.69843	1.4
67.05505	37.3
69.03429	22.8
69.07069	25.0
69.31139	10.0
71.04981	3.8
71.08633	74.0
73.02914	3.1
75.55439	1.4
79.05484	3.4
81.03421	22.9
81.07056	49.4
82.67638	1.3
83.08620	36.9
85.02904	31.0
85.06559	2.2
85.10182	39.2
87.04484	1.8
93.07053	4.6
95.08608	72.6
97.02888	15.4
97.10169	17.7
98.21513	1.7
99.04457	9.8
99.11727	5.4
105.06998	1.6
109.02882	10.6
109.10164	32.3
111.11721	4.9
113.13293	1.6
119.08604	2.6
121.10165	1.4
123.11716	17.9
125.13271	4.3
127.03917	22.0
135.11685	2.3
137.13272	8.3
139.14824	2.0
145.04947	9.3
145.10155	1.8
151.14842	4.5
165.16386	3.4
179.17842	1.6
194.53232	1.4
221.22633	4.6
239.23697	41.6
257.24753	4.1
298.27295	1.6
341.26843	1.6
379.25372	1.2
383.28125	11.2
401.28259	2.0
401.33939	1.4
401.38373	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	401.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.1
55.01851	17.1
55.05502	17.7
57.03436	5.9
57.06810	4.8
57.07073	79.6
57.49706	3.7
67.05496	23.9
69.03426	31.1
69.07049	18.8
69.57369	4.3
71.04980	10.9
71.08310	4.0
71.08630	49.6
71.50277	4.7
71.50661	4.2
73.02907	7.7
76.74683	4.1
81.03418	50.2
81.07051	32.1
83.08631	22.1
85.02897	15.4
85.10172	25.0
91.05466	4.6
93.07049	5.6
95.08604	53.7
95.40058	4.1
97.02897	67.8
97.10155	11.4
99.04454	76.2
109.02870	42.2
109.10136	25.7
111.11705	4.9
119.08615	5.3
123.08052	4.6
123.11697	12.9
127.03911	100.0
127.29609	4.2
133.10121	5.4
135.11734	4.6
145.04926	11.5
151.14946	5.3
221.22723	4.2
239.23668	50.5
322.50470	4.3
358.37198	4.4
383.27695	11.0
386.53888	4.3
401.26511	16.8
401.31671	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	403.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76388	0.5
54.08037	0.6
55.05498	0.7
57.03403	2.4
60.25161	0.6
61.02914	0.9
69.03409	2.6
69.28510	0.6
69.41978	1.0
69.42379	4.0
70.06569	1.0
72.08130	0.8
73.02918	4.3
81.03415	1.0
84.08121	0.7
85.02917	5.3
86.09702	4.2
91.05486	13.2
97.02871	4.1
105.06970	1.0
115.03904	2.6
119.04953	1.2
124.27593	0.6
127.03903	1.1
132.92403	0.6
133.04938	1.0
145.04913	1.9
147.04399	1.2
167.06891	1.2
175.03906	1.5
185.04247	3.0
203.07468	0.6
207.06476	2.9
225.07581	1.2
241.10477	92.6
242.10800	2.2
275.71454	0.6
358.23553	0.6
403.15720	100.0
404.15973	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	403.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.01868	1.6
59.05000	15.7
61.02921	1.9
62.18264	1.5
67.05497	6.6
69.03435	5.7
71.01358	3.2
71.04988	4.6
71.38420	2.6
75.59214	1.4
79.05499	22.5
81.03418	5.7
81.07067	3.2
83.04987	4.3
85.02898	10.7
86.09702	3.8
87.04472	1.5
91.05476	6.3
93.07060	10.1
95.04967	26.1
97.02891	6.1
103.05458	10.1
105.03411	2.8
105.06995	2.7
107.04218	3.0
107.04960	81.7
109.02882	100.0
109.06513	9.0
110.03185	2.4
111.04451	3.2
121.06507	22.1
123.04442	13.7
123.08070	1.6
125.02357	2.2
127.03923	2.2
131.04976	7.3
135.04451	1.4
137.05943	3.6
139.02849	2.1
139.03903	30.4
139.07515	8.3
141.05437	2.7
149.05986	32.2
151.03899	22.5
157.04900	2.2
159.04384	4.7
165.05479	88.1
167.07019	11.7
171.06552	4.3
177.05473	97.8
181.08603	1.8
183.06531	1.7
191.07053	4.5
195.06538	7.9
209.08090	70.1
223.09628	3.7
241.10649	9.4
287.48752	1.4
403.15616	5.2
407.09589	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	403.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.01868	1.6
59.05000	15.7
61.02921	1.9
62.18264	1.5
67.05497	6.6
69.03435	5.7
71.01358	3.2
71.04988	4.6
71.38420	2.6
75.59214	1.4
79.05499	22.5
81.03418	5.7
81.07067	3.2
83.04987	4.3
85.02898	10.7
86.09702	3.8
87.04472	1.5
91.05476	6.3
93.07060	10.1
95.04967	26.1
97.02891	6.1
103.05458	10.1
105.03411	2.8
105.06995	2.7
107.04218	3.0
107.04960	81.7
109.02882	100.0
109.06513	9.0
110.03185	2.4
111.04451	3.2
121.06507	22.1
123.04442	13.7
123.08070	1.6
125.02357	2.2
127.03923	2.2
131.04976	7.3
135.04451	1.4
137.05943	3.6
139.02849	2.1
139.03903	30.4
139.07515	8.3
141.05437	2.7
149.05986	32.2
151.03899	22.5
157.04900	2.2
159.04384	4.7
165.05479	88.1
167.07019	11.7
171.06552	4.3
177.05473	97.8
181.08603	1.8
183.06531	1.7
191.07053	4.5
195.06538	7.9
209.08090	70.1
223.09628	3.7
241.10649	9.4
287.48752	1.4
403.15616	5.2
407.09589	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	403.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77221	1.4
53.03938	3.8
55.01870	3.0
57.03419	1.8
59.04997	15.7
60.19505	1.7
63.74703	1.6
67.05490	5.9
69.03409	4.5
71.01344	2.4
71.04983	5.0
71.20391	3.6
79.05493	21.9
81.03398	5.7
81.07061	3.0
83.04956	3.7
85.02905	11.3
86.09683	2.2
91.05460	5.1
93.07035	8.9
94.37784	1.5
95.04967	25.9
97.02889	4.5
97.23467	1.6
103.05460	10.5
105.03373	2.1
107.04221	3.6
107.04954	70.3
109.02879	100.0
109.06494	12.4
110.03239	2.0
111.04443	4.3
112.57400	2.1
121.06513	23.9
123.04430	8.8
125.02421	1.8
127.03912	2.5
131.04912	5.4
135.04414	3.2
137.05986	4.1
139.03903	34.2
139.07512	7.7
149.05974	31.5
151.03909	23.1
159.04399	4.1
163.07445	2.0
165.05487	80.7
167.07007	11.5
171.06508	5.6
177.03917	4.4
177.05473	92.9
178.05762	1.9
181.08568	3.8
191.06998	5.4
195.06543	4.9
209.06125	3.4
209.08098	67.0
215.77966	1.6
223.09628	3.0
241.10443	4.5
281.00391	1.7
371.88681	1.8
403.15323	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	403.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05509	1.0
53.03947	4.3
55.01867	2.6
55.05515	1.1
57.03424	1.9
59.05001	16.5
65.03957	1.6
67.05499	5.8
69.03434	6.0
70.06608	1.0
71.01347	3.3
71.04986	5.5
73.62513	1.0
79.05500	21.8
81.03417	4.1
81.07039	1.3
83.04982	4.0
85.02898	12.5
86.09722	1.4
87.04466	1.2
91.05489	6.9
93.07056	8.5
94.04210	1.4
95.04976	23.7
97.02881	4.1
103.03943	2.1
103.05464	11.3
105.03382	1.5
105.04512	1.8
105.07012	2.4
107.04960	80.0
109.02882	100.0
109.06515	11.6
111.04456	4.5
111.08083	1.3
121.06507	19.5
123.04443	12.4
125.02371	2.6
127.03899	2.1
131.04929	6.6
133.02872	2.3
133.06476	1.2
135.04425	1.4
135.12973	1.0
137.05977	4.6
139.03908	31.8
139.07545	7.9
141.05382	1.2
145.04994	1.3
147.04408	1.2
149.05989	37.7
150.58682	0.9
151.03889	20.3
157.04953	3.3
159.04408	3.5
163.07468	1.1
165.05482	90.3
167.07036	12.9
171.06523	2.9
177.05475	92.0
178.05760	1.2
181.04945	3.9
181.08577	2.9
183.06552	3.6
191.07022	4.8
195.06573	6.3
195.08139	1.0
209.08098	68.5
221.08104	1.0
223.09711	2.3
223.13235	1.2
241.10707	2.3
241.14108	1.0
356.23209	1.0
403.18417	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	403.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
53.03939	4.4
53.30185	1.0
55.01867	1.8
57.03435	1.8
59.05002	17.4
61.02914	1.6
66.42422	0.9
67.05499	5.5
69.03421	4.9
69.67142	7.2
71.01350	2.3
71.04984	5.6
74.73809	1.2
79.05495	23.6
81.03405	5.1
81.07062	3.6
83.04972	2.8
85.02904	12.3
85.06537	1.0
86.09703	2.2
87.04463	1.2
91.05492	6.3
93.07048	8.8
95.04964	25.3
97.02889	3.3
103.03906	1.5
103.05474	9.2
107.04956	78.5
109.02876	100.0
109.06522	13.8
111.04436	3.6
111.08101	2.1
121.06494	22.5
123.04442	12.2
125.02387	1.3
127.03902	2.6
131.04915	7.2
135.04401	2.6
135.07993	1.1
137.05965	4.2
139.03908	28.5
139.07516	5.0
141.05461	1.8
145.04953	1.9
149.05984	32.4
151.03889	23.6
157.04919	1.4
159.04425	4.5
163.07593	1.7
165.05475	82.6
166.05780	1.4
167.07018	11.2
171.06552	1.8
177.05469	95.9
178.05780	1.7
181.04922	1.9
181.08568	2.3
183.06554	2.9
191.07004	3.3
195.06541	5.6
209.08083	63.4
223.09621	3.0
241.10654	3.2
253.87476	1.1
403.35242	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	403.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01865	1.5
55.05503	1.2
56.96560	1.0
57.03429	1.3
65.03935	0.9
66.04736	0.6
67.05514	3.2
69.03437	0.8
69.07053	2.7
69.99651	3.0
73.13422	0.5
78.04650	0.6
79.05495	7.6
80.05855	0.6
81.03352	0.6
81.07040	2.4
83.04974	2.0
83.08594	1.0
85.06520	2.1
88.83051	0.6
91.05471	5.7
93.07022	1.8
95.04961	3.7
95.08607	2.0
97.06534	1.0
103.05461	4.9
104.06255	0.8
105.07034	23.5
107.04940	3.2
107.08555	1.6
109.06507	1.8
109.10157	1.1
113.06017	5.5
115.05424	1.5
117.07024	1.7
118.04153	2.6
119.04933	1.5
119.08576	1.3
120.05737	1.4
121.06515	3.1
121.10186	1.1
122.07246	1.1
129.06972	0.9
131.04918	1.8
131.08548	1.0
132.05675	1.2
133.06494	20.1
133.10120	1.2
134.07262	0.9
135.04355	1.7
135.08046	2.6
135.11743	0.8
137.05969	8.6
143.08514	0.8
145.10078	1.3
147.04349	1.2
147.08093	0.7
147.11864	0.6
148.05220	1.5
149.06020	1.3
150.06737	8.6
151.07481	1.4
151.11212	0.9
154.06221	1.6
159.11722	0.6
165.09111	17.2
173.13228	0.7
178.06277	0.9
179.07050	1.6
181.04936	3.8
181.08577	3.6
189.09058	0.7
193.08603	100.0
194.09203	4.4
199.14764	0.7
209.08119	2.9
210.08850	2.1
289.18033	0.7
293.21127	1.6
362.13675	1.1
378.67566	0.6
385.23685	1.2
403.24799	2.8
403.33252	2.1
410.04187	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	403.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01858	2.0
55.05499	2.3
56.96559	1.5
57.03431	4.3
57.07055	1.2
58.99580	5.2
59.04987	1.3
61.02931	6.7
65.87668	0.7
67.05499	5.8
69.03428	21.3
69.07060	2.3
70.06592	0.8
71.04993	2.4
71.49427	1.1
72.08154	0.7
73.01138	9.9
73.02914	3.9
77.40460	0.6
79.05482	5.1
81.03416	8.2
81.07049	9.7
83.01342	0.9
83.04978	2.3
83.08611	2.0
85.02902	34.8
85.06522	0.7
86.09710	1.9
87.04459	4.4
91.03968	2.0
91.05471	3.8
93.07043	3.8
95.04950	3.6
95.08587	4.4
97.02896	13.0
97.06505	3.4
97.10216	1.0
99.04442	3.3
101.00602	94.3
101.06097	0.7
102.00965	1.3
103.05444	1.4
105.07016	3.8
107.04955	4.1
107.08567	3.8
109.02872	7.4
109.06561	1.7
109.10154	5.9
111.02663	0.9
111.04384	0.9
111.08106	1.3
113.04213	1.0
117.06999	1.0
119.04938	0.9
119.08563	4.1
121.06506	2.3
121.10155	4.6
123.04448	1.5
123.08094	1.1
123.11701	29.2
125.04232	4.5
125.09631	1.3
127.02186	1.5
127.03913	8.9
129.06966	0.9
130.86676	0.7
130.87778	0.8
131.08557	1.7
133.06444	1.1
133.10141	2.5
134.99664	0.7
135.08075	1.7
135.11679	0.9
137.05986	1.5
139.03923	1.6
139.05774	2.7
141.03683	12.1
143.08517	0.8
145.04971	3.8
145.10146	1.1
147.08069	5.0
147.11662	1.6
149.05965	2.3
149.09641	2.9
151.03961	1.0
151.07489	1.2
151.29199	0.7
153.05527	2.2
156.09314	1.3
157.10097	1.6
159.04399	1.2
159.08052	1.1
159.11668	1.3
161.05994	1.9
161.09599	1.0
161.13287	3.8
163.05757	0.7
163.14784	0.9
165.05504	3.6
167.03409	0.7
167.05289	2.9
167.07042	5.9
171.06494	1.0
171.11725	3.2
173.06047	1.4
174.10388	1.4
175.11159	1.3
177.05516	3.6
179.08693	0.9
181.04985	7.8
181.06642	1.6
181.10464	1.3
189.12698	8.4
190.13472	1.7
193.04967	1.2
193.08595	0.8
193.12247	1.0
203.07079	0.8
205.10493	1.7
209.08138	2.3
223.11505	27.8
223.13585	1.6
223.16747	0.8
224.11955	1.7
236.10089	0.8
241.12550	44.9
242.12930	1.6
249.07782	0.9
285.10059	1.0
297.11624	0.7
365.79828	0.8
373.12927	1.0
403.17883	100.0
404.18069	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	403.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01861	2.6
55.05507	5.3
55.45011	0.7
56.96562	0.7
57.03432	3.8
57.07073	1.1
58.99587	5.4
59.04999	1.4
60.78840	0.7
61.02931	6.8
65.03931	0.8
67.05499	4.9
69.03434	20.2
69.07069	3.6
69.26298	5.8
69.26715	0.9
70.06594	0.9
71.04990	2.6
72.08157	0.9
73.01142	9.3
73.02924	3.0
79.05499	4.0
79.25099	0.6
81.03418	7.1
81.07058	9.2
83.04985	2.9
83.08635	3.2
84.04489	1.4
84.08133	0.8
85.02908	31.8
85.06544	1.1
87.04474	3.6
89.43853	0.6
91.03978	2.2
91.05486	3.8
93.07066	4.5
95.04957	3.7
95.08607	4.3
97.02894	11.7
97.06535	4.7
97.10148	0.8
98.20747	1.3
98.97586	1.3
99.04466	2.6
100.11281	4.4
101.00607	87.5
102.00890	0.8
103.05485	1.1
105.07021	5.2
107.04942	2.4
107.08599	4.9
108.02126	0.7
109.02902	5.0
109.06528	1.3
109.10147	5.0
111.04441	2.4
111.08067	1.7
112.07610	0.8
116.98618	0.8
117.07003	1.0
119.08590	5.0
121.06522	2.6
121.10165	3.8
122.06848	0.9
123.04431	1.2
123.08096	0.9
123.11707	26.0
125.04237	3.5
125.09624	0.8
126.06297	0.7
127.02140	1.8
127.03911	8.1
128.07082	0.7
129.07021	1.0
131.04948	1.0
131.08554	1.2
131.96738	0.7
133.06516	1.3
133.10127	2.4
134.99570	0.8
135.08051	1.8
135.11710	1.3
137.05992	1.6
137.13237	0.6
139.05746	2.0
141.03697	12.3
141.04695	1.2
142.07861	0.7
143.08534	0.9
145.05025	3.7
145.10147	1.1
147.04501	0.9
147.08066	3.2
147.11678	2.0
149.05965	1.2
149.09621	1.8
151.03926	1.6
151.07561	1.2
153.05463	1.5
153.68756	0.7
154.12277	3.3
156.09364	0.7
157.10132	1.6
159.07935	0.7
161.06027	1.0
161.09633	1.3
161.13281	3.0
163.03975	1.2
165.05457	1.8
167.03838	0.7
167.05309	2.8
167.07045	4.8
171.11729	3.8
174.10455	1.0
175.11183	1.5
177.00832	0.9
179.03387	2.2
180.03780	2.5
180.07784	0.8
181.05167	4.8
181.06700	1.2
181.08574	1.1
182.11789	2.4
182.15469	2.1
187.07520	0.9
189.12759	5.9
190.13542	2.1
191.07048	1.0
193.08600	1.5
193.12257	0.9
194.09290	1.0
195.09888	1.0
196.10390	0.7
196.86844	0.6
201.05359	0.9
205.10484	2.4
207.02927	1.8
208.03281	1.4
209.03329	1.1
209.16618	0.7
210.14893	1.6
215.07021	1.0
220.10417	0.8
223.11525	23.0
223.20679	0.8
224.11926	1.5
229.10893	1.5
229.16008	0.7
241.12567	40.0
242.08119	1.4
242.12943	2.0
259.09689	1.9
303.73279	1.5
304.73929	0.7
326.27850	0.7
383.50702	0.7
385.23935	0.8
403.13458	4.8
403.17877	100.0
404.18314	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	403.2479
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
50.46152	0.8
53.03944	2.9
55.01880	6.8
55.05516	29.4
57.03427	2.7
57.07061	1.3
59.04998	3.3
65.03932	3.3
67.05509	26.4
69.03438	6.5
69.07073	10.0
70.06561	1.1
70.77856	1.1
71.04987	4.6
71.49512	1.5
79.05022	1.4
79.05495	28.5
81.03422	4.8
81.06609	1.5
81.07061	23.8
83.04987	5.9
83.08625	14.6
84.04493	1.0
85.02901	4.0
85.06550	2.6
87.04488	1.4
91.05485	18.1
93.07046	17.2
95.04978	10.3
95.08618	12.9
97.02901	1.8
97.06536	12.3
97.10175	20.0
99.08081	1.4
100.11250	4.9
103.05460	2.0
105.07027	16.5
106.52940	0.9
107.04971	14.0
107.08599	16.9
109.02867	2.3
109.06529	5.4
109.10172	6.9
110.03664	1.4
111.04453	2.5
111.08060	2.7
112.72089	1.0
113.06016	4.3
115.05460	2.6
116.98632	1.0
117.07030	10.4
119.04984	1.5
119.08586	9.5
120.08134	0.9
121.06532	8.1
121.10145	8.2
123.04441	1.8
123.08105	4.4
123.11717	1.6
125.06026	5.6
125.08790	1.3
125.09637	16.1
128.06226	1.4
129.01874	0.9
129.05528	1.3
129.07024	9.0
131.04939	3.8
131.08578	10.5
133.06512	5.6
133.10127	6.8
135.04424	0.9
135.08072	4.8
135.11691	5.5
137.05945	2.3
137.09622	1.5
138.03078	0.9
139.07579	0.9
139.11139	1.5
140.10677	1.8
141.06975	4.0
142.07794	1.4
143.08591	5.8
145.06499	11.9
145.10133	5.3
147.04385	2.5
147.08060	6.0
147.11688	8.2
149.05951	1.5
149.09659	2.2
149.13211	2.5
151.03926	1.9
151.07553	1.1
153.05414	2.0
153.09100	3.6
153.12756	5.0
155.08598	4.9
157.06506	3.2
157.10139	5.4
159.08072	5.9
159.11670	3.5
161.05966	3.5
161.09676	3.2
161.13245	1.5
163.03963	1.3
163.11171	3.3
165.05594	1.8
165.07018	1.8
165.12691	2.7
167.07047	6.4
167.08481	1.9
168.10287	1.7
169.06442	1.8
169.10114	4.3
171.06575	2.0
171.08043	3.4
171.11713	3.5
173.09631	3.2
173.13290	2.5
175.07530	1.4
175.11223	2.7
177.05432	1.3
177.12755	2.5
179.08546	1.0
179.10706	1.9
181.04970	40.7
181.10178	2.7
181.12260	5.2
182.15479	1.2
183.08044	1.9
183.11711	1.6
185.09613	2.2
185.13187	1.1
187.11232	1.7
187.14839	1.8
189.09149	2.0
189.11246	8.0
189.12726	2.1
193.05013	1.2
193.08568	1.4
193.10326	1.6
193.12234	9.7
195.08003	1.6
195.11719	3.6
197.09596	2.1
197.13319	4.5
199.11276	4.5
201.09190	0.8
205.12271	4.4
207.11938	1.5
207.13843	2.5
209.13206	1.0
209.16499	1.1
210.14893	2.7
211.11340	1.1
211.13254	3.5
211.15077	1.6
213.12735	3.6
215.14247	4.7
217.12251	2.1
221.11685	2.0
221.15466	1.1
223.11180	2.8
223.13330	4.3
223.20560	1.2
225.12823	1.9
225.14925	3.1
227.14407	2.0
229.07419	1.0
231.13824	2.6
233.15303	6.4
237.12833	2.9
239.14377	1.4
241.14339	7.7
243.13887	1.5
245.15561	1.0
251.14296	1.0
255.13922	5.0
257.15402	1.2
259.09656	1.9
259.13364	3.5
271.17090	1.1
273.14874	12.7
275.16599	1.7
281.15326	2.2
283.08490	1.2
283.16916	1.0
287.16351	1.8
289.18304	1.1
291.15887	1.1
310.45361	1.0
321.22125	1.7
331.20486	2.8
339.23187	8.5
349.21619	18.3
357.24268	5.7
367.22696	53.8
368.23032	4.0
371.12369	2.0
373.12823	1.3
385.23749	100.0
386.24127	5.7
393.05304	1.0
403.13623	3.3
403.24814	46.0
404.25150	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	403.3358
Annotation	4,4'-Diaponeurosporene
Peak:m/z	Relative Intensity
51.96080	1.4
55.05506	8.1
56.96540	1.9
57.07061	3.4
57.83853	1.4
57.90983	1.5
67.05489	7.1
69.07063	16.0
69.44591	11.9
79.05476	4.9
81.07058	13.6
83.04989	1.8
83.08618	8.1
88.23333	1.4
91.05479	6.0
93.07040	10.5
95.04944	2.6
95.08596	22.9
97.06505	1.9
97.10148	2.2
98.21497	2.2
105.07030	9.2
107.08579	14.1
109.10151	14.8
111.11695	1.8
113.05980	4.6
117.06975	2.2
119.08575	13.9
121.10152	10.3
123.11694	10.7
129.07016	2.3
131.08580	8.3
133.10120	9.0
135.11696	7.3
137.13252	12.4
142.07841	2.2
143.08553	6.7
145.10127	12.3
147.11673	5.6
149.13260	5.9
155.08549	5.9
156.09445	1.8
157.10144	9.5
159.11713	8.6
161.13254	5.8
169.10118	7.1
171.11690	7.0
173.13246	6.3
175.14835	5.7
177.16280	1.8
179.08698	1.8
181.05209	1.4
181.10126	5.1
182.10925	1.9
183.11690	6.1
185.13277	3.8
187.14841	4.8
189.16373	3.0
191.17987	2.3
193.10129	1.7
195.11694	8.7
197.13269	6.9
199.14795	3.0
201.16374	4.4
207.11676	4.7
209.13249	11.4
211.14806	4.4
213.16335	4.1
215.17960	3.0
221.13301	5.0
223.14896	6.3
225.16327	6.0
227.17885	2.7
235.14838	3.7
236.15648	1.7
237.16431	2.9
239.17911	4.5
241.19551	2.9
251.17915	11.5
253.19560	3.4
255.20972	1.8
263.17978	2.1
265.19513	7.2
267.21045	6.3
277.19360	2.8
279.21161	3.2
281.22614	3.2
291.21103	2.5
293.22623	3.1
305.22485	4.6
307.24185	3.8
319.24191	6.2
321.25702	2.8
333.25729	11.1
347.27353	4.9
360.27991	2.2
361.29025	4.1
367.33716	1.8
403.25482	11.2
403.33566	100.0
404.33969	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	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01859	3.6
55.05498	5.4
57.03444	12.2
58.02962	2.9
60.43673	2.4
61.02914	4.9
66.61240	2.2
67.05511	5.8
69.03428	14.0
69.18242	10.1
69.18673	15.7
70.06585	9.6
70.27779	2.2
71.36349	2.2
72.08160	5.0
73.02918	2.8
75.04473	4.4
79.05499	8.3
81.03400	8.5
81.07065	4.7
81.53452	2.3
82.06561	2.4
83.05003	2.1
84.08134	3.6
85.02906	31.5
86.09718	14.7
86.47421	2.7
91.05482	100.0
93.07055	6.1
94.02946	5.0
94.06576	2.8
95.01329	5.0
95.04957	12.4
95.08607	6.0
96.04507	5.2
97.02869	12.2
97.06526	2.8
98.21563	5.8
105.03380	4.8
105.05759	3.4
105.07071	6.0
106.06552	5.7
107.04958	19.3
107.08576	3.1
108.08164	5.3
109.02875	2.4
109.10138	4.6
118.04846	2.5
118.06532	17.4
119.04901	3.9
119.07339	4.7
119.08589	7.2
120.04446	6.0
120.08105	9.9
121.06413	2.7
122.06028	60.9
123.00796	8.8
123.04430	4.3
124.03937	3.3
124.07574	3.1
126.05509	6.8
127.03899	3.8
136.07597	15.8
137.05962	8.5
137.09654	6.1
138.05501	4.7
139.03946	4.5
140.03387	11.8
140.07069	2.6
141.01801	13.3
142.05016	11.6
144.04428	3.5
145.04945	2.9
146.06012	20.9
147.04428	4.9
147.11714	3.2
149.05945	3.1
151.03946	13.9
154.05017	5.7
156.06575	18.3
164.07068	19.7
165.05479	23.6
165.09116	8.4
169.01315	25.3
172.03918	6.8
174.05513	20.5
177.05484	2.7
180.06587	9.8
182.08211	16.2
190.04965	5.2
190.08624	4.5
192.06537	12.2
193.08597	38.6
196.09705	5.6
207.06596	3.6
207.13821	8.9
210.07634	22.2
211.09596	13.5
224.09155	27.3
225.10075	2.7
242.08098	16.2
242.10274	42.0
327.39740	2.6
403.37219	3.2
404.14926	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.3
69.03421	1.8
70.32189	3.5
85.02906	5.3
86.09704	1.1
90.50718	1.1
91.05482	11.4
119.04935	15.8
141.44812	0.9
147.04398	15.7
149.02350	1.3
157.03986	1.8
164.04790	1.1
169.04945	1.0
175.03909	33.4
179.07016	1.7
180.08684	1.7
192.04176	8.4
207.06523	100.0
208.06808	2.8
223.34862	1.1
225.07562	39.0
241.10251	1.4
242.10835	2.4
404.16071	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	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.2
66.36069	0.9
69.03432	2.6
71.45116	1.7
72.08160	0.8
77.03945	1.0
81.03401	1.2
82.27110	0.8
84.08160	1.8
85.02907	10.1
86.09683	1.0
91.05486	17.9
97.02900	3.5
103.05474	1.1
110.07156	0.8
118.04160	1.4
118.78382	0.9
119.04140	1.7
119.04948	26.2
127.03918	1.9
132.02052	1.2
135.04405	1.3
145.04970	1.9
147.04417	21.2
151.07521	1.1
157.03993	1.3
164.04698	2.1
165.05490	1.1
174.03085	1.2
175.03912	40.0
179.06987	1.2
180.08636	0.9
192.04182	12.5
207.06538	100.0
225.07591	38.5
225.09846	1.1
275.19873	1.0
404.19385	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	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07047	0.8
57.03418	1.2
61.02921	1.4
63.68050	0.9
65.03939	1.3
65.49719	0.8
69.03423	2.9
69.60266	5.8
70.06589	1.4
71.77021	0.8
72.08156	1.5
79.05483	0.7
81.03397	1.4
84.08129	1.0
85.02910	8.8
86.09695	1.3
91.05486	16.1
91.87546	0.9
93.07054	0.9
95.04974	1.6
97.02895	3.7
103.05415	1.0
105.07028	1.0
109.02866	1.1
114.31664	0.9
118.04144	1.4
119.04951	24.2
127.03897	1.8
130.55287	1.0
137.05916	0.8
145.04953	1.9
147.04413	23.4
149.02306	0.9
157.03975	1.5
164.04674	2.7
165.05516	1.7
175.03915	43.0
176.04407	0.8
179.07033	3.0
180.08717	1.2
187.05826	0.8
192.04187	11.2
200.10831	0.9
207.06535	100.0
208.06985	2.4
225.07582	36.3
257.07635	0.7
266.62482	1.0
276.89114	0.9
366.17111	0.9
383.78012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	15.8
57.41585	0.6
69.07022	0.5
70.56580	2.0
71.42793	0.5
71.95239	1.5
73.01856	0.5
74.97577	0.6
79.05477	0.7
81.07034	1.1
91.05478	0.7
94.04179	1.6
95.08584	0.6
98.97581	50.6
107.08588	0.7
109.10127	0.6
115.18758	0.5
116.98621	59.7
120.50809	0.6
122.03665	3.8
134.99658	43.4
137.05981	45.2
138.06300	0.8
140.00218	2.9
146.01167	0.6
153.00739	7.1
158.01270	3.6
176.02155	0.5
179.00174	0.6
197.01216	2.6
208.10095	1.1
211.02806	2.1
215.02251	0.8
216.02989	0.7
220.00418	1.2
224.09549	1.5
225.08157	0.6
226.11148	13.6
235.02773	39.6
236.03125	1.3
238.01561	3.1
241.03781	1.0
242.10593	1.4
244.12241	10.1
253.03844	100.0
254.04131	2.3
267.13904	1.1
268.12155	3.5
271.04889	8.6
276.05441	11.2
280.12314	1.8
286.13190	1.1
298.13229	0.7
329.13058	1.1
344.15332	7.3
362.16370	3.3
391.27316	0.5
401.50278	0.6
401.55542	0.6
404.17444	75.8
405.17789	4.2
405.22336	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	404.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
55.01870	7.7
55.05500	6.4
56.66868	2.8
57.03437	3.8
57.19944	2.6
57.71659	2.9
60.54480	2.7
61.02938	4.3
65.03924	3.9
65.54646	2.5
67.05508	14.5
69.03416	13.1
69.07047	4.9
69.46329	22.2
70.06602	5.5
71.04984	3.4
71.22346	2.8
79.05486	17.8
81.03405	4.3
81.07051	13.6
83.04981	6.3
84.08136	3.6
85.02908	15.4
86.09708	6.4
91.05456	23.4
93.07043	10.4
95.04954	10.1
95.08612	5.9
97.02880	8.8
97.03526	3.3
97.06524	21.7
99.08218	3.2
105.07037	22.1
107.04969	23.1
107.08580	7.1
109.02888	3.5
109.06503	4.0
109.10155	3.4
111.04417	8.0
117.07015	6.3
119.04929	6.0
119.08579	9.6
121.06485	5.1
121.10143	4.3
123.04430	4.7
123.08057	4.1
125.06042	5.7
127.03906	4.8
128.06187	8.1
130.06465	3.2
131.04858	3.3
131.08504	5.8
133.02843	5.7
133.06493	5.9
133.10129	33.6
135.04398	6.4
137.06039	15.3
138.06383	3.7
139.03902	2.9
143.08575	14.0
145.02873	3.4
145.06445	4.3
145.10149	11.3
147.04407	5.2
150.06247	2.9
151.03897	4.0
151.07471	4.5
160.05019	3.4
161.09616	100.0
163.03963	14.1
165.05505	3.8
165.12804	3.9
166.05777	3.7
167.07072	14.1
181.04953	9.3
189.09091	16.6
191.07065	3.5
193.04909	8.6
193.08394	3.9
194.05313	5.4
207.10172	72.9
207.13609	7.0
209.08032	4.1
225.11143	6.3
236.07710	3.6
242.17560	10.3
259.09683	8.0
285.10068	6.5
313.11816	3.4
344.08292	10.6
373.13879	5.8
404.35226	3.4
405.14685	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	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01865	5.8
55.05512	5.8
56.96580	2.7
57.03437	2.6
60.26918	2.4
61.02947	2.7
61.63329	2.3
67.05509	10.7
69.03432	9.9
69.07073	3.7
70.06581	3.6
70.62273	8.6
74.03465	2.2
79.05495	14.5
81.03432	5.5
81.07059	11.2
85.02908	10.0
86.09708	3.2
89.02712	2.3
91.05484	12.8
93.07054	6.1
95.04987	13.5
95.08617	5.2
97.02902	2.7
97.06541	12.5
99.04455	4.1
102.67733	2.3
105.07050	17.7
107.04970	14.0
107.08570	3.2
107.19466	2.2
109.10130	2.3
111.04428	3.1
112.30239	2.7
117.07030	3.5
119.04967	2.5
119.08584	10.1
121.06582	3.3
123.04456	3.1
125.06039	5.8
128.06227	4.6
131.08501	3.6
133.06496	5.2
133.10141	26.3
135.08069	4.0
137.05992	4.6
143.08563	15.6
145.10139	8.7
146.07210	2.8
151.07552	3.3
153.09158	4.9
161.09622	100.0
162.10005	3.3
163.03888	5.4
163.06100	2.4
167.07080	4.0
181.04933	4.9
189.09122	22.3
194.05447	4.7
207.10172	60.5
207.13905	6.4
224.16570	3.4
225.11295	6.7
237.52487	2.4
242.17531	18.6
285.10117	4.6
344.08566	5.7
355.73492	2.5
376.42020	2.7
404.15039	3.2
404.22876	6.8
404.36325	2.8
410.55356	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	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01870	2.4
55.05501	4.8
57.03433	3.3
63.27016	1.1
67.05490	4.7
69.03413	5.1
69.07059	1.9
70.06590	1.3
71.04990	10.1
71.49491	1.7
72.08134	1.3
72.82652	1.1
79.05495	7.6
81.03430	5.8
81.07056	9.2
82.03745	1.6
83.04980	2.2
83.08652	2.8
84.08137	1.2
85.02911	7.5
86.09697	1.9
91.05495	5.8
93.07040	3.6
94.25874	0.9
95.04951	5.0
95.08610	2.7
97.02884	2.4
97.06518	6.2
97.30287	1.0
98.97528	1.3
98.98460	4.4
99.04464	10.9
105.07041	9.8
107.04954	3.3
107.08584	3.4
109.02880	13.0
109.06510	2.2
111.04426	3.0
117.07079	1.1
119.08587	6.3
121.06480	2.7
121.10117	2.6
123.08047	4.3
125.05975	2.2
127.03928	11.3
128.06274	1.7
129.07008	1.1
131.08583	1.4
133.06488	1.4
133.10152	10.5
136.99998	2.8
137.05988	2.7
137.09624	1.1
139.03830	1.1
143.08549	3.8
145.04964	1.7
145.06248	1.1
146.07236	2.2
147.04402	1.7
147.08018	4.7
151.11191	5.6
155.01051	3.2
161.09622	76.3
162.09924	3.3
167.07040	2.9
168.07309	1.2
179.07071	1.1
179.10652	1.9
180.08739	1.3
181.04851	1.5
189.09096	4.3
207.10205	5.8
207.13774	2.3
219.42267	1.0
225.11220	100.0
226.11577	3.5
268.16376	1.4
289.07983	1.1
297.12152	1.3
345.10870	2.3
359.10690	1.2
361.08569	1.6
387.10190	3.5
404.16797	2.2
404.22711	12.6
404.35489	3.7
405.11371	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.0
57.07064	6.4
65.03912	1.6
67.05505	16.8
69.03421	4.1
69.07056	4.2
70.63106	3.2
70.63437	1.8
71.04988	4.2
79.05516	1.7
81.07079	1.8
83.04981	2.5
83.08616	1.9
85.02900	11.1
85.06547	19.3
91.05468	2.6
93.07032	4.0
95.04941	2.0
95.08607	100.0
97.02855	3.1
97.06528	3.1
99.08086	11.5
103.96374	1.7
105.07033	4.7
107.04942	1.5
107.07453	1.5
113.06009	23.9
119.08578	18.0
121.10140	3.5
123.08080	11.0
127.03892	3.2
127.07547	35.6
130.44205	1.4
135.11678	4.9
137.09567	1.7
145.04907	4.5
151.07552	2.9
161.13284	16.9
163.11076	2.1
167.07013	2.9
179.14354	9.3
189.12729	2.9
207.06421	1.7
207.13808	43.3
268.55621	1.7
278.77301	1.8
353.94879	2.0
397.04593	1.4
401.76724	1.4
404.22751	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99968	2.7
53.03949	3.3
55.01878	5.3
55.05531	3.0
56.96563	4.2
57.03438	5.3
59.05009	6.8
60.64055	2.9
61.02925	8.7
62.82061	2.7
66.71885	2.6
67.05505	10.3
69.03432	11.8
69.07082	5.7
69.26627	24.0
70.06612	8.7
71.04987	6.0
72.08147	4.9
73.02931	4.1
78.95677	2.4
79.05518	9.3
81.03441	6.3
81.07061	11.1
81.40111	2.6
82.06619	2.6
83.05001	10.6
83.08660	2.9
84.08159	5.8
85.02903	20.4
86.09724	4.3
91.03999	3.2
91.05505	10.5
93.07066	10.4
95.04998	8.8
95.08598	25.4
97.02911	7.6
97.06527	30.0
99.04484	3.3
99.08121	3.3
103.05430	3.3
105.07059	14.4
107.04995	6.8
107.08600	13.9
109.06563	8.6
109.10165	3.0
111.04455	5.1
113.06019	3.6
119.04954	3.2
119.08588	15.6
121.06513	4.4
121.10144	43.5
122.07180	2.9
123.08069	100.0
127.07571	6.7
129.07112	4.1
131.04913	3.4
133.10165	6.1
135.11728	8.4
136.07556	7.2
137.06001	14.5
137.09619	6.6
143.08519	2.8
145.10117	4.7
147.04417	4.5
147.11667	20.4
149.01277	3.9
149.09679	5.1
151.03975	5.0
151.07523	2.9
151.11226	3.8
161.09634	5.9
161.13185	6.3
163.03960	7.0
163.11166	19.0
164.07091	6.0
165.05527	6.1
165.06808	4.1
167.07129	7.8
171.06708	4.3
180.07227	5.4
181.04922	7.6
181.12248	53.4
181.13762	4.5
183.14516	2.7
184.24492	2.7
189.12706	4.3
193.12032	3.1
197.07062	15.2
198.34357	2.8
198.41708	2.6
199.08795	4.3
207.13818	19.0
211.08598	19.6
213.10336	6.4
213.12613	3.3
215.07016	7.0
223.08571	2.8
225.06630	23.2
225.10419	9.9
225.14842	30.0
229.09875	3.2
233.08302	3.7
239.04639	4.0
239.08150	41.2
240.09047	3.1
243.07768	3.8
245.12888	23.3
252.09377	11.7
253.09778	24.0
255.07721	6.0
255.11415	5.1
257.05719	6.3
257.09329	12.7
259.07266	4.7
259.09830	7.9
267.07556	20.9
269.09027	2.9
271.10831	12.8
273.08688	3.5
281.06033	5.9
281.09116	26.5
283.10992	4.8
285.08539	7.9
289.11954	7.0
293.09274	3.6
299.10309	46.1
309.08633	30.5
311.10278	5.0
317.07791	4.0
317.11316	3.4
326.08621	4.5
327.09787	68.7
328.10477	3.2
329.11353	10.6
332.10312	5.3
337.08133	3.6
345.10825	97.2
355.09418	9.3
361.10681	9.8
373.10278	97.1
387.11197	4.3
404.11407	3.7
404.16348	8.3
404.35791	21.6
405.12424	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	405.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.5
55.05515	2.1
57.03428	1.0
57.49555	0.9
61.02928	1.8
65.03951	0.8
67.05490	2.6
69.03419	3.3
69.07058	1.6
70.06589	2.3
71.04971	1.6
71.49576	1.3
72.08104	0.8
73.02905	1.7
73.91961	0.8
79.05479	2.7
81.03406	2.4
81.07042	2.1
82.06535	1.2
84.72907	0.8
85.02904	4.8
91.05455	1.6
93.07024	1.7
94.06549	0.9
95.04967	2.3
95.08586	1.6
97.02873	1.3
97.06521	13.6
98.97583	0.8
99.28389	0.8
105.07024	1.7
107.04941	1.9
107.08610	1.8
108.04453	0.8
108.08096	1.2
109.02899	1.1
109.06550	0.9
111.04439	2.5
115.49617	0.9
119.08603	1.1
122.07228	1.0
123.08053	3.2
124.08416	2.3
127.03874	1.1
129.06992	1.0
130.06599	1.2
132.07993	1.3
133.10141	0.8
137.05978	5.5
139.03873	0.9
147.04370	1.4
147.05539	1.0
149.01187	1.2
151.07527	1.4
156.07661	1.3
159.09178	1.2
161.06029	0.9
161.10861	1.0
163.03879	2.6
164.07112	1.0
165.05464	1.9
167.07117	2.3
176.13101	2.0
177.05376	0.9
178.05008	1.0
180.07268	1.9
180.57492	1.0
181.04932	2.5
181.12341	1.1
182.08273	0.8
183.09190	1.6
184.07607	2.3
189.10341	1.5
197.07095	11.4
197.10742	2.0
198.07669	1.2
198.09273	1.9
199.08630	3.2
210.07660	1.3
211.04750	1.0
211.08650	16.0
211.13187	1.1
212.09315	2.5
213.06551	1.3
213.10236	3.3
225.06569	19.4
225.10081	10.6
225.14836	1.0
226.07053	2.1
227.08052	4.2
227.11797	3.3
229.09729	1.7
233.08038	1.6
235.08589	1.6
237.10269	1.8
239.04468	3.4
239.08145	32.9
240.08765	4.8
243.07576	5.5
245.12839	26.2
246.13020	1.1
252.09319	1.9
253.05959	1.8
253.09702	20.8
254.10336	1.5
255.07709	3.6
255.11238	4.3
257.05560	4.3
257.09235	12.6
259.09842	3.7
263.08224	1.7
267.07617	17.9
268.08295	1.6
269.09241	1.7
271.10754	10.7
273.08664	2.7
273.12024	1.1
275.17685	1.1
281.06036	0.9
281.09171	20.2
283.10757	2.7
285.08661	8.1
286.09668	1.3
289.11816	5.9
293.09183	3.4
295.06931	1.4
297.08603	2.0
299.06882	2.2
299.10211	35.1
300.10724	2.4
301.11823	2.0
309.08679	26.3
310.08975	1.1
311.10242	8.0
313.08292	1.4
317.11307	3.6
327.09756	56.8
328.10184	3.0
329.11295	9.7
331.09100	2.2
337.08191	3.9
345.10806	91.4
346.11133	3.4
355.09155	8.2
359.12677	1.2
361.10699	1.5
362.10727	1.2
373.10281	100.0
374.10773	4.8
377.13474	1.1
382.71240	0.9
387.11240	4.7
404.35654	1.0
405.12744	14.6
405.24030	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	405.1393
Annotation	Secologanoside 7-methyl ester
Peak:m/z	Relative Intensity
50.24589	1.7
53.03953	2.2
53.82634	1.4
55.01859	2.1
56.96559	1.9
57.03443	10.6
59.76294	1.5
61.02919	5.4
63.45901	1.4
67.05508	2.0
69.03430	15.7
70.06583	2.2
71.05023	2.4
71.22504	3.1
72.08202	1.8
73.02922	1.8
75.19942	1.6
81.03429	11.0
84.26314	1.6
85.02390	2.6
85.02911	54.3
86.09682	1.7
87.04491	1.7
91.03992	2.6
91.05478	1.7
95.04977	31.7
97.02897	19.7
99.04469	4.5
109.02891	16.3
111.00805	4.4
111.04517	2.5
113.60712	1.6
119.04994	2.2
123.04439	12.9
125.02361	17.5
126.03136	7.4
127.03931	14.1
135.79161	1.6
137.06053	2.0
139.03925	8.5
141.05463	32.1
141.06450	2.9
145.04974	17.5
147.04463	2.5
151.03918	41.7
163.06062	2.9
165.05478	5.8
165.35428	1.6
167.03412	19.9
169.04967	100.0
169.51744	1.7
175.03900	3.7
176.04370	2.8
183.06427	2.5
185.04559	2.5
193.04964	6.2
202.69124	1.5
207.06502	4.5
208.06841	9.8
211.06024	41.7
225.07553	3.6
226.07901	3.7
229.07060	24.4
233.13618	1.6
243.08659	6.1
282.96057	1.6
296.06433	1.6
405.17111	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.9
55.05510	12.7
57.03434	5.7
57.07075	4.7
67.05506	6.0
69.07068	14.1
69.82896	1.8
69.83301	0.9
71.04971	0.7
71.08634	2.6
79.05494	5.0
81.07050	7.6
83.08620	10.8
85.10193	0.9
89.38593	0.5
91.05479	1.9
93.07040	4.3
95.08605	8.4
97.06525	1.7
97.10162	7.3
104.54701	0.6
105.07029	1.4
107.08595	4.2
109.10159	3.3
111.08073	0.8
111.11705	2.9
113.00013	100.0
117.07024	0.6
119.08562	2.7
121.10144	6.3
123.11707	2.4
125.13255	0.5
131.01076	1.1
131.08580	1.6
133.10121	2.2
135.11700	4.6
137.13257	2.4
139.01524	0.8
143.08557	0.7
145.10132	2.4
147.11711	1.1
149.13269	1.9
151.01598	0.8
154.02657	0.9
155.08607	0.7
157.10135	1.9
159.11678	1.7
161.13229	1.2
163.14806	1.1
169.02608	95.3
169.10124	0.9
171.11694	1.3
172.54784	0.5
173.13286	1.5
181.10158	0.6
183.11655	1.8
185.13295	0.6
187.14787	1.1
197.13283	1.1
199.14832	0.8
200.32578	0.5
201.16348	1.3
219.21095	2.0
225.16406	1.8
227.17912	0.9
237.22139	7.6
239.17816	0.9
241.19417	0.6
251.17856	0.6
253.19507	1.1
255.21114	0.8
267.21036	1.2
281.22681	0.8
309.25677	1.0
319.18741	1.6
321.25534	0.6
335.27368	0.8
349.28574	0.6
362.29419	0.9
387.21915	0.8
405.35187	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	406.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
65.03922	0.2
66.04714	0.3
69.03435	0.2
69.20168	1.1
69.20596	0.5
70.06583	0.2
77.03928	0.2
79.05495	1.0
81.07067	0.4
85.85782	0.2
89.03931	0.2
92.02651	0.2
94.04172	0.6
95.04971	0.6
98.03691	0.1
103.40110	0.1
105.03359	0.2
105.22124	0.2
106.08633	0.2
107.05032	0.2
109.02851	0.3
109.06523	0.6
114.05515	0.4
121.02886	0.3
122.03628	1.2
125.01544	4.8
125.61314	0.1
126.03144	0.2
129.01039	0.5
135.04427	0.1
137.01489	0.2
137.05977	0.3
138.99457	16.0
139.00430	0.6
139.99788	0.2
149.01520	0.2
152.06268	0.4
155.07013	2.2
162.99504	0.3
165.05470	55.9
166.05817	0.6
166.07747	0.2
167.08553	0.8
168.04118	0.2
172.13391	0.2
176.06158	0.1
177.06990	0.3
178.07762	0.5
179.08575	0.3
187.03072	0.2
188.07077	0.2
194.07239	0.3
195.08070	1.7
199.03123	0.5
201.04665	0.3
207.07967	0.2
210.10435	0.2
212.03899	0.3
213.04552	0.2
215.02628	2.2
223.07535	2.8
227.02528	1.1
228.03267	0.6
229.04144	1.0
230.04976	0.4
235.07564	0.9
238.09892	3.2
240.03366	0.2
241.04002	0.4
242.04924	7.0
243.02071	3.3
243.05592	0.5
251.07069	0.3
256.02841	0.3
256.05249	0.5
257.03625	1.4
258.04425	5.8
266.09317	0.8
270.04413	1.4
273.06769	8.7
284.04684	0.2
285.05658	0.5
286.03793	1.2
300.07947	0.6
301.06241	100.0
302.06619	1.8
303.06073	0.5
344.10461	1.7
388.11475	0.2
390.81732	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	406.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
66.04716	0.2
67.05501	0.3
67.14617	0.1
69.07066	0.4
69.53009	0.9
70.06580	0.6
72.04494	0.2
79.01865	0.2
79.05498	1.3
81.07044	0.5
83.04958	0.2
87.00021	0.2
88.07623	0.4
89.03943	0.2
91.05469	0.3
93.07021	0.3
94.04185	0.6
95.04968	0.5
95.08582	0.2
97.06521	0.6
98.03646	0.3
98.20773	0.3
102.99226	0.2
105.03367	0.2
105.04465	0.2
105.07082	0.1
106.08656	0.5
106.59178	0.1
107.04944	0.3
109.02882	0.3
109.06539	0.9
111.00787	0.2
114.05533	0.5
121.02874	0.3
122.03651	1.2
123.68540	0.1
125.01550	4.7
126.03144	0.3
129.01033	0.6
132.06572	0.2
135.04430	0.1
137.01462	0.2
138.99461	16.5
139.00459	0.6
142.31998	0.1
150.03128	0.2
152.06219	0.6
155.07019	2.6
162.99452	0.2
163.03864	0.3
165.05473	55.6
166.05774	0.5
167.08560	1.2
168.04156	0.2
172.13368	0.3
173.02452	0.2
177.07047	0.3
178.07770	0.5
179.08588	0.2
187.03145	0.4
194.07341	0.3
195.08051	2.0
198.34624	0.1
199.03061	0.7
201.04674	0.4
201.70618	0.1
207.08009	0.3
208.08763	0.2
212.03865	0.2
215.02580	2.3
223.07544	2.5
226.01837	0.1
227.02568	1.9
228.03323	0.4
229.04123	1.1
230.04919	0.3
235.07497	0.9
238.09901	3.0
241.04153	0.6
242.04936	7.4
243.02078	3.3
243.05681	0.4
251.06995	0.4
256.02841	0.3
257.03638	1.9
258.04425	6.2
259.09732	0.3
266.09390	1.1
269.03598	0.2
270.04382	1.3
273.06766	7.8
285.03140	0.2
286.03973	0.8
301.06247	100.0
302.06589	1.5
319.05542	0.1
388.13168	0.3
406.14142	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	406.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
51.02374	0.3
53.03934	0.2
67.78616	0.1
68.45461	0.1
68.99779	0.2
69.03424	0.1
69.65105	0.1
69.86473	0.6
69.86893	0.3
70.06571	0.4
70.43725	0.1
79.01852	0.3
79.05502	1.2
81.03404	0.1
81.07067	0.3
87.00015	0.2
87.04500	0.2
88.07619	0.8
93.07063	0.2
94.04181	0.5
95.04958	0.5
95.08643	0.2
97.06535	0.2
105.03381	0.2
106.08658	0.5
107.01273	0.1
107.04946	0.2
109.02827	0.3
109.06499	0.6
114.05501	0.2
120.08080	0.2
121.02844	0.3
122.03625	1.7
122.49649	0.1
125.01541	4.1
126.03117	0.3
129.01015	0.5
134.34509	0.1
135.44441	0.1
137.05908	0.2
138.99452	16.4
139.00443	0.6
139.99756	0.2
152.06229	0.3
155.07022	2.5
162.99469	0.4
164.06995	0.2
165.05466	53.6
166.05875	0.7
167.08554	0.8
168.04164	0.2
177.05418	0.1
177.07027	0.2
178.07771	0.6
179.08539	0.3
180.05763	0.2
187.03075	0.3
192.05716	0.2
193.06541	0.2
194.07285	0.2
195.08034	2.2
199.03078	0.5
201.04677	0.3
212.03883	0.3
215.02570	2.2
223.07535	2.6
226.01743	0.2
227.02548	1.7
228.03354	0.6
229.04132	1.0
230.04788	0.3
235.07492	1.0
238.07768	0.2
238.09909	2.6
239.02518	0.2
240.03279	0.2
241.04094	0.5
242.04919	7.5
243.02078	3.4
243.05676	0.3
250.10616	0.2
251.07135	0.2
256.02759	0.2
257.03616	1.4
258.04434	6.0
266.06958	0.2
266.09363	1.0
270.04416	1.2
272.63361	0.1
273.06747	8.5
285.02988	0.2
286.03870	0.9
301.06232	100.0
302.06503	1.9
344.10165	0.2
349.05374	0.1
362.15891	0.3
388.13284	0.2
389.61652	0.1
406.14130	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	406.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01858	0.4
55.05495	0.4
56.96573	1.7
57.03424	0.9
67.05521	1.2
67.46598	0.2
69.03429	4.1
69.07056	0.6
70.06601	0.4
71.04983	0.9
71.49268	0.3
72.39597	0.2
73.02911	0.7
74.24922	0.2
79.05083	0.2
79.05493	1.2
81.03411	1.8
81.07047	0.8
84.08143	0.5
85.02905	7.4
86.06128	0.2
86.09687	0.2
87.04460	0.8
91.03936	0.5
91.05474	0.7
93.07028	0.4
95.04961	0.8
95.08597	0.7
97.02894	3.7
97.03477	0.4
97.06519	1.5
98.97598	0.4
99.04447	0.5
105.07027	0.7
106.06530	0.6
107.04945	0.7
107.07306	0.4
107.08599	0.4
109.02912	1.3
109.10165	0.3
111.04449	0.3
115.05435	0.3
116.98587	0.6
117.07011	0.3
119.08551	0.5
123.04424	0.6
127.03917	1.6
128.06221	0.4
128.98569	0.3
129.06992	0.5
134.05977	0.3
134.99631	0.3
135.04387	0.6
136.07588	0.6
139.11221	0.2
143.08539	0.6
145.04924	0.8
145.08876	0.3
145.10086	0.2
147.04436	0.3
149.05952	0.2
153.06961	1.4
154.06505	0.3
155.07376	0.5
155.08554	1.7
157.06308	0.3
158.99657	0.3
160.11263	0.3
161.05965	1.0
163.03931	2.2
164.07080	0.5
165.06924	0.3
167.07100	0.3
168.05597	0.5
170.09628	1.6
171.08038	0.6
176.06952	1.1
177.00673	0.3
180.08064	0.6
181.06480	0.7
183.06705	1.1
183.08128	0.6
184.05153	0.4
186.06677	0.3
188.10721	0.5
191.03400	1.2
192.04128	0.7
196.07521	0.3
198.09138	3.8
199.07582	1.3
200.07007	0.3
201.07823	0.7
202.08571	0.3
203.05907	0.3
208.07549	0.3
209.15147	0.3
211.06250	0.6
213.19359	0.2
213.72658	0.2
214.05032	1.0
215.07182	0.5
216.10197	2.3
220.10223	0.2
226.08609	2.1
227.07001	0.4
227.16371	0.3
228.06500	0.8
229.02565	0.4
229.07346	1.0
238.03093	0.4
242.08128	0.4
243.08920	0.3
244.09680	100.0
245.10036	1.2
259.09656	1.0
260.09921	0.3
267.09061	2.0
284.99191	0.4
285.06888	0.3
285.10049	5.4
286.10574	0.9
292.04031	1.1
301.04678	1.8
303.11169	0.3
308.11560	0.4
383.07660	2.4
384.07773	0.3
406.15042	2.8
406.19742	0.3
424.00769	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	406.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
56.96565	5.0
57.03437	5.2
61.02937	4.4
69.03432	12.7
70.02946	2.2
71.48983	2.2
72.08156	1.8
73.02917	4.0
74.02471	3.0
81.03426	3.6
81.07063	1.9
84.04514	3.2
85.02907	32.5
86.09705	2.5
97.02892	9.3
98.97590	3.0
100.07550	1.7
106.06564	2.0
109.02868	3.1
116.98641	2.7
117.05736	3.9
118.06542	5.7
127.03938	5.6
128.31291	1.6
129.07034	2.3
130.06514	21.2
132.08112	3.3
132.61647	1.6
134.99588	2.6
138.09058	1.8
143.07295	7.5
144.08076	13.9
145.04945	3.1
146.05965	13.6
147.04445	2.4
149.06021	2.2
154.06473	13.2
155.06052	2.2
155.07301	2.4
156.08093	22.1
157.07623	10.3
158.06015	6.6
160.07542	1.9
167.07307	4.3
168.08061	5.1
169.05162	4.3
169.07593	10.5
170.06168	1.9
171.09175	19.0
172.07596	6.5
177.00743	1.9
180.08044	2.3
181.07584	13.4
182.06003	6.8
182.08386	4.1
183.09175	23.3
185.07092	36.4
188.07045	19.7
191.24692	2.0
193.07593	2.2
195.09181	10.2
196.07510	3.8
196.09940	3.3
197.07063	2.3
198.10423	12.4
199.08647	5.6
200.07051	5.5
205.09662	5.2
207.09250	2.7
208.09822	1.7
209.07007	11.5
211.08614	2.0
213.10143	3.1
223.08649	4.9
225.10178	3.2
226.10779	6.4
227.08147	100.0
228.08577	3.2
230.08072	3.0
234.06252	2.9
240.11140	2.1
241.09680	4.0
244.10774	57.7
251.08327	2.6
268.10831	4.4
269.09216	21.7
286.11826	20.5
292.11960	2.2
297.12256	5.1
304.06799	3.2
322.11826	3.6
360.15472	2.3
370.14151	10.5
371.12384	7.1
388.15112	6.6
389.13419	26.0
406.10870	12.6
406.16159	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	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51759	0.5
55.01864	2.5
55.02100	0.5
55.05500	2.2
56.05034	6.4
57.03437	4.6
58.99307	0.7
58.99588	10.2
67.05508	1.1
68.05032	1.6
69.07056	2.4
69.34626	0.5
69.60271	0.8
69.60675	2.8
70.02991	0.7
70.06578	2.0
72.08133	0.9
73.01129	1.4
73.25042	0.5
73.35779	0.5
74.00646	1.5
74.02427	0.8
76.02227	22.7
76.03992	2.1
76.07681	0.5
79.05501	3.5
80.05034	1.3
81.03413	0.5
81.07060	17.0
82.06558	0.6
82.34326	0.5
83.06107	1.8
84.04506	27.1
84.08150	1.8
85.01144	3.2
85.02912	0.9
86.00658	5.1
86.06067	1.6
86.09700	0.7
86.99049	7.3
87.02696	7.1
87.04471	1.0
88.02225	2.3
93.07049	1.7
95.05009	0.6
95.08605	3.9
96.08145	0.9
97.01133	0.9
97.02888	0.6
97.06505	2.6
98.06043	1.9
98.06992	0.5
98.09694	13.0
98.21458	0.6
99.05560	1.0
99.08099	5.7
101.00611	0.8
102.05546	4.9
104.07165	0.6
105.07048	1.6
109.08894	0.7
110.09691	2.6
111.08145	0.5
112.03971	3.5
113.04227	5.1
114.03745	0.9
114.05545	0.5
115.05786	1.5
116.01679	22.9
122.09637	1.1
123.08039	0.9
123.10450	0.6
124.22562	0.5
127.05788	1.4
129.06569	3.4
129.07410	0.6
130.05020	7.9
130.06856	4.5
130.08617	1.6
131.08574	1.0
139.05765	2.3
142.03235	2.7
142.05002	0.6
143.02750	1.2
144.01154	8.3
145.05991	1.2
145.06984	0.8
149.09644	0.9
149.30858	0.6
156.08420	19.0
156.10201	12.1
157.06822	10.4
157.08757	0.6
162.02205	22.8
162.38048	0.5
167.07057	1.7
170.02687	1.0
172.73112	0.5
174.09485	13.1
179.04842	8.6
181.06139	0.7
181.12091	0.6
184.07906	0.8
187.05463	0.8
188.03740	0.8
189.03302	1.8
191.10667	0.5
204.80115	0.5
209.11697	0.9
210.11229	2.7
215.04794	0.9
216.06888	6.2
233.05853	2.3
242.08318	0.9
245.05919	0.8
258.90854	0.6
259.11124	100.0
260.09229	1.4
260.11868	2.7
277.12292	1.1
285.12607	1.6
313.12149	3.7
331.13229	5.4
362.21637	1.9
388.15259	1.2
388.23279	2.2
406.16400	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	406.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18287	0.8
53.00309	0.8
53.03940	2.5
55.01871	2.0
56.96555	3.5
57.03432	3.0
59.32000	0.7
60.04518	1.6
61.02919	4.8
61.69664	0.8
65.01628	0.7
65.21701	0.7
68.05013	2.5
69.03432	12.7
70.06581	2.0
70.82449	0.8
71.01338	2.5
71.04984	1.5
71.24062	1.1
71.24386	1.1
73.02902	2.1
79.05495	10.0
80.05012	17.7
81.03414	6.5
81.07026	1.7
82.06554	0.9
83.01337	4.4
83.04977	1.2
84.08131	1.1
85.02905	32.7
87.04462	1.8
91.03957	1.6
91.05477	5.7
93.07046	7.1
94.06566	23.0
95.04964	4.0
96.04547	0.9
96.08113	2.9
97.02894	12.4
98.06037	3.9
98.81073	0.8
98.97577	3.6
99.04408	0.8
100.80210	0.7
103.03909	0.9
103.05474	11.3
105.06989	1.3
106.06554	33.4
106.07272	1.7
107.04965	9.0
109.02877	3.3
110.06018	2.8
110.97559	1.1
111.04419	0.9
112.05094	1.3
115.53307	0.7
116.98632	3.0
119.01891	1.7
119.04921	4.2
120.08096	3.0
121.06503	16.1
122.05984	1.1
123.04311	0.9
124.03930	1.2
124.07586	22.1
125.05978	1.1
127.03927	5.0
128.98656	1.8
130.06514	2.4
131.04915	7.1
132.04453	2.0
132.08043	0.7
133.06467	1.7
134.99644	1.1
135.04402	1.1
135.26035	0.8
136.07607	2.2
138.05463	0.9
139.03922	4.7
145.04933	4.2
145.55562	0.8
146.99612	1.7
147.04353	4.0
148.07559	9.6
149.05978	22.8
150.09157	2.2
151.07530	1.8
158.05937	0.9
159.04427	11.7
161.01193	1.0
161.03023	1.2
163.07565	1.5
164.07082	2.0
165.05484	16.2
166.08594	2.3
167.07076	4.1
170.05167	1.5
173.02921	1.2
176.07060	14.9
177.00662	1.8
177.05507	16.1
179.07036	3.2
181.05090	1.0
181.08589	2.4
190.08612	0.8
191.07031	31.4
192.07332	1.7
194.08139	23.8
195.06575	7.2
195.08200	1.4
196.09758	1.0
197.08176	1.8
208.09688	19.5
209.08105	11.7
209.09998	1.7
212.09177	6.2
219.01741	1.7
226.10738	100.0
227.09117	4.7
227.11076	1.7
237.02756	3.9
244.11807	96.6
245.12006	2.1
286.12787	1.1
388.16083	4.1
406.11896	1.4
406.17072	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	406.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	43.7
57.75604	0.7
59.90578	0.7
69.07057	1.1
69.70659	2.3
69.71071	2.1
71.95273	4.5
72.96045	1.7
74.97614	2.0
79.05473	1.3
81.07039	1.2
82.59191	0.7
84.96046	0.9
89.13457	0.7
91.05486	1.1
92.98642	0.7
93.07022	0.9
95.08588	1.1
97.06519	1.0
97.96822	0.9
98.97551	1.1
103.00697	1.2
105.07007	0.8
110.97528	1.5
115.00676	2.1
116.98585	1.6
121.01713	0.9
123.01170	1.2
127.00719	0.9
128.98611	3.5
129.02293	0.7
133.01787	3.4
134.99670	1.0
137.02701	1.0
139.00671	1.0
141.02217	2.0
145.01721	1.9
146.99658	4.0
147.03310	2.0
149.01212	1.0
153.02258	1.1
155.03801	2.6
157.01733	1.5
159.03264	2.1
160.00528	0.8
161.01163	1.2
165.00696	1.2
167.03741	0.8
169.01733	1.3
169.05309	1.7
169.98907	1.0
171.03279	6.0
173.01190	1.4
173.04871	2.1
175.02783	1.3
177.04323	0.8
181.05315	1.7
181.12366	0.8
183.03296	2.6
185.04861	2.9
187.02837	1.5
187.06401	2.1
189.04361	9.5
191.05870	0.9
193.03839	1.6
195.06966	2.2
197.04872	4.5
199.06407	14.9
201.04350	3.4
201.08006	2.1
203.05893	6.1
205.05386	0.8
207.05296	1.0
209.04840	1.9
211.02872	1.4
211.06355	3.8
213.04549	0.8
213.07980	8.5
215.05881	2.8
217.05579	1.1
217.07477	28.4
219.09209	1.1
222.07971	0.8
223.06441	7.7
225.04137	1.2
225.07944	1.7
227.05899	3.9
227.64453	0.7
229.07407	7.7
229.71376	0.7
231.09036	11.0
235.06398	2.8
235.08589	1.4
237.07982	2.7
238.10861	1.5
239.09608	1.0
240.06723	1.1
241.07463	35.6
243.09076	2.6
245.06937	2.6
247.08441	5.8
249.08209	0.9
251.09348	0.9
253.07487	11.3
254.10829	0.8
255.08987	10.1
257.07080	1.2
259.08530	61.3
260.08734	0.8
261.10019	1.5
264.09149	1.7
267.08960	2.6
269.10626	1.4
271.08511	9.0
273.10065	6.7
276.08981	1.2
277.07034	1.3
277.09647	12.7
278.07910	1.2
282.07590	1.9
282.10269	5.0
283.08450	0.9
285.10083	3.0
294.10034	1.2
296.09305	1.2
298.17703	0.7
305.14093	1.3
319.15741	4.8
321.17206	1.1
329.14188	9.8
335.15308	1.2
337.16800	2.6
347.15280	78.8
348.15692	3.0
363.19006	1.1
365.16348	100.0
366.16699	3.1
370.16888	3.1
383.17404	72.5
384.17706	2.4
388.17938	9.0
389.18317	0.9
401.18451	4.9
406.18390	9.5
406.22968	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	406.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.5
56.96566	36.1
57.03428	1.2
60.00141	0.8
61.02912	1.0
61.61152	0.8
66.68052	0.8
67.05500	1.9
70.07383	0.8
71.08629	1.8
71.32497	1.1
71.32831	1.2
71.95245	3.4
73.02911	1.4
73.53409	0.9
74.97598	1.8
79.05473	2.4
81.07044	1.0
81.46114	0.7
83.04969	1.6
84.96040	2.0
85.02898	1.2
91.05477	0.8
93.07026	1.8
95.08609	1.0
96.08929	0.9
97.02894	1.1
99.08057	1.1
104.92121	0.7
107.08545	0.9
109.10165	0.9
115.00671	1.3
119.08601	1.4
121.10123	1.5
128.98627	2.0
131.00238	0.9
139.11230	1.0
146.99617	1.9
149.09546	1.0
153.02226	2.0
155.03801	2.1
159.03281	1.7
161.01129	0.9
167.03772	0.8
169.01646	1.1
169.05394	1.2
171.03268	12.5
173.04851	2.0
175.02719	1.2
181.05360	3.0
183.03319	4.1
183.06917	1.1
185.04779	2.3
187.02777	1.8
189.04349	27.9
191.05957	2.2
193.03835	1.1
195.06938	1.7
197.04897	4.9
199.06413	7.9
201.04373	6.7
201.07950	3.6
203.05887	3.7
207.05428	3.0
209.04915	4.3
209.06819	1.2
211.06435	1.9
212.05850	2.0
213.07971	4.1
215.05927	3.8
217.07439	15.3
219.05266	1.1
219.09024	2.9
223.06490	3.9
224.38733	0.9
225.04353	1.4
225.07953	1.4
227.05905	30.8
229.07471	12.6
231.09097	5.6
233.06972	1.4
235.08537	3.7
237.04285	1.1
239.05878	0.9
239.09578	1.3
240.09213	1.2
241.07483	21.5
243.09045	3.0
244.06221	1.1
245.06982	27.8
247.08568	11.7
249.07936	2.2
250.07614	2.5
251.05968	1.2
252.09052	1.1
255.08978	2.9
256.26166	0.9
259.08530	12.5
263.08011	1.8
264.09055	1.6
267.09036	14.7
268.08588	2.7
283.08478	1.0
285.10089	25.9
303.11008	1.6
308.11768	2.3
319.15845	3.8
321.17416	1.4
329.13977	1.1
337.16855	13.8
339.18460	2.9
347.15289	16.0
349.16791	1.0
355.17996	6.0
360.18481	1.3
365.16345	59.5
366.16696	1.2
383.17413	100.0
384.17886	2.8
388.17862	3.3
401.18384	14.3
406.18863	13.2
406.23206	1.1
406.35440	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	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.05511	10.4
56.96566	2.8
57.03444	3.1
61.02928	3.8
63.50545	2.4
65.03944	6.2
67.05513	40.3
69.03435	11.9
69.07059	9.4
69.67992	6.4
69.68407	9.4
70.06577	4.8
79.05488	13.4
81.03398	4.7
81.07072	14.1
82.63303	2.2
83.04977	17.4
83.60307	2.4
84.08131	5.6
85.02909	15.7
90.06683	2.4
91.05489	11.6
93.03397	4.7
93.07038	29.1
95.04970	97.7
95.08600	7.6
97.02904	4.5
97.06537	21.3
99.04453	2.8
103.00214	3.1
105.04477	2.4
105.07034	15.8
107.04964	5.5
107.08599	26.7
109.02982	2.4
109.06566	6.2
109.10186	4.4
111.04435	18.8
112.04860	2.8
112.17413	2.9
117.07005	5.5
119.08596	16.6
120.04474	2.6
120.08132	2.9
121.02853	3.1
121.06499	5.9
121.10148	38.9
123.08092	3.4
128.72659	2.8
133.10139	2.4
135.04410	3.3
135.08090	5.0
135.11703	12.3
137.05952	7.3
138.09134	3.7
139.03902	15.7
143.12831	2.7
145.05011	3.7
145.10129	14.6
146.06035	4.8
147.04391	2.6
147.10686	2.8
147.11652	12.6
151.03893	6.9
153.09077	3.9
155.32184	2.4
163.03925	6.5
163.11180	30.4
165.12758	100.0
167.03465	7.5
167.07045	5.0
168.07520	4.7
173.02408	3.5
174.09190	2.9
177.52361	2.7
178.08675	8.1
181.04991	5.5
181.12231	29.8
182.05345	5.7
189.09286	2.7
191.10603	21.2
191.14363	3.3
199.03122	5.9
204.07387	2.6
206.08144	4.1
209.11726	15.2
214.60793	2.6
215.07126	6.1
220.05186	4.8
220.09709	31.5
221.10435	18.3
222.11258	48.1
227.02650	4.8
227.12793	63.8
227.14990	4.3
244.09624	4.2
255.02130	4.9
259.09421	12.8
260.10004	7.4
287.04736	19.2
406.14783	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	35.8
56.05019	14.3
56.96569	7.5
57.03448	9.0
67.05499	19.1
69.03433	19.3
69.07059	14.9
70.06599	15.0
70.84248	16.0
71.04998	7.7
76.17152	6.0
76.76852	5.9
79.05498	13.0
81.03424	19.6
81.07063	34.5
83.04980	40.3
83.08607	22.4
84.04506	24.6
84.08146	34.5
85.02898	31.1
86.06065	24.7
86.09711	21.9
87.04456	27.8
91.05481	23.4
93.07037	32.9
95.04974	19.1
95.08598	15.5
97.02894	11.1
97.06539	15.3
98.06048	22.3
98.19456	6.8
98.21118	6.2
98.63322	6.1
98.97598	8.8
99.04448	6.2
102.05550	10.2
102.85080	5.7
104.07103	19.0
105.07035	19.7
107.08614	31.1
109.06518	33.7
109.10162	19.9
111.08076	12.0
112.07584	8.7
116.01701	15.0
116.98614	10.5
119.08576	13.7
120.08125	12.5
121.06514	6.9
121.10139	30.9
123.08037	7.3
123.11691	15.4
124.07604	7.9
126.05537	7.4
127.03885	6.3
129.10190	14.5
130.05051	6.1
131.08519	13.9
133.10120	29.1
136.07567	14.9
139.11157	7.6
145.10031	7.5
147.11737	16.9
149.09653	25.5
151.11189	27.6
153.09084	9.7
162.02219	7.3
163.14751	8.7
167.07133	8.3
167.10593	10.8
167.14311	24.7
173.13213	28.6
174.09494	8.9
175.14828	8.8
187.08678	16.8
191.14297	19.0
193.12283	8.3
207.13847	6.2
209.15353	100.0
227.16330	8.6
244.09746	15.8
244.15378	8.7
247.32277	6.5
259.11179	46.2
278.17657	10.9
315.06305	6.4
325.59610	6.4
344.20911	7.1
345.05807	5.8
362.21649	11.9
370.22256	16.5
388.23276	94.7
389.13254	14.6
406.15665	7.8
406.28281	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
55.05518	5.5
56.05043	5.2
56.96576	2.8
58.06604	14.7
60.04538	14.9
67.05508	13.0
69.03423	9.5
69.79456	13.6
70.06591	29.0
71.04996	3.3
72.08150	7.3
74.06087	4.5
74.46219	2.4
75.89110	2.2
76.02228	3.0
79.05477	13.6
80.05019	3.0
81.03419	12.0
81.07058	15.8
82.06548	3.4
83.04986	5.9
83.08597	3.6
84.04507	12.2
84.08138	10.9
85.02913	12.8
86.06078	17.0
86.09699	9.0
87.04494	20.4
91.05475	10.7
93.07041	11.1
95.04971	10.3
95.08605	10.9
97.02892	5.7
97.06526	8.5
98.06053	10.5
98.97586	8.8
99.04464	3.7
104.07111	12.2
105.07029	11.3
107.04938	6.1
107.08588	9.3
108.08231	2.7
109.06540	3.9
111.08067	3.0
112.07588	3.6
116.98653	2.8
117.07010	3.5
119.08606	7.0
120.08161	7.2
121.10138	13.7
123.08089	6.4
123.11713	12.0
124.07597	4.0
127.03896	2.5
129.07027	2.6
129.10228	10.2
130.06523	20.5
131.08557	6.6
132.04478	4.9
133.10152	6.0
135.07976	3.9
136.07584	8.1
137.05963	4.3
139.03928	4.6
144.33958	2.4
145.09952	2.8
147.04469	3.3
147.11708	7.7
149.09619	17.8
151.11186	6.3
154.65544	2.5
157.07678	6.5
158.06152	3.9
161.05940	3.9
163.07558	7.5
165.05481	3.9
165.12726	3.7
166.08640	8.2
167.07048	9.1
167.10718	17.3
175.08769	3.7
177.00764	3.5
177.12708	3.5
181.05127	3.5
188.03561	3.1
193.12244	11.3
194.08134	3.7
199.03099	2.6
209.11594	3.2
209.15288	4.4
210.14993	4.0
211.13364	4.3
223.08958	3.6
227.08745	5.4
227.16409	15.1
235.09758	3.7
244.09660	20.7
252.15944	5.2
255.07687	6.0
259.11151	6.0
262.11844	3.9
267.15860	6.5
271.49951	2.8
273.08707	3.5
278.17502	7.9
285.16974	5.1
290.11349	6.4
297.08624	6.0
302.15063	3.2
307.12399	4.0
338.94028	2.8
339.10083	3.6
344.20624	8.0
349.01099	2.8
357.10840	5.4
362.21494	3.7
370.22366	4.5
388.23334	100.0
389.13275	15.1
389.23438	4.8
406.20758	11.0
406.28049	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.05503	5.2
57.03438	4.4
63.70169	2.1
66.52381	2.3
67.05503	6.7
68.46882	2.2
69.03422	7.0
69.07055	7.3
69.27968	5.9
69.28374	16.7
70.06595	3.8
71.05015	5.5
79.05507	21.9
81.03381	2.7
81.07059	38.8
84.74359	2.2
85.02905	13.2
86.00526	2.0
86.06078	2.7
86.09697	2.4
91.05473	8.8
93.07047	15.1
95.04957	5.5
95.08582	11.5
95.65055	2.6
95.97768	2.0
97.02911	4.4
97.06548	16.6
98.06864	2.6
98.21597	5.0
98.97591	4.1
105.07028	8.9
107.04937	3.7
107.08595	100.0
108.08974	3.3
109.06519	4.0
109.10154	7.2
111.04426	2.8
115.07595	2.3
119.04958	2.8
119.08591	7.5
121.06452	2.6
121.10152	25.5
123.08083	5.7
125.09644	2.5
127.03945	2.6
131.08571	4.1
133.10118	10.6
135.11668	7.2
137.09689	5.7
149.13293	6.1
151.07550	2.7
155.08545	3.8
159.19044	2.2
161.13245	15.5
163.07564	2.6
163.14786	11.0
167.07027	5.1
168.07440	2.7
173.13213	4.3
177.12849	3.3
177.45700	2.4
179.14319	80.3
180.14624	2.8
181.04892	2.9
191.14314	30.6
193.15927	4.8
198.09166	2.2
209.15392	39.0
220.09711	2.8
244.09715	71.5
244.12184	4.8
245.10052	3.7
299.04819	3.4
307.15878	2.9
353.19479	4.5
370.08453	3.9
406.15005	3.9
407.17059	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.5
55.04885	1.2
55.05510	19.9
67.05495	3.5
69.03431	4.6
69.07057	1.9
70.06586	2.4
70.52438	2.5
71.04985	1.8
79.05492	2.9
81.07047	7.3
81.08530	1.2
83.04980	21.2
83.08620	16.1
85.02910	4.3
85.06553	1.6
86.09711	2.2
91.05463	3.0
93.07045	5.4
93.27625	1.1
94.12527	1.3
95.04985	3.0
95.08622	5.3
97.02882	2.0
97.06535	6.4
97.10157	2.5
100.11162	1.2
102.41920	1.1
105.07026	3.0
107.04980	1.5
107.08583	9.2
109.06519	2.7
109.10149	15.1
111.04433	1.5
111.08075	4.0
113.09674	1.2
117.07042	1.6
119.08578	3.1
120.08086	1.8
121.10139	5.4
123.08024	1.8
123.11707	5.7
125.09642	6.2
127.03957	1.3
127.11195	1.6
133.10136	4.8
135.08043	4.5
135.11705	3.5
147.11682	2.6
149.05966	1.3
149.13242	4.5
151.11176	28.1
153.09103	1.9
157.06458	1.4
161.05975	1.9
163.14877	2.6
167.07036	4.4
167.14320	33.2
168.07405	2.1
173.13246	3.8
177.00742	1.5
181.04987	2.1
191.14352	9.9
198.07684	1.4
206.08229	1.6
209.15370	100.0
227.16585	3.0
239.08260	1.4
240.08450	1.6
254.09972	1.7
258.09891	1.7
260.09985	1.3
273.82330	1.2
282.09726	2.3
284.09128	1.8
300.10461	3.4
309.08859	1.8
310.09024	2.7
328.09955	3.5
337.81891	1.4
343.13898	1.5
346.11105	7.0
357.10458	1.6
369.78732	1.5
374.10504	6.3
389.13248	3.7
406.13782	1.5
406.23898	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74820	3.1
55.01869	4.4
55.05508	17.7
56.96551	3.1
67.05492	9.0
69.03420	7.8
69.07072	4.9
69.18092	10.9
69.18510	22.0
70.06585	8.5
79.05473	11.3
81.07058	11.5
83.04984	18.2
83.08614	7.7
84.08135	8.5
85.02900	13.6
86.09697	8.0
89.35374	2.9
91.05459	7.2
93.07032	6.6
95.04971	79.2
95.08614	7.7
97.02910	5.8
97.06544	15.0
99.04447	18.7
99.08115	3.8
103.05492	3.4
105.07001	9.9
107.04929	4.2
107.08604	15.7
109.02854	3.8
109.06528	5.0
109.10152	12.3
111.04431	8.5
111.08112	4.0
117.07050	4.3
119.08600	4.0
119.79607	3.1
121.10159	9.4
123.11706	3.6
125.09613	6.3
131.08575	4.8
133.10146	9.6
135.08054	8.9
137.06030	4.7
139.03929	4.3
147.05614	3.5
147.11673	4.2
149.13287	5.2
151.11180	18.5
153.05429	4.6
153.09100	22.7
161.13312	3.4
167.14299	21.1
173.13245	5.9
174.42038	3.2
181.04977	4.5
191.14313	13.1
195.06456	4.6
209.11922	5.0
209.15378	100.0
210.85202	3.3
215.07060	4.3
222.11273	3.7
226.06868	4.0
226.10533	3.7
227.16551	5.6
237.02727	3.9
239.08131	4.1
240.08409	8.2
244.09692	3.5
246.13142	6.9
254.09944	9.1
258.09720	4.3
272.11182	6.4
282.09552	8.8
290.12253	3.5
300.10617	10.2
310.09018	11.3
328.10120	21.2
330.11801	3.6
345.10721	6.8
346.11130	40.8
374.10699	26.1
406.12927	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	407.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01866	3.8
55.05499	4.9
56.96561	2.4
57.03434	2.0
60.04516	2.4
62.25494	1.4
67.05504	7.6
69.03418	4.8
69.07061	4.5
70.06224	3.4
70.06593	48.8
71.04964	2.5
79.05511	7.4
80.77406	1.4
81.03415	4.3
81.07050	8.8
83.04991	3.4
83.08577	2.0
85.02907	3.4
91.05455	4.3
93.07037	6.9
95.04964	5.0
95.08591	9.5
97.02909	2.4
97.06538	14.6
97.10146	1.7
98.26735	1.5
99.04411	1.9
105.07011	6.9
107.04946	2.6
107.08576	5.2
109.02866	1.9
109.06510	2.6
109.10141	4.6
111.04407	3.2
113.06049	1.5
117.07000	2.3
119.08575	6.4
120.08117	5.6
121.06494	2.3
121.10120	5.2
123.11687	1.9
131.08548	4.4
133.06448	1.7
133.10147	4.6
135.08040	2.6
135.11646	2.6
143.08543	3.2
145.10121	4.7
147.11655	3.0
149.09637	1.6
151.07520	1.8
152.09152	2.0
155.08499	1.5
157.09822	5.5
159.11656	2.9
161.06003	1.6
161.09564	2.4
163.03856	2.0
166.08661	5.4
167.07097	4.0
167.08441	2.4
173.13220	2.0
185.09213	5.4
185.10742	4.2
191.03348	4.1
195.09177	1.9
209.07205	2.0
210.07840	2.0
211.08640	6.5
211.12122	1.9
212.09396	1.7
213.10234	4.8
215.07066	4.1
217.36554	1.7
221.11084	1.8
222.07808	2.8
223.08733	19.3
223.10660	2.5
224.09456	9.7
225.06654	2.8
225.10223	14.4
226.10895	4.8
227.11778	5.6
229.09824	1.9
237.10245	27.6
238.07379	3.6
238.10957	6.2
239.08110	5.6
239.11810	23.0
240.09035	2.5
241.09753	11.0
243.11304	3.1
245.10750	2.0
248.16112	1.5
249.10342	2.3
250.07339	3.4
251.08147	78.4
252.08870	8.0
253.09789	10.0
254.10477	4.5
255.11215	7.0
257.09177	4.8
257.12854	5.9
265.06924	2.4
265.09750	33.8
266.10315	4.9
267.11380	23.9
269.09229	32.1
269.12296	2.5
270.09479	2.5
271.10757	24.7
272.11258	1.9
279.07629	59.4
280.08096	2.7
283.10806	15.3
285.09677	1.9
285.12485	20.2
286.12961	2.1
293.09183	65.2
293.12460	3.7
294.09540	2.3
295.10742	10.6
297.08716	87.5
298.09134	5.7
299.13922	2.4
301.11896	5.2
303.13397	1.9
310.13867	3.7
311.10275	35.4
312.10983	3.0
313.11795	21.2
315.09750	4.8
315.13263	2.0
317.14899	5.5
321.08658	18.4
325.11862	12.2
327.13306	2.8
329.11319	61.4
330.11710	4.1
331.12912	18.9
334.71420	1.5
339.09760	52.2
340.09998	2.0
343.12790	9.0
345.14474	25.1
347.12204	6.6
357.10834	19.7
361.13962	18.9
363.15530	58.1
364.15891	2.0
371.12317	28.8
375.11819	21.7
389.13455	62.5
390.13922	2.7
407.14432	100.0
407.18979	6.1
408.14807	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	407.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77988	0.7
53.03945	1.1
55.01871	0.9
55.05515	1.3
56.36998	0.6
56.96554	4.0
57.03443	1.2
57.38536	0.7
61.02916	2.2
65.03949	1.7
67.05493	2.2
69.03425	6.7
69.07053	1.4
70.06603	4.1
71.04979	1.2
71.49321	1.4
72.08160	1.0
73.02909	0.9
79.05490	5.4
81.03410	4.6
81.07049	2.3
82.06541	0.6
83.04974	1.8
83.90724	0.7
84.08121	3.6
84.96031	2.7
85.02908	9.6
86.09700	1.9
87.04478	1.4
91.05470	2.6
93.07051	2.7
94.06556	1.0
95.01314	0.7
95.04971	3.9
95.08614	1.6
97.02894	4.7
97.06522	2.2
98.97574	8.3
99.04457	1.3
103.05477	2.4
105.07029	2.5
107.04956	6.7
107.08582	1.2
107.62316	0.7
108.04478	1.9
109.00525	0.8
109.02868	1.7
109.10123	0.7
110.06059	1.0
110.97593	2.3
111.02135	0.8
111.04437	1.7
116.98611	5.3
120.04468	3.4
120.08134	1.7
121.06522	2.2
121.10129	0.8
122.06035	1.4
123.04455	0.8
123.08070	0.8
125.06020	0.9
125.09589	1.1
127.03913	2.9
128.98605	3.4
129.07030	1.0
129.10245	2.2
131.04906	1.5
133.02831	1.1
134.99677	2.6
136.07587	0.8
137.05942	0.9
137.09627	2.5
138.05478	6.1
139.03883	10.4
145.05032	1.5
146.99646	3.2
147.04439	1.2
147.05539	1.1
147.11667	0.7
149.05972	1.8
150.05481	0.9
152.07085	2.3
154.05017	2.3
155.00131	1.7
158.99672	3.5
161.05989	1.8
165.05461	9.8
167.07047	7.8
173.01248	3.1
177.00720	4.7
177.05513	2.5
178.04948	8.6
181.05013	1.4
182.99646	1.9
185.02890	1.0
188.03413	8.9
191.07080	1.0
192.06561	1.0
194.08304	1.0
195.09306	1.0
196.06039	7.9
196.07637	1.0
199.08681	1.1
201.00662	4.6
203.02266	1.8
206.04480	1.8
209.08038	1.0
209.11037	0.9
211.04424	1.4
211.08737	1.5
211.13399	1.2
212.09132	1.2
213.07935	1.1
213.10297	2.4
213.42924	0.7
214.04974	2.3
214.08788	1.1
215.02348	0.7
219.01707	3.6
220.04953	1.5
221.10454	0.8
222.08116	1.4
222.99078	4.2
223.05426	5.8
223.08687	4.9
224.09389	1.4
225.10257	2.3
226.10855	0.8
227.08154	10.4
227.11780	1.5
237.02852	5.7
237.06111	0.9
237.10233	11.1
238.08733	1.3
238.10910	1.6
239.08231	1.2
239.11786	4.2
241.00111	3.8
241.09673	11.6
243.11311	0.9
245.09233	4.0
246.06479	16.3
249.07068	1.9
250.08150	0.8
251.08200	12.5
252.08765	1.1
253.00212	0.9
253.09637	1.1
255.07486	11.0
255.11293	3.3
257.12848	1.3
261.02808	1.1
264.09052	0.9
265.03842	1.2
265.09756	15.3
266.08066	1.4
266.10568	2.6
267.11288	4.8
268.09586	1.8
269.09207	41.2
270.09677	2.2
271.10797	1.7
273.08640	11.7
279.07651	21.5
280.08255	1.5
283.01233	2.8
283.04996	0.9
283.08237	1.1
283.10843	7.9
284.09174	1.7
285.12347	2.8
287.10239	3.8
289.11633	0.8
293.09195	22.5
295.10764	2.1
297.08698	55.1
298.09216	3.4
302.10229	1.2
304.08563	1.1
305.10767	1.3
311.10257	9.9
313.11798	4.1
314.10165	1.4
315.09747	26.6
315.13263	1.3
316.10468	2.9
321.04919	1.5
321.08621	12.3
322.09314	1.0
325.02545	1.7
325.11746	7.1
326.11917	2.1
327.09088	2.2
329.11258	5.4
330.09348	1.0
331.12982	0.9
333.10800	21.9
339.09753	35.7
340.10135	2.4
343.12866	11.4
347.12268	1.8
357.10828	14.5
371.12354	21.0
375.11682	3.9
389.13440	100.0
390.14005	6.2
407.13385	6.3
408.13721	1.0
427.09244	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	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.7
56.96556	2.3
57.07064	1.8
67.05499	4.1
69.07056	4.2
69.52908	2.8
69.53311	8.9
72.93784	2.1
78.83601	1.5
79.05486	3.6
81.03446	1.8
81.07060	3.8
81.98648	1.4
83.08604	2.5
90.94863	1.5
91.05464	4.0
93.07033	4.3
95.04978	3.1
95.08604	6.5
97.06567	2.4
98.20712	1.5
105.07024	2.8
107.04980	1.9
107.08601	3.6
109.10157	3.5
109.45549	1.4
111.11659	1.7
116.98463	5.1
117.07049	1.7
119.08582	6.0
121.10157	2.6
123.08076	2.1
123.11716	1.4
126.53806	1.5
131.00021	4.5
131.08531	2.8
133.06534	1.5
133.10110	2.3
135.11726	2.2
140.98479	2.0
143.00000	3.6
143.08609	2.2
145.10176	3.0
149.09593	4.2
157.10019	2.2
159.11606	1.6
169.10081	2.1
174.98976	3.6
183.11719	2.4
189.00549	3.3
199.02707	2.3
203.02075	3.6
245.04649	2.0
269.12222	2.4
281.10480	1.7
292.15302	1.6
307.15189	1.7
344.30942	1.5
366.14481	1.6
367.14334	4.6
389.22955	40.1
389.27301	1.4
407.24054	100.0
408.24118	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	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.2
55.93509	1.5
56.96548	3.3
57.07079	1.0
64.08913	0.9
65.96650	0.9
67.05482	2.8
69.07067	3.0
71.50269	1.5
72.93815	1.5
79.05482	3.2
81.07040	4.9
83.08602	1.1
83.87337	0.9
91.05467	1.5
93.07041	2.9
95.04974	1.7
95.08601	3.1
97.06547	1.6
105.07014	3.6
107.08582	2.1
109.10121	1.6
119.08563	2.2
121.10136	2.8
123.11682	1.3
131.08553	1.6
133.10114	1.2
135.08047	1.6
135.11629	1.2
143.08554	1.9
145.10107	2.5
159.11707	1.8
173.13246	1.6
177.86446	1.1
201.16400	1.3
208.02858	1.0
250.90829	1.1
269.30438	1.0
283.30399	1.1
306.27567	1.4
307.15112	2.5
328.06882	1.1
333.20267	1.5
347.18884	1.0
348.15079	1.4
366.16495	6.6
367.15851	2.2
383.17365	1.7
384.17758	10.5
389.18472	1.8
389.22931	47.3
390.23151	2.7
407.24014	100.0
407.32831	2.8
408.24405	6.1
425.30685	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	407.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
54.89584	0.7
55.05273	1.1
55.05510	11.7
56.96541	1.0
57.03434	1.0
57.07083	4.1
65.03938	1.0
67.05505	14.8
69.03414	1.0
69.07066	19.0
71.04989	1.4
71.08630	0.7
71.49362	1.0
79.05495	12.2
81.03423	1.8
81.07060	25.8
83.04979	1.1
83.08614	7.9
85.06522	1.4
91.05474	13.8
93.07047	21.2
95.04959	3.5
95.08609	40.3
97.06541	7.3
97.10187	4.7
99.08054	1.0
102.31100	0.9
105.07033	25.0
107.07892	1.6
107.08591	24.2
109.06483	1.6
109.10162	20.2
111.08080	2.2
111.11701	2.1
113.09614	2.3
113.71095	0.8
115.05392	1.3
115.90929	0.7
117.07007	7.8
119.07717	1.5
119.08577	26.9
121.06458	1.1
121.09345	1.4
121.10149	16.3
123.08079	1.5
123.11712	7.9
125.09638	1.8
128.06203	2.0
129.07014	7.4
130.11195	0.7
131.08578	16.9
133.10136	15.3
135.08073	1.5
135.11676	8.0
137.09608	1.1
137.13249	3.3
141.06964	3.7
142.07799	2.7
143.08572	15.6
144.09297	1.6
145.10124	26.6
147.08012	1.5
147.11671	12.8
149.09697	1.3
149.13245	9.9
151.14821	1.1
153.07040	1.1
154.07831	1.4
155.08554	10.1
156.09294	3.8
157.08836	1.0
157.10132	19.2
158.10814	1.3
159.08083	1.0
159.11687	17.2
161.09595	1.0
161.13243	10.9
163.11218	0.9
163.14819	6.5
165.05594	0.8
165.07011	1.6
166.07736	0.9
167.08578	2.6
168.09319	2.8
169.10132	17.9
170.10895	1.5
171.11670	14.8
172.12299	1.5
173.13252	14.3
175.14822	11.1
177.12810	1.2
177.16383	7.5
179.08528	1.6
180.09320	1.4
181.10120	9.2
182.10936	2.9
183.11700	14.8
184.12363	1.5
185.09575	1.1
185.13240	13.1
187.14825	17.0
189.12743	1.1
189.16388	10.7
191.14313	1.1
191.18001	2.6
192.09331	1.1
193.10135	2.6
194.10872	1.4
195.11685	10.0
196.12404	1.8
197.13260	9.6
198.13951	1.2
199.07652	0.8
199.14809	11.0
201.09186	1.1
201.16393	10.7
203.10706	0.9
203.18022	4.8
206.10886	1.0
207.11671	3.7
208.12424	1.2
209.13268	7.1
210.14001	1.3
211.14796	10.2
213.12860	0.9
213.16376	10.5
215.17937	8.9
217.15895	2.5
217.19472	1.8
221.13260	2.3
223.14850	4.5
224.15433	1.4
225.16345	10.0
227.14442	1.5
227.17950	8.7
229.15849	1.9
229.19487	5.4
231.17462	3.3
231.21062	0.9
233.13161	1.4
235.14810	2.8
237.16357	8.5
238.17244	0.9
239.17966	10.7
241.15784	0.8
241.19487	5.8
243.17448	2.1
243.21191	1.2
248.15758	1.0
249.16386	1.5
251.17960	16.5
252.18303	1.0
253.19507	11.4
255.17426	1.7
255.21107	4.8
257.19067	2.6
263.17941	2.8
264.18829	0.9
265.19501	10.3
267.21002	4.5
269.19037	7.7
269.22165	1.2
271.20621	4.9
277.19574	3.1
279.21011	4.5
281.22647	3.7
283.20584	8.5
291.21078	3.7
293.22601	2.4
295.24124	1.2
297.22025	1.2
303.20969	1.3
305.22653	3.9
307.24231	3.2
309.22369	1.1
309.25708	1.2
311.23730	1.4
319.24319	3.2
323.23706	2.1
331.24338	1.3
333.25720	4.6
335.27414	1.5
337.25104	1.3
347.27380	1.8
351.27005	2.9
361.28925	0.9
364.27386	0.9
365.28479	1.2
377.32297	0.9
379.33661	1.9
389.32053	40.9
390.32394	1.7
407.33093	100.0
408.33472	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	407.367
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05508	10.0
57.07065	5.1
67.05502	21.9
69.07069	21.0
69.37000	1.5
74.76208	1.1
79.05489	9.3
81.07056	42.2
83.08643	8.1
89.06015	3.1
91.05476	9.5
93.07040	24.0
95.07992	3.0
95.08607	60.0
97.10165	4.5
98.20827	3.8
100.37331	1.5
105.07030	21.5
107.08596	30.5
109.10159	47.1
111.11680	2.6
117.07054	3.4
119.08586	22.1
121.10146	24.4
123.11720	17.1
131.08574	13.1
133.08569	2.0
133.10124	19.7
135.11679	20.7
137.13261	14.6
143.08524	3.5
144.09334	2.6
145.10106	18.2
147.11691	14.4
149.13260	14.7
151.14819	1.8
157.10159	6.9
159.11705	18.5
161.13231	13.8
163.14812	8.8
171.11749	2.8
173.13283	9.6
175.14799	9.6
175.57597	1.4
177.16478	6.7
185.13287	4.2
187.14789	11.4
189.16397	14.0
191.17931	12.3
195.12296	2.6
199.14888	5.1
201.16380	18.3
203.17946	14.2
205.19482	5.0
213.16321	4.8
215.17995	15.9
217.19522	9.8
227.18005	2.8
229.19554	5.9
231.21176	4.3
241.19496	3.1
243.21144	6.3
245.26201	1.3
255.21054	8.2
257.22708	6.6
269.22641	10.2
283.24152	4.0
295.24173	1.9
297.25662	1.7
299.27365	2.4
311.27536	1.6
323.27310	2.3
325.29211	1.9
351.30548	3.4
365.31854	1.8
376.95203	1.7
407.36731	100.0
408.37173	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	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
52.64150	1.4
53.03932	1.5
55.05512	10.2
57.07069	5.0
65.03912	1.8
67.05503	19.8
68.61414	1.5
69.06744	1.9
69.07071	21.3
70.12138	7.5
71.08621	2.8
79.05482	11.4
81.07054	45.8
83.08633	9.3
91.05477	9.0
93.07045	23.5
95.08611	65.0
97.10160	4.0
98.20881	2.1
105.07027	23.4
107.08598	35.8
109.10159	41.7
111.11731	3.6
119.08587	32.1
121.10148	31.6
123.11723	15.8
131.08562	11.0
133.10152	22.5
135.11679	20.1
137.13246	12.3
143.08562	5.8
145.10126	19.0
147.11711	21.5
149.13260	15.2
151.14813	3.6
156.09300	1.9
157.10117	7.9
159.11699	22.8
160.12384	1.4
161.13277	19.2
163.14809	12.8
171.11700	4.5
173.13248	12.3
175.14874	12.0
177.16408	6.4
183.11623	2.1
185.13286	5.2
187.14842	10.9
189.16388	21.1
191.17975	15.6
197.13210	2.0
199.14790	7.2
201.16377	15.6
203.17970	20.6
205.19566	3.3
213.16396	6.1
215.17935	19.6
217.19528	12.0
219.21303	1.7
226.91949	1.5
227.18010	3.1
229.19473	8.7
231.21107	4.2
241.19577	3.8
243.21141	4.9
245.22667	3.6
253.19633	2.7
255.21043	8.2
257.22644	13.5
269.22684	11.5
281.22626	2.0
283.24280	2.7
297.25552	2.3
323.27417	2.1
337.28937	1.6
351.30652	2.7
360.91989	1.6
365.31976	2.3
407.36740	100.0
408.37085	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	407.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.9
57.07067	5.0
67.05505	14.2
69.07073	16.8
70.02690	1.5
70.03085	2.9
70.19904	0.8
71.08634	1.9
79.05495	7.2
81.07058	33.9
83.08614	7.2
91.05472	6.0
93.07040	15.7
95.08609	52.5
97.10176	3.3
104.28829	0.9
105.07034	16.8
107.08595	26.2
109.10162	31.2
111.11681	1.8
111.69610	0.9
117.07001	3.2
119.08591	21.4
121.10150	19.3
121.83168	1.0
123.11704	13.2
129.07022	1.8
131.08559	8.8
133.10141	13.7
135.11691	13.2
137.13251	12.5
143.08528	5.0
145.10117	13.9
146.24809	1.2
147.11690	14.7
149.09586	1.5
149.13257	13.8
151.14821	2.0
155.08553	2.5
157.10089	5.4
158.10864	1.1
159.11694	14.7
160.12428	0.9
161.13239	10.9
163.14812	8.2
165.16405	1.5
169.10023	1.4
171.11732	6.4
173.13254	9.1
175.14838	8.0
177.16370	5.3
183.11769	1.7
185.13264	5.4
187.14822	7.5
189.16393	10.2
191.17944	10.5
197.13306	3.5
199.14835	6.6
201.16386	13.5
203.17957	13.1
205.19542	3.7
211.14880	2.9
213.16360	5.9
214.17157	0.9
215.17941	10.4
217.19508	8.5
225.16486	1.4
227.17897	6.0
227.72002	0.9
229.19539	7.9
231.21129	2.0
239.18007	1.5
241.19440	4.7
243.21072	3.4
245.22681	2.0
253.19553	2.6
255.21095	9.7
257.22610	22.9
267.21194	1.4
269.22638	13.6
271.24274	2.9
281.22681	2.5
282.12000	1.0
283.24130	3.1
292.20370	0.9
295.24225	2.5
297.25803	3.6
309.25784	2.0
311.27347	2.4
323.27338	3.0
325.28998	1.6
337.28845	2.2
351.30411	2.5
364.31174	1.7
365.31973	2.8
407.36728	100.0
408.36981	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	407.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
53.14899	0.9
55.05510	12.4
57.07084	4.7
57.20755	0.9
65.03934	1.3
66.16150	0.8
67.05501	21.6
67.38936	0.8
69.07062	19.9
69.28557	8.7
71.08624	2.4
79.05493	11.2
79.23238	0.8
81.07054	47.2
83.08620	10.3
91.05469	10.4
93.07042	26.3
95.04982	2.2
95.08604	67.2
97.10161	5.7
105.07025	26.7
107.08589	45.0
108.08911	1.0
109.06506	1.2
109.10151	44.4
111.08044	0.9
111.11706	2.7
117.07024	3.9
117.23792	0.8
119.08581	42.6
119.72392	0.8
121.10137	36.1
123.11705	21.8
128.06256	1.0
129.07033	1.5
131.08569	11.8
133.10129	27.4
135.11691	23.2
135.12737	1.2
137.13249	9.3
141.06920	0.9
142.07779	1.1
143.08575	3.9
145.10123	16.7
147.11681	23.3
149.13254	19.7
151.14819	1.6
155.08630	1.5
156.09286	1.1
157.10153	6.1
158.10791	1.3
159.11688	21.8
160.12323	1.2
161.13252	25.3
163.14804	14.2
165.16385	1.0
169.10106	2.1
171.11719	6.0
172.12442	1.2
173.13275	13.6
175.14825	12.8
177.16383	9.1
179.17926	1.4
181.10106	1.1
183.11772	1.5
185.13268	4.4
187.14841	9.4
189.16376	23.3
189.17953	1.7
191.17929	20.0
195.11659	1.0
197.13205	2.8
199.14815	5.3
201.16382	13.8
203.17943	28.7
205.19604	3.7
211.14853	1.7
213.16370	4.8
215.17946	12.6
217.19487	21.3
219.21185	2.4
227.17883	4.2
229.19511	8.9
231.21156	4.6
239.17970	1.5
241.19559	3.9
243.21123	6.0
245.22617	1.8
253.19568	2.5
255.21072	8.4
257.22647	5.8
259.24182	1.5
269.22632	7.0
271.24234	2.0
283.24243	2.9
285.25784	1.1
295.24197	1.3
297.25705	4.6
309.25684	2.2
311.27310	2.8
323.27328	1.8
325.28888	1.7
337.28714	4.5
351.30524	3.2
364.31210	1.3
365.31943	2.6
389.27600	1.5
407.36749	100.0
408.37262	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	407.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.05513	11.9
57.07073	7.7
59.14825	0.9
62.90710	1.0
65.03919	1.4
67.05505	22.1
69.07068	20.5
70.13542	4.0
71.08629	1.3
79.05489	14.5
81.07054	48.7
83.08614	11.0
91.05482	14.2
92.80930	0.9
93.07042	28.6
95.04974	2.9
95.08607	73.0
97.09641	0.8
97.10162	5.8
98.20881	1.3
103.05450	1.1
105.07029	29.9
107.08594	45.0
108.08907	1.1
109.10154	47.1
111.11705	3.0
117.06981	4.5
117.76464	0.9
119.08575	50.1
120.08895	1.3
121.10145	41.8
123.08072	1.5
123.11701	23.7
128.06378	0.9
129.07014	2.2
130.07808	1.0
131.08562	12.2
133.10127	29.1
135.11690	24.8
137.09630	1.3
137.13235	10.5
141.06920	1.0
142.07770	2.5
143.08545	4.6
144.09361	2.1
145.10117	21.4
147.11687	26.4
148.87233	0.9
149.09639	1.6
149.13249	20.8
150.13556	1.0
151.14772	2.3
155.08519	1.4
156.09387	1.2
157.10132	7.7
158.10931	1.3
159.11674	23.5
160.12413	1.0
161.13255	26.2
163.14815	17.5
169.10168	2.8
171.11752	5.0
173.13266	14.7
175.11263	1.5
175.14816	15.9
177.16374	9.8
183.11757	1.5
185.13266	4.8
187.14799	11.7
189.16380	29.0
191.17940	23.0
192.18428	0.9
195.11783	1.2
197.13297	2.9
199.11519	1.0
199.14807	5.1
200.15404	0.9
201.16383	16.1
203.17934	24.3
205.19534	5.2
209.13266	1.8
211.14876	2.4
213.16295	4.6
215.17969	17.5
217.19507	22.2
218.19968	1.4
219.20995	2.2
225.16464	1.8
227.17943	4.0
229.19489	7.9
231.21068	4.7
241.19485	3.7
243.21057	7.2
245.22714	3.5
247.04465	1.0
253.19716	1.1
255.21043	5.8
257.22754	5.5
259.24268	2.1
269.22644	5.4
271.24326	2.9
281.22824	1.4
283.24277	4.0
285.25861	1.6
295.24158	1.2
297.25790	4.8
309.25757	1.3
311.27240	1.7
323.27286	2.4
325.28839	1.9
337.28903	2.8
351.30414	2.4
361.27243	1.0
365.31964	1.5
381.04550	1.0
382.33542	1.0
391.24179	1.2
407.18839	1.8
407.36749	100.0
408.37085	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	408.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	31.7
58.59128	0.7
67.05496	1.1
70.64182	0.7
70.64521	2.4
71.95257	2.8
72.96010	0.7
74.97632	1.0
77.58898	0.7
82.00137	0.7
84.96037	0.8
86.19396	0.9
93.07029	1.4
97.06528	1.4
103.00695	1.2
110.97601	1.3
115.00693	1.9
128.10349	0.7
128.98581	1.4
133.01781	2.1
143.00113	1.1
146.99654	1.8
153.02177	0.9
155.03764	1.4
157.01726	0.9
159.03279	1.2
169.01740	0.9
169.05403	0.8
169.75868	0.7
171.03325	4.6
173.01204	0.8
173.04843	1.3
175.02687	1.1
181.05405	1.6
183.03322	2.0
185.04843	2.3
189.04367	6.3
189.08087	1.1
191.05804	0.9
195.07222	0.9
197.04883	2.7
199.06410	10.2
201.04306	1.8
201.07967	2.1
203.05893	5.1
207.09146	0.8
209.04938	1.3
211.06462	1.5
213.07974	6.4
215.05869	1.3
215.09628	1.0
217.05498	1.4
217.07494	20.9
219.09035	1.8
223.06429	5.4
227.03343	0.7
227.05873	2.0
227.09540	1.2
229.07458	6.6
231.09074	9.0
233.04767	0.8
235.06323	1.9
235.08429	0.9
237.07959	1.0
239.09592	1.2
241.04924	1.3
241.07463	24.5
243.09120	2.2
245.07051	1.9
247.08557	5.0
251.09621	1.2
253.07465	8.2
255.09050	2.4
257.10678	0.9
259.08539	41.5
260.08832	1.7
264.08954	1.9
271.08487	7.1
273.10089	1.8
276.09106	1.1
277.09604	7.7
282.10239	3.0
307.15649	1.1
321.17349	1.1
323.18817	1.0
331.15717	8.7
339.18430	2.6
349.16846	53.4
350.17303	2.4
357.19601	1.1
367.17911	100.0
368.18225	6.0
372.18542	2.9
376.61981	0.9
385.18988	62.3
386.19345	4.3
390.19437	5.6
403.20059	4.2
408.19620	4.6
408.24597	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	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
55.01866	9.5
55.05507	14.4
56.05025	5.6
56.96573	25.7
57.03422	8.6
57.07084	4.2
59.04996	4.2
60.04535	4.4
61.02871	3.5
67.05506	31.8
69.03429	29.2
69.07063	17.8
71.04990	18.3
73.02904	6.1
79.05491	37.9
81.03407	20.2
81.07065	31.2
82.06570	4.2
83.04987	10.6
83.08605	13.6
85.02901	31.9
85.06506	6.7
86.09692	9.3
87.04454	10.8
91.05476	22.4
93.07042	30.7
93.23259	3.6
94.06552	19.4
95.04972	14.5
95.08601	39.9
96.08129	5.9
97.02896	19.7
97.06531	45.0
98.97557	18.2
99.04443	8.2
103.05444	6.0
105.07029	26.6
107.04948	15.3
107.07361	4.6
107.08592	22.5
109.02877	8.2
109.06523	10.7
109.10133	25.2
110.97501	4.7
111.04427	5.6
111.08076	16.5
115.07532	4.4
116.98634	7.5
117.07029	5.9
119.08598	24.4
120.08132	7.8
121.06535	6.3
121.10140	13.2
122.09676	37.7
123.08084	35.7
123.11685	14.3
125.05975	4.8
125.09553	5.1
127.03934	10.9
128.10701	24.1
128.98602	8.2
129.05453	5.3
131.04919	9.1
133.02831	10.4
133.06512	3.9
133.10136	32.0
134.99638	6.5
135.04370	4.9
135.08035	4.0
135.11674	23.7
137.06017	10.2
137.09647	7.4
139.03883	6.1
140.10695	90.6
141.09117	9.3
141.12572	3.4
143.08601	5.1
145.01723	6.3
145.10123	12.3
146.99666	12.3
147.04378	5.0
147.11699	10.7
149.05992	13.5
149.09520	4.2
149.13275	11.2
151.11205	3.4
157.10114	4.2
158.11755	5.8
158.99709	4.9
161.06001	7.0
162.05447	5.7
165.05522	7.0
167.07036	32.9
167.15506	3.6
169.12207	7.4
173.05963	5.0
175.14804	43.9
181.04997	6.2
187.07584	4.9
193.12250	7.0
193.15883	46.4
203.05370	5.6
204.10165	6.8
208.09685	5.8
210.11188	11.2
211.13297	34.2
211.16914	88.6
211.18820	6.4
215.06810	4.5
217.08647	4.0
219.01718	9.5
227.02328	10.5
229.14282	11.4
235.09650	6.1
237.02846	27.4
245.03368	8.4
258.11462	4.6
289.04178	4.3
293.06949	6.7
300.15955	18.3
303.08813	6.9
311.08081	6.7
312.09393	11.2
316.08749	6.0
317.09521	6.8
345.17236	4.4
346.16507	40.6
390.19049	12.3
390.29993	12.0
391.11874	4.6
408.31506	33.9
409.18338	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	409.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	0.8
70.32644	2.3
82.01064	0.5
83.04926	0.5
84.04503	0.7
91.05473	1.5
120.09618	0.6
124.69228	0.6
128.45245	0.5
185.04166	2.8
246.05032	1.7
247.05780	15.3
271.24182	0.6
409.11057	100.0
409.18079	6.4
410.11517	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	409.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.7
69.03403	0.6
69.20597	0.6
69.22066	0.6
69.89293	3.2
70.06588	2.0
72.08149	0.7
78.78466	0.6
79.25108	0.6
84.08150	1.2
85.02902	1.6
86.09691	1.7
91.05468	1.7
97.02903	0.8
107.72578	0.6
120.08134	1.0
121.23502	0.6
129.10202	1.0
145.04921	0.7
147.04410	0.6
163.67903	0.6
177.00783	0.6
185.04247	6.3
209.99022	0.6
223.73427	0.5
246.04993	1.9
247.05797	9.2
247.93352	0.6
265.32968	0.6
378.08902	0.6
409.11038	100.0
410.11288	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	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69620	0.4
69.03436	0.6
69.62344	3.2
70.06591	0.5
71.37442	0.5
71.39491	0.5
81.07056	0.5
85.02936	0.6
88.55089	0.4
91.05462	0.5
95.01315	1.1
95.08626	0.6
98.97568	0.5
119.61212	0.5
146.61377	0.5
177.45735	0.5
179.27757	0.4
203.05330	0.7
208.36874	0.4
215.06979	0.7
235.09720	0.6
243.06638	0.6
247.13100	2.6
409.18332	100.0
410.18903	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27064	0.2
57.24837	0.2
67.05487	0.3
69.03430	0.3
70.06597	0.3
71.48916	0.2
71.49348	0.3
71.76396	0.2
75.97562	0.2
79.05492	0.3
81.07038	0.3
83.04987	0.2
85.02903	0.3
91.05470	0.3
93.07064	0.2
95.01303	0.4
97.02945	0.2
97.06535	0.5
105.07011	0.2
107.01051	0.2
107.04926	0.3
107.08590	0.2
111.04488	0.3
137.05943	0.2
147.11667	0.2
194.12268	0.2
203.05322	0.4
215.06973	0.3
229.12161	0.9
247.13049	3.2
409.18344	100.0
410.18695	2.2
420.27023	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	409.1833
Annotation	Woodhousin
Peak:m/z	Relative Intensity
54.35688	0.4
68.10486	0.4
69.96525	1.4
69.96935	0.9
81.53297	0.4
102.19508	0.5
107.97388	0.5
120.01061	0.5
128.36238	0.5
134.28532	0.5
203.05408	0.8
263.13992	1.2
372.39346	0.5
409.18341	100.0
410.18671	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	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16956	0.3
55.05497	0.6
56.96555	0.7
67.05515	1.5
69.07063	1.1
69.45164	2.5
79.05490	1.0
81.03415	0.3
81.07058	1.4
82.65453	0.3
83.04964	0.5
83.08636	0.4
87.33695	0.3
91.05499	0.8
93.07034	1.3
95.04953	0.5
95.08617	1.7
97.06532	0.4
97.10140	0.5
105.07024	1.0
107.08592	0.8
109.10133	1.1
118.67877	0.3
119.08584	1.0
119.32098	0.3
121.10126	1.1
123.11692	0.5
131.08533	0.6
133.10112	0.5
135.11691	0.8
145.10133	0.5
157.10162	0.5
159.11729	0.5
165.09126	0.4
169.10117	0.4
173.13197	0.4
181.10068	0.3
185.13257	0.3
203.14369	0.3
229.07526	0.5
241.27795	0.3
247.08528	0.3
282.43030	0.3
295.15207	0.5
309.16635	0.5
331.15802	0.8
349.16931	1.8
350.17209	0.4
367.18002	0.9
368.18436	0.5
386.19363	0.5
391.33783	0.5
409.25601	100.0
410.25970	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	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.05513	2.2
56.96551	1.1
57.03426	0.4
57.07064	0.5
67.05513	4.3
69.03425	0.4
69.07082	2.2
70.63231	1.2
71.04988	0.4
79.05489	4.7
81.03432	0.5
81.07061	4.0
83.04977	1.0
83.08610	0.7
90.43580	0.4
91.05505	3.4
91.11391	0.3
93.07042	4.8
94.11324	0.3
95.04973	2.4
95.08595	3.2
97.06519	1.5
97.10215	0.4
97.36914	0.4
105.07032	3.3
107.04967	2.1
107.08629	2.4
109.06492	0.7
109.10143	1.6
117.07063	0.9
119.08585	2.6
121.06513	0.9
121.10119	2.5
123.11641	0.5
129.06958	0.5
131.08568	1.5
133.10114	2.9
135.08058	1.6
135.11726	0.9
137.09613	0.5
139.11177	1.1
143.08597	0.5
145.10117	1.5
147.08012	0.4
147.11703	1.1
149.09607	0.8
155.08633	0.5
157.10103	0.7
159.11697	0.5
163.03972	0.8
173.13194	0.6
204.92343	0.4
207.13832	0.4
219.13834	0.5
221.55940	0.4
229.19652	0.5
247.20648	1.0
257.18872	0.6
275.20065	9.5
285.10062	0.5
295.15121	1.1
301.12692	0.5
309.16519	0.5
349.17068	0.9
367.18045	1.3
408.22266	0.4
409.25604	100.0
410.25967	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	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94959	0.4
53.03942	0.4
55.01865	0.5
55.05520	2.2
55.05727	0.5
56.96553	1.2
57.03437	0.4
57.07062	0.4
67.05499	3.7
69.03429	0.7
69.07070	2.7
69.47219	2.4
69.47630	0.7
71.04984	0.5
79.05161	0.4
79.05494	3.8
81.03397	0.8
81.07064	3.8
83.05000	0.8
85.06519	0.6
91.05478	3.8
93.07040	4.4
95.04962	2.9
95.08604	3.6
97.06501	0.8
97.10166	0.6
98.21622	0.4
99.43724	0.4
105.07030	3.7
107.04953	2.5
107.08583	3.0
109.10136	1.1
117.06987	1.0
119.08584	3.3
121.06512	1.0
121.10141	1.9
123.11676	0.7
125.09656	0.4
129.06995	0.9
131.08546	1.9
133.10139	2.4
135.08020	1.7
135.11655	0.7
137.09569	0.4
137.13232	0.4
139.11189	1.3
143.08614	0.6
145.10121	0.9
147.11659	1.2
149.09615	1.4
157.10190	0.7
162.55147	0.4
163.14798	0.4
173.13170	0.5
183.11710	0.5
185.76929	0.4
191.00058	0.5
203.12646	0.7
207.13690	0.5
247.20557	0.7
257.19067	0.6
275.20068	12.1
276.20517	0.5
285.09814	0.4
293.20990	0.6
295.15048	0.6
301.12872	0.6
309.16901	0.5
336.38312	0.4
349.17163	0.7
367.18073	1.2
409.25601	100.0
410.26035	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01867	2.1
55.05510	15.6
57.03413	2.5
57.07068	7.6
59.04987	4.1
65.03934	2.0
67.05499	18.4
69.03423	7.1
69.07068	11.0
70.59340	5.1
71.04977	2.8
79.05490	20.3
81.03398	2.3
81.06600	2.5
81.07053	31.1
83.04976	2.7
83.08604	3.7
85.06545	4.9
91.05471	34.6
93.07038	43.8
93.71019	1.5
95.04962	44.0
95.08000	1.9
95.08604	31.7
97.06547	9.1
103.05467	4.8
105.07024	100.0
105.32609	1.6
107.08582	28.5
109.06535	11.2
109.10161	11.8
111.08095	3.5
115.05460	2.5
117.07024	12.2
119.08574	62.7
119.59367	1.5
120.09299	1.4
121.06511	16.9
121.10146	14.2
123.08044	18.4
123.11713	3.9
128.06204	6.2
129.07016	5.8
130.07774	2.7
131.08571	21.2
133.06476	5.8
133.10132	16.6
134.79071	1.6
135.08055	9.9
135.11656	6.0
137.09583	8.7
137.13229	3.2
141.06982	3.2
142.07764	10.0
143.08549	12.7
144.09323	3.3
145.06523	2.6
145.10112	32.1
147.08020	13.4
147.11682	35.9
149.09587	8.9
149.13226	3.9
151.07536	15.0
152.15248	1.7
153.86583	1.9
155.08507	5.5
156.09354	3.7
157.10120	19.9
158.10954	1.8
159.08046	5.2
159.11688	13.3
160.08824	2.3
161.09604	8.7
161.13264	6.5
163.11180	5.1
163.14848	2.8
165.09094	32.0
167.08562	2.1
168.09254	2.8
169.10170	10.0
171.11664	9.6
173.09633	4.0
173.13206	9.0
175.11186	25.8
175.14777	2.5
177.09050	3.4
178.09688	2.2
179.08426	1.7
181.10115	5.3
183.11687	8.0
185.09474	2.4
185.13235	7.1
187.11098	2.7
189.12743	5.0
189.16342	2.2
191.14272	2.3
195.11758	2.7
197.13322	4.2
199.11150	2.6
199.14822	4.0
200.19987	1.5
201.12714	6.7
201.16434	2.7
203.14333	11.8
207.11890	2.2
207.13824	6.0
209.13257	4.5
209.15230	3.4
211.14754	4.4
215.14392	2.5
215.17908	1.6
219.13777	2.8
221.13333	2.5
221.15343	56.1
229.15820	4.9
233.15366	3.7
234.14059	3.0
234.16130	15.2
253.19560	2.0
255.21091	2.3
267.17346	1.7
269.22360	1.8
271.20325	1.8
286.19418	1.9
287.20053	6.1
300.20740	2.1
329.20996	4.5
391.26089	2.3
391.33899	2.1
409.19016	11.4
409.27255	34.0
409.34378	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	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
50.12999	2.1
50.38064	1.7
51.02361	1.9
52.99178	1.6
53.03941	3.7
55.01850	3.5
55.05508	20.2
57.07067	6.5
58.49562	1.5
59.04994	2.5
65.03961	1.7
67.05505	21.8
69.03423	10.1
69.07075	9.7
71.04987	2.0
71.41353	2.8
79.05490	23.8
81.03423	3.9
81.07051	41.9
83.04971	6.5
83.08605	3.2
85.06525	4.6
91.05477	41.3
93.07043	49.5
95.04964	59.9
95.08601	40.2
95.90038	2.0
97.06528	8.7
103.05479	5.2
105.07028	100.0
107.04916	2.2
107.08597	31.9
109.06532	13.2
109.10149	13.1
111.08078	2.3
115.05404	4.3
116.57825	2.0
117.07012	18.0
119.04934	4.3
119.08578	74.2
121.06503	21.3
121.10146	16.2
123.08053	22.5
123.11719	2.2
125.06013	2.5
125.09608	2.7
128.06230	5.2
128.14484	1.7
129.07024	9.6
130.07762	5.4
131.08577	27.0
132.09407	2.8
133.06511	4.0
133.10138	25.9
135.08061	18.9
135.11668	8.6
137.05991	2.7
137.09624	12.1
141.06973	6.3
142.07808	13.6
143.08554	18.9
144.09364	5.4
145.06508	2.9
145.10114	46.3
147.08023	16.6
147.11685	40.1
149.09621	12.1
149.13278	3.1
151.07539	22.2
153.06984	2.6
153.09103	3.8
155.08562	7.0
156.09291	10.2
157.10123	26.6
159.08038	6.6
159.11676	20.2
161.09625	10.4
161.13193	9.0
163.11214	6.0
165.09105	39.1
166.07649	2.1
167.08551	2.5
167.10526	1.9
168.09296	3.1
169.10167	13.1
170.10754	2.4
171.11713	12.3
173.09578	6.4
173.13272	9.7
175.11198	28.3
175.14839	2.9
177.09138	2.9
179.10751	2.0
181.10158	6.0
181.12228	3.7
182.10843	1.8
183.11719	13.2
185.13274	8.2
187.11221	6.5
187.14833	4.7
189.12727	7.6
191.14246	2.8
193.10112	3.0
195.11655	5.0
197.13266	5.3
199.11223	4.4
199.14856	3.4
201.12762	7.8
201.16504	2.9
203.14339	15.8
206.10999	3.2
207.11844	4.2
207.13802	8.9
209.13289	3.6
209.15318	4.1
211.11372	2.0
211.14868	6.0
213.12773	4.9
213.16306	2.3
215.14388	4.0
219.13852	4.3
221.13194	4.7
221.15352	73.4
222.15785	3.0
223.14967	1.9
225.12921	2.1
225.16307	2.3
229.15887	5.3
231.13780	4.5
233.15370	5.3
234.16107	18.5
235.14857	3.6
249.16537	2.2
253.15909	4.2
283.39957	1.9
286.19196	3.4
287.20197	9.1
300.20941	5.2
325.91779	2.2
329.21115	7.3
391.26459	7.1
409.18436	4.2
409.27313	51.9
409.33667	2.9
410.27612	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01872	2.9
55.05511	17.8
57.07082	9.3
59.04980	3.6
63.70573	1.6
65.03947	2.4
67.05503	22.7
69.03421	7.1
69.07076	11.1
69.27388	4.7
69.27808	12.2
71.05003	4.0
71.05405	1.6
75.97234	1.6
79.05486	24.7
81.03416	3.7
81.06607	2.8
81.07057	38.1
82.33331	1.6
83.04964	4.8
83.08605	5.1
85.06544	3.7
91.05478	37.4
93.07039	48.1
94.07397	1.6
95.04963	47.8
95.08604	37.0
96.08939	2.8
97.06535	6.2
97.10181	1.7
97.66611	1.6
103.05476	2.8
105.07030	100.0
106.07313	2.1
107.08597	22.4
109.06530	10.6
109.10151	15.4
111.08096	2.0
115.05456	3.4
117.06996	14.7
119.04953	2.1
119.08582	72.1
121.06509	15.2
121.10143	18.4
123.08071	16.2
123.11715	3.9
128.06210	4.1
129.07001	10.1
130.07773	5.3
131.08568	22.5
133.06474	4.1
133.10115	16.9
135.08054	14.4
135.11697	9.2
137.05995	2.2
137.09627	9.3
141.06972	4.6
142.07782	11.9
143.08568	13.7
143.65619	1.5
144.09326	4.1
145.06490	2.9
145.10118	35.8
146.10692	1.4
147.08049	18.9
147.10547	2.6
147.11688	39.7
148.08978	1.7
149.09613	13.0
149.13263	3.5
150.10408	1.8
151.07541	19.1
153.09084	2.1
155.08533	5.0
156.09300	5.0
157.10121	21.1
159.08034	5.4
159.11665	12.2
160.08757	2.1
161.09587	7.6
161.13263	7.0
163.11145	6.4
163.14861	3.2
165.09117	33.1
165.90436	1.8
167.08488	2.9
168.09393	2.9
169.10121	7.6
170.10910	2.0
171.11685	12.4
172.08951	1.7
173.09651	7.9
173.13228	8.6
175.11182	27.4
175.14835	3.1
177.09097	4.6
178.09837	2.7
179.08522	2.0
181.10129	6.5
183.11668	9.0
185.09576	1.8
185.13234	7.0
186.14008	1.6
187.11104	2.2
187.14767	3.3
189.12738	5.3
191.14246	1.8
193.10236	2.9
195.11572	2.3
197.13284	5.0
199.11142	1.8
199.14844	2.4
201.12720	7.1
201.16380	6.4
203.14325	15.2
207.11955	2.1
207.13829	6.5
209.13275	4.1
209.15361	3.6
211.14822	5.4
213.12701	3.7
213.16405	2.0
215.14212	2.1
216.15047	1.8
217.15913	1.8
219.13847	5.3
221.13216	4.3
221.15361	68.8
222.15799	2.5
229.15916	5.0
231.13905	2.5
233.15424	3.6
234.16141	17.4
263.17862	1.8
286.19131	2.8
287.20120	5.4
300.20834	4.8
329.21017	5.3
391.26236	6.0
391.33508	3.1
409.18210	7.7
409.27292	40.3
409.34592	8.8
410.27719	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	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.62365	1.0
53.03937	4.6
55.01864	3.4
55.05511	20.1
57.03397	1.2
57.07074	9.6
59.04395	1.2
59.04993	5.2
59.15709	1.2
65.03944	1.8
67.05505	22.7
69.03427	8.8
69.07064	8.4
71.02115	2.7
71.04969	1.9
77.03919	1.2
79.05491	23.4
81.03407	2.3
81.07057	36.5
83.04974	5.1
83.08610	4.1
85.06521	3.7
91.04919	2.0
91.05486	41.1
93.07047	55.5
95.04970	51.2
95.08609	36.2
97.06524	12.7
97.10168	1.4
100.13712	1.3
103.05476	4.0
105.07033	100.0
107.04960	2.2
107.08599	28.5
109.06516	14.4
109.10161	13.3
111.08092	2.3
115.05480	3.2
117.07018	15.8
119.04958	2.1
119.08585	71.6
119.89049	1.2
121.06509	17.4
121.10146	15.0
122.07284	1.7
123.07219	2.4
123.08069	26.5
123.11728	2.2
125.05994	1.3
128.06235	6.9
129.07001	10.8
130.07794	5.1
131.08568	30.2
132.09314	1.7
133.06467	4.5
133.10141	21.0
135.08054	14.1
135.11699	4.5
137.05986	1.7
137.09625	12.2
139.11069	1.6
141.06987	4.1
142.07791	15.3
142.69794	1.3
143.08560	19.2
144.09302	3.9
145.06483	3.3
145.10124	45.5
146.07205	1.3
146.10835	2.4
147.08066	19.6
147.10527	2.5
147.11694	38.6
148.08806	1.1
149.09613	13.2
151.07555	27.4
153.06958	3.0
153.09125	2.9
154.07780	2.8
155.08577	11.0
156.09369	7.6
157.10124	28.6
157.11362	2.1
158.10822	1.9
159.08075	8.2
159.11700	18.0
160.08817	1.3
161.09619	12.0
161.13280	6.5
163.11147	7.4
165.07011	1.6
165.09117	37.5
166.07767	2.1
167.08609	4.1
167.10645	1.4
168.09369	6.0
169.10129	15.4
170.10884	3.5
171.11678	14.3
172.08804	1.9
173.09642	7.2
173.13248	8.5
174.10368	2.4
175.11185	20.4
175.14767	2.2
177.09102	5.3
178.07837	1.3
178.09862	3.4
179.08556	2.3
179.10732	1.7
181.10187	5.6
181.12193	3.7
182.10927	2.9
183.11688	14.4
185.09602	1.9
185.13268	7.3
187.11191	5.4
187.14804	4.2
189.12747	8.8
191.14351	3.4
193.10083	2.1
194.10887	1.6
195.11722	5.1
196.12465	3.1
197.13261	4.5
199.11192	5.2
199.14827	3.1
200.12061	1.4
201.12701	10.4
201.16412	3.1
203.14316	16.4
204.14723	1.4
205.10201	1.3
207.11699	3.0
207.13820	9.4
208.12498	1.5
209.13251	5.2
209.15385	3.3
211.11224	1.8
211.14827	9.1
213.12758	4.5
213.16345	1.6
215.14281	2.3
216.15030	2.1
219.11830	1.7
219.13838	4.7
221.13402	3.0
221.15361	71.2
223.14871	2.4
225.12712	1.7
225.16405	2.6
229.15939	6.1
231.13797	4.2
233.13286	1.4
233.15398	4.0
234.16145	11.7
239.14368	2.6
239.17975	1.6
241.15968	1.6
251.17894	1.4
253.15919	2.2
257.15454	1.2
267.45212	1.3
267.66849	1.2
269.19043	2.1
271.17026	2.8
286.19336	4.8
287.20081	8.8
299.19958	3.2
300.20737	5.5
313.21326	1.5
317.21228	2.9
329.20947	6.2
335.20038	1.3
373.25146	2.5
391.26227	10.7
409.18555	3.4
409.27368	64.2
409.34247	3.2
410.27469	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55003	1.1
53.03938	3.0
55.01874	1.3
55.05514	17.2
57.07084	6.5
59.04998	2.8
65.03924	1.5
67.05505	16.7
69.03427	6.9
69.07065	7.9
69.45549	7.3
69.45969	3.5
71.54732	1.2
79.05492	16.3
81.03419	1.8
81.06606	2.0
81.07053	28.4
83.04993	3.1
83.08604	2.1
85.06541	2.8
91.05481	35.8
93.07050	40.5
95.04973	45.4
95.05584	2.2
95.08610	26.7
96.08983	1.6
97.06537	7.6
103.05481	4.5
105.07031	100.0
106.07313	1.6
107.04975	1.9
107.08592	22.9
109.06541	11.5
109.10162	10.6
115.05431	2.6
117.07009	11.5
119.04920	1.8
119.08585	60.0
120.09399	1.8
121.06510	15.4
121.10143	15.0
123.08076	16.6
123.11769	1.8
125.06017	1.6
125.09605	1.6
128.06242	4.3
129.07028	6.4
130.07762	4.6
131.08572	20.3
133.06462	3.4
133.10121	16.3
135.08052	12.1
135.11678	5.6
137.09604	8.1
137.13185	2.0
141.06940	4.1
142.07784	12.4
143.08537	13.0
144.09337	3.7
145.06474	3.1
145.10123	34.1
147.08023	18.2
147.11684	43.0
149.09618	11.5
149.13219	1.5
151.07555	19.2
153.06992	2.7
153.09070	2.0
154.07826	1.9
155.08521	6.8
156.09309	3.7
157.10143	15.6
159.08058	5.4
159.11694	10.8
161.09563	7.3
161.13274	4.7
163.11177	5.9
165.09119	30.8
167.08574	2.8
168.09363	3.7
169.10123	8.6
170.10886	2.0
171.11694	9.6
173.09616	5.0
173.13228	5.5
175.11179	30.1
175.14864	1.6
177.09070	5.3
178.09845	2.4
179.08543	1.8
179.10658	1.3
181.10164	3.2
182.10999	1.7
183.07985	1.3
183.11690	8.2
185.09642	2.0
185.13284	5.7
187.11197	4.7
187.14799	2.7
189.12764	4.5
191.14288	2.6
193.10216	2.3
195.11679	2.3
196.12340	1.4
197.13268	3.8
198.10532	1.3
199.11191	3.1
201.12744	8.6
201.16367	3.7
203.14310	11.2
207.11861	2.8
207.13818	8.8
209.13342	3.5
209.15363	2.2
210.13972	1.4
211.14908	7.0
213.12877	2.0
215.14282	1.9
219.13785	4.2
221.13300	1.9
221.15343	57.3
222.15781	2.0
223.14867	1.9
227.14316	1.7
229.15871	5.6
231.13762	3.6
233.15382	3.0
234.16162	17.2
253.15880	2.1
257.15454	1.6
269.18951	1.7
286.19241	3.8
287.20047	6.6
300.20801	3.8
329.21152	2.7
335.20212	1.9
391.26324	5.5
391.33820	2.2
409.18286	5.3
409.27328	36.4
409.34735	3.4
410.27286	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.5
53.03931	3.6
55.01855	2.5
55.05281	1.5
55.05511	18.4
57.07067	7.2
59.04987	4.4
62.06109	1.4
65.03934	2.4
67.05191	1.8
67.05500	21.6
67.75507	1.3
68.53006	1.3
69.03426	8.8
69.07058	6.7
71.01868	1.5
71.02197	2.7
77.03941	1.5
79.01582	1.5
79.05486	25.3
79.91444	1.5
81.03394	2.3
81.07051	39.5
81.07537	2.0
83.04956	5.8
83.08596	4.5
85.06514	5.6
89.40005	1.3
91.05471	42.9
92.05885	1.4
93.07040	55.0
95.04961	55.4
95.08602	35.1
97.06510	8.9
103.05412	4.0
105.04501	2.7
105.07024	100.0
107.04967	2.0
107.08591	32.6
109.06524	13.9
109.10147	13.3
113.09605	2.0
115.05433	3.3
117.07009	15.1
119.04932	3.0
119.08574	62.5
121.06491	18.7
121.10139	22.2
121.47962	1.3
123.08055	18.7
123.11699	3.3
125.09599	1.8
128.06201	6.2
129.06989	8.9
130.07785	5.8
131.08565	23.1
133.06458	5.6
133.10112	19.5
135.08038	16.1
135.11688	4.9
137.05925	1.6
137.09608	8.9
140.09438	1.3
141.06978	5.9
142.07782	13.0
143.08571	19.3
144.09326	6.0
145.06462	3.9
145.10121	44.5
147.08032	18.9
147.11685	40.1
148.12009	2.3
149.09615	12.3
151.07539	21.3
153.06981	1.8
153.09021	2.4
154.07816	2.5
155.08521	7.9
156.09314	6.6
157.10123	21.4
158.10828	2.2
159.08038	7.6
159.11703	14.9
161.09639	10.0
161.13231	6.6
163.11160	6.6
165.07013	3.1
165.09106	32.2
167.08549	3.4
168.09286	3.8
169.10120	10.3
170.10864	2.1
171.11713	11.6
172.12408	2.2
173.09592	8.0
173.13287	10.5
175.11177	26.8
175.14713	2.3
177.09137	5.6
179.08551	2.8
179.10641	1.5
180.53653	1.7
181.10085	6.0
181.12250	2.0
182.10928	3.8
183.11685	12.3
185.09579	2.7
185.13251	7.2
187.11237	3.9
187.14798	3.4
189.12715	8.6
191.14302	3.3
193.10045	2.9
195.11685	5.3
196.12442	1.9
197.13243	4.4
199.11177	3.1
199.14792	3.6
201.12617	8.3
201.16418	4.4
203.14276	16.1
206.11069	1.5
207.11684	3.7
207.13800	9.5
209.13239	4.9
209.15216	3.0
211.14781	7.5
213.12743	3.6
215.14281	2.9
216.15137	2.2
219.13739	3.1
221.13358	2.9
221.15340	69.9
223.14848	2.6
225.12735	2.0
225.16290	2.5
229.15952	6.9
231.13831	3.5
233.13246	1.9
233.15404	3.4
234.16106	13.1
235.99660	1.5
243.13667	2.0
249.16110	1.5
253.15903	3.7
263.18054	1.9
271.17004	2.9
286.19266	3.9
287.20111	9.2
299.19998	3.3
300.20801	4.0
313.21704	2.2
329.21072	4.0
335.20047	3.2
353.21082	1.9
357.63959	1.5
373.25372	1.6
391.26114	5.7
409.18198	6.1
409.27289	50.7
409.34711	4.4
410.27646	3.0
422.99030	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	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50119	1.7
53.03942	3.1
54.94721	1.8
55.05510	16.4
57.07070	8.5
59.04989	2.0
67.05507	28.9
69.03426	5.1
69.07072	24.9
69.37869	4.4
69.38284	12.0
71.08623	2.7
76.33748	1.9
79.05494	25.7
81.07060	60.0
83.04975	4.6
83.08613	10.0
85.06538	7.9
87.82928	1.9
90.02486	1.8
91.05476	28.8
91.15057	1.9
93.06503	3.2
93.07048	48.0
94.07375	2.3
95.04976	25.5
95.08611	86.2
97.06533	5.3
97.10180	5.1
98.21555	4.2
105.07034	63.2
107.08598	69.7
107.09326	3.9
109.06518	7.4
109.10159	46.3
113.00010	3.3
115.05420	2.4
117.07011	8.9
119.08581	59.5
120.93962	1.8
121.06496	9.5
121.10151	54.4
123.08060	8.8
123.11721	18.2
128.06276	2.1
129.06976	3.7
131.08572	17.7
133.06534	2.6
133.10141	35.3
135.08067	11.2
135.11697	29.4
137.09601	6.9
137.13261	7.1
141.07018	2.4
142.07785	4.6
143.08537	11.2
144.09386	2.6
145.06453	2.3
145.10129	35.9
147.08058	8.8
147.11710	32.6
149.09622	7.1
149.13269	31.7
151.07539	6.6
155.08560	4.0
156.09335	4.1
157.10121	13.2
159.08061	2.4
159.11708	22.6
160.08847	2.1
161.09622	5.3
161.13260	20.1
163.11171	7.1
163.14803	28.2
165.09100	14.4
165.16414	3.0
168.09297	2.3
169.10149	5.3
170.10939	2.9
171.11717	10.6
173.09627	2.6
173.13245	12.6
175.11198	13.3
175.14801	22.2
177.09200	2.3
177.12805	4.8
177.16383	24.3
179.14291	2.6
183.11729	5.1
185.13271	7.3
187.11105	3.4
187.14822	22.8
189.12784	6.5
189.16389	26.5
191.14317	3.6
191.17961	17.8
193.15903	4.0
197.13315	3.6
199.14883	3.8
201.12759	2.3
201.16377	13.3
203.14275	11.5
203.17957	59.2
203.19815	4.1
205.15865	30.7
205.19514	4.8
207.13802	3.3
209.13069	2.3
209.15390	1.9
213.16385	5.3
215.17949	11.6
217.19447	11.6
219.17441	5.0
221.15343	27.9
225.16469	3.9
227.18025	4.7
229.19510	4.6
231.13786	2.2
231.17436	8.1
231.21095	3.3
231.63039	1.8
233.19153	3.9
234.16177	3.3
239.17934	2.3
241.19548	4.4
243.21103	5.2
245.19035	4.3
252.04178	2.0
253.19514	3.1
255.21069	4.4
267.21078	3.9
271.20642	4.2
287.19998	3.8
295.24033	2.4
335.27158	2.0
381.35303	3.8
391.33655	34.6
409.18350	5.2
409.27426	14.7
409.34641	100.0
410.34833	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	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85439	0.9
53.03934	1.5
55.05513	9.6
56.96567	1.6
57.07074	7.9
65.03917	1.1
67.05501	17.7
68.76723	1.1
69.07067	19.1
70.81722	2.6
71.05002	0.9
71.08611	1.5
79.05485	10.1
81.07054	30.8
82.03951	0.9
83.08627	10.8
87.59586	1.0
91.05476	10.8
93.07041	18.3
95.04969	1.3
95.08605	49.6
97.06500	1.2
97.10157	4.5
99.83551	1.1
105.07030	23.7
107.08585	27.9
109.06512	2.4
109.10153	31.6
111.08067	2.1
111.11728	1.7
117.07021	6.7
119.08585	28.8
121.09350	1.7
121.10143	20.6
123.08028	1.2
123.11700	15.7
125.09652	1.3
129.06979	4.9
131.08568	16.3
131.55109	1.0
133.10121	16.8
134.65253	1.0
135.11688	11.6
137.13246	16.2
141.06993	4.3
142.07744	2.5
143.08553	12.5
144.09271	1.5
145.09074	1.6
145.10126	18.7
147.11691	17.2
149.13255	13.6
151.14815	6.2
155.08542	10.8
156.09225	1.6
157.10138	13.6
158.10880	1.9
159.11691	14.8
161.13248	14.9
163.14825	8.7
165.12729	2.4
165.16402	3.0
167.08536	1.3
168.09344	1.2
169.10138	11.0
170.10805	1.4
171.11673	13.8
173.13261	13.3
175.14818	19.2
177.16414	6.3
179.14320	1.9
179.18001	1.4
181.10120	2.2
183.11696	11.8
184.12358	1.5
185.13219	8.5
186.13962	1.6
187.14815	10.0
189.16393	9.1
191.14346	2.8
191.17976	3.4
195.11708	4.1
196.12491	1.9
197.13257	8.5
199.14790	10.0
201.12622	1.2
201.16368	13.5
203.14275	1.4
203.17947	3.9
205.19441	3.3
209.13258	3.0
210.14032	2.9
211.14810	7.9
213.16353	9.6
215.17946	6.1
217.07571	1.2
217.15771	1.1
217.19495	6.4
223.14810	3.3
224.15544	1.6
225.16377	20.6
225.18552	1.5
227.17892	9.2
229.19489	4.1
231.17395	3.0
231.21103	3.3
233.19003	2.4
237.16391	2.2
239.17957	15.3
240.18681	1.3
241.19527	10.2
243.17462	22.0
243.21085	3.3
245.18985	3.0
245.22658	1.1
251.17818	1.6
253.19501	11.3
255.21117	7.5
257.18979	12.6
259.20535	5.2
265.19513	2.8
267.21063	6.0
269.22656	3.5
271.20541	7.1
279.21051	2.9
281.22708	1.7
285.22128	2.3
293.22696	3.7
295.24124	1.1
307.24216	1.7
309.25790	1.1
321.25720	3.6
335.27423	1.4
337.29056	1.2
349.16873	3.0
349.28870	1.9
351.18402	1.2
353.28384	1.2
391.33566	56.2
392.33948	3.6
409.26303	15.0
409.34619	100.0
410.35013	4.3
415.82721	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	410.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
54.29757	0.5
55.01869	0.6
55.05499	0.5
56.96561	0.6
57.03440	7.5
60.04525	0.9
61.02929	3.0
69.03438	6.4
69.52378	0.5
70.06577	1.1
70.72073	1.2
70.72430	0.7
71.01349	1.0
73.02522	1.0
73.02920	16.1
79.05484	0.9
81.03420	100.0
81.07043	0.6
82.03781	0.6
83.04980	1.0
84.04505	0.6
84.08155	1.3
85.02911	9.5
86.09693	1.2
87.04477	0.9
91.03933	0.6
91.05486	1.4
93.07052	1.2
95.04977	2.0
97.02893	9.0
98.97575	0.8
99.04447	1.2
103.03921	0.6
105.07043	0.9
107.04931	0.8
107.08585	0.9
109.02879	1.2
109.06528	0.8
110.07168	0.5
111.04488	0.5
111.08089	1.4
112.49579	0.4
115.03922	7.0
116.98636	1.1
119.04948	0.8
120.08096	1.1
121.02903	0.7
121.06540	1.7
123.04437	1.1
127.03878	2.9
129.10309	0.8
132.06566	0.8
133.05011	2.0
135.04402	1.0
135.08054	1.7
136.07607	1.8
137.05980	0.8
139.03978	0.8
145.04935	2.9
147.04382	0.8
149.06020	0.8
150.07643	1.6
151.07555	1.5
158.99710	0.7
161.05966	0.5
163.06180	0.7
163.07581	1.1
165.05534	0.6
171.10109	0.5
179.07065	0.5
181.08633	1.0
185.04111	0.8
195.06593	1.7
195.10178	0.8
199.02757	0.7
203.08105	0.9
213.07635	4.2
213.11212	5.9
223.06004	0.7
225.07668	1.5
231.07777	1.5
248.06024	1.1
249.08722	0.9
249.16093	0.7
300.76251	0.5
408.44113	0.5
410.11310	12.2
410.16159	0.7
411.12250	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	410.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	10.3
56.96569	9.2
57.93565	4.2
67.05498	9.6
69.07037	5.3
71.50178	4.8
76.23473	4.5
79.05473	8.6
81.07013	6.9
86.09710	4.1
86.95567	3.9
91.05451	7.0
92.88908	4.1
93.06989	6.0
95.04981	5.2
95.08598	4.9
98.97450	5.2
103.02204	3.6
104.10725	9.1
105.07041	5.0
109.10200	6.7
116.98479	100.0
128.98474	4.4
131.00017	48.0
132.97942	5.5
133.10086	4.7
134.99500	27.1
135.11702	5.8
140.00066	7.4
140.98471	27.1
143.00027	44.0
144.97923	5.7
145.01579	55.6
145.10168	6.0
146.99525	12.4
149.01088	13.0
153.02150	3.9
155.00070	4.5
157.01605	14.5
158.99510	9.5
161.01083	23.8
163.02657	17.5
167.03671	4.2
168.03188	4.8
169.01593	4.3
170.99487	9.8
171.03133	4.8
173.01132	22.9
174.98999	69.0
175.02618	9.1
177.00545	27.5
181.01585	5.5
185.01111	28.5
185.04755	5.4
187.02640	14.7
189.00566	61.4
191.02112	8.1
199.02602	13.0
201.04245	7.0
203.02124	28.5
203.05717	4.7
211.02673	6.5
213.04205	17.8
215.05698	19.9
217.03661	7.5
231.05299	14.6
263.09393	4.2
271.08405	11.3
295.08395	24.2
309.09851	16.1
333.17346	4.5
351.14587	65.4
351.18542	19.9
369.15710	72.8
369.19589	14.5
370.15662	4.6
385.15173	5.1
387.16776	79.0
388.16550	5.4
392.17328	6.8
410.18243	44.8
410.25891	14.8
411.12723	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	410.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.05516	4.2
56.05035	3.7
57.03426	1.2
57.07054	1.4
62.11448	0.6
65.03928	1.5
67.04232	2.7
67.05497	2.8
69.07082	3.2
70.06601	0.7
71.50317	0.8
71.90837	0.5
79.05496	8.0
80.05025	3.4
81.03418	0.8
81.05805	0.8
81.07054	14.1
82.06578	49.7
83.04977	1.6
83.08623	7.1
85.02904	4.1
91.05470	4.8
93.07036	6.9
94.06566	49.9
95.04973	4.7
95.07340	1.7
95.08586	2.9
96.08111	4.1
97.06528	1.8
97.10145	1.2
98.09698	10.8
98.33860	0.5
103.05454	4.1
105.04465	0.6
105.07018	2.3
107.08572	1.4
108.08121	9.2
109.06519	3.1
109.10157	1.4
110.09670	2.9
112.07595	0.9
119.08577	1.0
120.08099	16.0
121.06499	1.6
121.10116	1.4
123.11713	0.6
126.09151	42.3
127.09438	1.0
138.09134	100.0
139.07544	1.3
139.09474	3.0
152.21033	0.5
156.09024	1.0
156.10207	14.3
157.10100	0.7
159.11676	0.7
160.50871	0.5
165.12823	0.5
175.93779	0.5
189.16277	0.6
216.00632	4.7
249.07417	0.7
252.18120	0.6
254.24843	1.2
272.25809	2.1
282.24252	1.2
336.28912	1.7
362.30463	1.8
374.30576	2.4
380.31531	3.2
392.31726	3.1
410.18292	0.6
410.32629	7.2
411.12534	1.7
411.32864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.7
57.07077	39.1
65.77295	1.8
67.05495	9.6
69.03408	2.6
69.07063	5.5
71.08630	26.7
71.50265	2.4
73.06548	6.9
79.05493	5.0
80.05847	2.7
81.07054	9.9
82.07381	2.8
83.08588	3.1
85.10181	24.3
87.04474	2.4
89.06030	100.0
91.05476	6.6
92.05809	2.5
93.07049	10.3
94.07373	3.3
95.04976	6.7
95.08601	11.0
96.05301	3.6
96.08975	2.3
97.10184	3.6
99.11713	6.5
105.07029	16.9
106.07377	6.0
106.60531	2.4
107.07109	3.3
107.08596	6.0
108.08895	2.5
109.06527	3.8
109.10134	5.2
113.21226	1.9
119.08586	11.1
120.08902	5.6
121.06506	3.8
121.10187	2.2
122.86880	2.2
123.08034	3.2
130.08615	3.5
131.08572	3.9
132.08911	2.4
133.08597	53.2
133.10139	6.4
138.09113	2.5
142.07715	3.0
142.81943	2.2
143.08545	2.9
144.37903	2.5
145.10118	4.1
146.10416	3.4
147.08020	4.7
147.11685	5.0
148.12007	2.4
149.66893	2.3
151.07527	3.6
151.09673	4.3
152.07910	3.1
155.17953	4.0
162.09985	2.9
165.09117	4.4
166.09471	4.6
171.11604	3.0
173.13193	3.3
177.11212	12.9
199.20509	3.4
221.15433	5.5
222.15671	9.2
222.19122	2.3
239.14885	26.6
240.23384	1.9
243.23158	6.4
265.43225	2.1
313.47076	2.9
393.31992	30.7
410.18845	2.9
410.27771	9.6
410.35272	4.3
411.12506	7.8
411.17398	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	411.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55163	2.9
55.05516	3.3
56.05040	3.1
56.96562	8.8
57.03445	4.5
59.63913	2.6
61.02934	3.6
63.18375	2.6
63.69040	2.9
63.92127	2.5
67.05503	2.8
69.03428	10.5
69.07068	4.3
70.06598	12.5
71.49190	3.7
72.08153	8.2
73.02905	3.4
79.05502	5.5
80.02619	2.8
81.03430	6.4
81.07067	5.9
83.04983	4.2
84.08144	14.7
84.90275	2.8
84.96049	2.7
85.02915	23.2
85.03366	4.0
86.09710	5.7
91.05482	6.2
97.02924	8.5
98.97572	15.2
100.07658	3.6
105.07029	6.6
109.06526	4.2
110.06069	7.9
110.97609	3.4
116.98655	7.9
120.08141	5.4
122.06053	3.0
122.09669	5.4
127.03910	3.7
128.98625	10.7
129.10243	3.7
133.06496	5.5
134.99660	4.7
136.06165	5.6
136.07573	27.1
138.69899	2.7
146.99692	8.1
147.04446	6.9
147.05554	18.0
147.85558	2.8
148.11166	3.5
161.05951	7.4
161.09602	3.7
163.05023	7.3
164.07016	3.2
164.10747	7.0
176.10707	25.5
176.14389	4.7
177.00710	4.6
185.07114	6.5
189.00677	3.0
203.08107	4.9
203.73880	3.0
207.06458	3.2
213.06628	7.0
219.01794	7.8
219.14929	100.0
231.07771	6.0
237.02832	20.1
237.16055	10.3
247.05734	3.5
249.08755	36.9
249.11261	12.0
273.54910	3.4
365.06564	3.1
393.12976	3.8
411.11664	47.1
411.20905	23.6
411.36380	4.2
436.24866	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	411.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52742	0.4
54.54610	0.4
54.68318	0.4
71.10205	0.8
76.03796	0.4
78.94569	0.4
83.66396	0.4
134.92693	0.4
139.72072	0.4
156.05975	0.5
156.09196	0.4
178.83736	0.5
179.03163	8.1
183.60022	0.4
185.04276	1.2
217.04764	1.0
231.06281	0.6
249.07332	22.9
255.08394	14.4
255.10907	0.9
257.91422	0.5
306.26782	0.4
411.12604	100.0
412.12900	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	411.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68732	0.5
60.15047	0.5
70.84641	0.8
70.84962	0.7
74.51916	0.5
131.01880	0.6
150.58696	0.5
158.38113	0.6
178.27539	0.6
179.03163	8.0
185.04237	1.1
204.73285	0.6
217.04637	1.3
249.07350	24.9
250.07605	0.8
255.08411	14.8
263.81583	0.6
377.32913	0.6
411.12628	100.0
412.12897	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	411.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.05494	0.6
56.05014	0.4
57.03423	1.1
61.02927	0.8
67.05493	0.4
69.03429	2.0
70.06579	1.0
70.74705	0.9
72.08157	0.5
73.02942	0.5
79.74352	0.3
81.03415	1.1
83.08646	0.4
84.04486	0.4
84.08161	0.9
85.02909	6.7
86.09747	0.4
88.74020	0.3
91.05491	0.3
93.07035	0.5
95.05004	0.7
95.08562	0.5
97.02905	1.5
98.20926	0.4
98.97583	0.5
99.04453	0.6
100.78154	0.4
103.03947	5.8
104.05029	0.7
107.04974	0.4
107.08594	0.5
109.02908	0.9
110.06044	0.4
120.04470	2.3
121.06546	0.4
121.66006	0.3
127.03905	0.9
129.04517	3.2
129.10237	0.4
130.02898	0.6
132.04539	0.4
133.06514	0.4
133.09985	0.3
134.06001	0.5
136.07590	0.7
147.05533	98.9
148.05931	2.2
151.91362	0.4
159.05527	0.5
165.05362	0.5
176.10715	0.9
177.06602	13.1
181.08614	0.5
182.09050	0.4
185.05449	0.8
185.07100	15.1
186.07553	0.5
189.06628	4.5
194.64207	0.4
196.41803	0.3
203.05275	3.5
212.95261	0.4
213.06595	10.8
213.08652	0.6
214.06828	0.4
219.14926	3.9
231.07724	6.0
231.09668	0.4
231.11316	1.3
237.02776	0.4
249.08716	100.0
249.12427	6.4
250.09052	2.9
309.11960	0.7
375.11633	0.7
393.13058	2.0
411.16638	10.8
412.16235	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	411.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45325	0.7
55.01848	1.2
56.04993	0.6
57.03391	3.0
69.03429	10.1
70.06527	3.0
71.04958	0.8
71.48595	0.6
71.49059	1.3
72.08113	1.2
78.67500	0.7
79.05457	1.1
81.03366	2.5
81.07023	1.1
82.02934	0.7
84.08097	1.6
85.02911	18.4
86.09677	1.2
91.05475	0.8
95.04931	1.6
97.02887	4.0
99.04410	1.3
103.03345	0.9
103.03943	13.8
105.06979	1.0
108.08057	0.8
109.02863	1.5
110.06003	2.8
117.07051	0.7
119.83498	0.7
120.04424	2.7
120.08069	2.6
121.36087	1.2
122.09660	1.2
127.03899	4.6
127.52860	0.8
129.03580	1.4
129.04494	25.0
130.02838	1.2
136.06735	0.7
136.07599	11.1
145.04939	1.4
147.05534	34.4
148.11226	1.1
151.03822	0.9
164.10655	3.5
176.10713	8.7
176.14313	1.8
176.56560	0.7
180.68607	0.8
185.07106	100.0
186.07399	1.8
189.06598	4.2
195.06635	0.8
203.05299	3.9
213.06593	51.5
214.06885	1.0
219.14929	40.4
231.07660	13.0
231.09903	1.3
231.13547	1.1
237.16087	3.1
243.45424	0.8
245.23206	0.7
249.08751	13.2
249.12482	0.8
250.70567	0.8
353.15872	3.9
375.11868	33.8
376.12259	1.5
393.12936	21.4
394.13312	1.1
411.12494	2.1
411.20279	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	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
50.70710	0.4
55.05505	0.5
55.78896	0.4
66.40006	0.4
69.03418	0.7
70.05825	0.9
70.06223	0.7
70.06588	0.5
71.04983	0.6
72.08166	0.3
74.20082	0.4
81.07072	0.5
84.08132	0.9
85.02901	0.6
85.06563	0.5
86.09698	0.6
91.05475	1.1
92.93377	0.4
94.57541	0.3
95.04986	0.6
95.08614	0.4
98.97622	0.4
105.07024	0.6
107.08639	0.6
109.10161	0.4
119.08543	0.4
120.08162	0.4
121.10169	0.4
127.03952	0.4
130.48761	0.4
132.71222	0.4
133.10191	0.7
143.08556	0.5
149.05850	0.4
155.31770	0.5
192.04018	0.5
203.05342	3.0
215.89308	0.4
231.13579	0.9
237.02808	0.5
238.04483	0.4
249.07324	1.2
249.11281	0.6
252.06129	0.4
308.71628	0.4
347.13626	0.9
353.15796	0.5
356.97482	0.5
365.14740	0.8
393.13953	1.1
393.18839	0.6
411.19922	100.0
412.20313	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	411.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01873	0.4
55.05502	0.8
57.03432	0.7
67.05494	0.6
69.03436	1.0
69.07071	0.3
69.59115	1.1
71.01346	0.2
71.04986	0.3
72.08170	0.3
73.02916	0.3
79.05496	1.1
81.03419	1.2
81.07072	0.9
83.04980	0.5
83.08636	0.2
84.08149	0.7
85.02890	0.7
86.09702	0.5
91.05491	0.9
93.07050	1.0
95.04956	1.5
95.08620	0.6
97.02906	0.5
97.06525	0.4
97.10141	0.4
98.97578	0.2
103.03946	0.5
103.05486	0.3
105.07005	0.9
107.04945	1.6
107.08596	0.6
109.02842	0.3
109.06525	0.3
109.10155	0.4
111.04455	0.3
116.98665	0.2
117.06989	0.2
119.04958	0.2
119.08569	0.7
120.08105	0.3
121.06503	0.5
121.10133	0.4
123.04455	0.7
123.08083	0.3
125.09634	0.3
127.03870	0.3
128.06258	0.2
131.04912	0.2
131.08553	0.6
133.06471	0.4
133.10172	0.6
135.04312	0.2
135.11725	0.2
137.06003	0.5
143.08586	0.3
145.06601	0.2
145.10117	0.4
147.04434	0.4
147.08018	0.3
147.11670	0.4
149.06003	0.4
151.11279	0.3
157.10112	0.3
163.04010	0.3
163.11189	0.4
167.07088	0.2
173.13109	0.2
189.12651	0.2
193.12289	0.4
203.05234	1.9
205.12140	0.2
207.13641	0.2
211.13344	0.3
214.10052	0.2
223.13416	0.3
231.13614	1.1
235.13513	0.3
249.07397	0.4
249.14647	0.8
259.13315	0.3
273.14932	0.9
277.14368	0.2
285.17209	0.2
291.14456	0.2
301.14468	0.6
319.15500	0.4
375.17944	0.8
393.19138	0.5
411.19888	100.0
412.20264	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	411.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25391	0.3
55.01862	0.3
55.05514	0.5
55.16294	0.2
56.05019	0.3
56.32703	0.3
57.03423	0.8
61.02925	0.3
67.05489	0.4
69.03434	3.3
70.06586	1.3
71.48850	0.4
72.08142	0.8
73.02897	0.4
79.05466	0.3
81.03411	1.1
81.07061	0.3
84.04508	0.4
84.08138	0.7
85.02911	4.7
86.09720	0.4
91.05472	0.5
91.96429	0.3
95.04948	0.5
97.02870	1.4
99.04483	0.4
103.03952	3.4
107.04969	0.6
107.08595	0.7
109.02876	0.8
110.06023	1.2
119.08551	0.3
120.04478	0.9
120.08092	0.6
122.09663	0.8
127.03889	1.4
129.04485	7.1
133.10121	0.3
136.07579	3.7
145.04982	0.4
147.04407	1.1
147.05513	7.8
148.11197	0.5
155.25015	0.3
164.10695	1.2
173.09383	0.4
176.10715	3.2
176.14365	0.5
179.89336	0.3
185.07103	25.3
186.07465	0.9
189.06625	1.4
196.01476	0.3
203.05235	4.1
213.06584	13.9
214.06967	0.4
219.14932	15.6
231.07645	4.0
231.13504	1.5
235.90802	0.3
237.15959	1.1
241.51024	0.3
249.08774	4.3
255.66602	0.3
353.15720	7.7
355.95239	0.2
357.10715	0.4
375.11847	9.1
376.12512	0.5
393.12943	6.1
394.13278	0.4
411.19934	100.0
412.15543	0.6
412.20279	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	411.1989
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.05512	1.2
56.82635	0.5
57.03441	0.5
67.05497	1.4
69.03445	1.2
69.59127	3.4
70.06601	0.8
70.95287	0.6
71.05013	0.7
79.05475	1.2
80.27640	0.5
81.03413	1.9
81.07059	1.8
83.05035	0.8
84.08125	0.8
85.02904	1.3
85.56753	0.7
86.09703	1.1
87.04499	0.6
91.05469	1.9
93.07037	2.3
95.04959	0.7
95.08582	1.6
97.02860	0.9
98.97605	0.6
105.07034	1.9
107.08595	3.0
109.06545	1.5
109.10146	0.7
111.08117	0.7
111.51894	0.5
119.08578	2.4
121.10137	3.1
121.44562	0.5
123.04390	0.7
123.08048	0.8
129.07043	0.6
133.10139	2.6
135.11711	0.6
137.09599	0.7
147.08054	0.9
147.11731	0.7
149.09587	0.7
161.13243	4.1
175.11122	0.7
179.14326	6.2
201.12563	2.2
203.05266	27.2
203.07162	1.4
204.05629	0.8
211.13307	0.6
225.40077	0.6
232.17017	0.8
249.07364	1.0
249.14905	1.1
381.18842	48.6
382.19385	2.0
411.19916	100.0
412.20242	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	412.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01862	1.2
55.05511	4.4
56.05030	3.9
57.03427	0.5
57.07066	1.1
60.04523	2.3
65.03929	0.7
67.05504	10.9
68.05016	1.0
69.03428	4.0
69.07063	3.3
69.22491	2.9
70.06602	0.7
71.04993	2.6
71.08624	0.5
72.04533	0.3
76.80376	0.3
79.05490	12.9
80.05009	3.3
81.03413	1.9
81.05784	2.0
81.07053	11.5
81.07541	0.4
82.06577	5.0
83.04962	0.8
83.08614	2.8
84.08162	0.3
84.61024	0.3
85.06522	1.5
86.06081	0.3
86.09702	0.4
86.69701	0.2
87.04459	2.8
91.05476	5.5
93.07040	20.9
94.06564	17.1
95.04963	3.9
95.08603	20.2
96.08122	3.8
97.06523	4.5
97.10178	0.9
98.06039	0.3
98.21482	0.5
99.08089	0.3
103.05481	0.9
105.04525	0.7
105.07028	11.3
106.06533	0.6
107.07327	4.0
107.08498	0.4
108.08099	0.8
110.09679	9.8
111.08076	13.5
111.11696	0.3
119.08685	0.2
120.08114	0.8
121.10167	0.4
122.09663	34.7
122.79454	0.3
123.08064	26.4
123.09982	0.8
124.08409	0.3
128.10710	39.1
129.11050	0.4
129.42674	0.2
140.10696	100.0
141.09103	9.0
141.11031	1.1
158.11758	8.0
197.97336	0.2
219.21101	0.3
230.58424	0.3
242.43391	0.3
254.24751	1.5
272.25824	5.6
273.26050	0.3
278.28027	0.7
282.24341	0.4
348.32480	0.4
364.32043	1.0
376.32028	1.1
382.33148	3.9
394.33142	12.2
395.33453	0.5
412.34152	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	413.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	43.2
59.06108	35.7
69.03426	28.3
69.25777	78.3
69.26185	26.8
70.06581	36.6
72.08150	18.9
75.02095	9.3
81.03394	10.7
81.07087	15.5
84.08163	16.6
85.02895	37.8
85.07647	10.0
86.09700	20.1
91.05452	19.9
96.58054	10.8
98.97565	29.0
100.07621	11.0
112.64191	9.2
116.98581	15.9
120.08071	14.6
122.06021	31.3
127.03990	11.5
128.98643	9.6
136.07564	66.4
140.49141	10.1
146.99562	11.9
147.04440	19.9
147.05525	17.7
148.04721	12.6
164.07024	59.9
166.08643	20.8
180.04753	14.2
182.08113	18.4
185.07147	13.6
195.03291	22.8
213.04387	13.8
215.08134	18.7
226.05249	15.0
231.04761	30.4
233.09189	44.8
234.07809	14.4
237.02817	23.7
251.10439	96.6
269.03262	29.9
272.34686	10.8
287.04434	70.0
311.04410	100.0
329.05508	45.4
334.05920	10.4
413.08438	67.8
413.13681	29.4
413.17966	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	413.0847
Annotation	Arteminorin B
Peak:m/z	Relative Intensity
56.96568	14.8
57.03422	4.6
58.43530	5.0
61.02908	5.0
69.03431	11.4
69.60951	12.6
69.61359	13.3
73.02923	7.2
81.03436	4.9
84.78484	3.6
84.96021	4.7
85.02914	18.2
91.03972	5.5
97.02917	9.3
98.97611	32.4
110.35695	3.9
110.97559	6.4
116.98605	22.2
119.01912	10.1
127.03894	7.9
128.98624	10.0
134.99660	6.7
136.06181	8.3
146.99664	11.0
149.01253	9.2
151.03908	6.3
158.99725	9.0
161.01268	9.2
161.02939	5.1
162.04172	4.5
173.03064	4.8
177.00772	12.1
189.00748	6.8
201.00784	6.0
219.01762	13.0
237.02736	26.7
245.05099	9.0
255.03972	4.9
263.06302	5.9
263.08954	4.0
269.03201	7.5
272.02075	7.9
353.07352	14.3
371.08282	17.5
397.96088	4.8
413.08298	100.0
413.14200	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1414
Annotation	t(6)a
Peak:m/z	Relative Intensity
50.27642	0.3
52.08435	0.3
56.05041	0.8
56.80887	0.3
56.96559	0.4
57.03429	0.4
66.14363	0.3
69.03445	0.5
69.68539	0.8
69.68946	1.8
70.06602	0.8
71.91426	0.3
74.06093	2.3
75.15568	0.4
84.08126	0.4
85.02899	0.8
85.06974	0.4
86.09695	0.4
97.02861	0.4
98.21506	0.6
98.97581	1.1
99.49534	0.3
102.05546	1.3
110.06023	0.5
110.97520	0.3
116.98640	0.5
119.03558	2.2
120.06573	7.6
124.07654	0.6
128.07069	0.4
128.98630	0.5
136.06183	100.0
137.04628	1.9
142.08592	0.4
162.04108	61.6
163.04506	0.5
173.07162	0.4
177.61859	0.4
177.82924	0.4
192.87753	0.4
205.24683	0.3
219.01862	0.6
237.02843	1.6
251.10223	0.9
251.13789	0.5
266.94403	0.4
268.10416	0.9
272.01953	0.4
281.09930	47.6
282.10074	0.8
395.06497	0.4
413.08066	0.8
413.14032	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	413.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
61.02909	0.7
62.02912	0.5
65.67443	0.5
67.05485	0.6
67.96536	0.5
68.10150	0.5
68.42213	0.5
69.03429	2.8
70.06592	6.2
71.48945	1.1
72.08153	1.6
72.35333	0.5
73.02899	0.6
79.05480	0.6
81.03403	0.9
84.04510	1.0
84.08136	5.6
85.02894	3.5
86.06057	0.7
86.09691	1.5
89.07140	2.5
91.05467	0.7
97.02882	2.3
98.97577	1.3
105.06989	1.1
107.04948	0.5
110.02394	0.7
110.07174	0.9
116.98605	0.7
120.08113	1.1
122.06035	0.9
127.03925	1.2
129.10234	4.2
136.06113	0.7
136.07568	2.0
147.04440	1.3
147.05504	7.3
150.05518	0.7
152.07097	0.8
161.05945	0.8
163.03804	0.6
164.07042	1.2
192.05928	0.9
203.05295	0.8
210.06972	1.7
215.08075	0.6
218.08099	1.3
219.06291	2.0
219.14940	0.9
220.07870	1.0
220.15294	0.9
221.15558	1.6
233.09303	3.5
251.10341	11.5
283.21008	0.5
340.54187	0.9
413.14209	100.0
414.14716	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2149
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
52.29085	0.4
55.01874	0.4
55.05511	4.6
56.96554	1.0
57.03428	0.6
57.07074	0.5
67.05508	0.9
67.71008	0.3
69.03422	0.8
69.07069	1.3
70.06586	1.3
70.15195	0.9
70.15610	0.7
71.04991	1.2
74.00776	0.3
79.05491	0.8
81.03420	0.9
81.07046	2.0
82.06580	1.6
83.04990	1.4
83.08623	2.4
84.08128	0.6
85.02894	1.4
85.06525	0.6
91.05482	1.3
91.58127	0.6
91.96382	0.3
93.07040	1.1
95.04971	1.0
95.08615	1.0
97.02898	0.7
97.06524	1.7
98.09715	0.6
98.20705	0.4
98.97617	0.4
100.07620	1.1
100.11255	10.8
101.06049	0.4
101.11594	0.4
103.05533	0.4
105.00146	0.3
105.07026	1.2
107.04962	0.8
107.08603	0.9
107.19955	0.3
109.10164	1.1
110.06045	0.9
111.04449	2.0
112.07582	0.6
115.05544	0.3
117.13889	0.4
119.08585	1.0
121.06485	0.4
121.10140	0.5
123.08053	0.4
125.05956	0.3
125.09605	0.4
126.09148	0.5
127.03986	0.4
128.07092	1.7
129.05446	0.3
131.04930	0.3
131.08571	0.7
132.75562	0.3
133.10098	0.6
135.08061	0.4
135.11653	0.6
137.05994	2.8
137.09604	0.5
140.07039	0.8
141.11493	1.6
143.08566	0.4
145.06421	0.3
145.10120	0.6
147.11705	0.6
149.02350	1.4
149.09627	0.3
149.13301	0.3
150.70380	0.3
151.03870	0.6
151.07541	0.5
155.11227	0.7
156.75562	0.3
157.10121	0.4
159.07903	0.5
161.09720	0.3
161.13240	0.3
163.11180	0.4
167.07008	0.8
167.08440	0.4
175.07503	0.7
177.05443	0.5
182.15401	6.9
183.15767	0.7
189.12773	0.4
193.05035	0.3
199.18097	1.1
201.09114	0.3
203.05333	1.6
203.06970	0.6
204.66463	0.5
209.16504	1.8
210.14905	8.5
211.15222	0.5
213.17941	0.3
215.14308	0.4
218.66257	1.2
226.19144	0.4
227.17632	1.5
228.15950	1.4
233.15356	0.8
237.02826	0.3
245.18665	1.0
249.11053	0.4
251.12654	4.4
251.16325	1.0
268.21460	4.1
268.71689	0.9
269.10550	0.3
276.72672	0.6
282.19635	0.4
291.19901	0.3
309.21683	0.4
326.28030	1.5
331.74661	3.7
332.24954	1.5
337.21194	0.8
340.75052	1.8
341.25537	0.4
351.25168	0.5
355.22147	0.4
380.77792	0.3
395.20462	1.7
395.27866	0.6
413.21475	100.0
414.16519	0.5
414.21628	2.3
435.33374	0.7
436.31949	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	413.3047
Annotation	Delta4-diketol
Peak:m/z	Relative Intensity
53.03936	0.9
55.01861	1.3
55.05510	6.2
56.96558	3.9
57.03419	2.0
57.07062	1.8
67.05501	8.1
69.03416	4.2
69.07066	5.8
71.04972	1.7
71.50044	1.6
73.02921	1.7
77.72221	1.0
79.05492	8.9
81.03395	2.3
81.07051	11.4
83.04969	2.3
83.08607	3.5
83.09113	0.8
85.02884	2.1
91.05485	10.0
93.00008	1.0
93.07034	11.6
95.04971	3.9
95.08604	14.8
97.02897	1.9
97.06530	2.8
97.10177	1.9
105.07021	12.2
107.07891	1.8
107.08589	22.9
109.06507	3.8
109.10157	9.9
111.08080	15.9
117.07004	3.4
119.08570	17.3
121.06504	1.2
121.10152	17.7
123.08067	3.5
123.11690	7.9
124.11981	0.9
129.06993	3.2
131.08560	12.1
133.10133	10.2
135.08069	2.3
135.11685	3.7
137.09595	5.9
137.13199	1.1
139.11148	1.1
141.06995	1.4
142.07799	1.4
143.08566	10.8
145.10129	14.6
147.08028	2.4
147.11668	6.0
149.09641	3.4
149.13263	2.6
151.07428	1.0
151.11230	1.7
155.08546	3.5
156.09319	2.7
157.10115	16.3
159.08020	1.0
159.11684	9.6
161.09587	2.0
161.13251	14.0
163.11214	2.3
163.14752	1.0
165.12808	2.3
167.08603	1.5
168.09291	1.2
169.10141	7.6
171.11673	12.9
173.09660	1.1
173.13260	8.5
175.11168	1.5
175.14850	2.0
177.12772	3.0
179.08536	2.0
179.14307	7.7
181.10155	3.3
182.10883	2.0
182.81065	1.0
183.11699	12.5
184.12173	0.9
185.09674	1.2
185.13275	8.4
187.14851	4.4
189.12729	4.0
191.14352	1.2
193.10092	1.4
193.12154	1.0
194.10959	2.0
195.11696	4.0
197.13264	9.5
198.13667	1.2
199.14854	5.1
203.14348	1.7
207.11606	1.1
209.13289	14.0
211.14888	6.7
213.16350	2.7
215.14337	1.9
217.15833	1.2
223.14835	3.6
225.16367	4.1
227.17941	2.2
229.07501	1.5
231.17513	1.5
235.14864	1.2
237.16370	4.0
239.17972	2.7
241.15916	2.5
241.19557	1.3
244.92389	1.0
247.08583	2.3
249.16365	1.3
251.17946	6.9
253.19498	3.0
255.17450	9.5
257.19006	1.2
261.16409	1.2
265.19492	1.5
267.18173	1.5
267.21017	8.1
269.19095	2.1
273.18457	0.9
281.19107	2.7
285.10056	2.9
285.22110	2.4
289.19586	1.5
293.19098	1.0
307.20441	3.0
321.22037	1.6
329.24841	1.2
331.24161	2.2
335.23557	1.3
347.15320	1.9
349.25290	11.6
359.27377	3.8
365.16116	1.1
372.24310	2.5
377.28403	32.3
378.28687	1.7
395.29449	11.6
413.30515	100.0
414.25949	1.4
414.30771	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	414.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
57.21490	0.6
61.02914	0.6
67.05504	1.0
68.72784	0.6
69.03419	2.4
69.70388	2.1
69.70802	1.5
70.06578	2.0
72.08158	0.7
79.05482	0.9
81.03408	1.3
84.08145	10.1
85.02925	3.6
86.06068	4.1
86.09704	0.8
91.05478	1.3
93.39334	0.6
94.91947	0.6
95.04966	1.4
96.15139	0.5
97.02888	2.0
97.06517	0.7
99.00811	1.1
108.08084	0.6
109.02782	0.6
110.06033	0.8
112.07594	2.5
116.07046	0.6
120.08150	0.7
121.06477	0.7
123.04409	0.9
136.07581	62.8
137.07947	0.9
138.09135	1.1
146.09608	3.5
148.07527	1.3
151.03915	1.4
152.05722	0.8
153.01787	0.9
162.05522	1.0
164.07072	72.5
164.10736	2.7
165.05504	0.9
165.07355	1.1
165.35793	0.5
166.08646	3.6
180.06595	3.3
182.08133	51.1
183.08589	0.6
188.10629	2.9
200.27858	0.7
206.11754	4.8
216.10193	1.7
225.31461	0.6
234.11255	19.4
252.12320	100.0
253.12651	2.6
372.13644	0.6
394.15860	0.6
396.16507	11.2
397.09030	0.6
397.16837	0.8
414.13293	1.6
414.17908	6.4
414.31427	0.6
415.19391	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	414.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28285	3.6
53.51875	3.9
54.22552	4.7
55.01871	8.0
56.96552	8.2
57.03432	36.3
59.46882	4.3
61.02918	12.4
64.10663	4.2
66.72866	4.0
67.05499	5.0
69.03429	42.7
70.06573	11.0
71.01348	4.6
71.48844	5.7
71.65289	3.8
73.02920	78.8
79.05464	3.8
81.03397	6.1
83.04992	7.6
85.02901	100.0
85.06541	27.3
87.04448	8.3
91.03956	12.1
97.02897	61.5
98.97565	15.6
99.04449	7.1
109.02893	7.6
109.06468	4.7
115.03928	46.5
116.98634	13.1
127.03918	33.3
130.34372	4.2
133.04961	9.8
134.99629	9.9
135.08014	4.3
136.06190	5.4
137.05963	8.1
145.04947	51.3
146.99664	8.4
147.04393	7.0
161.02960	5.2
163.05998	16.5
177.05394	5.2
217.10670	5.9
219.01843	8.1
229.10753	22.3
237.02835	16.9
241.07109	5.2
295.10190	9.2
355.06906	5.4
366.03809	4.5
414.14362	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	414.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
56.83035	1.7
65.70474	1.6
67.05484	3.3
69.03421	7.2
69.07070	4.0
70.06581	7.2
71.48835	2.9
79.05476	5.9
81.07052	8.3
83.04987	2.0
84.08156	2.9
85.02905	6.5
91.05467	3.6
93.07063	3.6
95.04945	3.0
95.08608	4.8
96.08094	3.4
97.02870	2.5
100.84806	1.7
105.07008	9.2
107.04963	4.0
107.08591	17.9
108.08113	5.3
109.06531	6.3
109.10168	6.7
119.08584	8.5
121.06516	2.3
121.10142	12.5
122.07301	3.8
122.09663	3.3
123.08085	3.8
131.08543	3.6
133.10127	100.0
133.96309	1.8
134.09589	2.5
134.10492	4.0
135.08060	9.8
136.11212	3.7
137.09621	70.5
145.10091	2.8
147.11691	5.0
149.09566	2.9
149.13272	10.7
156.09409	2.3
160.11201	3.3
163.14771	3.4
164.14375	5.5
165.12741	2.6
170.00470	2.0
173.13242	6.4
175.14896	2.3
191.14308	65.7
209.15364	16.7
214.37035	1.9
216.17517	14.5
217.15889	2.2
232.16956	2.4
234.18520	63.6
252.19537	6.7
370.22037	2.4
396.23813	5.8
414.24734	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	414.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01857	1.9
55.05496	4.5
56.96565	2.3
57.03433	2.8
59.05001	2.1
61.02913	3.9
67.05502	5.6
69.03432	16.0
69.07063	6.2
70.06600	5.2
71.04980	3.1
71.49614	3.3
73.02938	2.0
75.72977	2.3
79.05485	6.7
81.03415	5.9
81.07040	7.8
83.04975	8.3
84.08163	2.8
85.02908	24.6
85.06524	2.2
86.09709	3.5
87.04450	2.1
87.98547	2.0
91.05485	7.0
91.79920	1.9
93.07056	8.9
95.04953	5.1
95.08592	11.4
97.02888	6.9
97.06529	7.4
98.09682	2.0
99.08109	6.1
103.19908	1.7
104.87933	1.9
105.07022	7.7
107.04958	5.4
107.08599	18.6
108.08117	3.3
109.02868	2.5
109.06537	5.9
109.10171	12.4
112.86710	1.8
113.09624	2.0
116.98637	3.9
119.08537	9.7
121.06520	2.4
121.10128	15.9
122.07245	2.7
122.09647	2.7
123.08096	3.4
125.09614	5.9
127.03886	5.5
129.06987	2.3
131.08551	3.2
133.10117	11.4
135.08044	6.7
135.11690	5.9
136.11160	2.0
137.05972	2.2
137.09607	19.3
139.04033	1.9
145.04970	5.0
145.06497	2.4
145.10136	4.0
147.11664	9.5
148.11194	3.2
149.09662	12.6
149.13255	10.5
151.11179	35.4
157.10071	3.9
159.11717	6.7
161.11992	4.2
163.14822	8.0
165.12796	6.6
167.07031	6.2
173.13239	9.3
175.14822	5.6
176.14293	12.9
177.12796	3.3
181.04967	9.8
190.15903	3.0
190.81387	1.8
191.14310	36.7
193.12279	2.3
193.15894	2.2
195.06546	5.3
199.14877	2.2
209.15356	51.6
217.15858	7.4
218.19092	6.4
234.18474	16.7
235.16882	18.3
252.17078	1.5
252.19583	32.2
352.32452	1.7
396.19342	2.4
410.30682	2.6
414.25644	28.9
415.18689	5.6
415.23032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22114	3.7
56.96570	4.4
57.03437	4.1
58.64795	3.8
67.05515	9.1
69.03424	15.3
69.07057	14.7
70.06607	5.1
70.96276	7.2
71.05017	5.0
71.91655	3.5
72.08162	3.5
79.05486	9.2
79.56527	3.6
81.03391	8.1
81.07051	15.1
83.04977	9.4
84.08162	6.1
85.02898	32.7
85.97403	4.1
86.09711	7.9
91.05491	11.6
92.11860	3.5
93.07034	11.2
95.04961	10.2
95.08601	16.5
97.02888	13.4
97.06490	11.4
99.08090	6.2
105.07026	13.2
106.89294	3.7
107.04969	6.3
107.08611	26.4
108.08113	5.3
109.06546	3.8
109.10165	17.2
115.03976	3.5
119.08553	12.8
120.08152	6.0
121.06490	6.3
121.10152	20.7
123.08032	6.4
125.09655	6.6
127.03880	6.4
131.08559	7.3
133.10092	18.9
135.08098	5.9
135.11670	8.5
137.09625	20.2
145.04955	4.0
147.05493	4.4
147.11664	8.7
149.09621	17.4
149.13234	9.6
150.63464	4.2
151.11198	41.7
157.10184	7.1
159.11705	9.3
161.11998	5.6
163.14853	4.1
163.62148	3.5
164.14079	3.8
165.05521	5.7
165.12770	5.3
167.07132	7.5
173.13312	12.0
175.14862	8.9
176.14322	17.6
177.12715	5.7
179.10715	3.7
181.04932	9.4
189.12721	4.2
191.14307	40.3
192.13832	4.1
195.06461	5.1
209.15384	59.0
217.15891	6.1
218.19099	8.5
234.18550	14.6
235.16876	14.8
252.19579	35.9
300.71375	4.4
321.33197	4.2
346.09763	4.0
354.44620	4.7
384.20844	5.3
384.42538	4.5
388.17993	3.8
396.23975	5.6
414.25635	28.0
415.14417	6.5
415.23053	100.0
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
56.96561	4.1
59.88496	3.1
67.46077	2.6
69.81580	4.9
69.81979	11.9
98.97572	8.1
116.98569	4.0
161.56087	2.8
219.01738	4.4
237.02876	4.1
355.03439	3.4
357.62161	2.8
373.04456	3.7
415.09976	100.0
415.15436	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	415.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99321	3.8
53.46195	4.1
56.96560	17.2
67.05502	5.9
69.03426	15.4
69.40482	33.2
70.06584	12.6
73.02919	4.1
81.03432	6.2
84.08124	8.4
84.96015	4.4
85.02903	33.2
85.07658	11.5
86.09711	9.7
86.61502	3.7
92.99334	4.3
97.02878	12.5
98.97584	34.3
99.04409	5.2
107.04995	5.9
110.97601	3.9
114.51845	4.4
116.98634	35.0
127.03936	11.1
128.98582	11.7
130.06534	4.8
132.10242	5.1
134.99637	21.5
136.06131	5.1
137.85834	4.2
143.01891	4.9
146.06047	6.8
146.99648	12.0
147.04390	4.6
149.01250	5.7
152.05698	37.1
152.06827	6.0
153.03947	5.3
158.99684	11.1
161.01239	6.2
170.99673	4.4
175.08772	5.0
177.00716	19.7
189.00629	7.5
203.07893	5.2
215.07700	4.4
219.01785	15.3
221.04898	4.1
225.04118	4.4
227.06712	9.6
228.05844	4.1
229.00232	8.3
233.43523	4.7
237.02766	29.2
253.03865	7.2
253.08203	10.3
264.51242	4.8
277.03915	5.2
295.04797	9.5
309.08615	5.3
346.02139	4.9
355.06931	5.6
373.04321	7.7
373.08423	6.7
397.11032	5.3
415.09848	100.0
415.16150	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	415.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.6
56.96556	0.6
57.03427	0.8
65.17454	0.4
67.05512	0.5
69.03429	0.9
69.60960	1.9
69.61371	0.9
70.06593	10.2
72.08149	2.4
74.06074	1.3
76.60033	0.4
79.05505	1.0
81.01598	0.4
81.03423	0.4
84.04502	1.3
84.08150	3.2
85.02905	1.7
86.09708	3.5
89.07140	0.6
91.05493	1.2
93.07040	0.6
94.48501	0.5
95.04971	0.8
97.02882	0.8
98.97625	1.2
99.90862	0.4
105.07063	0.5
107.04967	0.8
109.06528	0.7
114.10286	1.0
116.07118	0.9
120.08099	0.6
121.06523	0.5
127.03940	0.9
129.10248	0.9
132.17444	0.4
135.04395	0.6
135.08064	0.5
136.07593	0.7
137.05977	0.6
141.05444	0.7
147.04431	1.1
151.03896	0.7
162.09230	0.5
163.03929	0.6
164.07065	0.5
165.05540	1.1
169.13379	1.4
173.12888	0.5
180.18742	0.4
197.12866	1.2
203.05273	13.1
203.07167	0.7
218.08199	0.4
221.08154	0.5
235.09425	20.6
236.09633	0.8
237.02817	0.6
253.10486	0.6
293.84009	0.5
395.39316	0.4
415.15732	100.0
416.15958	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	415.234
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.05509	1.4
56.05049	2.2
56.96563	1.1
58.06598	100.0
59.06945	0.5
67.05492	2.6
67.65691	0.5
69.03436	1.2
69.07068	3.3
70.06593	0.5
71.49700	0.6
71.50058	0.6
76.83968	0.5
79.05499	2.2
81.03429	0.6
81.07050	3.8
83.04980	1.2
83.08624	1.0
84.08133	0.5
84.84914	0.5
85.02902	0.8
86.06068	0.5
86.09703	7.3
86.10186	0.5
89.89175	0.5
91.05471	10.8
93.07056	2.5
95.04965	0.8
95.08617	3.0
97.06490	2.4
98.09708	0.8
98.97607	0.7
105.07030	2.8
107.04980	0.6
107.08594	2.8
109.10172	1.9
111.08175	0.5
113.07160	1.3
114.09186	1.4
115.05428	0.9
115.08702	2.3
116.98589	0.6
117.05781	0.9
117.07047	0.9
119.08606	2.1
121.10162	1.8
123.11760	1.1
125.06031	0.5
125.07116	0.6
125.09671	0.9
128.06258	0.5
129.07007	1.2
130.06531	1.2
131.07433	0.6
131.08554	1.2
132.07146	0.6
132.08090	18.3
133.10165	2.0
135.08130	0.6
135.11688	1.0
137.05998	1.2
137.09636	0.7
137.13232	0.5
139.03931	0.7
142.08745	0.6
143.08507	0.8
144.08096	1.2
145.10106	0.8
146.09647	3.3
147.08034	0.7
147.11755	0.7
150.36176	0.5
151.07588	0.7
155.08495	0.6
157.07649	0.5
157.10141	0.8
159.11761	0.9
160.07640	1.3
161.13344	1.8
164.26955	0.5
165.05508	1.0
167.07161	0.8
169.13380	0.9
171.09242	1.7
171.11711	0.8
171.14914	13.5
171.16356	0.7
173.13303	0.5
177.00740	0.6
181.13441	0.9
183.05128	0.5
185.13350	0.6
188.07167	2.0
188.11882	1.1
189.10233	10.1
198.10326	0.6
199.14413	7.7
199.16058	0.5
200.11914	1.4
210.16147	1.8
217.09723	7.6
217.11703	0.7
238.15504	5.8
239.15544	1.3
244.31773	0.5
245.16545	0.6
256.18076	13.6
257.18625	0.7
273.16165	0.6
284.17725	1.2
301.15530	0.8
302.15033	8.0
302.18512	0.8
312.17050	25.3
313.17624	1.2
327.17004	1.1
330.18146	5.7
331.18335	0.5
358.21176	8.0
415.23474	12.1
415.32520	1.1
416.24161	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	415.303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16016	0.5
57.07067	1.0
64.14233	0.5
64.96697	0.6
67.05491	0.8
69.07078	0.6
71.08609	0.7
71.39600	0.6
81.07064	0.7
91.05460	1.1
93.07063	0.6
95.08585	1.4
95.71032	0.6
105.07029	0.8
107.08578	0.9
108.95015	0.5
109.10123	0.9
119.08594	2.7
131.08606	0.6
133.10098	0.6
135.11665	0.9
143.08493	0.6
147.86255	0.5
150.26071	0.6
151.09991	0.5
175.14899	0.6
415.30289	100.0
416.30609	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	416.1371
Annotation	Xylostosidine
Peak:m/z	Relative Intensity
53.03951	0.5
54.25928	0.4
55.01889	0.8
57.03430	0.5
61.01145	4.5
61.02935	0.5
67.05521	0.5
69.03429	3.2
70.06576	1.2
70.65040	1.3
71.04990	0.7
72.08147	0.9
77.01952	0.4
79.05507	1.2
80.22972	0.4
81.03419	1.0
81.07054	0.7
83.04980	0.5
84.08135	0.4
85.02903	3.3
86.09706	1.5
87.02679	0.5
88.02214	66.8
91.05500	1.3
93.07050	1.1
95.04980	0.5
96.04502	2.1
97.02887	10.7
97.06543	1.2
98.08028	0.4
103.05470	0.4
105.07040	1.2
106.06559	1.2
106.21622	0.4
107.04963	0.8
116.01723	0.4
121.06473	0.8
122.06009	0.7
123.04456	0.9
124.03951	48.8
126.05534	4.6
127.03954	0.7
133.06425	0.6
135.04440	0.5
140.03421	1.7
145.06421	0.4
148.07607	1.2
149.05994	2.9
151.03908	1.1
152.07089	0.9
156.04758	0.9
158.05963	0.7
159.04385	0.5
166.06847	1.5
167.07043	0.8
171.81200	0.4
176.07079	2.1
177.05467	0.5
181.05031	0.6
184.04272	91.0
185.04788	0.4
186.05818	6.4
194.08170	0.5
208.07892	0.6
209.15450	1.4
220.09709	0.7
226.08989	0.5
236.07402	3.6
254.08447	100.0
255.08687	1.5
262.74945	0.4
392.11111	0.4
416.13779	4.9
416.19339	1.4
416.38388	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	416.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31974	2.2
53.03938	5.7
55.01871	4.2
55.05499	3.2
55.97335	2.7
56.05028	7.3
57.03439	5.1
58.06601	14.3
58.68046	2.8
60.04516	3.0
61.02913	10.3
62.06081	5.1
62.93629	2.4
65.03922	2.6
67.05495	6.6
68.05025	10.1
69.03430	37.3
69.55094	10.9
69.55502	5.3
70.06602	16.9
71.01350	5.0
71.04986	4.1
72.04526	3.4
72.08147	6.7
73.02917	7.2
74.06086	6.4
79.05489	22.3
81.03416	23.5
81.07047	10.2
82.06577	4.0
83.04964	3.8
84.04510	6.9
84.08144	6.2
85.02897	42.0
86.06056	8.9
86.09705	18.7
87.04491	2.8
88.03974	3.1
91.05488	26.7
93.07036	5.1
94.06566	21.1
95.01323	5.7
95.04980	20.1
96.04498	7.8
97.02893	32.1
98.06062	9.4
99.04451	6.3
103.05463	13.1
105.07007	9.3
106.06544	5.2
107.04960	32.4
107.08598	3.1
109.02869	14.4
109.06536	6.3
110.06048	10.3
110.07162	3.6
111.04459	5.8
112.03954	6.5
112.07597	16.5
113.02335	5.8
114.05520	10.0
115.03900	3.1
117.05674	3.0
117.07039	5.0
118.06555	6.0
119.04936	8.5
119.08562	4.4
120.04444	3.4
120.08129	9.3
121.06483	12.5
122.06039	19.2
123.04424	12.5
124.03932	19.7
124.07587	3.1
124.33578	2.8
125.02356	37.0
126.05514	5.4
127.03858	12.0
128.23990	2.3
130.06592	2.7
131.04932	14.0
133.06465	3.3
134.06033	2.4
134.09605	3.3
135.04387	6.1
136.07576	4.0
137.05984	2.9
138.05510	3.8
140.03447	2.5
140.06982	3.6
142.04991	3.1
144.08069	5.7
145.04987	3.2
145.06532	5.5
146.06058	8.0
146.09662	5.0
147.04402	34.8
148.07529	17.1
149.02435	5.0
149.05910	14.6
150.05545	5.4
150.09166	6.1
151.03903	37.9
153.05450	21.5
159.04445	7.1
162.09122	6.8
163.03918	2.4
163.07515	4.3
164.07085	9.5
165.05458	28.0
166.04993	6.1
166.08615	12.0
167.05788	4.9
167.07060	4.5
168.06512	4.3
172.07625	7.1
173.05919	4.1
174.05544	5.0
174.09154	3.8
175.03894	13.9
175.07628	2.9
176.07091	9.5
177.05473	20.9
179.03424	12.1
180.10054	3.0
181.04935	2.8
186.07613	11.4
190.08598	14.0
191.07072	3.5
192.06548	16.7
192.10214	10.7
193.04965	50.2
193.08662	3.1
194.05373	2.8
194.08080	7.1
195.06561	12.1
200.07117	3.4
204.06856	1.7
204.08665	42.3
208.09753	8.4
210.07637	9.4
210.11240	10.0
211.06017	3.1
218.08095	20.5
219.06548	4.2
229.07367	3.2
236.09166	97.0
238.10741	4.1
254.10222	100.0
283.80630	2.4
338.25641	2.7
416.15585	90.4
416.23978	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	416.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87568	1.5
52.28925	1.6
55.05520	2.1
67.05496	6.5
69.07072	10.5
71.49903	2.3
79.05489	11.4
81.07049	4.9
85.54868	1.8
91.05493	2.8
92.20265	1.8
95.08627	2.1
97.06528	100.0
99.04409	1.8
107.08632	1.6
107.51208	1.6
109.06513	2.4
119.08557	3.2
121.10139	3.4
123.04435	2.8
141.07051	2.2
141.41144	1.8
152.99649	1.9
159.08136	2.1
160.83675	2.0
166.07829	2.0
171.07990	3.2
173.05977	2.8
175.07486	2.5
178.52611	1.6
181.06491	3.2
185.09630	3.8
187.07602	3.9
189.09074	5.0
195.08052	2.7
199.07515	6.1
201.09093	5.6
203.10785	2.0
209.09644	2.6
209.13297	1.8
213.09050	3.6
215.07124	2.1
215.10686	7.6
217.08586	3.2
219.10254	2.8
223.11105	1.9
225.09093	2.0
227.10616	4.1
229.12355	2.0
237.12735	4.1
241.12222	10.5
243.13838	2.9
247.13289	4.9
255.13844	2.7
257.11649	2.6
257.15399	4.5
259.13196	3.3
267.13806	4.6
271.13251	7.1
285.14874	3.9
297.14795	5.4
301.14255	3.5
307.16934	4.5
311.16397	3.2
315.15936	13.6
315.19305	2.1
319.16852	3.3
325.17871	2.4
337.17953	9.6
353.21158	15.4
354.36142	3.1
355.18942	4.6
363.19522	4.3
381.20709	13.8
399.21530	2.1
412.53638	2.1
416.32336	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	416.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01874	7.2
55.05512	17.2
56.96561	7.2
57.03428	16.1
59.04992	4.5
65.03950	3.2
67.05508	27.3
69.03434	6.4
69.07070	16.4
70.06600	3.3
71.04976	7.7
71.49648	3.0
71.50027	4.1
76.86962	2.8
79.05495	41.2
81.03407	13.0
81.07057	35.6
83.01329	8.1
83.04980	20.7
83.08626	15.2
85.02879	11.1
85.06501	5.6
86.09708	3.6
91.05482	17.9
93.07037	31.9
95.04948	11.9
95.08614	19.6
97.02871	2.9
97.06526	30.8
97.10161	11.3
98.97524	3.0
99.04436	4.9
99.08106	4.0
103.05391	4.3
105.07029	14.6
107.04959	16.4
107.08604	15.9
109.06506	10.3
109.10135	9.6
111.04450	19.8
111.08047	7.1
115.05420	3.2
117.07009	12.9
118.23330	2.9
119.08609	15.7
121.06483	7.7
121.10166	13.7
123.04417	9.3
123.08065	11.3
123.11708	3.3
124.05227	3.4
125.05983	3.0
125.09635	7.9
129.06950	4.2
131.04936	3.5
133.06451	3.2
133.10135	7.9
135.04437	7.2
135.08054	7.7
135.11693	15.9
137.05951	3.4
137.09627	5.2
145.06427	9.8
145.10104	15.1
149.09653	4.3
149.87633	2.7
151.07523	5.5
153.12740	12.5
157.06583	3.2
157.10048	5.2
159.08037	8.3
159.11749	3.5
161.05998	3.2
163.03880	15.8
163.07561	7.4
163.11218	26.9
165.05482	6.3
167.07030	98.5
171.11577	2.7
173.06030	13.8
173.09541	8.1
175.07285	2.9
181.04939	33.8
181.12190	13.0
189.11261	4.9
190.25737	3.1
191.06999	5.5
191.10634	14.3
209.11664	21.6
227.12761	24.3
233.07991	8.7
235.09732	5.1
241.08670	16.1
243.17154	3.4
259.09659	6.2
261.18463	3.5
271.16867	4.9
283.15405	100.0
289.17999	17.9
307.19061	10.1
311.09119	9.7
357.09644	6.7
363.21545	7.9
381.22757	50.3
387.14368	16.3
416.32755	6.4
417.10910	6.0
417.16168	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	417.1178
Annotation	Aleuritin
Peak:m/z	Relative Intensity
51.02390	0.8
53.03933	1.4
55.01860	2.0
55.05499	1.2
57.83589	0.5
65.03944	2.8
67.05495	3.1
69.03422	1.2
69.07075	1.0
69.27657	4.2
69.28066	1.3
72.08141	1.6
78.04698	2.5
79.05486	4.8
81.03422	1.3
81.07047	2.7
82.04186	0.7
83.04966	1.0
83.08611	0.9
84.08116	0.9
85.02899	2.2
85.06476	0.6
86.09691	2.0
89.24757	0.6
91.05479	6.2
93.03381	1.3
93.07020	2.3
95.04964	20.1
95.05582	1.0
95.08587	2.0
97.02949	0.8
97.06519	1.0
98.20786	1.0
102.04626	0.7
103.05470	5.4
104.06271	1.0
105.03384	1.7
105.07031	10.6
106.04167	2.0
107.04961	7.5
107.08581	1.3
108.01387	1.2
108.02092	15.5
109.06506	1.1
109.10117	1.3
110.03652	0.6
111.04388	0.6
115.05421	4.6
117.03327	1.0
117.07053	3.8
118.04149	2.5
119.04953	1.7
119.08568	1.5
121.06505	3.0
121.10088	1.5
123.04427	11.9
123.08009	0.7
124.05193	2.8
125.05963	1.2
130.04134	1.4
131.04913	7.9
132.05687	5.4
133.02853	2.2
133.06490	9.2
133.10112	0.7
134.03590	1.0
135.04407	2.2
135.07913	0.6
137.05949	1.7
137.09543	0.6
138.03130	0.8
139.03928	0.7
140.04697	0.7
145.06467	6.3
146.03604	1.4
147.04419	1.3
147.08012	0.7
148.05177	1.2
149.02309	1.4
149.05959	3.7
151.03897	22.3
151.07472	0.9
152.04666	2.3
155.06009	1.5
159.04489	0.8
160.05170	2.7
161.02344	0.8
161.05969	23.1
162.03137	2.8
163.03900	4.4
163.07532	1.4
164.04645	0.9
165.05492	3.2
165.06844	0.8
167.07034	73.5
168.07306	0.8
171.06569	1.5
171.11746	0.6
173.05978	11.7
175.03868	1.2
175.07561	0.7
176.04646	2.2
177.05502	4.5
178.06253	2.4
179.03386	100.0
179.06909	2.6
180.03828	0.6
180.07796	3.3
181.04951	28.5
181.08492	1.7
183.06528	0.8
188.07094	0.7
190.02547	1.7
191.03432	1.6
191.07024	16.5
192.04218	1.6
192.07811	20.1
193.04968	5.8
193.06454	0.6
193.06790	0.9
193.08594	13.3
195.06534	2.5
201.05412	0.6
205.04948	1.7
205.08572	2.3
207.02882	64.7
207.06462	2.3
208.03467	1.3
209.04407	2.5
209.08014	1.2
210.08780	1.0
211.09653	2.3
225.07553	0.8
233.08063	5.4
235.09683	2.5
237.05508	0.7
237.18527	1.1
245.04410	0.9
263.05408	2.9
355.07458	0.7
367.07986	2.7
371.10931	0.8
385.12790	0.8
387.10486	3.0
387.14783	8.6
399.10666	23.5
417.11676	21.5
417.15714	11.6
417.24365	1.4
417.31934	2.1
419.97592	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	417.1181
Annotation	Aleuritin
Peak:m/z	Relative Intensity
53.03968	1.0
55.01898	1.5
55.05524	0.6
65.03954	1.3
67.05531	2.2
69.03470	0.7
69.07099	1.5
70.84740	0.6
70.85098	1.5
77.38972	0.5
78.04746	1.3
78.60735	0.5
79.05482	2.9
80.02675	0.6
81.03439	0.7
81.07039	2.5
82.34557	0.5
85.02929	0.8
89.03960	0.6
90.55678	0.5
91.05473	4.0
93.07041	1.0
95.01324	0.8
95.04971	20.9
95.08636	1.1
96.56171	0.5
97.06559	2.1
103.05470	5.3
104.06340	0.6
105.03419	1.3
105.07028	9.6
106.04201	1.3
107.04961	4.2
107.08608	1.0
108.02094	17.0
109.06570	1.1
109.10172	1.0
111.04482	0.7
111.08097	0.6
115.05482	2.2
117.07037	1.2
118.03337	0.5
118.04185	2.1
119.04931	2.7
119.08608	1.4
121.06519	2.5
121.10139	0.9
123.04429	8.4
124.05248	0.7
125.06068	0.7
130.04160	0.8
131.04924	5.6
132.05722	3.9
133.02885	2.0
133.06502	9.8
133.10126	0.7
134.03645	0.8
134.46257	0.5
135.04425	1.9
135.11639	0.6
136.01604	0.8
137.05968	1.5
140.04662	1.1
145.06462	1.6
145.10176	0.6
146.03653	1.7
147.04430	2.1
147.11731	1.0
148.05185	1.4
149.02380	0.8
149.06036	3.4
151.03906	26.8
151.07495	0.9
151.11194	0.5
152.04550	0.6
159.04405	0.6
160.05165	2.2
161.02402	1.0
161.05994	21.3
161.13283	0.6
162.03116	2.5
163.03885	4.2
163.07516	1.2
164.01018	0.7
164.04671	0.9
165.05431	1.9
167.07040	27.1
171.06494	0.6
173.05954	2.3
175.03912	1.1
175.07596	0.5
176.04651	1.2
177.05466	5.4
178.06209	2.1
179.03391	100.0
180.03705	0.6
180.07857	2.7
181.04964	7.4
181.08551	2.0
184.08931	0.6
190.02606	1.4
191.03458	1.5
191.07031	10.0
192.04158	1.1
192.07808	19.8
193.04977	4.3
193.06816	1.0
193.08588	13.9
195.06560	0.6
200.08386	0.8
205.04939	1.5
207.02888	64.5
207.06303	2.2
208.03305	0.7
209.04485	2.6
209.08055	1.6
210.08852	1.0
211.09698	2.6
215.10654	0.6
225.07555	1.0
233.04539	0.7
233.08025	1.2
235.09660	0.9
263.05551	2.6
267.09244	0.5
311.09213	0.8
353.98566	0.6
367.08279	2.6
387.10373	4.9
387.14410	1.4
399.10721	21.3
417.11340	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	417.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
56.96560	1.6
59.89559	0.7
60.04125	0.7
60.04517	0.9
61.02907	0.9
69.03413	2.8
69.45693	5.5
70.06591	7.5
72.08151	1.4
84.08138	1.8
85.02898	4.5
86.09706	1.4
97.02888	2.0
98.21530	1.1
98.97589	2.6
100.07582	1.0
109.02883	0.9
110.06046	0.8
116.17146	0.7
116.98597	2.6
124.03955	1.0
127.03938	0.9
128.98672	0.9
134.99600	1.0
146.99748	1.1
147.05515	1.1
158.99683	1.0
161.02946	1.0
163.12234	0.9
167.07047	1.4
175.11952	1.0
177.00696	1.4
181.13412	1.3
203.05379	1.4
218.08839	0.8
219.01755	1.8
234.99002	1.1
237.02760	3.8
237.07274	4.2
240.71945	1.2
255.08379	2.5
316.98697	0.8
327.08884	0.9
333.16833	0.8
358.07971	0.9
399.12613	1.3
399.20258	1.5
417.13660	100.0
417.24844	5.7
418.13925	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	417.1547
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.02353	0.3
53.03921	0.8
53.12119	0.3
55.01840	1.2
55.05500	0.5
56.96554	0.3
57.03404	0.3
59.32553	0.3
61.02800	0.3
65.03951	2.9
67.05511	1.7
69.03399	0.7
70.63373	0.9
78.04722	2.5
78.65977	0.3
79.05495	3.3
81.03403	0.6
81.07015	0.7
82.04176	0.7
85.02901	2.1
85.06539	0.3
86.78872	0.3
91.05486	2.1
93.03347	0.7
93.07053	0.4
95.04986	2.7
95.08599	0.3
96.05714	0.4
97.06527	1.7
98.20829	0.4
102.04658	0.4
103.05470	3.6
105.03374	0.8
105.07012	0.8
106.04150	1.4
107.04961	4.7
107.08561	0.7
108.02101	0.6
109.02821	0.4
109.10114	0.5
110.03641	1.2
111.04437	0.8
115.05458	3.2
117.07034	5.3
118.04142	0.9
119.04945	0.4
119.08578	0.7
121.06522	0.6
122.03678	0.6
123.04435	6.8
124.05233	2.5
125.05968	1.3
127.03940	0.4
127.05483	0.6
129.06982	0.4
130.04111	0.5
131.04942	2.5
131.08540	0.3
133.02831	0.4
133.06519	0.7
134.03636	0.5
135.08035	0.3
137.05984	0.9
138.03114	0.7
142.02560	0.7
145.06490	8.0
147.08096	0.9
148.05186	1.6
151.03918	1.5
152.04716	2.3
153.05504	0.5
155.06009	2.1
161.06030	0.8
163.07584	2.8
166.07814	0.3
167.07047	100.0
168.07422	1.5
171.06537	1.9
173.06006	12.8
175.07553	1.2
176.04742	0.5
179.07054	0.3
181.04964	39.2
182.05270	0.7
187.07527	0.4
190.06207	0.4
191.07040	10.8
192.07408	0.4
193.08592	0.3
195.06557	1.3
201.05487	1.0
203.06984	0.3
205.08583	3.3
207.10254	0.7
207.57751	0.3
214.39436	0.3
217.05070	0.8
217.08536	0.5
219.10146	0.7
229.04895	0.3
233.08099	8.4
235.07545	0.7
235.09673	3.9
241.08743	0.4
263.09262	0.6
267.06573	0.5
267.10297	0.7
279.10022	0.3
280.07254	0.4
295.09918	0.5
299.05554	0.6
301.03595	1.2
303.05115	0.4
313.03415	1.8
323.08847	0.3
325.07275	0.4
355.08203	1.7
367.11957	0.7
381.13586	1.0
385.12793	0.6
387.14401	14.2
388.14944	0.5
399.10440	4.3
399.14447	0.8
417.15677	25.9
418.16180	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	417.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.7
55.01837	0.6
56.33311	0.3
56.96541	0.7
65.03941	2.8
67.05456	1.7
67.57062	0.4
69.03380	1.4
69.07021	1.1
70.70618	1.0
71.04956	0.6
78.04710	2.4
79.05491	5.2
81.03370	0.6
81.07062	1.9
82.04150	1.6
83.04949	0.8
85.02911	2.6
89.03950	0.5
91.05465	2.1
93.03362	0.7
93.06992	1.2
93.08779	0.4
95.04971	2.4
95.08566	0.8
97.02871	0.8
97.06531	3.3
103.05473	3.9
105.07047	2.2
106.04140	1.2
107.04973	7.3
107.08567	0.8
108.02070	0.6
109.02824	0.6
109.06509	0.9
109.10114	0.8
110.03630	1.7
111.04394	1.1
115.05464	3.3
117.07034	4.9
118.04137	0.6
119.04933	0.6
119.08548	1.2
121.06480	0.8
121.10122	1.0
122.03663	0.5
123.00784	0.7
123.04429	7.0
124.05227	4.3
125.05988	1.8
125.09579	0.4
127.05403	0.8
130.04108	0.4
131.04930	3.0
131.08537	1.0
132.05693	0.5
133.02827	0.6
133.06473	0.6
133.10106	0.7
134.03589	0.5
135.04453	0.7
135.08144	0.5
137.02316	0.6
137.05959	1.4
138.03125	1.0
142.02631	1.0
144.05666	0.5
145.06488	8.7
145.10054	0.4
146.03456	0.4
148.05214	1.8
149.05954	0.6
151.03903	1.7
151.07591	0.7
152.04716	2.5
153.05412	0.4
155.04930	0.6
155.06026	2.5
156.05713	0.6
157.06465	0.5
161.05994	1.0
163.03923	0.4
163.07532	2.5
165.05440	0.5
167.07043	100.0
168.07401	1.8
171.06564	2.5
173.06001	14.1
175.07513	0.8
181.04961	46.4
182.05347	1.1
187.07567	0.6
191.07040	9.0
192.07333	0.4
195.06549	1.5
201.05501	1.0
205.08569	3.6
209.08107	0.6
217.05072	0.6
217.08633	1.2
219.10294	0.5
219.17484	0.6
221.08049	0.5
233.08089	7.8
235.09621	3.1
241.10698	0.8
243.06511	0.6
245.04568	0.6
267.09140	0.4
269.04565	0.5
285.10324	1.4
299.05685	1.2
301.03644	1.1
303.05054	0.5
311.08997	0.5
313.03458	2.7
322.09357	0.4
325.07068	0.6
325.10782	0.4
329.10254	0.6
339.12463	0.5
344.12607	0.7
355.08035	2.6
371.15146	0.8
381.13626	0.8
385.13159	0.4
387.14392	13.1
399.10425	5.6
399.14951	1.2
400.11462	0.4
415.11374	0.5
417.15851	25.1
417.20758	1.8
418.16180	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	417.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34729	4.7
55.05500	18.5
56.50466	5.4
57.07057	13.2
67.05511	37.2
69.07053	20.8
69.50669	17.5
69.51080	18.5
70.06588	7.5
71.04980	8.0
77.47831	5.7
79.05489	29.8
81.03416	6.3
81.07065	72.8
83.08627	7.3
85.06551	9.2
88.07621	9.0
91.05468	34.2
93.07046	61.2
95.04977	16.3
95.08604	63.3
98.98466	14.8
102.09164	5.4
105.07027	87.0
107.08588	61.2
109.02950	5.8
109.06525	58.9
109.10144	37.7
111.08088	7.8
111.20754	5.8
117.06995	11.7
119.08575	100.0
121.06503	6.3
121.10145	74.0
123.08031	14.3
123.11727	25.6
128.06224	11.9
129.06992	18.9
131.08569	48.6
133.06532	11.3
133.10114	82.1
135.08072	17.4
135.11684	44.3
137.09616	7.7
141.06999	7.4
142.07790	21.6
143.08554	42.1
145.10118	45.7
147.08047	22.7
147.11678	26.4
149.09554	14.4
155.01028	20.6
155.08533	15.3
156.09384	12.5
157.10130	62.2
158.10823	7.0
159.08047	8.2
159.11688	22.5
161.09631	19.5
161.13248	11.2
163.11179	6.7
165.07022	7.9
167.08568	10.8
169.10121	28.0
171.11697	30.3
173.09668	15.7
173.13313	27.2
175.11243	10.0
175.14828	10.5
177.12653	6.1
177.16330	5.5
178.07928	6.0
179.08554	10.3
180.09357	8.5
181.10120	26.2
183.11655	27.7
184.12556	7.0
185.09615	11.5
185.13239	15.3
187.11227	9.8
187.14841	18.7
189.12782	5.7
189.16365	11.9
192.09468	6.3
193.10129	16.6
194.10858	11.2
195.11676	35.5
195.99147	5.3
196.12383	6.8
197.09631	11.8
197.13271	11.8
199.11157	10.4
199.14905	8.0
204.09419	4.7
205.09993	9.6
206.10875	9.2
207.11710	20.8
208.12404	6.4
209.13277	19.6
211.11183	9.5
211.14883	13.9
213.12657	10.5
213.16502	9.1
215.14299	6.3
219.11641	8.5
220.12460	14.7
221.13258	19.7
223.11227	6.3
223.14615	8.8
225.12778	8.3
225.16222	6.8
227.14265	7.9
227.18068	6.8
232.12364	5.5
233.13216	20.1
235.14822	15.7
237.12700	9.8
237.16298	12.2
239.14226	7.2
239.17964	10.5
245.13039	6.7
245.22516	6.1
247.14824	7.6
249.16365	9.7
251.17856	7.7
256.26416	7.0
259.14795	11.2
263.23734	14.8
267.17383	10.2
275.17743	7.6
277.15881	10.2
285.16400	7.5
294.58115	6.1
295.17270	10.1
299.17801	6.8
301.19540	11.6
341.22449	9.1
349.21146	6.1
357.25687	14.0
359.23788	10.1
373.24942	7.0
375.26749	21.8
389.28079	6.2
399.26855	31.3
412.19839	6.7
417.27802	98.9
417.35696	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	418.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.3
55.05503	1.5
67.05502	1.2
69.45665	9.7
70.06596	1.7
72.08175	1.1
81.07039	2.3
84.08135	1.9
85.02914	1.2
85.06520	1.2
86.09677	1.9
95.08582	1.9
97.10217	1.1
98.20802	2.5
109.10160	1.6
115.78170	1.1
121.10179	1.6
137.09558	1.3
140.04971	5.5
155.06035	22.9
155.07199	2.2
167.06036	3.9
167.07130	3.3
168.06943	4.2
169.07613	35.1
170.06029	2.6
179.06027	12.4
180.06949	1.2
181.05063	3.3
181.07642	3.4
182.08421	3.6
183.05554	19.1
183.09140	2.6
185.07104	11.1
192.06647	1.6
193.07564	14.6
194.06058	3.2
195.05533	30.9
196.06320	11.8
197.07106	24.3
198.05496	6.4
201.06493	1.2
207.05499	7.7
208.06259	2.5
209.07123	4.9
210.07697	1.4
211.05040	1.7
211.08693	6.5
213.06573	26.8
221.07100	21.2
223.05038	2.2
225.06583	47.1
226.07053	1.4
229.06058	20.7
237.06560	5.6
238.07338	4.2
239.04466	2.8
239.08139	26.9
241.06134	3.9
243.07693	7.0
249.06532	9.3
253.05980	5.4
255.07626	2.0
257.05457	5.4
264.23242	3.8
265.06024	2.1
267.07654	19.2
269.05530	3.3
271.07132	32.9
277.06094	10.0
282.24356	4.3
283.07159	2.4
283.24597	2.9
285.05515	1.8
285.08688	38.1
295.07120	33.6
300.25247	2.2
312.09772	2.1
313.08173	49.7
331.09259	14.4
336.09421	1.7
340.09332	6.1
354.10840	4.5
358.10321	47.1
372.11761	6.0
382.10193	8.1
399.31833	1.3
400.11359	62.9
417.33206	6.5
418.12405	100.0
418.33636	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	418.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
53.53996	2.1
55.01867	5.5
55.05507	6.4
56.05020	2.8
57.03445	3.4
59.04986	2.9
61.02917	6.7
67.05506	11.0
68.05013	4.2
69.03428	21.3
70.06589	12.6
71.04989	3.5
71.20003	5.5
72.08145	3.3
73.02911	2.6
74.06083	15.2
79.05473	9.4
80.05023	4.4
81.03411	7.0
81.07053	7.2
82.06574	10.3
83.04975	4.4
84.04488	5.4
84.08134	9.1
85.02909	30.0
85.06528	2.4
86.06064	9.1
86.09699	9.7
87.04455	10.0
91.05486	10.8
93.07034	11.6
94.06567	30.6
95.04967	8.8
95.08608	22.4
96.04513	3.1
96.08141	3.5
97.02889	20.3
97.06524	3.2
98.06059	17.3
99.04455	3.7
103.05479	6.5
104.07099	10.6
105.07039	10.9
107.04929	6.2
107.08608	5.6
108.08057	3.7
109.02885	5.3
109.06544	5.3
111.12926	2.3
112.07603	6.8
113.06004	3.5
114.05513	2.5
116.07109	3.0
119.08553	7.1
120.08110	8.3
121.02910	2.5
121.06501	14.1
121.10139	5.1
122.09630	2.6
123.04448	5.0
123.08086	7.1
124.07588	5.8
125.09615	5.0
126.05515	8.1
127.03915	42.2
128.06146	2.5
131.08549	3.0
133.06482	3.8
133.10120	2.4
134.09721	2.3
135.11705	3.0
137.09563	2.9
138.05513	5.2
138.09123	3.9
139.07486	3.7
140.07031	3.2
142.08589	3.5
143.03362	3.8
146.09616	3.5
147.04425	2.5
147.05516	4.7
147.08139	2.7
148.07611	11.1
148.11137	3.1
149.05978	6.8
149.09625	6.4
151.03893	3.2
157.06599	3.1
161.13235	5.5
164.07021	4.1
166.08664	8.7
167.07011	10.9
168.06567	8.0
174.09068	5.4
175.11147	3.9
176.07059	3.9
179.07097	3.3
189.12790	3.1
192.06691	2.7
192.10199	4.3
193.04987	3.5
193.08594	2.6
193.12248	3.5
194.08180	13.4
195.06514	11.2
202.08728	3.8
206.10338	2.7
207.13808	16.4
208.09732	3.3
210.11217	8.8
214.67729	2.3
215.03136	16.6
220.09695	37.0
220.13373	4.2
221.04430	7.5
221.08023	4.8
226.06805	13.2
232.08218	3.4
238.10745	100.0
238.14461	8.3
239.05592	2.5
256.08276	6.9
256.11795	21.8
256.15500	7.2
260.12689	2.8
307.32886	2.6
318.16949	5.5
318.86743	2.5
328.15497	3.0
346.16525	3.5
400.20126	3.9
418.16373	10.4
418.21335	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96125	1.4
53.03931	2.9
55.01874	1.8
56.05034	3.0
57.03422	4.3
58.06321	3.3
58.06598	40.7
61.02930	4.1
67.05508	2.5
68.05038	1.8
69.03430	14.2
70.06584	10.4
71.05006	2.1
71.24679	3.0
72.08153	4.5
73.02927	3.0
74.67965	1.7
79.05502	7.4
80.04989	3.0
81.03407	9.0
81.07072	2.5
84.08133	2.0
85.02907	33.9
86.09696	2.0
91.03993	2.0
91.05468	7.8
93.07054	6.0
94.06578	2.2
95.04962	7.3
95.08604	1.7
96.04491	1.7
96.08128	8.1
97.02905	13.4
98.06048	2.6
99.04478	2.8
103.05437	3.9
105.07026	5.6
106.06543	2.1
107.04964	26.2
107.08596	1.7
108.08080	1.5
109.02857	4.3
109.06516	3.3
114.05540	14.8
115.03992	1.7
116.30804	1.5
118.06578	1.6
119.04942	2.1
119.08562	2.7
120.08102	3.2
121.06494	7.2
122.06019	3.5
122.09644	1.6
123.04438	4.3
124.07573	4.4
125.02348	15.8
125.05989	2.4
126.05527	2.1
127.03928	7.2
129.06995	2.6
131.07288	1.6
131.08617	2.5
132.08127	3.0
133.06479	4.8
135.04428	2.2
137.05969	11.9
138.06764	6.7
145.04951	2.1
146.09656	2.7
147.04372	3.4
147.08028	3.8
148.07556	3.7
149.05960	8.4
149.09601	3.4
150.05511	6.3
150.09140	3.6
151.03894	10.7
151.07556	4.1
153.05437	2.7
157.06502	1.7
157.10278	2.2
161.05933	2.6
163.03897	6.0
165.05370	2.4
167.07037	2.0
174.09158	7.1
175.03935	3.5
175.07576	4.1
176.07060	5.0
176.10669	2.7
177.05479	5.2
177.09120	4.1
182.09378	13.9
191.07011	1.9
192.10187	3.4
193.04970	2.0
193.12288	2.6
194.08136	3.0
194.11766	6.0
195.06514	4.3
202.05052	1.7
202.08620	7.7
203.07033	15.6
206.10274	5.5
210.11296	2.8
212.08891	1.7
212.12804	4.4
213.07518	2.3
220.06125	4.5
220.09659	18.5
221.08061	5.8
238.07036	3.4
238.10759	73.1
239.11143	2.1
256.03809	2.0
256.11816	100.0
257.12045	1.9
267.15915	1.6
289.42795	1.9
418.17035	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	418.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01868	4.3
55.05495	3.2
56.05042	5.0
57.03431	5.9
57.78544	2.3
58.06604	50.1
58.57869	2.2
60.10810	1.9
61.02924	5.7
66.58741	2.2
67.05515	5.7
69.03433	21.8
69.48550	17.2
70.06596	30.9
71.05008	3.2
72.08145	8.0
73.02948	3.1
79.05512	13.6
81.03422	16.3
81.07059	7.8
83.04977	3.3
84.04523	3.5
84.08144	15.5
85.02909	42.5
86.03284	2.7
86.09703	6.7
87.04456	4.3
88.04017	4.5
91.05504	12.4
93.07037	6.6
94.06593	6.1
95.04973	8.1
96.04508	3.9
96.08132	10.4
97.02905	21.4
97.06516	3.0
98.06087	3.3
99.04459	3.8
102.23823	2.3
103.05485	6.2
105.07047	8.8
106.06548	2.7
107.04958	34.7
107.08603	2.8
109.02880	9.1
109.06525	3.4
110.06049	2.7
110.07140	4.3
114.05535	23.9
116.98635	2.5
119.04999	3.2
119.08598	5.5
120.08114	5.0
121.06496	7.3
121.10167	2.6
122.06056	3.8
122.09692	3.2
123.04453	6.8
124.07653	4.8
125.02370	21.2
125.06008	5.5
127.03942	8.8
129.06989	6.2
129.10266	9.0
131.04898	2.7
131.08588	3.1
132.08102	5.5
133.06516	7.0
133.10170	3.0
134.04489	3.7
135.04417	4.1
135.08076	4.4
136.07578	4.4
137.05969	6.2
141.05453	4.8
145.04991	4.3
146.09598	3.6
147.04442	5.1
147.08014	7.0
148.07553	5.0
149.02504	2.1
149.05966	9.1
149.09720	4.2
150.05516	6.7
150.09132	7.0
151.03903	13.6
151.07584	6.4
161.06010	3.6
163.03940	7.1
163.07527	4.1
164.07106	2.4
164.10828	2.4
167.07045	5.4
168.06538	3.3
169.13356	3.2
174.09177	9.9
175.07568	5.0
176.07094	5.0
176.10710	5.4
177.05432	5.6
177.09100	6.9
178.08563	2.7
179.07062	2.8
181.04918	2.9
181.08534	2.8
182.09435	2.9
191.06905	2.5
192.10179	6.0
193.12259	7.7
194.08093	4.4
194.11783	9.1
195.06555	6.2
195.10069	3.3
202.08597	11.0
203.06992	21.2
203.96425	2.2
206.10278	6.8
212.12791	3.3
213.11234	3.4
220.06172	3.9
220.09741	19.3
221.08061	10.1
224.43132	2.3
234.50551	2.1
238.10751	81.8
256.11813	100.0
308.16214	2.5
327.63007	3.0
400.15710	3.0
418.16705	40.9
418.25690	3.1
434.73929	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	418.1706
Annotation	 (1S,4R)-passicapsin
Peak:m/z	Relative Intensity
53.03939	2.4
54.81876	0.8
54.94365	0.6
55.01859	2.2
55.05489	0.8
56.05029	1.0
56.96560	1.2
57.03431	5.4
58.06590	3.2
60.04523	0.7
61.02919	4.9
65.03928	2.0
67.05499	1.6
67.80642	0.7
68.05038	1.3
69.03432	19.3
70.06580	3.2
70.55895	1.4
70.56284	1.8
71.01376	0.8
71.04981	2.3
72.07809	0.6
72.08148	4.0
73.02910	4.8
76.70512	0.8
79.05502	4.0
81.03419	8.0
81.07038	1.5
82.06582	2.9
83.01357	1.2
83.04986	1.8
84.04496	0.6
84.08138	1.5
85.02905	19.4
86.03244	0.6
86.09688	2.4
87.04472	4.3
87.10046	0.9
91.03944	1.6
91.05472	4.2
93.03409	2.6
93.05789	0.8
93.07039	2.6
94.06573	3.0
95.04964	1.4
95.07342	1.0
96.08130	6.6
97.02888	10.5
98.06033	1.2
98.97559	1.3
99.04436	3.0
100.07619	1.1
103.05488	1.1
105.07031	1.7
107.04948	3.4
107.07369	1.0
108.08121	14.2
109.02881	3.8
109.08900	2.2
110.06065	3.7
111.04427	3.8
115.03935	1.4
117.05803	0.8
119.04919	3.9
120.08091	6.5
121.02838	4.1
121.06467	2.4
121.08859	1.0
122.06001	1.1
122.09689	2.4
124.07581	16.5
127.03919	5.8
128.07088	1.6
131.04945	1.0
131.07327	1.7
132.08093	2.9
133.05190	1.2
135.04405	3.1
136.07573	15.8
137.06001	1.0
138.05498	16.0
138.09134	1.5
139.03889	3.0
140.07094	1.2
145.02890	2.2
145.04987	1.5
147.04422	2.0
148.07573	18.0
149.02339	2.7
149.05997	2.3
150.09138	15.9
151.50211	0.8
152.07079	1.5
153.05482	7.0
154.04955	4.2
154.08644	4.3
158.06067	0.9
159.04413	0.8
160.07594	1.5
161.05913	1.3
162.09149	1.7
163.03889	2.9
165.05537	1.8
165.48492	0.6
166.08673	3.4
167.03416	1.5
170.08084	1.1
175.03871	0.8
176.07068	24.8
177.05479	2.8
178.08618	11.9
179.07019	0.9
180.10185	1.2
181.04961	11.6
188.07251	1.0
190.08600	5.7
192.06578	1.3
192.10124	1.0
193.08627	2.7
194.08130	3.8
196.09692	0.9
202.89679	0.7
206.08165	12.9
208.09685	10.7
209.08133	0.7
210.11224	15.7
219.01768	0.9
220.09795	2.9
222.11275	1.6
224.09178	7.1
226.10750	2.8
237.02921	1.1
238.10730	66.0
256.11786	42.9
274.12643	1.1
400.15973	9.5
418.17059	100.0
419.17984	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
53.53996	2.1
55.01867	5.5
55.05507	6.4
56.05020	2.8
57.03445	3.4
59.04986	2.9
61.02917	6.7
67.05506	11.0
68.05013	4.2
69.03428	21.3
70.06589	12.6
71.04989	3.5
71.20003	5.5
72.08145	3.3
73.02911	2.6
74.06083	15.2
79.05473	9.4
80.05023	4.4
81.03411	7.0
81.07053	7.2
82.06574	10.3
83.04975	4.4
84.04488	5.4
84.08134	9.1
85.02909	30.0
85.06528	2.4
86.06064	9.1
86.09699	9.7
87.04455	10.0
91.05486	10.8
93.07034	11.6
94.06567	30.6
95.04967	8.8
95.08608	22.4
96.04513	3.1
96.08141	3.5
97.02889	20.3
97.06524	3.2
98.06059	17.3
99.04455	3.7
103.05479	6.5
104.07099	10.6
105.07039	10.9
107.04929	6.2
107.08608	5.6
108.08057	3.7
109.02885	5.3
109.06544	5.3
111.12926	2.3
112.07603	6.8
113.06004	3.5
114.05513	2.5
116.07109	3.0
119.08553	7.1
120.08110	8.3
121.02910	2.5
121.06501	14.1
121.10139	5.1
122.09630	2.6
123.04448	5.0
123.08086	7.1
124.07588	5.8
125.09615	5.0
126.05515	8.1
127.03915	42.2
128.06146	2.5
131.08549	3.0
133.06482	3.8
133.10120	2.4
134.09721	2.3
135.11705	3.0
137.09563	2.9
138.05513	5.2
138.09123	3.9
139.07486	3.7
140.07031	3.2
142.08589	3.5
143.03362	3.8
146.09616	3.5
147.04425	2.5
147.05516	4.7
147.08139	2.7
148.07611	11.1
148.11137	3.1
149.05978	6.8
149.09625	6.4
151.03893	3.2
157.06599	3.1
161.13235	5.5
164.07021	4.1
166.08664	8.7
167.07011	10.9
168.06567	8.0
174.09068	5.4
175.11147	3.9
176.07059	3.9
179.07097	3.3
189.12790	3.1
192.06691	2.7
192.10199	4.3
193.04987	3.5
193.08594	2.6
193.12248	3.5
194.08180	13.4
195.06514	11.2
202.08728	3.8
206.10338	2.7
207.13808	16.4
208.09732	3.3
210.11217	8.8
214.67729	2.3
215.03136	16.6
220.09695	37.0
220.13373	4.2
221.04430	7.5
221.08023	4.8
226.06805	13.2
232.08218	3.4
238.10745	100.0
238.14461	8.3
239.05592	2.5
256.08276	6.9
256.11795	21.8
256.15500	7.2
260.12689	2.8
307.32886	2.6
318.16949	5.5
318.86743	2.5
328.15497	3.0
346.16525	3.5
400.20126	3.9
418.16373	10.4
418.21335	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62866	4.5
53.03942	7.6
55.01877	6.8
55.05500	13.6
56.96560	24.0
57.03431	16.1
57.07069	5.9
60.04518	4.9
61.02929	13.2
62.44773	4.5
67.05515	12.1
68.04996	5.3
69.03432	24.2
69.07070	20.3
70.06601	48.7
71.05003	4.9
71.49331	5.9
72.08155	60.0
72.35626	5.0
73.02923	32.0
79.05486	16.9
81.03413	29.0
81.07092	9.4
82.06593	7.5
84.04525	11.8
84.08145	29.6
84.96027	6.8
85.02906	38.0
86.09706	35.6
87.04446	6.4
87.10034	6.1
88.04044	4.5
91.05492	55.2
93.07063	9.0
95.04972	20.2
95.08590	6.0
97.02895	27.9
97.06567	4.7
98.97568	38.2
101.07135	7.8
102.05524	5.0
105.07013	10.5
107.04984	13.9
107.28705	4.3
109.02891	14.9
109.06498	9.0
109.10158	5.3
109.91837	4.5
110.07171	7.3
110.97611	4.7
111.02729	4.3
111.04469	6.0
111.08102	5.5
113.06010	5.0
115.03951	11.3
116.07098	18.9
116.98615	28.6
120.08112	29.4
122.06009	5.9
123.04441	8.7
123.08089	5.8
125.02369	13.0
127.03931	12.6
128.98590	11.9
129.07050	5.2
129.10239	15.0
131.04938	7.6
131.08591	5.0
133.04974	10.4
133.06519	11.0
134.04549	6.3
134.99646	13.8
136.07564	7.0
137.06000	17.8
139.07445	4.5
143.00182	6.9
145.04965	16.4
145.06459	4.5
146.99675	9.5
147.04472	6.2
147.05524	5.8
149.02409	7.2
149.05968	7.5
151.03915	8.4
153.05511	10.1
158.99738	9.1
161.01123	5.0
161.05984	6.6
163.07541	4.9
167.07025	13.9
171.11319	5.3
173.12920	8.4
177.00703	16.2
181.04942	6.4
189.00706	12.3
193.05122	6.1
193.12309	9.4
194.12669	6.8
201.04356	7.8
203.55188	5.5
207.06468	5.3
207.08176	4.9
217.24007	4.9
219.01880	8.0
219.05293	5.6
223.09657	7.1
231.09055	8.5
237.02805	11.4
258.08032	11.2
268.16373	6.6
305.08987	31.2
315.08755	5.5
341.03207	5.5
419.13330	100.0
419.35123	6.9
420.12918	10.3
437.13092	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	419.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43401	1.2
56.96547	2.5
60.04518	1.8
69.03431	2.2
71.08638	1.2
71.49226	1.5
72.08147	1.4
74.06092	1.2
79.05535	1.1
80.78352	1.2
81.03406	1.2
82.20238	1.1
83.68964	1.1
85.02904	3.7
86.09715	1.8
93.07076	1.2
94.65340	1.3
95.04961	1.4
97.02909	1.4
98.97584	2.2
116.98623	2.5
119.01973	1.6
128.98567	1.5
132.45442	1.2
137.79683	1.2
142.02576	1.1
183.06288	1.5
201.06107	1.9
214.09999	1.3
215.86536	1.3
219.01924	1.6
237.02782	2.4
239.09003	2.0
257.09964	100.0
287.21484	1.2
384.25568	1.6
419.15237	64.5
420.15622	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	419.17
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
52.30206	2.1
53.03938	4.2
55.01873	39.6
55.05503	2.7
57.03422	2.8
60.15915	2.6
65.03926	10.2
67.05502	6.0
69.03439	3.8
69.07046	3.5
69.26447	6.3
69.26867	17.8
70.06571	2.9
72.59965	2.4
79.05480	12.9
81.03423	6.2
81.07034	3.5
82.04198	3.2
85.02900	9.4
91.05477	9.0
93.03391	2.7
93.07035	5.8
95.04996	11.7
95.08591	2.7
97.06514	7.7
98.21504	4.2
98.97528	2.6
103.05454	25.4
105.07034	19.5
106.04164	2.8
107.04961	14.8
107.08572	5.6
110.03671	4.5
111.04428	3.8
111.08057	2.2
115.05437	10.8
117.03397	2.8
117.07004	6.4
118.04156	4.4
119.04914	3.2
119.08566	3.1
121.06509	8.5
123.04407	10.5
125.05979	5.1
128.06180	4.0
129.07021	5.1
131.04933	21.0
131.08551	6.4
132.05719	3.2
133.02805	3.4
133.06479	14.1
137.05974	9.8
138.03148	5.5
139.03912	3.0
140.04593	3.2
141.06982	4.6
144.05692	4.7
145.06459	9.1
146.03613	2.8
147.04425	4.0
147.11690	2.7
148.05165	7.2
149.05937	11.7
152.04680	2.6
153.05466	6.3
154.06441	2.8
159.04353	4.5
159.08073	12.0
161.05972	19.9
162.06282	4.2
163.03915	2.5
163.07524	22.2
163.11198	2.9
165.05495	2.9
167.07040	91.4
167.08466	4.4
168.07327	12.5
171.06493	5.6
173.05978	9.7
177.05489	32.9
180.07939	4.0
181.04964	100.0
181.08218	6.8
182.05286	10.0
183.06549	6.7
187.07530	8.9
189.05542	3.0
190.06186	3.4
191.07025	75.5
193.08583	12.4
194.08926	2.6
205.06850	3.0
205.08594	15.8
208.05243	3.9
209.08089	53.7
210.08669	3.6
217.08604	9.7
219.10168	9.7
221.08009	4.8
235.07472	2.7
235.09613	7.8
247.07452	5.8
247.09679	6.8
248.08240	4.7
249.11302	11.5
263.07013	2.8
264.07910	3.8
265.10898	4.4
269.07993	7.0
271.09677	2.9
276.07822	4.0
279.10138	4.4
293.07965	4.0
295.09595	2.7
307.09485	3.8
315.08591	21.6
323.12866	3.6
330.10980	29.0
334.36008	2.8
343.11816	3.2
351.12457	4.5
369.13345	8.5
383.14777	6.5
389.15601	3.0
401.16129	13.1
419.19199	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	419.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85453	1.5
53.03944	3.4
54.25651	1.4
55.00431	1.8
55.01877	37.7
55.05511	4.5
56.96581	2.4
57.03440	2.3
57.07077	1.9
65.03943	12.1
66.95831	1.6
67.05504	14.7
69.03421	7.7
69.07053	8.0
71.04951	1.6
71.08630	2.0
71.49706	2.6
76.04298	1.4
77.03932	2.2
79.05492	18.5
81.03423	6.6
81.07061	18.4
82.04201	3.6
83.04984	3.9
85.02914	11.4
85.06561	2.4
86.09732	1.9
89.03915	2.5
91.05470	15.3
93.03429	3.0
93.07056	10.2
95.04966	13.7
95.08610	10.1
97.02927	2.6
97.06534	20.3
103.05480	22.6
105.03423	4.2
105.07037	24.1
106.04199	2.0
107.04967	21.4
107.08598	7.2
108.02081	3.2
109.06516	6.5
109.10173	9.9
110.03669	4.4
111.04461	6.7
113.02407	2.0
115.05455	9.6
116.98589	2.5
117.07016	4.5
118.04149	5.0
119.04948	2.7
119.08596	8.0
121.06514	12.2
121.10140	5.3
123.00756	1.8
123.04434	13.2
123.11722	2.5
124.05237	3.4
125.06044	8.4
125.09636	2.6
127.03905	2.9
127.11229	3.3
128.06186	2.2
129.06981	4.7
130.04173	2.1
131.04938	19.6
131.08574	5.2
133.02849	2.3
133.06508	14.3
133.10141	5.2
134.03654	2.3
135.04410	3.5
135.08098	3.7
135.45638	1.7
137.05951	4.3
137.09642	1.8
138.03294	2.0
139.03900	2.5
140.04646	1.9
141.06998	2.2
142.02611	3.5
144.05728	3.4
145.06491	6.8
145.10115	3.4
147.04434	2.4
147.08122	2.7
147.11714	2.1
148.05212	8.0
149.01250	2.6
149.02379	3.8
149.05995	17.9
149.09619	2.7
149.13333	2.0
151.03899	4.0
151.07552	3.6
152.04697	2.7
152.06053	1.6
153.05446	5.3
153.09158	2.0
155.07108	2.1
157.10193	3.3
159.04457	2.5
159.08011	7.9
159.11696	3.5
161.02371	2.9
161.05980	16.2
161.09572	2.6
163.03952	6.8
163.07538	18.8
165.05530	4.9
165.09024	1.6
167.03400	3.0
167.07053	71.2
168.07442	6.2
169.06393	2.2
171.06525	8.3
171.07886	2.1
173.02400	1.9
173.06003	4.7
173.13274	2.3
175.07599	4.0
177.05475	44.1
178.06206	2.3
179.03403	2.8
179.07080	2.2
180.07854	2.8
181.04970	100.0
181.08385	4.7
182.05347	5.0
183.06573	7.5
185.06091	1.9
187.07556	7.2
191.07037	72.8
192.07605	2.5
193.05103	2.7
193.08577	13.4
193.10181	1.8
193.12271	6.5
197.06017	1.8
201.09219	1.7
203.18031	3.2
204.07755	1.6
205.08585	11.9
207.10081	2.4
208.07433	1.8
209.08086	88.3
211.05951	3.7
215.03387	2.3
215.07037	6.3
217.08685	2.4
219.08180	3.0
219.10204	8.1
221.06076	3.6
221.08138	2.8
221.19012	4.0
224.08012	7.7
224.58289	3.7
225.05565	1.7
233.08069	2.0
235.07480	2.6
235.09605	4.5
237.05658	2.5
239.03287	1.9
247.07489	3.4
247.09778	6.0
248.04613	2.3
249.05505	4.4
249.08978	3.1
249.11234	7.8
253.04828	3.6
259.09619	2.4
264.07745	2.2
265.04929	5.6
265.10629	9.3
266.05756	3.4
277.04849	2.3
277.08850	1.8
293.08069	2.1
294.05344	2.0
295.06104	3.3
297.04056	2.1
307.09744	2.2
309.03925	3.1
311.05499	1.8
315.08856	1.5
322.04742	2.6
323.05536	6.2
324.10556	4.1
327.13007	1.8
330.10962	2.1
369.13400	5.6
371.14807	2.4
383.14789	2.7
387.06998	2.4
401.11166	2.5
401.15921	11.6
419.11252	21.4
419.16864	10.8
419.24301	4.2
419.32895	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	419.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23915	4.6
55.01879	20.6
55.05497	10.4
56.96552	7.0
57.03430	6.3
57.07046	4.3
58.80268	3.5
62.28645	3.9
65.03900	4.6
67.05502	20.1
69.03422	14.8
69.07086	22.4
69.71046	25.8
69.89771	3.7
70.06571	5.0
71.05004	9.2
79.05491	31.7
81.03407	12.0
81.07058	37.0
83.04984	5.3
85.02898	15.7
85.06506	4.3
86.09696	11.6
91.05474	21.6
93.07062	20.8
95.04956	11.7
95.08604	17.2
97.02916	10.1
97.06540	70.9
98.20790	7.5
98.97628	5.5
103.05484	10.0
105.07050	24.4
107.04944	18.4
107.08596	26.9
109.06493	4.5
109.10144	16.6
111.04447	4.5
115.05467	5.2
117.07044	5.2
118.06521	17.9
119.08619	20.3
121.06504	9.8
121.10159	10.2
121.17924	3.7
123.04435	13.0
123.11698	5.9
125.06015	7.7
127.87319	3.8
131.04935	10.1
131.08554	13.5
133.02850	6.0
133.06490	10.2
133.10117	16.8
135.04269	4.7
135.11684	16.2
137.05969	9.7
139.11096	5.1
141.06868	4.5
143.08517	5.9
144.05739	5.5
145.10190	3.9
146.06000	10.1
147.11711	7.0
149.02318	4.6
149.05981	10.4
153.07048	5.6
154.51512	3.7
157.10068	5.9
159.08003	6.2
159.11751	9.1
161.02319	4.8
161.06024	9.6
161.09616	4.6
163.03966	11.5
163.07573	9.2
165.06998	4.6
167.05862	5.9
167.07076	55.2
168.07370	25.2
169.07680	8.8
173.06023	6.4
173.09764	4.7
175.07597	7.7
177.05484	19.6
178.06001	4.4
179.08365	4.5
181.04968	52.1
181.08595	10.0
182.05301	11.2
183.05397	6.9
187.07588	7.1
191.07021	25.4
192.07440	4.5
193.08655	5.1
193.12334	7.4
203.17961	9.0
205.08629	7.1
206.08099	48.1
209.08047	32.1
211.13184	5.6
219.10059	7.9
221.05988	9.4
221.18983	10.6
237.05438	8.6
249.05513	16.9
249.11226	5.3
263.06750	5.0
265.04959	14.8
266.05609	5.2
277.04965	12.3
279.06357	6.3
291.06564	5.0
293.04343	8.5
295.05975	16.9
305.04385	10.8
315.08286	5.8
319.09607	5.5
323.05548	21.9
324.10532	6.1
333.04007	14.7
334.62222	4.8
347.08963	5.1
374.17017	7.2
375.08514	13.1
389.15057	6.1
401.10837	6.6
401.15985	14.8
401.21976	4.5
402.16174	6.8
419.11194	100.0
419.15848	12.9
419.21310	68.8
420.11563	11.6
420.22214	8.4
441.27881	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	419.2641
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
53.03965	9.4
54.02925	10.2
55.01864	30.9
55.05516	18.5
67.05496	44.9
69.07054	27.3
70.69904	18.4
70.70239	11.9
71.04994	20.2
79.05483	41.6
81.07069	90.5
83.05012	10.3
83.08602	14.0
85.02882	25.1
91.05486	25.0
93.07039	41.7
95.04979	13.3
95.08614	36.3
97.02911	10.9
97.06528	91.1
103.05452	13.8
105.07011	32.9
107.04948	13.8
107.08583	50.8
109.10162	38.7
117.07021	11.3
118.06550	18.9
119.08584	41.4
121.06507	12.6
121.10138	14.8
123.04430	15.9
123.11687	19.8
124.29574	8.4
127.11150	16.1
131.08577	10.4
133.06465	14.7
133.10112	28.0
135.11702	78.0
141.27284	8.5
143.10658	15.8
145.06535	10.7
147.11667	18.9
149.05968	18.2
149.13168	10.3
161.05954	14.7
167.07059	78.3
168.07381	14.2
177.05507	35.8
181.04973	90.0
182.05412	9.6
183.81657	9.0
193.08498	11.2
193.27438	8.6
203.18008	30.9
206.08118	25.6
209.08043	56.6
221.05948	10.7
221.18913	19.9
237.05424	12.0
249.05530	14.4
265.04944	18.5
277.04919	13.9
295.06015	13.3
305.04288	12.9
323.05386	32.3
333.04202	9.8
359.12350	14.9
375.08331	15.2
387.12085	12.4
401.15726	13.5
419.11154	100.0
419.16318	23.2
419.21774	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	419.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	49.7
55.05507	10.7
56.05038	6.1
56.38969	3.6
56.96569	7.9
57.03430	4.4
57.07069	5.5
65.03933	13.5
67.05515	22.8
69.03429	9.9
69.07058	21.0
70.06597	5.4
70.70383	10.8
71.04993	16.2
79.05499	34.7
79.94046	3.8
81.03415	10.5
81.07054	55.3
82.04183	4.6
83.04971	6.9
83.08591	8.2
85.02914	9.6
86.06040	4.7
87.50544	4.4
88.83245	4.2
91.05488	21.7
93.07024	30.2
94.26936	4.3
95.04982	18.3
95.08612	24.5
97.06530	41.4
99.21780	5.3
103.05479	19.5
104.07107	6.6
105.07024	37.1
107.04955	17.8
107.08591	30.0
109.10162	25.3
115.05469	6.5
117.07003	5.5
118.76826	4.4
119.08583	34.0
121.06496	11.4
121.10137	17.2
123.04412	11.2
123.11693	14.1
125.05978	7.7
126.05526	9.5
127.11198	5.2
129.07066	5.6
131.04938	10.6
131.08565	6.8
133.06479	13.2
133.10161	25.2
135.07983	4.5
135.11707	44.6
137.05989	8.2
138.99413	7.9
141.07028	9.4
143.08667	5.3
143.10710	8.9
145.06487	6.7
145.10184	7.0
147.07957	4.7
147.11694	9.9
148.05176	6.0
149.01241	5.8
149.05988	13.6
149.13232	6.1
153.09145	4.3
159.08012	12.6
159.11684	6.2
161.05981	17.5
163.03911	7.8
163.07516	14.4
165.07033	5.5
167.07057	72.7
167.08443	5.7
168.07425	5.7
171.06607	7.2
171.11603	4.8
173.06018	7.9
177.05463	36.7
181.04967	100.0
181.06541	7.5
181.08549	6.6
182.05251	8.8
183.06606	9.2
187.07558	6.3
187.36188	4.5
191.07062	33.9
192.07463	4.1
193.08562	10.7
193.12253	13.0
203.17976	29.2
205.08638	8.6
209.08084	58.9
219.08101	4.8
219.10109	8.6
221.06012	11.8
221.19026	20.9
224.58324	4.9
237.05595	5.5
247.09595	10.6
249.05539	10.9
249.11206	11.0
259.10013	5.7
261.06891	6.5
265.04935	7.7
265.10602	6.9
266.05707	9.2
268.53131	5.0
277.04910	4.7
279.06516	4.8
293.04529	9.6
295.06027	7.0
305.04352	9.4
323.05487	13.3
324.10391	16.2
333.03867	7.9
333.11267	6.1
369.12955	8.9
371.14890	5.1
375.08563	10.1
389.15460	4.9
401.16071	11.2
419.11261	61.4
419.16675	17.6
419.23038	7.5
419.33121	8.8
420.11267	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	419.3308
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
53.03941	1.3
55.05511	9.7
57.03404	0.9
57.07060	4.5
58.66173	1.0
60.60329	1.0
67.05504	8.2
69.07063	10.2
69.76534	5.0
70.23753	0.9
71.01375	1.1
79.05493	8.2
81.03429	1.3
81.06671	1.3
81.07056	14.3
83.08614	6.7
85.06538	3.5
91.05461	10.9
93.06499	1.4
93.07037	15.5
94.31860	0.9
95.04956	1.2
95.08604	21.1
97.06495	1.4
97.10175	2.4
98.21429	1.8
105.07028	22.4
107.08591	20.9
109.10153	13.3
111.08081	5.6
115.05449	1.5
117.06992	3.6
119.08569	26.3
121.10143	14.8
123.08069	2.1
123.11694	8.6
128.06230	2.8
129.06981	5.3
130.07788	1.5
131.08572	14.7
133.10120	37.6
134.10439	1.2
135.08005	1.6
135.11676	11.0
137.05933	1.4
137.09625	1.2
137.13234	4.2
141.06935	1.7
142.07779	4.0
143.08560	14.1
144.09358	1.4
145.10097	16.2
147.11688	15.3
149.13225	4.9
155.08543	9.0
156.09349	3.1
157.10129	19.4
158.10812	1.6
159.11682	15.8
161.09706	1.3
161.13254	11.1
163.14787	1.9
165.07047	1.6
165.12717	1.4
167.08566	2.5
168.09360	1.9
169.10136	10.7
170.10829	3.3
171.11668	14.4
172.12317	1.5
173.13246	16.8
175.14807	11.1
177.16338	2.1
179.08595	2.1
180.09264	1.4
181.10085	4.9
182.10880	2.3
183.11702	10.6
184.12224	1.1
185.13257	18.3
187.14803	7.3
189.16418	8.4
191.18054	1.9
193.10072	4.0
194.10904	2.7
195.11736	7.2
196.12456	1.9
197.13240	15.4
198.13834	1.6
199.14841	13.1
201.16302	5.2
203.17963	1.6
205.15836	1.6
207.11725	3.8
207.17403	2.5
208.12378	2.7
209.13222	9.6
211.13486	0.9
211.14832	9.7
213.16357	9.4
215.17929	3.6
219.11800	1.5
221.13219	4.3
223.12936	1.4
223.14833	7.1
224.15593	1.9
225.16360	4.6
227.17987	4.0
229.19559	2.8
233.18973	2.4
235.14755	4.8
236.15572	1.3
237.16493	6.8
239.17932	4.9
241.19427	3.2
243.21118	2.4
249.16464	2.7
250.17189	1.5
251.17952	8.2
253.19521	2.8
255.21136	2.0
257.19028	2.1
261.16226	1.8
263.17932	3.3
265.19513	13.3
267.21179	1.9
269.19046	1.7
271.20538	3.6
275.17917	1.7
277.19562	2.2
279.18311	1.3
279.20987	6.7
283.20486	2.1
293.22754	1.3
300.68311	1.2
305.22659	1.8
306.70450	1.1
317.22568	1.2
319.18753	1.9
331.24030	1.4
333.25803	2.0
335.23730	1.3
349.25095	2.0
363.26840	2.0
386.29456	1.4
401.31894	12.5
419.27954	7.6
419.33029	100.0
420.28314	1.8
420.33524	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	419.3307
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
53.03948	0.9
55.01863	1.1
55.05508	7.4
55.70714	0.7
56.96551	1.5
57.03428	1.3
57.07066	3.2
59.04989	1.4
65.03945	1.1
67.05507	13.0
69.07066	14.8
70.18337	2.6
71.04988	1.5
71.08633	1.6
78.57970	0.7
79.05496	8.2
81.03413	2.2
81.07057	21.4
83.04977	2.0
83.08624	8.1
85.02902	1.6
85.06520	1.4
91.05465	9.0
93.07038	13.0
95.04970	2.8
95.08601	23.2
97.02911	0.8
97.06508	3.9
97.10160	3.5
98.97594	0.7
105.07037	16.9
106.27032	0.7
107.04967	1.1
107.08592	16.4
109.06531	1.5
109.10157	20.7
110.10467	0.9
111.08089	1.6
111.11681	1.2
117.07018	5.2
119.08573	17.2
121.06520	1.4
121.10140	15.4
123.08051	1.8
123.11696	11.0
125.09621	2.4
127.03965	0.9
128.06233	2.5
129.07013	3.7
131.08568	12.2
133.06499	0.9
133.10124	15.4
135.08064	1.7
135.11699	8.0
137.05905	1.0
137.09633	2.0
137.13229	4.4
141.06981	2.1
142.07777	3.2
143.08556	10.5
144.09329	1.0
145.06384	1.1
145.10129	14.1
147.08055	1.2
147.11685	7.2
149.02336	1.2
149.09645	1.5
149.13202	3.8
151.11180	1.4
152.77295	0.7
153.06990	1.1
153.12741	0.9
155.08536	7.8
156.09341	2.8
157.10126	13.9
158.10826	1.4
159.08044	1.9
159.11705	10.9
161.09634	3.4
161.13231	5.2
163.11174	1.7
163.14841	2.2
165.05574	0.8
165.06926	1.3
165.16406	1.2
167.07211	1.1
167.08566	3.1
168.09354	1.5
169.10120	10.9
170.10901	1.6
171.11684	8.5
171.13004	0.9
173.13240	7.0
175.14824	5.0
177.16388	2.2
179.08563	2.5
179.14349	1.1
180.09352	1.7
181.10114	6.4
181.15894	2.3
182.10855	1.2
183.11665	9.5
184.12315	1.1
185.09558	1.0
185.13261	9.1
186.13815	1.0
187.14807	6.7
189.12799	1.9
189.16393	3.9
193.08580	1.7
193.10165	4.9
193.12227	2.9
194.10826	1.6
195.11688	10.7
196.12444	1.8
197.09612	1.4
197.13249	7.6
199.11278	0.9
199.14833	7.3
201.12799	1.2
201.16344	4.1
205.10071	1.7
206.10899	1.5
207.11668	5.4
207.17340	1.1
208.12431	3.0
209.13260	8.9
210.13939	1.0
211.14848	6.6
213.16391	5.4
215.14281	1.4
215.17999	4.0
217.15852	1.0
219.11761	2.3
220.12518	1.0
221.13177	4.8
222.14017	1.7
223.14790	9.7
224.15382	1.4
225.16341	5.4
227.17995	2.9
229.07452	0.9
229.15877	1.7
229.19597	1.2
232.12511	1.2
233.13190	2.0
234.14133	1.2
235.14799	3.2
236.15651	1.0
237.02972	0.9
237.16348	6.3
239.07001	1.4
239.17885	5.0
241.15906	1.0
241.19571	1.8
245.12910	1.0
247.14882	1.0
249.16447	6.8
250.16792	1.0
251.17870	9.5
253.19498	3.8
255.21124	1.5
259.14844	0.8
261.16327	2.1
263.17957	3.2
265.19464	4.9
267.17441	2.7
267.21201	4.8
269.19040	2.8
275.17926	1.3
277.19543	3.3
279.03741	1.1
279.21072	3.7
281.19077	1.2
281.22549	2.1
283.20691	1.1
289.19595	1.1
291.21155	1.9
293.22598	1.4
295.20737	1.6
303.21036	1.5
305.22711	2.0
309.22025	1.0
317.22598	1.3
319.24435	1.2
325.25308	2.1
327.19485	0.9
333.25696	2.7
335.27441	1.0
337.25143	1.2
345.25394	1.6
347.27606	2.6
349.25339	2.1
349.79742	0.9
361.28864	4.2
363.26901	2.5
376.27698	1.0
377.28378	2.7
391.33734	2.5
393.80740	1.0
401.31931	11.8
419.18121	2.6
419.23843	3.7
419.33075	100.0
420.33307	7.1
433.24203	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	419.3308
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
53.03933	1.0
55.01852	2.1
55.05285	0.7
55.05513	9.3
56.96561	0.6
57.07084	2.5
59.04986	0.6
65.03929	1.6
67.05506	17.0
69.03419	0.9
69.07066	16.2
69.52026	3.9
71.04985	0.9
71.08637	0.8
77.03931	0.5
79.05086	0.7
79.05497	8.0
80.26539	0.5
81.03397	1.2
81.07055	25.5
83.04983	1.2
83.08620	6.5
83.57980	0.5
85.02910	0.9
85.06535	0.9
86.67149	0.5
91.05475	12.2
93.07047	17.3
95.04969	2.7
95.08605	45.9
96.08929	0.8
97.06520	2.2
97.10144	4.2
103.05440	1.2
105.04488	0.6
105.06316	1.1
105.07030	21.8
107.04954	1.3
107.08592	18.4
109.02915	0.6
109.06490	2.0
109.10152	22.0
111.08079	2.0
111.11729	0.8
112.72031	0.5
113.09630	1.6
115.05463	0.8
115.47015	0.5
117.07018	6.7
119.08579	25.3
120.08921	0.7
121.06509	1.1
121.10140	14.6
123.08055	1.3
123.11703	10.7
125.05994	0.7
125.09612	1.7
128.06184	3.5
129.06999	5.8
130.07765	1.2
131.04874	0.6
131.08565	18.0
132.08934	0.7
133.06514	0.7
133.10129	13.0
135.08057	1.3
135.11681	8.3
137.09641	1.2
137.13268	4.7
139.07506	0.6
141.06966	2.5
142.07776	4.5
143.08562	18.0
144.09341	0.9
145.10121	21.2
147.08115	0.8
147.11679	10.3
149.09633	1.3
149.13254	4.9
151.11176	1.0
153.06969	1.2
154.07768	1.6
155.08559	8.3
156.09344	3.7
157.10127	20.5
158.10764	1.1
159.08040	1.2
159.11696	14.2
160.12175	0.9
161.09596	0.8
161.13242	8.6
163.14816	3.4
165.06992	1.3
165.12758	1.1
166.07738	0.7
167.07034	2.2
167.08554	3.4
168.09361	1.9
169.10115	16.0
170.10889	2.6
171.08128	0.6
171.11684	17.3
172.12404	0.9
173.09651	1.3
173.13268	9.9
175.11206	1.5
175.14815	7.7
177.05424	1.2
177.12794	0.9
177.16393	3.5
178.07790	1.3
179.08551	2.0
179.14343	0.8
180.09343	1.6
181.04988	2.6
181.10114	10.4
181.15901	1.2
182.10851	3.0
183.11700	12.4
184.12477	1.4
185.09692	0.7
185.13258	12.7
186.13690	0.8
187.14816	9.9
188.15190	0.7
189.12743	1.4
189.16374	4.8
191.07016	1.2
191.08646	0.7
191.14365	0.8
191.17949	2.3
192.09309	1.9
193.10138	5.3
193.15768	1.1
194.10899	1.6
195.11688	9.6
196.12430	1.7
197.13266	9.1
198.13895	0.8
199.11133	0.5
199.14807	13.3
201.16388	6.8
203.14363	1.0
203.17967	3.0
205.10173	1.3
206.10825	1.2
207.11705	5.9
207.17482	0.6
208.12421	1.3
209.08090	1.8
209.13243	8.1
210.13780	1.1
211.11206	0.7
211.14803	7.5
213.12762	1.0
213.16360	7.0
215.17888	4.0
217.10263	0.8
217.15869	0.8
217.19518	1.3
219.11702	2.6
219.17441	0.8
220.12447	0.9
221.13228	4.5
222.13934	1.5
223.14810	7.6
224.15584	0.8
225.12866	0.7
225.16341	6.2
227.17926	4.1
229.16013	1.2
229.19571	1.4
231.17415	0.6
233.13289	1.9
233.19038	0.7
234.14018	1.1
235.14870	3.6
236.15556	0.9
237.16330	5.7
239.17923	8.0
241.15958	1.2
241.19530	3.7
243.17482	1.2
243.21094	1.4
247.09764	0.8
247.14906	2.4
248.15524	0.8
249.16351	8.1
250.16901	0.8
251.17949	12.3
253.19496	5.5
255.17389	1.4
255.21097	2.0
257.19025	0.9
259.14740	1.0
259.20581	0.7
261.16418	1.6
262.17133	0.7
263.17935	5.0
265.19467	8.4
267.17450	7.2
267.21075	6.3
269.19012	4.8
269.22415	1.3
273.21793	0.5
275.18002	1.6
277.19507	5.5
279.18246	0.6
279.20984	3.1
281.19046	3.3
281.22610	1.8
283.20496	2.7
289.19534	2.2
291.21008	3.7
293.19379	0.8
293.22620	3.2
295.20615	3.9
295.23990	1.0
297.22089	0.7
303.21054	1.7
305.22565	2.4
307.24191	1.4
309.22217	4.4
311.23648	1.4
317.22748	3.8
319.24249	2.9
321.22137	1.3
321.25674	0.6
323.23770	1.2
331.24200	2.2
333.25851	0.7
335.23651	2.5
335.27243	1.2
343.24078	0.7
345.25751	2.9
346.26038	0.9
347.27399	1.1
349.25296	1.0
359.27252	1.4
361.28912	1.5
363.26788	3.1
367.11725	0.6
375.30365	1.0
376.27686	0.6
377.28372	1.9
383.22153	0.6
389.32080	0.7
391.29303	1.0
391.33682	2.2
401.32004	22.1
402.32422	2.4
419.33081	100.0
420.33398	9.4
430.85855	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	421.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89890	1.3
53.03922	1.8
55.01859	3.3
55.05511	8.6
56.96580	3.1
57.03415	3.9
57.07050	3.3
65.03927	1.8
67.05157	2.2
67.05503	28.9
69.03403	4.5
69.07069	12.6
71.04985	2.0
71.08623	2.0
71.49358	2.3
79.05496	16.5
81.03442	7.8
81.07062	21.5
83.04956	4.9
83.08617	7.1
85.02908	2.4
85.06519	1.6
86.09737	1.6
91.04993	1.6
91.05480	18.7
93.07041	14.4
95.04476	1.3
95.04974	14.3
95.08607	15.0
96.01840	4.2
97.02677	5.5
97.06533	10.2
97.10140	3.2
98.97572	1.8
104.67320	1.4
105.07037	13.3
107.04941	9.4
107.08593	10.9
109.06493	4.7
109.10165	16.9
113.02088	5.2
117.06995	6.3
119.04937	1.7
119.08599	9.6
121.06508	6.5
121.10162	8.7
123.04443	2.0
123.08045	2.4
123.11685	2.4
125.05964	5.4
125.09612	4.7
129.06958	4.1
131.08521	6.3
133.06442	2.8
133.10144	6.9
135.04314	2.4
135.08020	3.0
135.11717	3.0
137.06029	6.7
137.06876	1.3
137.09637	1.9
137.13208	1.8
139.03773	2.6
139.07468	1.7
141.73042	1.7
143.08527	3.2
145.06429	1.9
145.10103	6.2
147.08032	2.5
147.11697	6.6
149.05913	2.3
149.09634	2.7
149.13237	1.5
151.03850	1.8
151.07494	1.5
155.08528	2.5
156.03938	16.2
157.10094	4.7
159.11658	5.8
161.06006	2.1
161.09541	3.2
163.03870	1.9
163.11119	3.6
167.07002	1.5
167.08441	2.3
169.04686	14.9
169.10161	2.5
171.11716	2.9
173.11743	3.1
173.13153	3.3
175.11086	3.1
177.12743	2.4
183.06306	3.5
183.11685	2.7
185.13234	2.3
187.11157	2.3
187.14742	2.2
188.02905	2.5
189.09137	3.0
189.16458	2.5
193.12285	3.9
199.11165	2.0
199.14771	2.2
203.10762	1.4
205.12157	1.7
211.11134	1.6
213.08994	2.2
225.11031	10.0
240.13284	2.6
249.14793	1.9
251.17686	1.6
255.11923	4.5
259.09692	3.2
295.15173	34.0
301.21494	1.6
311.20099	4.0
323.14764	8.1
324.15445	100.0
325.15607	3.0
329.21136	18.2
347.21933	2.5
378.85904	1.7
385.23395	2.0
403.25000	9.6
403.33130	3.3
421.12515	3.5
421.21710	73.3
421.34476	6.1
422.22119	4.3
437.49774	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	421.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89890	1.3
53.03922	1.8
55.01859	3.3
55.05511	8.6
56.96580	3.1
57.03415	3.9
57.07050	3.3
65.03927	1.8
67.05157	2.2
67.05503	28.9
69.03403	4.5
69.07069	12.6
71.04985	2.0
71.08623	2.0
71.49358	2.3
79.05496	16.5
81.03442	7.8
81.07062	21.5
83.04956	4.9
83.08617	7.1
85.02908	2.4
85.06519	1.6
86.09737	1.6
91.04993	1.6
91.05480	18.7
93.07041	14.4
95.04476	1.3
95.04974	14.3
95.08607	15.0
96.01840	4.2
97.02677	5.5
97.06533	10.2
97.10140	3.2
98.97572	1.8
104.67320	1.4
105.07037	13.3
107.04941	9.4
107.08593	10.9
109.06493	4.7
109.10165	16.9
113.02088	5.2
117.06995	6.3
119.04937	1.7
119.08599	9.6
121.06508	6.5
121.10162	8.7
123.04443	2.0
123.08045	2.4
123.11685	2.4
125.05964	5.4
125.09612	4.7
129.06958	4.1
131.08521	6.3
133.06442	2.8
133.10144	6.9
135.04314	2.4
135.08020	3.0
135.11717	3.0
137.06029	6.7
137.06876	1.3
137.09637	1.9
137.13208	1.8
139.03773	2.6
139.07468	1.7
141.73042	1.7
143.08527	3.2
145.06429	1.9
145.10103	6.2
147.08032	2.5
147.11697	6.6
149.05913	2.3
149.09634	2.7
149.13237	1.5
151.03850	1.8
151.07494	1.5
155.08528	2.5
156.03938	16.2
157.10094	4.7
159.11658	5.8
161.06006	2.1
161.09541	3.2
163.03870	1.9
163.11119	3.6
167.07002	1.5
167.08441	2.3
169.04686	14.9
169.10161	2.5
171.11716	2.9
173.11743	3.1
173.13153	3.3
175.11086	3.1
177.12743	2.4
183.06306	3.5
183.11685	2.7
185.13234	2.3
187.11157	2.3
187.14742	2.2
188.02905	2.5
189.09137	3.0
189.16458	2.5
193.12285	3.9
199.11165	2.0
199.14771	2.2
203.10762	1.4
205.12157	1.7
211.11134	1.6
213.08994	2.2
225.11031	10.0
240.13284	2.6
249.14793	1.9
251.17686	1.6
255.11923	4.5
259.09692	3.2
295.15173	34.0
301.21494	1.6
311.20099	4.0
323.14764	8.1
324.15445	100.0
325.15607	3.0
329.21136	18.2
347.21933	2.5
378.85904	1.7
385.23395	2.0
403.25000	9.6
403.33130	3.3
421.12515	3.5
421.21710	73.3
421.34476	6.1
422.22119	4.3
437.49774	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	421.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.5
53.65339	1.6
55.01869	9.1
55.05506	31.4
56.96554	6.7
57.03434	12.4
57.07063	7.8
59.04992	2.2
61.02901	4.4
62.69953	1.8
62.93865	1.6
65.03920	5.6
67.05503	100.0
69.03419	10.6
69.07066	24.8
71.04984	5.9
71.49842	3.0
73.02908	3.0
75.20660	1.8
79.05493	51.5
81.03420	28.5
81.07053	52.4
83.04971	15.0
83.08619	24.1
85.02900	8.8
85.06532	5.9
85.71454	1.7
86.09701	2.2
91.05481	65.9
93.06562	1.4
93.07038	44.9
95.04964	63.5
95.08602	39.6
97.02876	6.4
97.06523	16.1
97.10166	15.6
98.97584	6.4
99.08080	2.8
103.05515	2.6
105.07028	37.6
107.04950	27.9
107.08587	28.1
109.02884	3.3
109.06513	10.7
109.10157	61.1
111.04408	2.8
111.08069	7.3
115.05495	2.0
116.98612	3.3
117.07025	16.4
119.04957	3.9
119.08583	33.7
121.02872	2.8
121.06504	24.2
121.10140	19.2
123.04478	3.1
123.08067	10.4
123.11697	4.8
125.09618	9.1
127.03851	2.3
128.06195	3.4
129.06990	18.5
131.04872	4.5
131.08554	25.2
133.06502	5.9
133.10120	22.7
135.04436	2.9
135.08032	7.9
135.11711	9.2
137.06018	2.6
137.09589	9.0
137.13220	2.5
139.11176	4.1
141.06985	7.0
142.07739	3.8
143.08583	13.9
145.06441	4.2
145.10130	18.0
146.99646	2.0
147.08052	9.4
147.11661	16.0
149.09599	7.4
149.13257	4.8
153.09026	3.3
155.08549	8.2
155.10645	2.7
157.06493	4.3
157.10126	17.9
158.99664	2.0
159.08008	2.6
159.11702	16.7
161.05994	2.8
161.09628	7.6
161.13213	5.4
163.11136	11.5
163.14867	2.4
165.05458	6.7
166.05798	2.0
167.08582	3.3
169.10121	9.2
171.08092	2.7
171.11656	10.7
171.26604	2.1
173.05836	2.4
173.09618	2.6
173.11737	12.1
173.13232	5.6
175.11205	12.1
175.14803	2.3
177.12782	4.6
181.10109	2.4
183.11716	5.0
185.09613	4.8
185.13225	8.8
187.11185	4.6
187.14909	2.4
189.00714	2.5
189.09108	6.5
189.11197	7.4
191.03853	6.4
191.10626	2.5
191.14243	2.7
193.12230	17.7
195.11670	6.0
197.13338	4.9
199.11191	2.4
199.14743	2.2
200.04465	7.6
201.09419	2.0
201.12715	4.7
201.16417	3.8
203.10703	7.8
203.12630	4.7
203.18030	2.3
205.12221	2.7
209.13246	3.6
211.14842	2.8
213.12772	2.7
213.16504	2.8
219.01736	3.9
223.13109	3.4
223.15022	3.2
225.16418	2.7
231.13785	3.4
237.02800	8.7
239.17870	3.8
241.19485	2.6
249.14836	5.4
259.12924	2.3
267.21097	4.0
269.12653	3.3
279.03870	7.8
281.22659	1.9
292.33740	2.1
301.21646	3.9
302.06564	8.1
303.05951	6.2
309.14026	2.4
311.20212	16.9
321.04865	4.8
329.21094	69.0
330.21384	2.1
340.15112	9.1
340.65530	3.6
347.22418	11.8
367.22681	3.9
369.19141	2.1
373.38187	2.2
377.23407	2.1
379.29724	3.2
380.70871	1.9
385.23688	4.7
403.19733	2.4
403.24820	48.3
403.33145	4.6
421.21820	14.1
421.26337	74.5
421.34637	28.5
422.25992	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	421.2586
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03939	6.4
54.50293	2.2
55.01870	10.7
55.05515	40.1
56.96571	3.3
57.03450	6.8
57.07065	2.7
60.21830	2.6
65.03951	2.5
67.05186	4.1
67.05508	31.7
69.03430	5.6
69.07080	18.9
70.11722	10.2
71.04977	4.7
75.41981	2.7
79.05496	50.6
81.03416	9.5
81.07061	39.8
83.04987	10.6
83.08630	22.7
84.08139	4.2
85.02898	4.7
85.06522	4.0
91.05471	16.7
93.07036	21.8
95.04990	16.8
95.08604	23.0
97.06541	32.3
97.10180	31.9
98.97575	3.4
105.07028	18.0
107.04956	61.9
107.08588	28.5
109.06513	12.6
109.10131	13.7
111.04443	3.4
111.08041	2.8
117.07042	10.3
119.04928	3.0
119.08585	15.4
121.06521	22.8
121.10128	10.2
123.04453	4.3
123.08064	8.2
123.11727	5.2
125.09619	24.8
129.07010	7.9
131.04953	6.9
131.08571	13.8
133.06502	7.4
133.10149	7.9
135.08060	8.8
135.11694	6.9
137.05995	10.3
141.06973	6.7
143.08589	9.1
145.06520	15.9
145.10117	11.0
147.04453	7.4
147.08072	9.4
147.11713	7.6
148.07646	3.9
149.09660	4.6
151.07501	5.9
153.09123	10.7
155.08519	3.6
157.06476	5.3
157.10146	7.1
159.08064	5.8
159.11694	6.9
161.09663	8.1
163.03929	9.1
163.11205	3.5
165.12625	3.3
167.07053	5.9
167.08488	4.0
169.06425	2.6
169.10085	6.2
171.08044	4.7
171.11647	7.1
173.09714	6.1
175.11208	6.8
177.05309	3.0
181.04987	3.4
181.10117	4.3
185.09654	2.9
186.14557	2.7
187.11148	4.3
189.11253	13.3
189.12773	6.2
193.12253	8.6
195.11795	3.5
197.13268	4.4
199.11217	6.9
205.12189	7.9
211.13246	4.5
215.07031	5.1
215.10721	2.6
215.14372	5.2
223.11224	3.8
223.13228	4.7
225.12701	4.4
227.14305	3.7
227.21602	2.9
231.13672	2.7
233.15366	11.3
235.13297	15.2
237.12720	4.8
241.14424	10.0
245.15312	2.7
255.13760	4.8
259.09668	14.1
259.13397	3.0
265.08328	2.8
273.14902	15.7
280.11841	5.8
291.16016	7.5
298.12784	4.9
313.15225	2.9
329.21045	5.8
339.23331	7.4
349.21530	18.4
357.24173	3.6
367.22711	58.7
368.23059	3.7
385.23749	100.0
386.24103	5.5
403.24738	36.7
404.25034	3.4
421.12897	6.8
421.18741	9.6
421.24954	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	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.20133	0.7
55.01872	4.5
55.05510	11.4
56.96563	1.3
57.03436	10.4
57.07074	36.8
61.05849	0.9
65.03929	1.0
67.05505	18.9
69.03423	1.4
69.07069	14.0
71.04986	1.7
71.08648	1.0
78.83772	0.8
79.05489	12.7
81.03445	1.8
81.07055	29.3
83.04973	5.6
83.08609	6.3
85.06539	15.8
91.05485	11.1
93.07040	16.0
95.04947	4.6
95.08611	21.7
97.06530	5.1
97.10168	2.3
99.08135	1.2
104.18591	1.0
104.99265	1.9
105.07022	10.8
107.04955	1.1
107.08580	18.5
109.06508	17.0
109.10146	13.4
111.04456	4.0
111.08091	3.1
117.07012	2.5
119.08576	15.0
121.06521	3.2
121.10139	11.2
121.10950	1.0
121.14668	0.7
122.07201	0.9
123.08082	10.5
123.11725	3.6
125.06039	2.9
125.09622	1.0
129.06993	2.0
131.08536	5.3
133.10107	7.5
134.17096	0.9
134.99680	1.0
135.08040	15.6
135.11696	7.1
137.05974	22.5
137.06976	1.4
137.09662	2.9
137.13232	1.9
139.07567	2.1
139.11258	0.9
142.07805	1.1
143.08578	2.1
145.10101	5.8
147.04485	1.0
147.08046	1.7
147.11656	5.7
148.36290	0.9
149.09586	4.3
149.13254	3.9
151.07545	5.7
151.11221	3.5
152.08377	0.8
153.12798	2.0
156.27826	0.9
157.10153	3.2
159.11693	5.6
161.09644	2.5
161.13304	3.4
163.11217	2.3
163.14853	1.6
165.09171	1.9
165.12726	7.8
169.10129	0.9
171.11739	3.8
173.11877	1.7
173.13341	3.4
175.11232	2.9
175.14781	2.2
177.09102	1.5
177.12758	5.8
177.16393	0.8
179.10632	1.4
179.14267	4.0
183.11768	2.1
185.13344	1.5
187.14774	2.0
189.12733	1.7
189.16371	1.1
191.06987	1.1
191.14362	3.0
191.18015	0.9
193.12294	3.3
195.11838	1.3
195.13875	1.3
197.13261	1.1
199.14871	1.2
201.12755	0.9
201.16397	1.4
203.10614	0.9
203.14354	1.0
207.13766	10.1
209.13300	1.0
213.16452	1.0
215.18134	1.5
223.14977	1.6
227.17999	1.3
229.07492	0.9
231.17494	1.5
233.19072	2.9
241.19543	1.5
249.18607	1.0
251.17978	1.2
263.20035	5.2
267.21140	0.9
291.19617	1.8
292.98807	0.9
301.25354	1.6
305.24869	2.0
319.26321	12.0
329.21173	2.9
329.24866	3.7
337.27292	6.8
338.96896	1.8
347.25800	100.0
348.26163	2.4
365.26849	18.9
393.29987	12.9
393.34781	1.0
403.28455	2.9
403.33618	2.3
421.20071	7.2
421.29654	53.2
421.34760	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	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.0
55.01790	2.8
55.05424	8.3
55.05719	1.8
57.03349	8.9
57.03669	1.7
57.06986	30.3
57.07302	6.3
65.03864	0.6
67.05407	12.5
67.05793	1.8
69.03356	0.7
69.06969	11.1
69.07375	1.8
69.45108	4.9
71.04896	1.7
71.08565	1.1
79.05391	9.8
79.05887	0.8
81.06949	23.3
81.07469	2.3
83.04879	3.1
83.08511	5.0
85.06436	14.4
85.06985	1.4
91.05373	8.7
93.06932	14.2
93.07570	1.1
95.04867	2.6
95.08491	16.4
95.09149	1.2
97.06416	3.9
97.10069	2.0
99.08018	0.8
100.84553	0.6
105.07023	9.3
107.04868	0.8
107.08585	14.8
109.06518	14.7
109.07196	0.7
109.10159	8.1
111.04327	2.6
111.08085	3.6
111.11585	0.7
117.06902	1.8
119.08578	9.1
121.06439	1.5
121.10137	9.7
123.08064	11.2
123.11726	3.3
124.08308	0.7
125.05860	2.5
125.09534	1.1
129.06908	1.3
131.08565	3.7
133.10129	6.8
135.08049	15.3
135.11705	6.2
137.05978	23.4
137.09518	1.9
137.13162	1.3
138.06641	0.8
139.07527	3.2
143.08443	2.5
145.10121	4.6
147.07977	1.4
147.11711	5.6
148.08771	0.6
149.09578	2.7
149.13260	3.3
151.07545	5.7
151.11217	3.7
151.14761	0.7
153.12611	2.0
155.08432	1.3
157.10104	3.2
159.11674	3.7
161.09625	2.9
161.13255	3.2
163.11171	3.0
163.14667	1.8
165.09018	1.5
165.12737	8.3
165.49728	0.6
167.14276	0.8
169.10059	1.1
171.11568	2.3
173.13153	1.9
175.11191	2.9
175.14661	1.9
177.09062	0.9
177.12743	5.5
177.16263	0.8
179.10612	1.3
179.14301	4.6
181.12144	1.4
183.11588	1.6
185.13191	1.3
187.14763	0.9
189.12759	1.0
189.16418	1.1
191.14267	2.9
193.12129	2.5
194.12926	0.8
195.11620	1.1
195.13617	1.3
197.13153	1.2
199.14799	1.1
201.16304	1.1
203.14275	0.7
203.17917	0.9
205.12025	0.6
207.13803	9.2
211.14848	0.7
215.17859	1.2
217.15836	0.6
217.19109	0.7
219.13727	2.6
227.17897	0.7
231.17384	1.2
233.18925	3.3
245.18936	0.7
249.18459	1.4
259.20554	0.7
261.18582	1.0
263.20108	5.3
267.20981	0.7
273.21976	0.7
277.17850	2.1
277.21509	1.0
291.19513	1.8
301.25095	1.5
305.24628	1.4
319.22592	0.9
319.26312	13.3
329.24716	4.5
335.21933	0.6
337.27380	5.5
338.96732	1.1
347.25800	100.0
348.26062	1.9
365.26886	18.9
393.29977	12.0
403.28458	3.0
403.33716	1.7
421.29535	52.9
421.34613	5.9
422.29620	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	421.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01619	1.5
50.73184	1.7
53.03928	2.2
55.01863	7.7
55.05510	22.1
56.96562	2.0
57.03429	13.8
57.07067	19.6
58.15929	1.8
67.05140	2.5
67.05499	36.2
69.03416	1.6
69.07063	29.4
71.04987	3.9
71.08630	2.4
79.05488	24.7
81.07050	43.7
83.04980	6.4
83.08617	12.0
85.06535	12.4
91.05476	19.7
93.06497	2.9
93.07038	36.2
95.04980	9.7
95.08600	41.9
97.06533	11.3
97.10146	5.2
99.08102	2.5
99.94292	1.9
105.07030	26.0
107.08585	43.8
109.06508	18.6
109.10156	25.2
111.04446	4.3
111.08077	7.0
111.11747	2.4
111.40024	1.9
117.06976	4.0
119.08570	26.1
121.06506	2.7
121.10129	22.0
123.08067	15.1
123.11694	13.0
125.05965	4.6
125.09608	3.1
129.07016	5.9
131.08548	13.4
133.10097	15.4
135.07013	3.6
135.08043	59.8
135.11676	21.7
137.05977	16.4
137.09555	2.0
137.13231	6.7
139.07536	3.0
143.08527	6.9
144.09340	2.3
145.10126	15.5
147.08014	3.1
147.11674	13.7
149.09607	7.5
149.12213	1.6
149.13245	9.0
151.07530	6.6
151.11163	2.8
151.14862	1.8
153.12697	6.1
155.08513	2.7
156.09221	1.7
157.10130	7.9
159.11713	12.1
161.09612	7.1
161.13254	7.1
163.11157	5.4
163.14781	4.0
165.09145	2.1
165.12753	8.2
169.10143	7.0
171.11682	8.6
173.13269	5.4
175.11115	3.2
175.14784	7.0
177.12758	19.5
179.14314	6.9
181.10161	2.6
181.12216	5.9
183.11674	5.4
185.13239	6.2
187.14807	5.1
189.12744	2.5
189.16376	5.3
191.14299	4.8
191.17859	2.4
195.11761	2.4
197.13226	7.2
199.14816	5.7
201.16359	6.9
203.14331	3.3
203.17960	4.6
205.15884	3.8
207.13757	2.3
209.13312	3.2
211.14851	4.7
213.16422	4.0
215.17876	2.1
221.18936	3.2
223.14749	2.5
225.16371	4.0
227.17946	4.7
235.20470	3.6
239.17960	2.9
241.19473	5.5
251.17906	5.2
253.19431	8.7
254.33049	1.9
255.20967	2.4
263.20132	5.8
265.19516	2.9
267.21017	4.0
281.22672	4.0
287.23569	1.9
295.24033	1.8
301.25165	3.7
305.24753	53.4
305.28256	2.6
319.26373	21.7
329.24728	14.3
347.25778	100.0
348.26065	4.1
365.26752	11.4
393.30020	9.3
403.28680	3.9
403.33609	11.6
421.19839	3.6
421.29340	97.3
421.34650	54.1
422.29782	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	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01873	7.1
55.05513	17.5
55.94260	1.2
57.03436	11.5
57.07072	12.6
64.62873	1.3
67.05507	27.9
69.07072	32.2
69.30598	4.3
69.31020	8.5
71.04984	3.0
71.08620	3.2
79.05496	23.3
81.07059	45.5
83.04987	5.3
83.08627	11.9
85.06535	7.1
91.05483	12.6
93.07043	34.1
95.04964	6.7
95.08609	42.5
97.06543	13.2
97.10184	4.2
98.20752	1.5
99.08084	1.8
100.94709	1.2
102.09098	1.4
105.07025	20.9
105.10368	1.3
107.08593	37.6
109.06522	18.1
109.10162	17.3
111.04424	7.6
111.08064	7.1
115.05422	1.8
117.07039	5.0
119.08583	20.2
121.06461	2.2
121.10138	17.0
122.07241	1.4
123.08060	13.2
123.11710	10.1
125.05999	6.6
129.06985	2.5
130.31898	1.4
131.08585	12.4
133.10139	14.2
135.08052	22.5
135.11707	23.2
137.05978	19.9
137.09642	2.7
137.13219	6.5
141.07005	1.8
142.07703	1.5
143.08589	7.8
144.09306	1.3
145.10123	17.2
147.11694	11.3
149.09607	4.4
149.13295	6.6
151.07553	5.7
151.11249	3.0
153.12772	5.8
155.08646	2.6
157.10147	11.1
159.11685	14.3
161.09656	4.9
161.13206	8.0
163.11197	4.2
163.14835	3.4
165.12775	6.1
167.14389	2.1
169.10178	4.8
171.11705	5.2
173.13287	6.6
175.11140	2.5
175.14857	5.4
177.12761	9.3
177.16383	3.0
179.10669	2.1
179.14313	5.8
181.10109	1.5
181.12256	8.5
183.11720	4.7
184.12405	1.5
185.13316	5.6
187.14902	7.6
189.16388	7.7
191.17889	1.4
193.12294	2.2
195.11665	3.9
195.13618	1.3
197.13213	6.3
199.14883	3.4
201.16370	7.2
203.17931	2.2
207.13844	2.1
209.13206	3.3
211.14813	3.6
213.16396	3.6
215.18015	5.8
221.19067	4.9
223.14896	1.9
225.16425	4.7
227.17978	4.2
229.19542	1.8
235.20622	4.5
238.31056	1.5
239.17905	2.2
241.19528	4.1
249.18515	2.0
251.17963	2.8
253.19493	3.0
263.20169	3.7
265.19684	1.7
267.21091	10.8
269.19339	1.4
269.22739	2.9
271.20569	3.1
279.20865	2.0
281.22638	4.2
283.20529	1.6
285.22223	2.0
287.23819	2.3
291.19556	3.4
301.25113	1.6
303.26917	2.1
305.21484	3.0
305.24738	85.7
306.24951	1.9
311.23639	1.6
319.26382	28.8
329.24820	6.3
337.27429	2.0
347.25806	100.0
348.26111	2.1
365.26849	11.1
379.29858	5.2
393.29935	7.1
394.07693	1.4
403.28525	3.8
403.33673	14.0
421.20078	3.2
421.29407	43.3
421.34695	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	421.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01868	3.5
55.05514	19.9
55.25464	1.5
56.96568	3.0
57.03440	4.0
57.07080	9.3
57.90660	1.5
65.03930	2.7
67.05509	38.7
69.03429	3.7
69.07071	26.6
70.06568	2.5
70.37695	4.6
71.04994	2.8
71.08631	3.1
71.25265	1.5
76.65401	1.6
79.05486	21.2
79.57246	1.7
81.03410	5.0
81.07055	32.0
82.07366	2.0
83.04974	7.7
83.08621	24.4
85.02905	3.3
85.06554	3.4
88.07618	3.3
90.80570	1.7
91.05479	21.6
93.07043	25.4
95.04983	14.4
95.08611	42.8
96.15462	1.8
97.06523	5.1
97.10172	6.3
97.61311	1.8
99.08060	2.1
104.99279	4.0
105.07039	23.5
107.04976	4.1
107.08599	28.3
109.06528	3.8
109.10162	39.4
111.08082	3.7
113.05975	2.0
115.05482	3.5
117.07034	5.9
119.08583	28.0
121.06511	6.0
121.10140	22.9
123.08068	3.5
123.11722	13.8
125.09655	3.1
127.03946	1.8
128.06265	1.7
129.07013	7.1
130.07742	2.2
131.08565	17.4
133.06535	3.3
133.10127	17.1
135.08051	8.0
135.11719	10.6
137.05983	2.4
137.09596	4.5
137.13254	12.7
139.11227	2.7
141.07005	4.2
142.07829	2.8
143.08536	11.8
144.09377	2.4
145.06461	1.9
145.10112	23.9
146.10533	1.6
147.08134	2.3
147.11702	13.7
149.02335	14.8
149.09662	2.3
149.13257	6.8
151.14847	3.0
155.08568	7.2
156.09294	3.9
157.10149	20.1
158.10825	2.0
159.11684	16.9
161.09659	4.2
161.13266	6.7
163.11140	3.7
163.14824	4.9
167.08577	3.9
169.10110	9.8
170.10907	2.3
171.11667	12.6
172.12329	1.6
173.09650	3.9
173.11722	4.4
173.13281	8.4
175.11217	6.6
175.14868	5.2
177.16449	2.4
181.10162	4.7
182.10844	3.2
183.11696	13.5
185.09610	3.3
185.13235	9.1
187.11227	2.8
187.14841	7.3
189.09192	2.6
189.12695	2.3
189.16321	5.6
191.18002	2.4
193.05008	17.6
193.12297	3.1
195.11740	8.8
196.12424	1.7
197.13249	9.0
199.14867	6.3
199.98721	2.0
201.12733	2.2
201.16418	6.9
203.14412	2.3
203.18024	3.4
204.09157	1.8
208.12573	1.8
209.13272	7.8
210.13919	2.6
211.14850	8.3
213.12898	2.4
213.16373	7.2
215.17981	5.4
219.13860	6.5
219.17278	1.8
221.13217	2.7
223.14822	5.7
225.16386	7.2
227.14368	3.4
227.17911	5.5
229.07399	4.1
229.19579	2.0
231.17503	2.2
235.14932	3.5
237.16301	2.9
239.17955	5.3
241.15901	2.8
241.19510	3.2
251.18030	7.5
253.19537	5.2
255.17278	2.0
256.26355	6.5
257.19037	2.0
265.19525	4.6
267.21164	7.3
269.18991	6.5
269.22256	2.4
271.20529	4.9
279.21024	3.6
281.22650	3.6
283.20639	4.6
285.22153	3.1
295.20566	2.3
299.23868	1.9
307.24261	2.3
309.22180	2.9
309.25653	4.1
311.23563	2.4
319.23962	3.3
321.25543	1.8
323.23590	2.0
325.25165	1.9
329.21072	9.7
329.24698	3.0
335.27194	3.6
338.96802	4.5
347.26422	2.3
351.26529	3.5
385.23822	2.4
393.31436	2.7
403.25082	8.6
403.33563	20.9
421.20270	3.7
421.25351	11.5
421.30099	6.2
421.34650	100.0
422.28998	23.7
422.34848	4.6
427.26120	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	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01858	1.8
55.05513	13.8
56.96535	1.5
57.03433	3.6
57.07077	16.2
67.05502	18.6
69.07066	22.0
71.04988	1.7
71.08625	3.6
71.11242	2.6
73.29581	1.1
79.05486	14.3
81.07052	35.2
82.07387	1.7
83.04981	3.5
83.08620	12.7
85.06540	5.7
91.05481	14.0
93.07045	19.9
95.04972	4.3
95.08607	38.6
96.08996	1.3
97.06539	4.4
97.10168	5.0
99.08112	1.5
99.98055	1.2
105.07024	19.6
105.43498	1.2
107.04975	2.4
107.08587	39.3
109.06509	6.4
109.10151	26.2
111.08072	3.5
111.11713	2.9
115.05453	2.5
117.07011	4.2
119.08572	25.6
121.06507	3.5
121.10139	30.0
123.08079	6.8
123.11701	14.8
125.09662	1.4
128.06224	3.0
129.06987	5.3
131.08560	18.6
133.10136	19.6
135.08052	26.6
135.11702	16.1
137.05963	7.1
137.09572	1.6
137.13252	27.2
139.11203	1.7
141.06982	1.7
142.07765	4.0
143.08553	14.0
144.06380	1.2
144.09395	2.2
145.10130	26.0
147.11684	10.9
149.09616	3.2
149.13246	11.8
151.07492	2.4
151.14815	2.1
153.06958	1.5
153.24454	1.2
155.08514	10.1
156.09418	3.2
157.10112	25.9
158.10910	2.9
159.11696	21.7
161.09627	2.6
161.13237	9.1
163.11191	1.6
163.14769	11.6
165.12741	1.9
168.09355	2.1
169.10124	17.6
170.10873	4.0
171.11684	17.1
173.13223	12.2
175.11150	2.3
175.14847	5.7
177.12755	6.6
177.16376	5.4
180.09354	1.8
181.10143	3.5
182.10918	3.5
183.11678	22.6
185.13268	15.7
186.13962	1.5
187.14824	10.0
189.12708	2.1
189.16376	5.0
191.14310	2.7
191.18025	3.1
195.11682	9.0
196.12473	3.4
197.13277	17.5
198.13869	1.7
199.14787	9.0
201.16441	10.1
203.17950	3.5
207.11700	2.6
207.13824	2.1
209.13252	11.6
210.14049	1.5
211.14795	11.8
212.15552	1.4
213.16289	6.1
215.17964	5.8
217.15868	1.4
219.13774	8.2
221.13306	3.6
223.14821	6.5
224.15575	2.7
225.16336	10.4
227.17924	4.8
229.19527	3.6
231.17247	1.9
233.18961	1.6
235.14836	3.3
237.16335	4.5
238.17159	1.3
239.17926	8.5
241.19516	3.3
243.21124	2.3
249.16435	1.5
251.17950	17.6
252.18796	1.7
253.19543	13.7
255.21019	3.1
257.18991	4.3
259.20627	2.4
263.20135	3.1
265.19482	7.5
267.21078	15.0
269.19055	3.8
271.20557	24.3
277.19495	2.7
279.21161	2.4
281.22537	6.2
283.20566	6.6
283.23907	1.5
285.22052	5.9
291.20901	1.8
293.22635	4.5
295.24115	2.1
297.22510	2.2
299.23877	1.6
305.22235	1.7
307.24246	6.3
309.22458	2.4
309.25681	4.3
311.23599	3.2
319.23746	2.8
319.26782	2.6
329.21115	2.0
329.24777	3.4
333.25842	8.0
335.27185	3.3
337.25122	2.4
345.25552	2.0
347.25763	24.5
348.26340	2.0
360.28146	1.9
361.28873	5.0
365.27130	4.2
379.29776	3.0
393.29993	4.0
403.25006	2.8
403.33554	42.2
406.32419	2.0
421.20642	8.2
421.29407	36.3
421.34647	100.0
422.29803	2.5
422.34949	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	421.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.05511	3.0
57.07060	2.0
67.05497	3.6
69.07059	5.5
69.24394	0.9
70.07829	0.9
70.64329	2.9
71.08641	1.1
79.05490	2.6
81.07053	9.5
83.08619	3.2
91.05470	4.3
93.07034	10.8
95.08610	13.9
98.20673	1.1
105.07030	11.1
107.08584	14.1
109.10151	9.8
111.08053	1.4
117.07013	2.2
119.08590	16.4
121.10148	11.1
123.11702	4.1
129.06874	0.9
131.08557	6.4
133.10133	11.4
135.11696	7.6
137.13239	7.5
142.07755	2.3
143.08557	4.7
145.10106	11.0
147.11661	7.7
149.13240	3.6
155.08502	4.9
156.09372	1.6
157.10107	9.9
159.11681	11.9
161.13264	4.4
163.14854	2.1
167.08691	1.5
169.10083	6.4
170.10909	2.4
171.11665	8.4
173.13231	6.0
175.14839	4.6
177.16432	4.2
181.10139	1.6
182.10913	1.4
183.11687	9.3
185.13246	6.6
187.14859	4.6
189.16389	7.7
195.11690	4.3
197.13232	9.4
199.14854	4.8
201.16399	8.2
203.18060	1.4
209.13268	4.6
210.13872	1.2
211.14839	6.3
212.15378	1.4
213.16315	5.7
215.17921	5.1
223.14842	3.4
224.15617	2.1
225.16295	7.6
227.17949	10.7
229.19609	2.2
233.18860	1.1
237.16348	3.3
238.17245	1.4
239.17911	5.6
241.19507	7.2
249.16466	1.5
251.17865	1.4
252.18704	1.3
253.19585	4.3
255.21117	2.5
265.19525	2.1
267.21082	22.7
269.22665	1.9
271.20529	5.5
281.22562	7.3
291.21240	0.9
307.23975	1.3
333.25769	1.2
335.27368	1.4
378.29218	1.6
379.29977	14.7
403.33643	9.7
421.34631	100.0
422.34985	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	421.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05513	7.4
57.07079	5.7
67.05513	5.7
67.05805	0.9
69.07068	12.9
69.92859	3.5
79.05488	4.8
81.07047	14.3
83.08612	12.7
87.72546	1.0
91.05446	5.4
93.07047	11.3
94.02240	0.9
95.08609	21.8
97.10186	2.3
98.21558	1.4
105.07024	14.0
107.08587	19.4
109.10170	14.4
111.08073	2.3
111.11705	1.8
117.06981	2.4
119.08578	18.9
121.10154	16.0
121.15441	1.0
123.11705	11.3
125.13360	1.3
128.06210	1.8
129.07047	1.8
131.08562	11.1
133.10129	13.1
135.11697	11.5
137.13260	12.3
141.06960	1.3
142.07788	3.4
143.08571	7.7
145.10094	15.6
146.10698	0.9
147.11705	10.1
149.13240	5.1
151.14809	2.3
153.12720	1.3
155.08553	6.4
156.09306	2.6
157.10143	14.4
158.10814	1.1
159.11710	13.1
161.13251	7.1
163.14825	5.1
165.16418	1.3
168.09392	1.4
169.10149	9.7
170.10896	1.3
171.11690	10.9
172.12463	1.3
173.13242	7.6
175.14836	7.2
177.16426	4.8
179.14330	1.5
181.10133	3.2
182.10968	1.4
183.11720	9.1
184.12410	1.2
185.13292	6.5
186.14037	1.5
187.14781	5.6
189.16393	4.7
191.17938	2.6
195.11746	4.9
196.12392	2.4
197.13228	10.1
198.14041	1.2
199.14799	5.5
200.15733	1.3
201.16333	7.2
203.17995	4.1
207.11700	3.5
209.13184	4.7
210.14091	1.7
211.14827	8.7
213.16415	4.5
215.17969	4.5
221.13255	1.5
223.14832	3.6
224.15567	1.6
225.16394	8.9
227.18025	7.0
229.19530	3.2
233.19125	1.3
237.16393	4.0
239.17943	6.1
241.19592	3.8
243.17435	1.8
243.21123	2.1
249.16379	1.7
251.17978	6.1
253.19543	6.5
255.21147	1.9
257.18927	2.2
263.17960	1.8
265.19534	4.1
267.21054	12.2
269.19067	3.6
269.22598	2.2
271.20541	4.5
277.19693	1.3
279.21063	2.9
281.22574	6.5
283.20621	2.8
285.22153	1.7
291.20889	1.2
293.22610	1.3
297.22031	1.5
305.22485	1.8
307.24164	2.4
309.09296	1.1
309.22235	1.9
309.25870	2.8
311.23776	2.3
319.24222	2.9
321.25800	1.6
323.23901	1.4
325.25278	2.1
333.25818	3.0
335.27472	2.1
337.25238	4.2
345.25803	1.3
347.27344	1.7
351.26819	3.2
356.12012	1.3
363.26797	2.8
365.28433	1.7
378.29184	2.1
379.29962	6.5
403.33688	17.6
413.70465	1.0
414.85400	1.2
421.34647	100.0
422.35062	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	421.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.05515	12.4
56.65833	1.2
57.07062	6.0
59.04995	2.5
59.82931	1.4
60.78474	1.5
61.94732	1.1
64.69515	1.3
64.77987	1.3
65.29543	1.3
67.05507	17.4
69.03403	1.8
69.07070	16.6
69.64013	1.5
70.75940	3.8
71.29433	1.2
79.05499	11.1
80.42922	1.3
81.06607	2.6
81.07056	37.6
83.04507	2.6
83.04984	42.4
83.08632	7.8
88.87022	1.1
89.06016	1.6
91.05479	14.7
93.07047	27.5
95.04964	4.1
95.08608	55.0
97.06533	1.6
97.10152	4.3
105.07030	23.1
107.04967	1.5
107.08592	30.8
109.06528	3.2
109.10153	27.8
110.10489	1.5
111.08070	2.5
117.07027	4.5
119.08582	20.9
121.06504	2.2
121.10138	24.7
123.08066	4.4
123.11700	12.3
128.06210	1.3
129.06973	3.2
131.08565	12.8
133.08585	1.7
133.10123	20.6
135.08086	6.9
135.11697	16.9
135.12631	2.1
137.09648	2.6
137.13252	11.7
141.07034	1.7
142.07793	1.7
143.08582	6.5
145.10115	13.5
147.11702	12.4
149.09631	11.6
149.13254	11.0
151.14841	2.9
152.44843	1.5
155.08519	3.5
156.09291	1.7
157.10146	9.5
158.10939	1.4
159.08020	2.7
159.11705	15.1
161.09630	5.8
161.13252	7.8
163.11195	2.9
163.14827	4.6
163.67274	1.4
169.10139	5.4
170.10938	1.2
171.11690	10.8
173.09631	2.3
173.13219	7.7
175.11194	5.6
175.14850	4.6
177.12729	1.7
177.16383	3.0
183.11722	4.2
185.13243	8.1
187.11186	1.7
187.14838	6.0
189.12784	3.0
189.16359	9.2
191.17969	23.1
194.84610	1.2
195.11710	3.3
195.71776	1.3
197.13361	3.7
199.14868	6.1
201.12750	3.9
201.16437	6.5
203.17958	5.4
205.19415	1.5
209.13177	2.3
211.14899	2.8
213.12755	6.1
213.16379	5.1
215.14352	6.8
215.17894	3.3
217.16075	2.7
217.19553	4.3
225.16414	4.0
227.14325	2.0
227.18039	3.1
229.15865	4.0
229.19452	1.8
231.17509	4.9
237.16431	1.7
239.18018	3.7
241.19473	2.6
243.17336	2.3
243.20999	3.3
251.17876	2.6
255.21118	3.2
257.19171	3.1
257.22601	1.3
265.19580	1.9
269.19003	16.8
271.20541	3.1
283.20581	3.4
285.22211	2.5
297.25781	2.7
323.27231	4.2
328.46359	1.4
329.21017	1.8
347.27252	1.7
403.33600	9.7
421.34653	100.0
422.35001	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	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.74027	0.4
55.01880	0.5
55.05504	10.5
56.96558	0.8
57.03436	1.0
57.07074	4.3
59.05003	0.4
65.03927	1.2
67.05502	15.4
69.03404	0.6
69.07066	16.1
69.83163	0.8
69.83572	1.4
71.05009	0.5
71.08621	1.5
79.05487	9.5
79.05927	0.7
81.03422	1.1
81.07053	24.1
83.04981	1.1
83.08616	7.6
83.09080	0.8
85.06561	0.9
91.05477	10.9
93.06431	0.6
93.06569	0.4
93.07039	21.9
95.04960	2.7
95.08603	42.3
96.08989	0.4
97.06533	1.8
97.10156	5.1
98.20860	0.7
104.99242	0.4
105.07029	21.7
107.04961	1.0
107.08589	26.1
108.23554	0.4
109.06530	1.5
109.10151	25.9
111.08096	1.4
111.11725	1.5
113.09653	1.3
115.05457	1.0
117.07021	4.9
119.08579	27.3
120.08926	0.6
121.06525	1.0
121.10143	22.1
122.10446	0.5
123.08093	1.4
123.11701	9.4
125.09631	1.1
128.06212	2.1
129.07010	3.0
130.07825	1.0
131.08566	12.7
133.10118	14.5
135.08064	1.4
135.11687	14.3
135.12730	0.6
137.09616	0.6
137.13240	6.4
139.11177	1.3
141.06976	1.0
142.07774	2.2
143.08553	10.8
144.09296	1.1
145.06483	0.6
145.10121	17.8
147.11670	12.6
149.09604	0.8
149.13248	14.0
150.13614	0.5
151.14862	1.6
153.06989	0.4
154.07784	0.8
155.08554	4.1
156.09372	2.4
157.10127	13.7
158.10881	1.5
159.11682	16.2
160.12328	0.6
161.09634	1.3
161.13240	14.3
162.13637	0.7
163.11269	0.8
163.14810	5.0
165.12773	1.0
165.16370	1.0
166.07816	0.5
167.08566	0.9
167.14253	0.7
168.09332	1.0
169.10123	8.0
170.10947	1.2
171.11674	11.0
172.12358	0.6
173.09683	0.8
173.13246	12.0
174.13751	0.5
175.11214	0.5
175.14821	9.8
177.12811	1.9
177.16386	4.8
179.08611	1.3
179.14354	1.6
179.17822	0.6
180.09245	0.5
181.10112	3.8
182.10904	1.1
183.11679	8.1
184.12495	1.2
185.13245	8.9
186.13989	0.8
187.14815	9.6
189.12750	1.0
189.16365	4.9
191.14343	1.1
191.17915	3.5
193.10178	1.7
193.12106	0.6
193.15865	0.7
194.10858	0.6
195.11664	3.7
196.12408	1.4
197.13261	6.9
198.13994	0.9
199.14806	11.4
199.16618	0.6
200.15346	0.7
201.16364	13.8
202.16910	0.6
203.14331	1.6
203.17957	5.7
205.15929	1.7
205.19524	2.1
206.11011	0.5
207.11708	1.3
207.17493	0.7
209.13263	3.5
210.13968	0.8
211.14841	4.6
212.15511	0.7
213.16393	5.7
215.14449	0.9
215.17952	5.0
217.15936	3.3
217.19466	3.3
219.17531	1.2
221.13290	1.4
222.14082	0.6
223.14819	3.6
224.15547	0.6
225.16350	4.7
226.17036	0.6
227.17883	3.4
229.15855	1.3
229.19501	6.8
231.17430	1.5
231.21033	1.0
233.19066	1.2
235.14832	1.4
237.16406	3.9
239.17918	4.5
241.15825	0.9
241.19481	4.7
243.17480	1.4
243.21082	5.5
245.18857	1.0
245.22748	0.5
247.20604	0.7
249.16393	1.8
251.18015	4.5
252.18651	0.5
253.19505	3.6
255.17442	0.9
255.21075	3.4
257.19095	1.4
257.22699	1.2
259.20679	1.0
263.18024	1.3
265.19510	4.6
266.20331	0.6
267.20987	4.8
269.19083	3.2
269.22638	1.9
271.20630	1.8
277.19531	1.0
279.21088	1.5
281.22601	2.8
281.29892	0.5
283.20663	3.2
283.23831	0.6
285.22202	1.5
291.21024	1.5
293.22449	2.1
295.24063	2.9
297.22131	0.9
305.22653	1.8
307.24182	1.8
309.22314	0.8
309.25818	1.4
319.24084	2.3
321.25668	0.9
323.23773	1.0
323.27341	0.9
325.25183	1.1
329.21219	1.2
333.25754	1.7
335.27359	1.0
337.25269	0.9
338.97141	0.5
339.26523	0.5
347.27332	2.0
349.28818	0.6
351.26855	1.3
360.28085	0.6
361.28976	1.4
363.30536	0.7
365.28372	0.9
375.30444	0.8
377.31931	1.0
378.29144	0.5
379.29858	1.2
379.34018	0.5
393.31290	0.5
403.33585	25.3
404.34039	1.2
421.34619	100.0
422.34964	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	421.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
55.05506	22.1
55.24348	1.7
56.21788	1.8
56.96569	3.9
57.03430	5.0
57.07081	15.6
65.03925	2.9
67.05147	2.6
67.05502	37.7
69.03428	3.5
69.07068	48.6
70.85678	4.0
71.04998	3.7
71.08640	4.4
75.60369	1.9
78.43048	1.7
79.05499	16.9
81.03414	4.6
81.07053	48.1
83.04976	4.3
83.08617	25.2
85.06508	2.2
87.75549	2.0
88.07599	2.6
91.05479	24.4
93.07040	25.8
95.04960	11.8
95.08600	49.7
95.09180	2.7
96.36469	1.7
97.06551	4.6
97.10180	8.0
99.08122	2.3
102.09210	2.6
104.99303	5.0
105.07033	26.6
107.04972	4.7
107.08596	34.0
109.06559	6.3
109.10152	40.0
111.08102	7.3
111.11742	3.5
113.09641	2.7
115.05487	2.9
117.07043	6.9
119.08576	38.6
121.06532	4.4
121.10146	25.0
123.08085	3.3
123.11701	20.4
124.41492	1.8
125.09619	2.5
125.13259	4.0
128.06323	2.7
129.07021	7.6
131.08571	20.5
133.06549	2.9
133.10135	23.1
135.08067	16.1
135.11688	13.6
137.09619	2.7
137.13249	8.9
139.11238	3.9
141.06985	5.4
142.07822	4.2
143.08554	23.2
145.10118	31.2
147.04433	7.6
147.11703	16.7
148.04799	2.8
149.09654	4.5
149.13303	8.7
151.11235	2.8
151.27385	1.8
155.08542	12.1
156.09406	5.0
157.10135	33.7
159.08081	3.7
159.11687	31.7
159.12918	3.0
161.09612	3.2
161.13301	6.7
163.11186	4.4
163.14883	7.8
165.07062	3.0
167.08621	5.2
168.09392	4.0
169.10144	19.7
170.10875	2.6
171.11661	21.6
173.09685	2.4
173.11882	3.3
173.13315	14.7
175.11224	4.1
175.14813	8.8
177.12810	5.5
177.16457	5.1
179.08589	3.1
179.14369	3.0
181.10101	11.8
181.15877	3.6
182.10971	5.7
183.11679	26.1
185.13274	16.2
186.13948	2.0
187.11209	2.4
187.14754	11.1
189.16420	13.2
191.07060	6.5
191.14330	2.2
191.18005	3.8
192.07391	7.0
193.10283	3.3
193.12332	2.3
194.10742	2.0
195.11671	17.0
196.12531	3.2
197.13255	25.5
198.13983	2.6
199.11421	2.1
199.14799	11.2
201.16391	13.6
203.18037	3.9
205.15942	2.1
207.11745	5.7
208.12651	2.6
209.13239	13.2
211.14803	13.3
213.12892	2.8
213.16483	8.0
215.18069	6.8
217.15895	2.3
221.13359	4.6
223.14818	9.8
225.16373	9.2
227.17969	6.6
229.07614	3.9
229.19608	3.5
235.14938	3.9
236.15471	2.0
237.16415	5.3
239.18013	6.4
241.19641	6.0
249.16545	2.1
251.17960	19.9
253.19496	22.6
255.21219	7.0
256.26395	3.8
257.26718	5.9
262.98517	2.2
265.19479	10.5
267.21039	9.5
269.19089	4.5
271.20676	5.0
277.19510	2.9
279.21185	8.1
281.22726	7.1
283.20575	17.6
291.21207	3.2
293.22678	3.6
295.20697	2.9
295.24167	3.6
296.85318	1.9
297.22241	4.6
307.24194	4.1
309.22235	8.2
309.25888	7.6
321.25803	2.4
325.25113	11.0
329.21228	7.4
329.24765	2.5
333.26089	3.5
335.27527	6.0
337.25259	3.9
338.97000	4.5
347.27182	3.6
361.28961	3.0
365.28528	3.1
403.24796	5.7
403.33716	24.7
421.20319	4.0
421.25717	7.9
421.34839	100.0
422.35458	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	421.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76742	2.1
53.03939	3.0
55.05511	13.3
55.81677	2.0
56.05048	3.5
57.07066	13.1
61.17971	1.9
65.04303	2.0
67.05492	17.3
69.07067	22.3
69.17596	14.1
69.18029	7.2
71.08627	5.8
72.08146	2.6
79.05491	9.5
81.07051	38.2
83.08613	14.8
85.10175	2.3
85.45631	1.9
89.06016	8.8
91.05464	14.1
93.07032	21.4
95.04967	4.4
95.08602	57.2
97.10162	6.2
105.07029	27.9
107.08590	40.8
109.06529	3.9
109.10149	29.7
111.11700	1.9
117.07008	4.2
119.08572	29.1
121.09267	2.1
121.10135	43.0
123.08067	3.6
123.11692	27.5
128.06210	3.3
129.07005	3.1
131.08566	16.8
133.08566	4.0
133.10123	20.6
133.25888	1.9
135.08032	4.4
135.11696	25.1
137.13239	41.1
140.10715	20.7
141.06972	2.2
143.08556	11.8
145.10123	26.5
147.08003	2.8
147.11678	14.4
149.09677	3.4
149.13255	16.0
154.72194	2.3
155.08578	5.8
157.10139	16.2
157.13365	25.1
158.10863	2.5
159.11673	19.7
161.09628	2.6
161.13182	11.7
163.11174	3.0
163.14828	8.9
169.10066	14.7
170.10812	3.3
171.11673	12.5
173.13234	11.7
175.14815	8.4
177.16409	5.0
181.10138	6.1
182.10905	3.4
183.11636	19.8
184.12480	2.6
185.13181	9.5
187.14789	11.6
189.16393	8.2
191.14323	2.5
191.17964	5.0
193.10129	3.2
194.10971	2.3
195.11684	11.0
197.13275	13.4
199.14856	5.8
201.16289	11.9
203.18010	13.1
207.11708	3.2
208.12456	4.2
209.13242	11.3
211.14769	9.8
213.16373	7.1
215.14372	2.4
215.17957	8.7
217.15987	5.1
217.19460	3.0
221.13142	4.3
223.14812	6.4
225.14490	2.1
225.16275	10.7
227.17943	6.6
229.19545	5.5
233.19037	3.0
236.15561	3.2
237.16422	4.2
239.17944	4.6
241.19510	5.0
251.17943	23.3
252.18303	2.9
253.19507	17.7
255.21104	3.0
257.18921	3.2
263.18002	3.3
265.19574	10.0
267.21063	11.0
269.19037	8.7
271.20566	4.1
277.19412	2.9
283.20581	2.7
293.22577	2.9
305.22675	3.1
309.25867	2.7
317.22745	2.1
319.24091	3.7
333.25742	3.5
351.26572	2.9
360.28024	2.8
361.28796	8.9
361.33054	2.5
365.28506	2.7
378.29288	4.5
379.29999	5.1
403.33557	34.8
404.33957	3.2
421.34637	100.0
422.35052	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	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79391	2.2
53.03941	2.8
55.05513	13.8
57.07066	12.0
67.05510	13.6
69.03361	2.5
69.07071	22.5
70.68313	4.0
70.68641	4.3
71.08620	3.0
76.68456	2.3
79.05481	8.4
81.07059	35.5
83.08617	17.0
85.06510	3.2
89.06042	15.1
89.91164	2.6
91.05477	12.8
93.07052	23.3
95.04964	5.4
95.08601	39.9
97.10159	7.2
105.07031	24.6
107.08592	32.7
109.06441	2.8
109.10162	28.3
110.84855	2.7
113.00007	8.4
117.07016	4.4
119.08569	25.7
121.10153	34.2
123.08080	2.9
123.11707	34.0
129.07002	3.2
131.08551	18.8
131.30280	2.5
133.08633	3.6
133.10115	17.3
135.08046	2.6
135.11665	15.7
137.13263	38.3
141.06924	2.8
142.07748	5.9
143.08534	10.8
145.10136	27.7
147.11696	19.6
149.13310	14.0
149.14323	2.5
155.08548	8.8
156.09326	3.5
157.10152	20.3
159.11682	22.9
161.13258	11.1
163.11235	2.6
163.14816	10.8
165.16365	2.9
169.02652	9.2
169.10138	19.2
171.11673	17.6
173.13304	12.4
175.14830	7.6
177.12642	3.4
177.16293	3.9
181.10107	7.0
183.11703	15.4
185.13290	11.6
187.14818	9.2
189.16385	9.2
191.17964	9.5
193.10172	3.1
195.11743	10.1
197.13257	11.0
199.14854	8.0
201.16437	13.5
203.17903	11.6
207.11702	4.0
209.13254	8.3
211.14873	9.5
213.16373	10.2
215.18013	13.3
217.15860	4.6
221.13315	4.0
223.14835	9.3
225.16426	6.0
227.17941	6.0
229.16093	2.8
231.17448	6.0
233.19069	3.3
235.14891	3.8
237.16414	6.6
239.17976	7.9
241.19591	4.1
247.14854	2.9
249.16367	7.1
251.17961	24.2
253.19524	14.0
255.21170	3.5
263.17786	4.6
265.19476	6.0
267.21106	8.2
269.18973	6.5
271.20688	3.4
281.22552	3.6
285.22183	3.8
291.21036	7.6
295.24118	4.0
305.22574	3.3
319.24091	6.2
360.28015	4.6
361.28876	8.6
378.28949	2.9
379.29849	8.4
403.33585	36.9
421.34659	100.0
422.34933	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	422.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35980	0.3
53.03951	0.5
55.01880	0.7
56.96566	0.6
57.07075	0.4
67.05493	1.1
69.03415	0.5
69.07076	0.8
69.23621	3.2
69.24025	0.9
70.06548	0.4
72.04506	1.5
77.23898	0.4
79.05486	1.8
81.07066	1.2
83.04977	0.4
85.37874	0.4
87.04434	0.6
88.03993	100.0
89.04371	0.4
91.05492	1.2
95.04979	1.0
95.08585	0.8
97.06542	3.5
105.07053	0.8
106.08666	6.4
107.04973	0.9
107.08537	0.6
109.06551	0.8
109.10163	0.6
111.04464	0.8
116.58120	0.4
119.08611	0.9
125.01544	21.4
131.07283	1.2
131.08611	0.6
132.06586	1.6
133.10118	0.5
135.04439	0.7
136.05208	1.0
137.01518	0.4
137.05969	1.1
138.06821	0.7
138.99442	5.2
151.07567	2.0
152.06270	0.9
153.07040	1.1
163.03970	1.0
165.05495	7.9
165.06860	0.7
166.04230	0.6
173.02335	0.7
178.99013	0.7
179.07048	0.6
181.06448	3.3
182.07275	0.7
182.84756	0.5
183.02103	0.5
183.08086	1.2
187.03139	1.1
191.02675	1.9
194.03752	0.6
195.08102	1.7
196.08836	5.0
197.09459	0.5
201.04872	0.5
203.02515	0.5
205.04205	0.9
206.08211	0.9
209.06058	1.3
211.07515	2.2
213.09077	1.1
215.02632	3.0
215.07143	0.9
216.03444	0.6
217.04164	2.1
221.10515	0.8
224.08267	0.7
226.09885	0.7
229.04134	0.9
230.04951	0.9
231.05713	6.2
233.03670	1.2
243.02095	3.1
245.03696	0.5
245.07407	0.6
246.04599	0.8
247.05200	12.9
258.04437	9.9
259.05234	9.2
259.09622	4.4
261.03250	1.6
261.06848	9.8
264.10300	0.6
265.11099	0.6
273.06912	1.8
276.05487	48.2
277.05862	0.6
279.12555	0.6
289.06177	2.7
291.07819	25.5
292.08142	0.6
300.07825	1.3
301.08698	0.9
305.88208	0.5
316.07443	1.3
317.05783	1.1
331.09921	1.4
332.10403	3.7
341.13675	0.5
360.09970	6.4
376.13150	3.0
405.70850	0.5
422.35541	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	422.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01851	3.1
55.05498	1.6
57.03422	2.5
60.04525	0.8
61.02916	4.1
65.03942	1.5
67.05492	6.8
68.05017	2.9
69.03430	9.1
70.06577	3.1
71.01341	2.0
71.04977	2.8
71.48867	1.2
72.08116	0.9
73.02885	1.3
76.12592	0.7
79.05488	18.1
80.05000	2.8
81.03419	9.2
81.07056	17.6
82.06556	1.7
83.01335	1.1
83.04969	1.5
83.92459	0.7
84.04508	1.5
84.08126	2.0
85.02906	23.6
86.09686	1.5
88.03959	0.8
91.03927	1.1
91.05479	25.4
93.07047	5.2
94.02895	2.0
94.06557	3.7
95.04964	11.2
95.90542	0.7
96.04502	6.3
97.02879	10.9
97.06474	1.9
98.06065	0.8
99.04440	2.3
103.03861	1.0
103.05464	6.2
104.04967	1.0
105.03341	1.0
105.07019	2.7
106.06550	4.4
107.04954	18.0
107.08580	2.0
108.04488	1.0
108.05729	2.5
108.08067	2.0
109.02873	4.0
109.06519	11.7
110.06016	3.3
110.07177	0.9
111.04445	2.2
112.03979	1.0
114.01868	1.0
115.05421	0.8
117.07005	1.2
118.06526	5.8
119.04938	23.6
119.07285	1.4
119.08537	1.5
120.04453	4.0
120.08099	3.5
121.02910	1.9
121.06490	6.7
122.06020	6.4
123.04404	3.6
123.08107	1.3
124.03938	1.0
125.02354	1.5
126.05544	2.0
127.03909	4.1
128.03436	3.6
129.01833	1.0
129.10229	0.8
131.04921	3.7
134.06003	2.4
135.04375	3.0
135.08054	0.8
136.06136	1.3
136.07570	6.3
137.05968	12.1
138.05469	2.2
139.03909	5.1
140.03409	0.9
140.07050	0.9
145.04944	2.9
146.06001	7.8
147.04401	31.6
147.06805	1.7
148.03961	1.5
149.05969	5.8
149.09599	1.2
150.05484	1.2
151.03900	1.7
151.07558	1.6
152.07019	2.5
153.05472	1.5
154.04938	2.6
155.07024	12.6
159.04396	9.1
162.09230	0.8
163.03899	2.5
163.51295	1.0
164.07036	5.9
165.05470	18.6
166.08649	1.4
167.07047	1.4
168.06561	1.1
174.05455	3.0
175.03906	5.7
175.06236	1.8
177.05461	12.0
178.08578	1.3
179.07024	23.1
180.06584	1.0
181.04913	2.2
182.08125	13.4
183.06555	4.8
189.05411	1.7
191.07031	14.2
192.06541	11.0
192.08334	1.1
193.04936	3.9
195.06505	2.9
196.09703	3.1
197.08131	8.5
203.66727	0.8
206.08174	3.3
207.06525	12.4
207.13899	1.2
209.08076	14.6
210.07605	15.7
211.05995	19.4
214.10925	0.8
215.09143	1.0
224.09154	23.3
224.11304	1.5
225.07588	12.3
225.09572	1.3
225.14821	4.2
228.08620	14.7
229.07013	1.9
233.07860	2.1
241.09456	0.9
242.10226	100.0
243.08597	9.6
243.10670	1.0
256.11899	1.1
260.11304	31.6
261.11487	0.9
284.11646	1.1
301.11780	0.9
302.12494	2.1
386.14136	1.6
404.15268	3.2
422.16620	4.1
422.22470	1.0
423.12454	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	423.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01834	1.2
55.05510	5.5
55.93540	1.6
56.96563	1.8
57.07072	1.5
65.03925	1.7
67.05500	12.8
69.03432	2.0
69.07065	5.0
69.26118	12.1
71.04970	2.9
79.05494	7.5
80.04998	1.5
81.03401	2.1
81.07057	9.4
82.06525	1.4
83.04967	1.9
83.08611	3.4
84.08126	2.3
85.02916	2.0
85.06477	1.1
86.09703	5.5
90.69818	1.2
90.94819	1.4
91.05486	8.0
93.07051	7.6
95.04928	3.2
95.08627	8.4
97.06530	4.1
103.05454	2.6
105.07034	9.1
106.06540	9.0
107.04914	1.7
107.08595	7.4
108.08104	2.1
108.32399	1.1
109.06516	3.2
109.10147	7.5
110.09690	1.7
111.04424	2.0
111.08093	1.5
115.05436	3.1
117.05740	4.8
117.07029	2.8
118.06556	4.5
119.08571	5.2
120.08081	2.3
121.06499	1.9
121.10162	3.9
123.08080	3.3
124.11204	1.5
127.03901	1.2
130.06488	2.1
131.08559	2.4
132.08080	3.1
133.06461	3.6
133.10114	4.9
135.11696	2.1
136.07616	1.6
139.03896	15.7
142.06502	1.4
145.10135	3.5
146.06003	100.0
147.04315	1.4
147.11609	1.6
148.07591	7.9
151.11171	1.6
157.10088	2.1
158.05919	1.1
159.11652	2.1
160.07553	7.1
161.13251	2.9
162.09135	6.5
164.07039	1.7
165.05469	16.1
165.06779	1.8
165.09016	1.2
167.07025	3.4
170.05951	1.1
171.11659	1.7
172.07585	2.3
174.05556	2.3
176.07074	5.0
177.12753	2.4
178.08630	4.6
179.14314	3.0
185.13174	1.5
188.07065	41.2
188.10667	1.4
190.04918	1.2
190.08574	2.8
203.10812	1.2
204.10217	3.3
206.07990	2.2
208.09738	1.6
213.45064	1.2
216.04463	2.8
216.06560	58.7
217.06857	1.9
230.08156	2.3
231.14958	1.2
232.09607	1.4
245.04654	1.6
248.09181	32.4
264.11752	1.6
275.17407	1.5
277.15408	5.2
285.10098	1.8
295.16351	1.3
301.15372	2.4
321.18088	92.4
322.18439	2.2
331.26141	1.5
347.16113	2.8
351.20187	1.9
353.20648	1.7
355.66040	1.4
363.19141	4.8
379.18851	5.7
391.18613	32.2
396.70886	1.2
423.21252	87.8
423.31161	9.1
423.37003	2.1
424.21548	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	423.2352
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
53.03939	0.4
55.05517	2.1
56.96564	0.8
57.03429	0.5
61.02926	0.3
67.05515	2.4
69.03423	1.1
69.07064	1.7
69.82740	0.8
69.83157	1.4
70.06589	0.4
71.04981	0.4
72.08165	0.4
73.02895	0.4
74.70779	0.4
79.05505	2.4
81.03417	0.8
81.07066	3.5
83.04986	1.0
83.08633	1.5
84.08136	0.4
85.02892	1.1
85.06544	0.5
88.03986	0.4
91.05506	2.1
93.07040	2.5
95.04974	1.1
95.08608	3.8
97.02899	0.6
97.06538	3.5
97.10162	0.6
98.97601	0.6
99.04464	0.4
100.11282	1.1
103.05476	0.4
105.07053	2.5
107.04956	1.1
107.08595	3.1
109.06519	0.6
109.10174	2.4
111.08124	0.6
117.07008	0.6
119.08569	2.2
121.10106	2.1
123.04508	0.4
123.08045	0.5
123.11762	0.6
125.09628	0.5
127.03921	0.4
129.07024	0.5
131.08589	1.9
133.10120	2.4
135.04398	1.3
135.08076	0.8
135.11710	1.2
137.09663	0.7
137.13266	0.4
143.08543	1.1
145.10149	1.7
147.04442	0.4
147.11716	1.5
149.09621	0.7
149.13210	0.7
149.29794	0.4
151.03940	0.4
151.07587	0.5
155.08565	0.7
156.09410	0.4
157.10110	1.0
159.08087	0.7
159.11748	1.8
161.09645	0.5
161.13286	1.2
163.03894	0.9
165.09091	0.8
168.13818	0.4
169.10045	0.5
171.11714	0.9
173.13243	0.9
175.11151	0.6
175.14879	1.0
182.15417	1.1
183.11725	0.5
185.13327	0.5
187.07593	0.4
187.11159	0.4
187.14873	0.8
189.16377	0.8
193.12227	0.7
201.16389	0.5
203.18002	0.8
210.14877	0.6
211.13271	0.6
213.16437	0.4
215.17993	0.5
223.07365	0.4
227.17969	0.4
241.12308	0.4
253.19489	0.5
261.14716	0.5
292.22006	0.4
321.14520	1.0
339.05051	0.8
387.30487	0.5
405.20404	0.4
405.31137	1.1
405.35751	0.6
406.22079	0.8
423.23572	100.0
424.23975	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	423.2351
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
53.03933	0.9
55.01877	0.6
55.05510	1.9
56.96558	0.9
59.04980	0.5
67.05500	4.2
69.03412	1.7
69.07063	3.9
70.06583	0.9
71.04974	0.6
71.49996	0.7
73.51794	0.5
79.05487	4.7
81.03407	2.0
81.07060	5.7
83.05009	1.1
83.08615	1.3
83.38326	0.4
85.02905	1.5
85.06546	0.5
88.03973	0.9
91.05469	3.2
93.07047	4.0
95.04971	2.3
95.08614	5.8
97.02873	0.6
97.06516	4.5
97.10176	1.2
98.97646	0.5
99.04459	0.8
100.11274	1.1
101.79787	0.5
105.07014	3.2
106.06540	1.0
107.04996	1.3
107.08601	4.2
109.06516	1.4
109.10164	5.2
111.04440	0.6
112.04046	0.5
117.07033	1.0
119.08596	4.9
121.06580	0.8
121.10143	3.2
123.08083	1.0
123.11703	1.7
125.09581	0.6
127.03880	0.6
131.08568	2.3
133.10129	2.7
135.04407	1.5
135.11693	2.0
137.09555	0.7
137.13252	1.0
141.06982	0.5
143.08580	1.1
145.06485	0.6
145.10107	3.0
147.11728	2.3
149.09628	0.9
149.13266	1.9
150.81451	0.5
155.08502	0.9
157.10153	1.2
159.08116	0.7
159.11691	2.1
161.13269	1.5
163.03932	1.0
163.11208	0.9
163.14870	1.1
165.09105	1.1
169.10117	1.0
171.11653	1.3
173.09673	0.7
173.13258	1.6
175.07538	0.6
175.14804	1.6
177.16397	0.6
183.11719	0.8
185.13286	1.1
187.14758	1.0
187.21220	0.5
189.09248	0.8
189.16408	1.2
191.10709	0.8
191.17960	0.6
193.12195	0.8
196.13176	0.5
197.09662	0.5
199.14818	1.0
201.16370	1.1
203.17963	0.8
205.06744	0.5
210.15138	0.6
211.07527	0.5
211.13156	0.8
213.16434	0.7
215.17958	0.7
217.04996	0.5
217.19493	1.1
225.09389	0.6
225.16212	0.8
226.52846	0.5
255.21027	0.5
260.16525	1.1
261.16785	1.4
321.14423	1.0
377.32349	0.6
405.31055	0.9
405.35724	1.1
423.23566	100.0
423.32599	2.5
423.36606	3.4
424.23871	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23010	0.8
55.01871	0.9
55.05510	8.5
57.03427	1.5
57.07082	5.8
59.97210	0.7
67.05508	18.2
69.03408	1.0
69.07075	14.3
69.47563	0.6
69.47861	5.9
71.04977	1.3
71.08636	5.9
75.04476	0.9
79.05497	9.0
81.07059	23.8
83.04945	1.3
83.08620	5.2
85.06536	2.6
88.66741	0.8
91.05480	8.6
93.07045	14.3
95.04943	1.7
95.08611	27.1
97.06557	2.3
97.10162	2.5
98.20773	1.1
99.04498	0.9
99.08098	2.3
105.07037	14.6
107.08593	17.6
109.06510	16.3
109.10159	18.2
111.08099	1.1
113.34444	0.8
117.07029	3.4
119.08586	15.1
121.10139	14.6
122.07296	2.2
123.08069	32.6
123.11722	6.1
129.07019	0.7
131.08562	6.9
133.10121	9.8
135.08051	8.0
135.11684	8.1
137.09622	2.1
137.13293	4.0
139.11296	0.8
142.89442	1.0
143.08582	3.6
144.09328	0.9
145.10127	9.8
147.11664	8.1
149.09619	2.3
149.13229	6.5
151.14815	1.7
155.08559	1.4
156.09404	0.8
157.10139	5.1
159.11697	9.7
161.09682	0.8
161.13264	6.9
163.11197	1.1
163.14830	3.7
165.12729	1.6
165.16408	0.8
167.14391	1.2
169.10100	2.4
171.11716	4.3
173.11826	1.6
173.13239	6.2
175.14819	3.5
177.12737	2.6
177.16385	3.4
177.89114	0.8
179.14313	83.7
180.14680	2.7
183.11707	3.4
184.95883	0.8
185.13264	3.2
187.14832	6.6
189.16379	3.6
191.14357	1.9
191.17920	2.8
193.15843	3.1
197.13293	1.5
199.14850	3.2
201.16365	7.5
203.17957	4.2
205.15868	5.2
205.19516	0.9
207.17430	1.0
209.13243	0.8
211.14870	1.7
213.16382	2.9
215.17964	5.2
217.19559	2.5
219.17357	1.3
225.16437	1.7
227.17955	2.2
229.19548	2.2
233.18974	2.0
239.18044	1.5
241.19601	2.1
243.21179	1.6
247.20723	0.9
253.19522	3.2
255.21132	1.9
257.18875	1.3
257.28757	0.8
267.21091	1.7
269.22647	2.2
271.20566	3.0
275.20105	2.2
285.22198	1.5
289.25293	1.1
295.24164	1.3
303.26923	2.6
305.10202	0.7
313.25366	1.2
331.26324	37.6
332.26685	1.8
349.27393	3.5
405.30200	1.1
405.35086	9.7
423.30981	100.0
423.36240	30.0
424.31213	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01852	1.8
55.05511	12.3
57.03424	1.9
57.07076	8.3
57.15996	0.9
65.18945	0.9
67.05504	22.7
68.64587	0.9
69.03403	1.0
69.07064	16.3
69.61112	1.1
71.04975	1.7
71.08645	4.7
79.05489	12.1
81.07058	31.3
83.04942	2.1
83.08606	8.2
84.87275	0.9
85.06531	3.5
91.05471	10.9
93.07043	17.5
95.04974	2.7
95.08609	33.8
97.06521	4.0
97.10163	4.2
99.08103	2.7
105.07030	17.5
107.08595	23.1
108.08939	1.2
109.06510	18.4
109.10161	25.1
111.08083	3.7
117.07008	2.5
119.08583	19.1
121.06493	1.5
121.09357	1.5
121.10151	19.3
122.07280	2.6
123.08067	39.1
123.11697	11.1
124.08385	1.1
125.09583	1.5
131.08598	7.3
133.10133	13.2
135.07109	1.5
135.08032	9.4
135.11662	9.8
137.09622	2.8
137.13243	7.3
142.07938	0.9
143.08540	5.1
145.10139	10.9
147.11670	10.2
149.09619	3.9
149.13268	6.7
151.14830	3.1
155.08562	2.2
156.09346	1.4
157.10106	7.0
159.11684	13.1
161.01355	1.0
161.09702	1.2
161.13258	9.0
163.11180	1.2
163.14827	4.5
165.12704	2.7
165.16412	1.8
167.14384	2.4
169.10156	3.5
171.11670	5.4
173.11859	1.3
173.13235	6.3
175.14795	5.4
177.12747	2.8
177.16432	4.2
179.14307	82.7
180.14691	2.8
183.11641	4.7
184.12398	1.4
185.13264	5.1
187.14825	6.6
189.16405	3.7
191.14305	2.2
191.17917	3.8
193.09988	1.1
193.15869	3.5
197.13231	3.7
199.14772	3.3
201.16359	6.4
203.17963	5.8
205.15878	3.6
205.19560	2.1
209.13152	1.5
211.14822	2.3
213.16457	2.5
215.17967	3.9
219.17436	2.5
225.16339	1.4
227.17946	3.8
229.19510	2.0
229.25801	1.2
233.18968	2.3
239.17966	1.6
241.19585	1.8
243.17479	1.6
243.21178	2.3
245.19031	1.3
253.19510	4.2
255.21095	3.4
257.19055	1.7
259.20441	1.0
265.19568	1.3
267.21121	4.2
269.22610	3.3
271.20499	3.8
275.20129	2.7
281.22778	1.3
285.22195	2.4
289.25192	1.3
293.21118	1.3
299.23627	1.7
303.26837	4.1
309.25650	1.3
313.25351	1.9
321.25845	1.8
331.26321	38.0
332.26526	2.3
337.28699	1.5
349.27301	10.4
405.29926	1.8
405.35001	15.4
423.30951	100.0
423.36209	33.8
424.31445	9.2
424.36569	1.8
444.13217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.7
55.05513	4.4
57.03421	1.6
57.07075	4.8
60.25795	0.5
67.05199	0.5
67.05508	7.6
69.06748	0.5
69.07068	5.6
69.99165	2.9
71.04978	0.6
71.08641	3.5
79.05495	5.1
81.07056	10.8
83.04950	0.8
83.08606	2.4
85.06519	2.1
91.05498	2.8
93.07046	5.8
95.04945	0.9
95.08009	0.6
95.08609	10.5
97.06520	1.6
97.10175	0.8
97.89273	0.6
98.21534	0.6
99.08088	3.1
101.04410	0.5
105.07033	4.2
107.08594	7.1
109.06519	18.4
109.10175	4.1
110.86002	0.5
111.08063	0.8
117.07008	0.9
119.08583	5.1
121.06455	0.8
121.10150	4.3
122.07264	1.8
123.08068	31.2
123.11704	1.8
124.08366	0.6
125.09678	0.6
131.08533	1.4
133.10115	4.1
135.08047	6.9
135.11664	1.9
137.09605	1.6
137.13200	1.0
145.10080	2.4
147.11688	2.5
149.09613	1.7
149.13232	1.7
159.11693	2.3
161.09581	0.6
161.13243	1.3
163.11223	0.6
165.12766	1.8
167.14297	1.5
173.13281	1.3
175.14853	1.0
177.12720	2.1
179.14310	77.7
180.14667	1.6
187.14862	0.7
189.16338	0.6
191.14302	0.9
193.15889	2.8
198.97742	0.5
203.18011	0.6
205.15924	2.3
215.17949	0.8
233.18948	1.3
247.20558	0.7
275.20050	1.7
289.21915	0.7
289.25391	0.6
293.21136	1.2
303.26889	2.9
313.25455	0.8
331.26312	33.2
332.26816	1.4
349.27325	9.3
367.24725	1.4
400.95868	0.5
405.29971	2.1
405.35071	1.0
423.31058	100.0
424.31525	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	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44993	0.6
53.03944	1.0
53.61127	0.6
55.01868	1.2
55.05509	7.7
57.03428	2.0
57.07059	1.8
61.63635	0.6
67.05504	9.7
69.03404	0.9
69.07066	10.6
70.18332	2.8
71.04985	1.1
71.08633	1.7
79.05500	6.2
81.03382	1.1
81.06607	1.0
81.07056	15.4
81.07532	0.8
83.04967	1.3
83.08616	5.3
85.06538	1.4
85.45683	0.7
91.05480	4.3
93.07041	9.3
95.04946	1.5
95.08607	15.6
97.06517	2.4
105.07018	6.8
107.08595	11.4
109.06519	9.0
109.10155	8.8
111.08079	2.0
117.07027	1.5
119.08582	9.1
121.10143	7.7
123.08067	46.0
123.11707	2.8
124.08408	1.5
125.09805	0.7
131.08559	4.0
133.10139	5.4
135.08066	7.0
135.11664	4.7
137.09630	3.1
137.13249	2.0
139.11136	0.9
143.08636	0.8
145.10110	4.9
147.11719	4.0
149.09625	2.4
149.13268	3.0
151.11211	1.0
156.82747	0.8
157.10056	1.5
159.11682	4.6
161.09596	1.1
161.13297	3.0
163.11182	1.7
163.14836	1.4
165.12701	1.7
167.14339	1.1
171.11717	0.7
173.13255	3.0
175.14900	1.7
177.12720	4.1
179.14316	15.6
185.13327	1.0
187.14923	1.3
189.16420	0.9
191.14362	1.1
201.16469	1.0
203.17995	1.1
205.15865	0.8
215.17841	1.1
229.19696	0.6
233.19075	0.9
255.20787	0.8
263.20169	1.4
275.20081	3.7
277.21555	0.8
289.25262	1.0
293.21158	3.2
303.23721	0.8
303.26682	4.3
331.26276	29.2
332.26563	1.5
349.27332	8.1
367.24838	3.2
383.77173	0.7
405.30280	1.4
405.35065	1.5
423.31076	100.0
423.36047	6.5
424.31531	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	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37968	1.3
53.03949	1.9
53.54805	1.3
55.05513	16.0
55.69701	1.3
56.59067	1.4
57.07071	12.1
59.04998	2.3
65.03922	3.4
67.05507	36.0
69.03439	2.4
69.07069	28.6
69.76682	7.3
70.06586	13.6
71.05007	2.0
71.06941	1.6
71.08649	4.3
72.98714	1.7
79.05492	17.4
81.06599	2.8
81.07061	42.1
82.03705	1.7
83.04980	2.0
83.08630	10.6
85.06563	1.8
88.07632	20.8
89.07966	3.9
90.13658	1.6
91.05488	17.6
93.07047	35.7
95.04966	3.5
95.08611	55.5
95.09195	3.2
97.06541	4.7
97.10175	4.1
99.08126	3.9
102.09188	11.5
103.09560	2.7
105.07033	34.3
107.08595	52.3
109.06509	3.8
109.10159	67.2
110.10517	2.9
111.08074	3.0
111.11661	2.3
117.07042	3.5
119.08579	39.7
121.10149	45.4
123.08062	7.6
123.11701	18.6
125.09631	2.5
127.11234	1.8
129.06985	2.0
131.08553	12.2
133.10139	32.9
135.08055	5.5
135.11705	25.7
137.09653	7.6
137.13252	5.9
139.03893	1.9
142.07928	1.5
143.08502	3.5
144.09276	1.6
145.10127	20.0
147.11702	27.9
149.02345	56.6
149.03419	2.8
149.09669	4.1
149.13269	21.0
150.02699	27.1
150.03862	1.4
151.11182	2.1
151.14835	2.6
157.10162	7.8
158.10893	1.6
159.11700	30.9
159.12921	2.6
161.13271	23.4
162.13463	1.8
163.11127	7.4
163.14836	10.5
165.12749	2.2
171.11732	4.3
173.11859	3.8
173.13261	19.1
175.11330	1.4
175.14842	13.5
177.12784	4.9
177.16331	7.1
179.14328	6.9
183.11684	4.4
185.13255	4.7
187.14806	10.5
188.88156	1.3
189.12762	1.7
189.16391	18.8
191.14366	1.8
191.17960	13.1
193.04979	52.8
193.16277	1.3
194.05304	38.6
195.05568	1.8
195.13918	1.6
197.13353	4.0
199.14890	4.7
201.16364	18.5
203.14313	2.6
203.17970	29.8
205.15825	8.8
205.19479	8.4
207.17404	4.5
211.14774	2.8
213.16414	6.5
215.17783	8.0
217.19502	17.6
219.17461	7.5
223.14679	2.7
225.16350	3.6
226.28339	1.8
227.17984	4.4
229.19414	3.1
231.17479	2.2
231.21033	2.6
233.19127	2.6
241.19485	2.8
243.20992	2.7
245.18983	2.4
253.19707	1.8
255.21097	2.0
256.26328	16.2
257.19351	2.1
257.22568	4.1
257.26688	30.6
259.20679	2.3
269.22668	4.5
271.20450	1.9
271.24203	1.7
283.24271	2.5
285.22644	1.8
285.25797	2.5
295.24100	2.1
297.25742	2.7
298.61362	1.8
309.25629	1.8
313.25293	4.7
323.27423	1.8
329.28226	1.9
331.26355	3.5
405.35263	21.6
423.29398	99.9
423.36209	100.0
424.29834	5.0
424.36511	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	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.05514	11.9
57.07073	7.0
58.33346	1.1
61.52356	1.2
63.35407	1.0
65.82209	0.8
65.82597	1.0
67.05503	14.8
69.07069	19.6
69.87415	5.9
71.04982	1.6
71.08604	2.4
79.05490	9.2
79.96426	1.0
81.07055	27.5
83.08624	13.6
85.06534	1.5
91.05467	10.2
93.07044	22.0
95.04963	1.2
95.08610	46.0
97.06535	2.2
97.10172	3.7
105.07033	21.6
105.49755	1.1
107.08588	33.1
109.06517	3.0
109.10156	33.4
111.08067	5.7
111.11711	1.9
117.07021	4.9
119.08588	30.5
121.10146	26.7
123.08051	6.3
123.11697	21.7
125.09578	1.1
128.06239	1.6
129.07005	2.3
129.53117	1.1
131.08557	17.2
133.10129	20.5
135.08035	2.4
135.11702	15.2
137.13260	8.0
141.07001	1.8
142.07761	2.1
143.08559	10.1
145.10121	21.9
146.10530	1.0
147.11691	17.1
149.13272	9.8
151.14841	7.6
153.12682	1.3
155.08540	3.1
156.09294	1.5
157.10135	12.2
158.10893	2.3
159.11705	17.6
161.13271	11.7
162.13632	1.3
163.14783	8.3
165.16371	2.2
169.10129	5.0
170.10875	1.7
171.11667	12.0
172.12411	1.5
173.13263	14.5
174.13905	1.8
175.14804	9.6
177.12767	1.9
177.16379	8.8
179.14320	8.4
183.10077	1.2
183.11618	6.5
185.13260	14.2
186.14024	2.2
187.14818	11.0
189.16373	10.3
191.17928	11.2
195.11688	1.9
197.13275	3.9
199.14809	9.9
201.16394	13.7
203.17924	10.3
205.17677	1.1
205.19490	3.1
207.17413	1.9
211.14841	3.1
213.16411	5.6
215.17961	13.7
217.19508	10.5
219.17444	2.4
223.14790	1.4
225.16417	4.5
226.17224	1.7
227.17981	7.0
229.19507	5.3
231.21188	2.5
233.19058	1.6
237.16318	2.2
239.17888	5.3
241.19469	6.4
243.17395	3.8
243.21085	4.3
245.18958	5.8
253.19498	5.1
255.21095	4.2
257.19016	3.7
259.20575	3.9
267.21094	5.0
269.22638	9.1
271.20569	13.2
273.22208	1.7
281.22705	2.6
283.24179	5.5
285.22058	15.4
293.22662	1.3
297.25787	3.6
299.23849	1.9
307.25089	1.7
309.25705	4.7
311.27350	3.1
321.25742	3.0
323.27023	1.3
331.26282	4.1
335.27258	2.8
337.28784	2.9
339.26907	1.4
349.28394	1.6
362.29733	1.7
380.30896	2.0
381.31622	1.6
405.35147	28.0
406.35519	3.3
423.31006	13.1
423.36188	100.0
424.31525	1.9
424.36545	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	423.362
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03934	1.7
55.05293	1.7
55.05511	15.6
57.07059	7.6
65.04003	1.9
67.05505	31.5
69.03404	6.5
69.07069	22.9
70.75250	4.0
70.75613	2.0
71.04992	2.3
71.08611	2.9
76.45062	1.8
79.05496	16.5
81.03416	3.5
81.06604	3.7
81.07057	43.8
83.04964	3.3
83.08616	13.7
85.02934	2.4
85.06544	3.0
91.05483	13.6
93.07053	24.5
95.04996	3.2
95.08607	58.2
97.06546	2.7
97.10167	5.7
98.97582	2.3
99.80270	2.2
105.07028	26.7
107.08595	35.5
109.06528	4.7
109.10161	38.2
111.08080	3.5
117.07003	7.5
119.08574	32.8
121.06498	3.3
121.10142	30.3
123.08066	12.3
123.11717	22.3
129.06999	4.7
131.08559	14.7
133.10129	22.7
135.08032	5.8
135.11694	15.9
135.92543	1.8
137.13242	21.3
141.06993	2.5
142.07779	2.0
143.08553	8.4
145.09248	2.0
145.10141	22.4
147.11705	18.8
149.09567	2.2
149.13269	13.6
151.14853	5.4
155.08553	3.9
156.09373	2.7
157.10124	14.2
158.10725	2.4
159.11687	23.3
161.13261	18.0
163.14853	9.9
165.16382	3.5
169.10103	5.1
171.11700	12.8
173.13272	13.4
175.14763	9.9
177.16365	8.4
179.14304	19.9
183.11655	9.1
185.13278	11.4
187.14880	12.4
189.16374	6.8
191.17932	6.7
197.13254	7.2
199.14838	7.3
201.16391	12.3
203.17931	10.0
205.15828	2.5
211.14865	4.2
213.16377	5.2
215.17894	7.5
217.19482	8.7
219.17441	4.5
225.16325	4.7
227.17915	6.8
229.07484	2.0
229.19528	7.0
231.21135	2.3
239.17998	3.7
241.19514	4.1
243.21140	5.8
253.19510	7.4
255.21025	5.7
257.19022	5.0
259.20636	5.3
261.22119	3.9
267.21054	7.7
269.22653	7.5
271.20532	8.9
273.22076	2.6
281.22638	3.7
283.24197	6.0
285.22162	6.5
311.27338	2.0
323.27246	2.3
331.26373	10.6
335.27490	2.8
337.28677	2.5
349.28543	4.4
405.26431	2.6
405.35110	38.0
406.35553	2.8
423.30966	21.0
423.36148	100.0
424.36475	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	423.362
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05515	10.4
57.07081	5.7
58.04799	1.0
67.05503	12.5
69.07066	15.7
71.08610	1.9
79.05473	7.7
81.06603	2.3
81.07057	30.3
83.08612	10.0
86.24315	1.1
91.05504	5.6
93.07047	16.9
95.04971	2.4
95.07995	2.3
95.08602	38.6
97.10163	5.1
99.08092	1.4
105.07032	13.2
107.08595	23.8
109.06534	1.4
109.10153	27.3
111.08071	1.9
111.11701	3.9
113.09585	1.4
117.07043	3.0
119.08591	19.6
121.09351	2.0
121.10146	22.4
123.08074	3.6
123.11698	14.7
125.09648	1.4
129.07014	2.1
131.08572	10.6
133.10130	16.8
135.11682	12.4
137.09595	1.1
137.13255	11.6
142.07802	1.5
143.08559	8.7
144.09384	1.5
145.10138	17.8
147.11673	11.3
149.13260	8.9
151.14841	3.2
155.08562	3.0
156.09354	1.6
157.10114	13.5
158.10756	1.5
159.11674	20.0
161.13255	11.2
163.14896	5.3
165.16354	2.6
169.10153	5.3
170.10889	2.0
171.11694	12.7
173.13234	12.2
175.14844	5.3
177.16379	6.4
179.14380	3.6
182.10818	1.1
183.11685	7.6
185.13246	11.5
186.13925	1.7
187.14807	9.6
189.16420	4.0
191.17915	6.3
195.11729	1.6
197.13286	4.7
199.14810	5.8
201.16376	11.9
203.17949	9.1
205.19484	1.7
209.13271	2.3
210.14005	1.3
211.14832	4.9
213.16385	7.1
215.18004	6.4
217.19511	5.4
223.14856	1.5
225.16415	3.8
227.17964	4.1
229.19521	3.1
231.21021	1.5
233.19138	1.9
237.16391	1.7
239.17900	3.2
241.19514	4.4
243.21159	2.6
245.18893	1.1
251.17911	1.5
253.19519	9.1
255.21028	3.6
257.18900	1.6
259.20734	2.5
265.19388	1.5
267.20883	5.7
268.21402	1.2
269.22592	6.9
271.20590	6.8
271.24097	2.3
273.22137	2.4
281.22565	3.1
283.24167	9.9
285.22092	3.9
293.22662	2.1
295.24054	1.6
297.22443	1.2
297.25632	2.8
309.25760	1.5
311.27231	6.7
321.25723	2.2
331.26285	1.5
337.28879	4.4
339.30624	1.5
347.27310	1.4
349.28806	1.4
405.35144	35.6
406.35513	2.4
423.31381	5.6
423.36206	100.0
424.36624	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
54.84988	2.2
55.01858	3.0
55.05512	25.9
56.96568	4.2
57.03428	5.9
57.07067	10.5
64.87628	1.9
67.05504	100.0
67.50964	2.3
69.07073	41.4
69.56087	2.2
71.04989	5.8
71.08632	4.7
79.05494	36.3
81.03426	3.7
81.07052	83.4
83.04993	7.0
83.08604	26.5
85.06535	6.5
91.05481	30.8
93.07043	62.1
93.07471	1.4
95.04965	9.6
95.08611	77.2
96.08916	2.4
97.06533	8.6
97.10163	6.5
105.07030	43.4
107.08591	81.1
107.09319	4.6
109.06532	17.9
109.10158	94.7
110.10524	2.9
111.08089	9.6
117.07020	8.6
119.08584	64.9
121.06490	2.8
121.10139	62.7
123.08067	36.4
123.11716	29.0
125.09615	7.6
129.07010	4.7
131.08531	19.3
133.10121	46.6
135.08043	9.6
135.11690	40.2
137.09599	7.6
137.13245	5.8
139.11139	2.7
143.08563	10.9
145.10120	31.7
147.11685	38.5
149.09740	5.0
149.13269	28.9
151.11185	2.5
151.14839	2.6
157.10115	9.4
158.10858	3.8
159.11708	34.2
160.12085	2.6
161.09657	2.7
161.13284	23.3
163.11171	7.2
163.13631	2.8
163.14809	15.1
165.12724	3.6
169.10132	7.8
171.11697	6.5
173.11716	8.0
173.13257	13.6
175.14786	15.2
177.12698	6.9
177.16376	15.7
179.14305	47.3
180.14670	2.9
183.11765	4.6
185.13249	6.7
187.14790	11.1
189.16385	24.9
191.14293	3.9
191.17931	17.9
197.13234	3.2
199.14787	6.5
201.16393	15.9
203.17982	34.7
205.15901	20.4
205.19470	5.6
211.14780	2.5
213.16362	9.7
215.17934	10.6
217.15718	2.8
217.19513	29.1
219.17375	8.3
225.16496	4.6
227.17949	4.2
229.19534	5.6
243.21153	3.9
247.08485	3.4
253.19632	2.9
255.21141	3.3
257.22592	9.8
269.22705	7.5
275.19971	4.2
297.25705	2.8
331.26248	25.7
347.15579	2.9
349.27402	7.4
405.30255	3.7
405.35205	15.9
423.31018	59.7
423.36203	89.4
424.26645	4.8
424.31534	5.9
424.36551	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	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01870	2.4
55.05507	19.7
57.03419	4.0
57.07081	9.0
65.03929	1.9
67.05507	33.7
69.03434	2.0
69.07066	29.2
70.66592	3.6
71.04979	1.8
71.08623	3.7
79.05491	16.2
79.88224	1.5
81.07050	47.9
83.04948	1.4
83.08610	13.5
85.06533	3.2
88.12751	1.2
91.05473	13.7
93.07037	25.0
95.04942	1.6
95.08604	47.7
97.06532	3.4
97.10172	5.8
99.08083	3.8
105.07028	21.6
107.08594	31.1
108.08881	1.5
109.06511	18.8
109.10151	38.6
111.08090	4.4
117.07011	4.2
119.08578	27.8
121.09286	1.4
121.10140	28.0
121.11015	1.2
123.08070	42.1
123.11707	16.3
124.12046	1.4
125.09609	2.2
129.06979	2.0
131.08562	11.0
133.10133	23.5
135.08052	8.7
135.11682	15.8
137.09645	4.4
137.13225	9.3
138.07742	1.5
143.08568	6.1
143.14026	1.2
145.10124	17.1
147.08003	1.5
147.11700	14.2
149.09602	2.4
149.13263	10.3
151.14827	3.6
155.08559	2.3
156.09279	1.8
157.10143	9.6
158.10684	1.4
159.11684	18.1
161.13281	14.5
163.14845	6.2
164.67365	1.8
164.68770	1.3
166.34079	1.4
167.14317	3.0
169.10172	6.6
171.11655	13.0
172.12199	1.3
173.11865	2.1
173.13251	10.8
175.14841	8.4
177.12817	2.2
177.16379	6.5
179.14313	59.9
180.14600	3.1
182.10910	1.7
183.11697	6.2
185.13261	9.5
187.14822	8.4
189.16367	7.0
191.14305	3.1
191.17963	6.7
193.15858	2.7
195.11632	1.5
196.12431	1.5
197.13252	5.3
199.14865	5.1
201.16403	9.9
203.17975	8.6
205.15909	2.8
205.19521	1.8
209.13144	2.1
211.14799	3.7
213.16434	5.0
215.14287	2.3
215.17847	6.9
217.19504	5.3
219.17546	2.2
225.16385	3.3
227.17949	4.6
229.15993	1.6
229.19434	4.2
233.19067	3.1
239.17775	6.1
241.19467	3.5
243.20923	3.4
245.18942	1.6
247.20473	2.2
253.19447	4.7
255.20996	3.7
257.19040	3.9
267.21042	5.2
269.22574	3.7
271.20544	3.7
275.20102	3.8
281.22729	2.2
283.24100	1.9
285.22058	3.0
293.21021	1.8
297.25812	1.7
303.26721	3.6
311.27341	1.5
313.25168	1.3
331.26288	35.8
332.26703	1.9
349.27368	9.8
367.24713	2.1
367.29791	1.6
405.30133	2.6
405.35107	22.6
423.30966	100.0
423.36227	67.1
424.15381	1.6
424.31384	10.2
424.36557	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	423.3621
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03945	2.9
55.05511	16.2
57.07086	7.9
67.05505	22.3
69.03427	3.9
69.07066	19.9
69.47616	3.3
69.48029	9.9
71.04988	2.1
79.05474	12.6
81.03392	1.5
81.07052	49.2
83.04941	1.9
83.08621	15.4
85.06547	2.4
91.05487	13.3
93.07043	28.6
95.04937	1.6
95.08606	76.5
96.08914	2.6
97.02850	3.4
97.06552	3.7
97.10177	6.1
98.20800	3.6
102.87063	1.7
105.07024	26.2
107.08593	42.7
109.06529	4.6
109.10155	41.3
111.08083	13.8
111.11710	4.0
117.07037	4.7
119.08578	34.8
119.09393	2.5
121.10145	38.3
123.08101	7.7
123.11697	23.5
129.07062	2.1
131.08586	11.1
133.10098	24.2
135.08029	3.8
135.11687	28.5
137.09593	2.9
137.13246	23.7
143.08569	6.3
145.10132	20.7
147.11668	17.8
148.61269	1.7
149.09673	2.2
149.13275	20.0
151.05229	1.5
151.11118	2.8
151.14844	4.5
155.08517	2.4
156.09396	1.7
157.10136	8.1
159.11696	16.5
161.09616	3.0
161.13242	16.2
163.11227	2.5
163.14822	7.9
165.12842	1.5
169.10184	3.6
170.10938	3.6
171.11688	7.9
173.13254	10.3
175.11186	2.5
175.14845	10.9
177.12773	3.1
177.16440	10.6
179.14357	5.3
183.11693	4.1
185.13292	8.8
187.14832	9.7
189.12776	2.6
189.16356	11.3
191.17958	14.1
197.13304	2.4
199.14905	7.9
201.12666	1.7
201.16379	17.4
203.14258	3.9
203.17950	14.1
205.15909	7.0
205.19446	9.4
207.17424	3.3
209.13408	1.9
211.14900	4.4
213.16383	6.6
215.14333	1.7
215.17995	7.2
217.15939	7.7
217.19518	8.1
219.17398	8.5
225.16435	2.9
227.17937	4.6
229.19624	3.0
231.17549	3.2
231.21066	3.0
233.18933	2.1
241.19409	2.7
243.17464	3.1
243.21039	4.4
253.19484	3.0
255.21220	4.3
257.22656	3.7
259.20615	2.9
267.21237	2.7
269.22617	3.5
271.20593	4.1
271.24109	2.8
273.22174	5.0
281.22556	2.0
285.22205	3.5
297.25818	3.0
299.23645	4.6
311.27167	2.5
348.91177	1.7
349.28683	2.6
351.30823	2.2
379.33502	2.0
405.35223	20.1
406.35577	2.0
423.31641	5.9
423.36234	100.0
424.31610	2.5
424.36389	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	424.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71862	0.7
56.96568	9.2
71.31348	0.8
71.95255	1.7
74.93140	2.3
97.02837	0.8
98.97578	47.0
101.06004	0.8
102.92512	0.8
116.98618	50.7
119.01909	1.0
134.99654	42.7
140.18370	0.8
153.00732	8.8
155.99654	2.0
158.01199	1.1
172.95212	1.3
174.00763	4.1
174.97650	1.1
177.00964	2.4
179.00728	0.9
190.87408	0.9
190.91696	0.8
192.98744	3.2
194.97209	1.5
196.45221	0.7
208.88464	2.7
208.96458	1.3
210.99956	1.0
212.98309	2.6
216.98743	2.7
219.02039	4.5
220.02109	1.1
221.01671	1.1
226.89580	5.1
230.10071	1.0
230.94933	1.1
232.96648	1.0
234.99895	11.0
240.98669	5.1
248.95953	1.7
250.97780	1.5
253.01013	3.1
256.03522	1.8
258.99808	52.1
260.00089	4.4
260.99744	1.7
261.03070	5.1
262.00211	0.8
262.03214	2.3
262.99988	0.7
263.02966	3.1
264.99078	2.1
266.92645	1.4
274.97559	6.6
275.97958	1.7
277.00851	100.0
278.00989	6.4
279.00812	3.1
280.00955	0.9
282.01389	2.0
282.99960	24.4
284.00116	1.9
284.99820	1.9
292.95615	1.1
292.98358	3.6
295.01834	2.9
298.00809	2.3
298.97684	1.8
300.02539	6.9
301.01031	52.3
302.01117	5.0
303.00940	6.3
304.01196	0.9
315.96277	0.9
316.01688	2.2
316.98749	6.3
317.98758	1.8
318.03693	3.5
318.98654	1.4
319.02173	5.1
324.02792	1.0
351.49377	0.9
354.94186	0.8
359.01346	0.9
382.02478	1.1
382.95840	1.0
382.99982	3.8
383.99625	1.2
391.93347	0.8
399.97971	2.0
400.02753	1.5
400.96381	1.4
401.01358	16.6
402.01184	2.9
403.00949	1.9
407.00220	2.3
409.95673	0.9
419.01935	5.4
424.02502	3.3
425.01151	11.6
442.03506	2.5
443.02280	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	424.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05497	2.2
56.46983	0.6
56.96567	33.9
60.08156	0.5
65.03931	0.9
67.05518	3.4
68.05817	1.1
69.03427	0.6
69.07072	4.5
71.50047	0.8
71.95262	3.0
72.96029	0.9
74.97609	1.5
79.05486	3.1
81.07054	2.4
83.04983	0.7
83.08583	1.0
84.96023	0.9
86.09686	0.6
91.05497	2.9
92.82530	0.7
92.98647	0.6
93.07040	4.6
95.04981	1.3
95.08596	3.1
96.08916	0.7
97.96864	0.7
98.97573	1.2
104.10742	2.5
105.00144	0.8
105.07047	1.4
105.11069	0.7
107.08611	3.2
109.06526	0.8
109.10143	2.7
110.10468	0.9
110.97569	1.3
111.04443	1.0
115.00700	1.0
116.98589	0.6
117.44038	0.5
119.08583	1.0
120.08995	0.5
121.10159	1.3
123.01206	1.3
123.08049	1.4
127.00606	0.9
127.25797	0.6
128.98589	3.7
131.08604	0.7
134.99673	0.7
135.08072	0.8
137.02750	1.0
141.02257	1.6
145.01781	1.0
146.99649	4.7
149.01198	1.0
149.13272	0.6
151.00720	0.8
155.03821	2.5
157.01752	1.0
159.03343	0.9
159.11650	0.8
165.00677	1.3
167.02197	0.6
167.03728	0.7
169.01765	1.3
169.05367	0.8
171.03296	2.5
173.04918	0.7
173.11790	0.7
175.02766	1.4
177.04333	1.0
179.02263	0.5
179.03741	0.7
179.14302	1.7
180.14629	1.4
181.98962	0.6
183.03288	1.5
185.04860	4.0
187.02808	1.5
187.99953	0.8
189.04507	2.8
189.05891	0.5
193.03828	0.9
193.05418	1.0
195.06833	0.7
197.04863	4.8
199.02914	0.6
199.06459	2.6
200.00156	0.6
201.04370	2.2
201.07967	0.7
203.05869	6.3
205.07547	0.8
207.06992	0.9
209.04889	1.5
211.02951	0.6
211.06445	2.9
213.07990	9.1
215.05908	3.4
217.07509	2.7
219.08908	1.0
221.06920	1.0
222.02002	0.7
223.06439	0.8
223.08415	0.7
225.04424	1.0
225.08037	1.9
226.07498	0.7
227.05922	1.3
227.09485	0.7
229.07500	3.9
230.08188	0.7
231.06812	1.3
231.09038	16.1
233.08594	1.3
235.06407	1.1
236.09660	0.6
237.07990	2.3
239.05984	0.9
241.07492	2.2
243.09076	1.6
247.08522	2.2
249.04283	1.1
249.08014	1.8
250.05220	0.6
251.09561	2.6
253.07425	1.9
254.10611	1.1
255.09102	2.5
259.08569	0.8
267.05667	0.8
267.09082	2.0
269.10614	2.9
278.08203	1.6
279.08878	0.7
285.10217	0.8
296.09415	1.0
319.15857	0.8
321.17346	1.0
329.14243	32.7
330.14459	1.4
332.26700	1.5
337.16788	1.1
347.15308	100.0
348.15598	4.5
365.16364	66.5
366.16599	2.7
370.16953	8.8
383.12936	6.2
383.17456	2.9
388.17938	13.7
389.18713	0.7
401.14050	11.1
419.15125	1.2
424.15662	2.3
424.31296	4.8
424.36652	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	424.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71294	1.9
55.01869	2.0
56.96562	6.9
61.02931	3.2
69.03425	5.9
70.06577	4.6
70.52515	4.5
70.52887	4.6
79.05463	1.9
81.03407	4.9
84.04475	2.2
84.08151	13.3
85.02894	18.3
87.04440	2.3
91.05489	2.9
93.07042	4.8
95.04987	2.7
97.02884	7.0
98.07180	2.5
98.97581	6.3
103.05430	5.7
107.04933	2.6
111.04406	2.0
116.98648	4.5
118.06570	2.0
119.01978	3.0
119.04953	2.0
121.06499	8.6
123.04459	4.1
127.03922	3.9
129.10254	2.9
131.04919	3.3
137.05963	6.9
145.04951	2.8
146.99696	3.2
147.04475	2.5
148.03952	3.0
149.05971	11.4
159.04352	4.1
161.02948	2.7
161.04631	3.2
167.07036	100.0
168.07382	2.5
174.05591	2.6
177.00700	3.5
177.05450	25.5
209.08049	24.2
210.21262	2.0
216.06758	2.1
218.08090	14.0
219.01805	2.9
220.06148	3.9
223.04068	2.1
227.09116	52.4
235.03929	8.2
237.02821	6.0
244.06070	3.4
245.05219	3.0
253.04944	2.7
263.03381	2.5
263.06055	2.2
263.09656	5.0
277.04965	3.8
309.08621	2.4
364.09854	2.2
392.09808	15.7
424.12012	22.2
425.15079	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	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
55.05500	1.4
65.03931	1.7
67.05505	14.0
69.03432	3.7
69.07085	2.0
69.25877	14.0
70.06606	2.0
72.08176	2.0
77.49654	1.2
79.05490	6.8
81.07063	5.5
84.04511	2.8
84.08140	1.6
85.02903	5.4
86.09689	1.6
91.05507	3.4
93.07040	18.2
95.04970	28.1
95.08606	3.9
97.02901	2.5
97.06530	3.6
99.00137	1.4
99.04456	2.6
101.05981	3.3
105.07024	5.3
107.08611	19.4
109.06498	4.0
119.08581	10.0
121.06512	3.8
121.10146	35.1
121.10923	1.5
123.08107	2.3
127.07593	1.5
130.05040	1.5
131.08626	1.3
135.08072	5.5
135.11708	8.3
145.10123	14.9
149.09578	1.7
153.09164	3.3
162.55652	1.4
163.11185	40.8
181.12222	34.5
191.10672	11.4
194.50835	1.2
209.11732	15.2
222.10593	1.3
227.12782	100.0
245.13812	1.5
424.26895	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	424.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
59.75563	0.8
61.02939	1.0
65.03945	1.8
67.05499	9.6
69.03419	1.8
69.07056	1.5
69.92141	4.1
70.06601	1.0
74.76171	0.8
79.05486	4.3
81.03445	0.9
81.07033	5.5
83.04977	1.5
84.04498	1.7
84.32908	0.9
85.02901	2.8
85.06537	1.7
87.32751	0.9
91.05489	1.8
93.07046	11.5
95.04962	19.7
95.08624	2.0
97.02903	1.5
97.06525	3.2
99.04443	3.1
101.06015	2.1
105.07028	5.1
105.62926	0.9
107.08582	14.3
109.06504	1.8
111.08035	0.9
117.07014	1.2
119.08598	7.3
121.06528	4.3
121.10139	24.8
123.08057	1.2
127.07555	1.6
129.05466	1.3
135.08066	3.3
135.11690	6.0
140.10826	0.8
145.10118	10.7
147.11665	1.4
153.09131	2.5
158.70763	0.7
163.11186	30.8
163.12566	1.6
165.12753	1.2
173.09657	1.4
181.12236	26.7
182.12645	1.0
183.10153	1.7
191.10669	10.9
205.08701	1.0
209.11720	15.3
227.12778	100.0
245.13889	2.1
248.50058	1.1
344.02231	0.9
424.26700	2.9
425.17361	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	424.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
55.05513	10.2
56.96566	32.7
57.03441	10.6
57.07079	24.0
61.02925	27.6
67.05505	28.9
68.05824	2.6
69.03430	12.1
69.07055	8.7
69.21143	4.0
69.21548	17.9
71.04990	2.6
71.08633	18.4
73.02915	22.5
77.90646	1.9
79.05452	3.3
79.64211	1.7
81.03410	7.9
81.07060	22.5
82.07397	2.4
83.04941	1.9
83.08623	10.0
84.08131	2.0
84.96014	3.3
85.02914	26.4
85.06539	2.6
85.10188	11.4
89.06028	8.9
91.03964	18.1
91.05488	5.8
93.07057	8.7
95.08600	22.6
96.08942	5.8
97.02892	23.7
97.10175	2.4
98.21568	4.5
98.97583	16.5
99.04465	4.1
101.02383	6.0
105.07021	8.4
107.08587	11.9
108.08903	3.4
109.02862	5.1
109.10156	29.1
110.10502	4.3
110.97598	3.9
116.98645	10.6
117.02095	1.9
119.01790	3.3
119.08571	11.7
120.08921	3.7
121.10158	7.2
122.10497	4.1
123.08101	4.8
123.11713	5.7
127.03935	8.6
128.98602	7.3
131.00143	3.8
133.08606	5.2
133.10172	4.6
133.32603	1.7
134.10471	2.4
134.99649	8.2
135.11688	5.5
136.11996	2.6
137.13263	2.5
143.00153	2.5
145.04956	2.9
145.10135	4.9
146.10484	3.0
146.99658	6.1
147.03162	3.4
147.11679	3.6
149.01237	4.3
149.02322	3.7
149.13274	2.6
150.13589	2.1
157.10118	3.1
158.99670	6.2
159.11684	4.2
160.12035	4.0
161.01224	5.3
161.13336	2.8
162.13582	3.0
163.14790	3.2
165.00792	2.3
170.99706	5.2
171.11757	2.3
173.04948	3.5
173.11810	2.7
173.13298	3.2
177.00566	8.1
177.11266	2.4
177.16489	2.5
179.14265	4.7
180.14619	3.1
183.06641	4.1
185.13263	2.3
187.02684	2.0
187.14856	2.5
189.00638	9.7
189.16377	2.3
191.03922	5.9
192.18320	3.0
199.06384	13.7
200.04530	3.7
201.00764	5.7
201.07973	7.5
202.54671	3.8
203.05875	3.7
203.09726	2.4
211.06485	6.7
212.02240	2.6
213.16499	3.2
215.07518	9.1
215.17911	2.4
215.57765	2.6
217.07475	26.6
217.19545	1.9
218.07750	3.0
219.01801	6.1
219.05237	6.6
219.09032	7.3
219.55492	2.1
220.06003	6.0
224.08066	8.5
228.05766	8.1
229.07483	100.0
229.14394	4.4
230.07832	5.6
235.58760	2.9
237.02910	3.8
239.14888	3.9
239.23683	3.8
239.56551	3.6
240.09145	2.9
241.04735	8.8
247.08548	94.3
248.09012	7.1
250.05444	4.3
252.09145	14.4
261.02902	2.7
268.08865	9.3
270.10178	8.3
271.08261	2.7
279.03998	1.9
286.22754	2.2
296.10181	62.6
296.60248	15.0
305.10635	14.6
305.60922	3.2
313.27429	21.6
314.27338	2.7
316.61539	5.2
321.05017	5.2
332.26825	3.3
338.16696	21.9
338.66891	5.3
343.19455	20.4
343.69861	5.6
347.17188	10.8
347.67465	3.0
358.67981	7.9
359.18082	3.5
406.35352	8.3
407.33618	4.2
413.57526	2.4
424.22238	22.6
424.31326	14.1
424.36560	32.2
424.57227	2.5
424.72418	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	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14664	2.9
55.05513	23.0
56.96579	3.4
57.03402	2.7
59.99685	2.7
61.49400	2.8
67.05516	7.1
68.76186	2.8
69.02448	2.7
69.03414	7.6
69.07060	5.9
70.06582	9.0
71.04983	3.4
71.16010	4.8
72.08157	6.9
72.41081	2.8
75.37347	2.8
79.05492	8.9
81.07040	8.0
83.04971	12.9
83.08611	11.5
84.04501	4.1
84.08153	20.5
84.37224	3.2
85.02899	10.4
85.06565	3.3
86.09689	13.0
91.05501	6.1
93.07022	17.7
95.04978	10.0
95.08593	8.6
97.06513	6.6
98.97580	9.6
99.04457	5.5
105.07043	5.4
107.08597	22.8
109.06510	8.8
109.10155	10.3
109.12846	2.8
111.08094	7.1
115.07556	6.2
116.98604	6.1
119.04943	3.6
119.08591	6.1
120.08101	13.5
121.06489	4.3
121.10146	49.4
123.11707	3.8
125.09647	4.4
128.27977	2.6
128.98683	3.2
129.10245	4.5
130.06546	6.0
131.03914	2.7
131.04851	3.5
131.08536	5.2
133.10149	11.2
133.80449	2.8
136.07594	12.1
137.05760	3.2
139.03926	5.0
147.04446	8.6
147.11639	3.7
149.05972	3.1
151.11171	16.4
153.09068	7.2
158.99648	4.9
163.14842	13.2
164.07076	9.1
167.14305	19.1
173.13220	8.6
177.00641	3.9
191.14333	12.4
209.15366	100.0
210.15688	3.4
221.07550	3.9
227.16464	8.7
279.08914	3.2
299.04385	10.6
393.40695	3.8
395.55634	3.3
414.98178	3.2
424.16333	6.2
425.08139	10.8
425.18170	15.0
441.14581	7.4
441.32083	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	424.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56419	0.2
54.60836	0.3
55.05503	0.9
56.05021	0.4
56.65245	0.2
56.96551	0.5
58.06592	1.1
59.05003	0.3
59.07363	0.3
60.08163	11.3
61.60055	0.2
67.05491	1.0
68.05841	0.4
69.07070	1.1
69.82931	0.7
69.83341	0.7
71.07371	3.5
71.79346	0.2
79.05474	0.6
81.07050	1.7
82.07359	0.4
83.08590	0.7
86.09705	27.1
91.05463	0.9
93.07034	1.0
95.08627	1.1
96.08920	0.5
97.10177	0.6
98.98472	3.1
104.10739	100.0
105.07021	0.7
105.11068	0.9
107.08580	1.1
109.06512	0.6
109.10154	1.0
110.06863	0.3
110.10480	0.3
119.08589	0.7
121.10120	0.6
122.10447	0.3
123.08068	1.9
124.08420	0.9
125.00000	22.0
133.10124	0.6
135.08089	0.4
135.11620	0.3
142.55736	0.2
145.10095	0.4
147.11691	0.4
159.11694	0.3
160.12067	0.3
163.14748	0.3
175.14775	0.3
179.14304	1.7
180.14594	1.5
184.07338	23.5
188.49625	0.3
227.05695	0.3
256.44843	0.2
272.17276	0.2
299.57355	0.3
332.26685	1.6
350.27475	0.5
401.41830	0.3
406.30518	0.4
424.31763	21.9
424.36310	0.8
425.32178	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	425.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44678	0.4
56.74680	0.4
56.96564	2.4
61.02302	0.4
61.11422	0.4
67.05499	0.5
69.03416	1.1
70.06574	1.6
70.85737	0.9
70.98087	0.5
72.08118	0.5
84.04443	0.8
84.08139	1.0
85.02912	1.1
86.09677	0.5
91.05499	2.4
93.07042	0.5
94.06547	0.4
96.08121	0.7
97.77526	0.4
98.97559	1.3
100.26791	0.4
100.41568	0.5
107.08551	0.5
108.08125	0.5
109.02898	0.4
110.09658	1.5
116.98589	0.7
120.08076	1.9
124.07578	0.5
128.98569	1.1
129.04486	0.8
134.99644	0.6
136.07578	2.3
138.09142	4.0
146.99608	0.5
147.05511	0.8
150.05458	0.7
159.08015	0.5
161.01173	0.5
164.07060	2.6
166.08644	4.9
177.06557	0.5
182.08099	1.1
188.08180	0.9
196.04323	0.5
203.97307	1.4
210.15474	0.5
219.01552	0.6
221.98383	3.0
223.02748	2.0
237.02768	1.2
239.13809	0.6
241.03810	0.6
245.09225	2.1
245.12816	0.7
255.05348	1.6
258.04218	0.5
263.05209	1.2
263.10791	0.8
263.13864	4.8
269.03305	2.7
273.06555	0.7
281.03442	2.7
284.02100	0.9
287.13654	0.7
288.19394	0.5
293.09888	0.8
299.04404	9.6
311.09772	1.1
317.05292	0.7
407.12674	4.4
425.08197	15.1
425.13995	100.0
426.08676	0.8
426.14279	3.4
443.08289	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	425.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25620	1.4
67.34646	1.3
69.83424	6.0
69.83837	4.0
70.06593	1.4
77.00891	1.9
81.03410	1.7
88.76003	1.6
89.00906	1.7
92.01382	1.4
97.02897	1.9
98.97575	4.7
101.00871	12.7
101.42200	1.4
109.02908	1.4
113.00898	2.6
116.98623	2.3
119.01919	40.5
127.02459	2.3
131.01920	11.4
133.03488	2.0
137.02959	3.5
143.01917	33.7
145.03467	15.3
147.05066	2.0
149.02992	2.3
155.01918	14.0
157.03497	12.4
158.99731	2.1
161.02965	70.7
163.04616	1.9
166.28539	1.4
167.01935	5.6
169.03461	3.9
169.40662	1.6
171.05052	2.7
173.02942	30.4
175.04506	7.2
177.00792	2.5
179.01965	2.8
185.02950	48.0
186.03065	1.8
187.04498	5.3
191.02339	1.9
191.04033	5.5
197.02930	16.1
203.03992	23.5
215.03970	11.1
219.01802	3.2
220.24440	1.5
221.05110	12.7
227.03947	7.4
239.06169	12.6
245.05074	100.0
246.05377	5.0
251.04492	1.8
257.05118	5.7
263.06155	58.0
275.06128	42.8
291.09262	3.4
293.07147	3.9
305.07211	13.3
309.08661	1.6
321.04633	1.9
335.08148	4.6
365.09326	10.5
383.10489	2.3
425.11295	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	425.1417
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
70.06580	1.0
76.58739	0.8
78.46516	0.9
84.04505	1.4
86.09688	1.4
91.05486	2.6
98.20722	1.5
120.08165	1.0
132.10132	1.6
136.07578	3.1
137.07867	1.5
173.78522	0.9
176.44139	1.0
191.06946	1.0
197.83182	1.1
211.99429	0.9
215.65034	0.8
293.09845	1.9
342.09866	0.8
425.14035	100.0
426.14377	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	425.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02405	0.7
53.03944	2.2
55.01865	2.3
55.05519	6.3
57.03406	0.8
57.07054	0.9
58.79794	0.8
65.03932	1.5
65.11479	0.7
65.53339	0.7
67.05189	1.2
67.05508	15.2
69.03432	1.4
69.07066	4.7
69.21285	8.4
69.21608	0.7
71.01346	1.3
71.04997	0.9
76.50633	0.7
79.05497	33.0
81.03398	0.8
81.07059	8.7
83.04977	1.3
83.08633	2.5
85.06537	0.9
91.05486	16.1
93.07046	16.1
95.04974	5.7
95.08614	10.2
97.06522	1.9
97.10185	3.6
98.21576	1.5
102.29322	0.7
105.04551	0.9
105.07038	8.8
107.04958	100.0
107.08595	13.5
108.05254	2.2
109.06521	2.3
109.10160	14.4
109.10867	1.2
111.04479	0.8
111.08040	0.9
115.05465	2.3
117.07028	4.0
119.08588	17.3
121.06506	1.8
121.10143	5.3
123.08065	3.0
123.11671	1.6
125.09641	3.3
128.06212	0.9
129.07027	2.7
131.08582	3.9
133.10132	4.8
133.10991	0.8
135.08057	50.8
135.11676	3.2
136.08376	1.2
137.09612	9.1
137.13240	0.9
141.07011	1.0
143.08572	2.6
145.10158	5.5
147.08038	6.2
147.11703	3.1
149.09628	2.6
149.13318	1.1
155.10684	2.3
157.10130	2.8
159.11740	2.7
161.09682	1.8
161.13251	2.1
163.11188	1.3
165.09120	4.0
169.10155	1.5
171.11725	3.0
173.11752	12.5
173.13219	1.4
175.11227	0.9
175.14847	1.2
181.12148	0.9
183.10214	1.7
183.11713	1.8
185.13292	1.1
187.14818	1.5
189.11221	1.8
197.13171	1.0
211.14865	0.9
219.17337	0.7
227.17944	0.9
237.16376	1.6
245.19087	1.9
255.17410	1.5
260.34818	0.8
273.18506	16.6
291.16254	1.0
291.19547	20.5
292.20114	0.9
309.20630	4.7
353.19058	2.5
361.19910	1.0
389.19522	1.9
389.31854	1.8
403.85370	0.7
407.20831	2.8
407.33194	3.1
425.26239	1.2
425.34280	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	425.3413
Annotation	Maragenin II
Peak:m/z	Relative Intensity
53.03928	1.5
55.01858	2.7
55.05510	14.6
57.03427	2.3
57.07066	5.4
59.04988	5.8
67.05502	22.9
68.10865	1.2
69.03421	1.9
69.07065	25.8
71.04980	3.4
71.08617	1.5
71.49860	2.1
79.05496	23.8
81.03410	2.7
81.07054	43.1
83.04963	4.2
83.08618	11.3
85.02902	1.4
85.06549	2.1
91.05479	25.1
93.07042	34.4
95.04973	5.9
95.08602	43.9
97.06533	31.3
97.10162	5.6
98.97575	1.6
100.11272	3.0
102.96004	1.4
103.91732	1.5
105.07029	35.9
107.04960	4.2
107.08591	47.8
109.06508	4.4
109.10155	37.3
111.08099	3.9
115.05536	1.3
117.07011	12.2
119.08582	48.4
121.06480	2.2
121.10141	29.6
123.04337	1.7
123.08070	3.7
123.11700	16.0
125.09660	2.7
128.06194	2.9
129.07042	9.8
131.08565	26.3
133.06514	2.6
133.10132	29.2
135.08087	1.9
135.11694	14.4
137.13254	6.9
141.06979	5.9
142.07777	4.7
143.08571	19.3
144.09349	1.7
145.10114	28.4
147.08032	1.7
147.11671	22.9
149.05937	1.4
149.09627	3.6
149.13271	12.1
150.12798	3.2
151.11240	2.8
151.14833	3.5
153.07001	2.9
154.07788	2.7
155.08591	13.4
156.09334	4.4
157.10129	20.9
158.10976	1.9
159.11682	28.3
160.12282	1.5
161.05933	2.2
161.09593	1.8
161.13264	22.8
163.03885	11.2
163.11194	2.7
163.14813	13.2
165.12750	6.0
167.08591	3.0
167.14255	2.0
168.09335	3.2
169.10152	21.0
170.10965	1.9
171.11679	20.4
172.12422	1.7
173.09544	1.6
173.13275	25.1
175.14813	15.0
177.12756	3.0
177.16376	5.8
179.14275	5.1
181.10158	4.3
181.15868	4.0
182.10875	1.6
183.11696	18.3
184.12532	2.1
185.13329	10.0
187.14828	14.1
189.09148	2.7
189.16370	11.0
191.10687	2.4
191.14314	10.1
191.17892	6.3
193.10185	3.1
193.15868	3.0
194.10693	1.7
195.11719	7.1
196.12471	2.3
197.13242	12.7
199.07576	2.9
199.14790	16.9
201.09146	3.2
201.16367	13.4
203.10602	1.6
203.14372	2.2
203.17964	7.9
205.15872	6.2
209.13264	4.6
210.13957	2.9
211.14821	11.3
212.15666	1.7
213.16380	16.9
215.17952	8.7
217.15939	4.9
217.19560	2.4
219.17426	4.0
221.13379	1.6
222.14059	1.6
223.14809	2.7
224.15488	1.5
225.16371	41.5
226.16943	1.6
227.17961	12.4
229.15875	3.1
229.19540	5.6
231.17513	8.6
237.16434	4.2
239.17944	14.9
241.15952	1.9
241.19466	13.4
243.17451	51.9
243.21188	2.7
245.18999	7.2
247.20535	1.7
251.18011	3.8
253.19559	9.7
253.72403	1.5
255.17403	2.9
255.21161	3.2
257.18997	12.3
259.09622	13.2
259.20490	7.9
263.18033	2.8
265.19553	3.4
267.21017	2.2
269.22571	1.7
271.20557	6.5
277.19168	1.4
279.21191	2.6
281.22473	3.6
283.20621	4.1
285.22089	1.7
287.71884	1.4
297.22244	1.5
305.22638	1.5
311.23816	1.8
319.24579	1.9
322.02148	1.5
333.25922	2.5
335.27420	2.3
337.25293	2.0
337.29074	3.6
340.05713	1.5
353.28323	2.4
377.32034	3.0
379.33624	8.9
389.31979	21.8
395.33093	3.6
397.34671	7.2
407.33084	76.3
408.21579	1.6
408.33524	2.2
425.24884	8.2
425.34158	100.0
426.34299	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03939	1.5
55.05508	7.2
55.64546	1.2
57.07071	2.3
65.03944	2.0
67.05508	32.1
69.07063	18.7
70.17868	4.0
72.50257	1.4
79.05492	8.5
81.07056	34.7
83.08591	6.7
83.10183	1.4
84.80247	1.2
91.05490	10.0
93.07050	20.7
95.08611	45.5
97.06542	1.6
97.10191	2.8
99.64384	1.4
105.07038	20.7
107.08593	35.1
109.10159	100.0
111.11717	1.3
116.60030	1.3
117.07003	1.7
119.08579	25.2
121.10148	25.7
123.08089	2.0
123.11702	13.3
124.47566	1.4
131.08568	5.7
133.10146	22.0
135.11690	25.5
137.13246	5.2
145.10150	6.0
147.11707	20.9
149.13264	11.5
159.11714	9.4
161.13257	19.4
163.14835	11.7
171.11722	1.6
173.13237	6.9
175.14824	6.7
177.16382	3.4
179.14359	3.9
185.13353	1.6
186.14023	1.4
187.14838	6.4
189.16382	15.3
191.17967	15.3
199.14903	3.2
201.16414	6.4
203.17946	22.1
205.15843	2.2
205.19531	3.4
207.17474	10.6
215.17984	12.3
217.19524	17.5
219.21135	1.8
227.17935	3.2
229.19577	3.3
231.21107	2.6
233.18877	2.3
241.19543	2.8
243.21185	2.0
245.22668	3.8
255.21170	2.3
269.22665	2.0
271.24240	2.9
283.24115	1.7
299.47150	1.4
347.32864	1.6
407.36676	19.9
425.37787	41.2
426.38266	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.78399	2.2
53.03944	2.4
55.05511	15.5
57.07070	8.0
60.36699	2.3
67.05500	30.2
69.07076	20.9
69.59813	4.3
69.60212	11.4
79.05493	17.2
81.07056	65.9
83.08621	12.9
84.63630	2.3
91.05496	14.4
93.07040	37.3
95.08609	100.0
97.06538	5.0
97.10169	7.9
105.07023	27.3
107.08591	59.0
109.10161	71.3
111.08076	6.0
111.08823	1.9
111.11742	4.3
119.08578	31.7
121.10151	43.1
123.08097	3.6
123.11701	34.9
125.09661	8.7
127.11072	3.7
131.08620	7.2
133.10133	27.0
135.11705	36.1
137.13251	25.6
145.10132	12.4
147.11684	27.9
149.13261	25.7
151.14841	5.2
159.11690	17.4
161.13237	20.2
163.14812	21.9
173.13298	8.0
175.14798	12.7
177.16353	8.0
179.14360	5.4
187.14842	10.4
189.16376	15.8
191.17932	32.9
201.16426	11.4
203.17986	24.9
205.15891	4.0
205.19495	16.3
207.17436	5.7
213.16512	3.2
215.17947	9.6
217.19496	22.3
219.17477	4.2
219.21159	5.1
227.18082	2.9
229.19485	4.1
231.21130	3.3
233.18906	3.7
244.39723	2.2
255.20694	2.6
257.22736	4.1
269.22549	2.6
287.33530	2.2
299.27356	3.1
407.36670	17.2
425.37778	62.3
426.38153	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.89602	4.4
55.05512	13.8
57.07064	10.5
67.05504	27.2
69.07067	27.1
79.05495	13.5
81.07056	49.6
83.08617	18.1
91.05474	10.6
93.07034	43.1
95.08609	100.0
97.10184	12.3
105.07023	31.1
107.08590	69.9
109.10157	92.1
119.08578	51.0
121.10148	69.4
123.11709	41.0
131.08611	12.2
133.10144	65.1
135.11691	68.3
137.13264	14.7
143.08633	5.6
145.10126	20.7
147.11696	38.9
149.13245	27.4
157.10104	7.3
159.11703	16.7
161.13232	32.5
163.14822	24.8
173.13232	9.9
175.14803	21.3
177.16408	9.4
187.14818	10.2
189.16388	24.6
191.17938	28.6
201.16470	5.9
203.17924	25.3
205.19559	8.5
213.11731	5.2
215.17993	10.0
217.19487	22.0
229.11969	7.5
229.19606	7.0
259.24252	6.7
271.24200	7.4
285.25916	6.6
407.36844	30.3
425.37869	74.0
426.38159	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05501	18.6
57.03251	6.4
57.07086	6.7
67.05511	37.0
69.07075	36.8
70.56439	21.4
79.05480	19.7
81.07053	69.8
83.08607	10.3
91.05474	16.6
93.07044	46.9
94.58600	5.8
95.08608	83.0
103.04515	5.8
105.07019	34.8
107.08592	61.4
109.10148	86.9
117.07053	8.2
119.08582	71.2
121.10143	55.8
123.11697	38.3
125.07301	6.2
131.08611	18.5
133.10123	52.4
135.11694	47.5
137.13255	13.1
143.08557	8.5
145.10100	22.3
147.11708	16.8
149.13274	17.5
157.10214	8.3
159.11676	23.5
161.13240	22.8
163.14862	19.5
171.11729	11.2
173.13217	29.6
175.14888	20.5
177.16249	8.3
187.14764	20.0
189.16379	11.3
191.17934	13.7
199.14705	8.2
201.16374	14.1
203.17984	15.6
213.16469	10.6
214.75812	7.8
215.17867	10.4
229.19495	13.6
231.51035	6.5
241.19565	16.0
271.24069	13.6
273.25632	6.2
283.24115	8.5
285.25845	34.5
313.25110	8.4
407.36615	57.7
425.37823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.76681	6.6
55.05499	20.5
57.07071	12.6
58.87532	6.4
67.05494	20.4
67.17207	6.5
69.07071	54.2
69.81296	15.1
69.81699	35.7
79.05511	11.6
81.07059	65.0
82.00416	5.7
83.08616	22.3
91.05466	14.1
93.07043	33.8
95.08618	100.0
97.10184	16.5
105.07036	26.2
107.08591	74.9
109.10160	64.8
111.11723	10.1
119.08611	41.8
121.10146	58.0
123.11724	39.5
131.08554	11.1
133.10088	31.9
135.08122	7.5
135.11676	55.0
137.13266	22.3
138.21194	8.2
145.10135	19.3
147.11629	31.3
149.13293	35.0
150.59204	5.7
159.11710	19.7
161.13283	19.7
163.14833	18.7
169.04066	7.4
173.13295	19.8
175.14810	15.8
177.16403	15.4
187.14790	15.2
189.16373	22.9
191.17949	26.2
199.14832	7.3
201.16464	10.8
203.18025	25.1
205.19525	15.4
207.17419	20.1
211.00053	6.7
213.16316	8.3
215.17926	17.9
217.19594	19.2
229.19577	14.1
233.18930	6.9
241.19533	9.2
257.22617	7.6
269.22464	10.8
271.24164	6.7
315.26746	9.0
407.36783	37.4
425.37854	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03927	1.2
55.05513	11.8
57.07081	10.4
57.47735	0.9
67.05505	25.7
69.07069	21.9
69.82059	5.9
71.04994	1.7
71.08624	1.4
71.13481	1.0
79.05493	13.7
81.07055	73.8
82.07374	1.5
83.08617	11.7
85.91238	1.1
91.05485	11.8
93.07043	25.4
95.04977	1.6
95.08607	100.0
96.08957	2.3
97.10182	7.7
105.07024	21.9
107.08597	32.4
109.10155	39.4
111.08057	1.4
111.11726	3.9
117.07027	3.3
119.08583	22.5
121.10144	25.7
123.11712	25.4
125.09538	1.4
125.13300	1.4
129.07007	2.8
131.08572	11.1
133.10117	17.7
135.11688	22.0
137.13257	44.5
138.13618	1.9
142.07841	1.3
143.08563	4.5
144.09288	1.2
145.10124	17.0
147.11697	14.8
149.13258	14.8
151.14844	3.8
157.10120	6.4
159.11703	12.3
161.13261	12.0
163.11192	1.2
163.14777	7.5
167.14290	1.3
171.11668	7.6
173.13287	8.4
175.14818	8.0
177.16409	7.8
179.14375	1.8
179.18034	2.7
185.13307	7.0
187.14854	10.8
189.16397	9.2
191.17952	11.0
199.14853	5.5
199.16551	1.5
201.16380	13.2
203.17943	7.8
205.15868	2.8
205.19366	5.4
207.17525	2.2
213.16364	8.1
215.17943	10.5
217.19531	10.2
219.17487	4.4
220.06749	1.3
227.18005	6.4
229.19406	5.5
231.17477	2.7
231.21101	2.6
233.19061	2.7
241.19566	2.3
243.21133	2.8
245.18982	3.8
255.21124	6.5
257.22580	6.3
269.22601	3.4
271.24167	2.5
273.22189	2.6
283.24240	3.9
285.25787	1.7
287.23770	1.5
301.25339	1.3
351.30447	1.2
395.36810	1.5
397.38470	1.2
407.32581	1.5
407.36856	17.7
408.37112	1.3
425.21622	5.3
425.37885	36.0
426.38187	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03942	3.2
55.05508	20.2
57.07061	7.4
67.05500	37.4
69.07073	40.0
69.23022	25.4
69.23446	10.2
79.05488	20.2
81.06603	6.8
81.07055	88.6
83.08618	20.7
87.47211	2.9
87.71335	3.0
91.05470	18.2
93.07041	49.1
95.08611	100.0
97.06515	6.7
97.10159	13.9
105.07024	45.4
107.08590	92.1
109.06541	3.1
109.10157	99.5
111.08116	5.3
111.11756	5.7
113.37276	3.6
119.08582	48.5
121.10146	57.6
123.08077	5.0
123.11705	42.2
125.09615	5.6
131.08569	12.7
133.10126	45.8
135.11697	55.6
137.12485	2.7
137.13277	28.0
145.10085	19.0
145.24734	3.7
147.11697	43.8
149.13266	39.6
157.10147	5.1
158.06290	2.8
159.11682	20.4
161.13249	44.8
163.14804	31.0
171.11671	5.8
173.13263	9.8
175.14856	22.3
177.16376	12.9
179.14320	9.7
185.13312	4.8
187.14806	7.2
189.16382	28.9
191.17929	47.2
199.14813	5.3
201.16324	16.3
203.17911	38.8
205.19548	14.7
207.17392	12.3
215.17935	13.5
217.19516	44.3
219.17494	4.4
219.21057	4.1
229.19534	6.4
233.19060	4.9
243.20877	3.5
245.22687	7.0
255.21144	3.9
271.24088	5.8
407.36746	22.8
425.32343	6.0
425.37747	78.8
426.38071	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	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99400	1.8
53.03949	3.1
55.05508	19.3
57.07065	7.7
65.03945	1.8
67.05510	33.4
67.14055	1.9
69.03445	2.5
69.07072	26.9
69.75302	9.9
71.05022	2.3
72.93473	1.8
79.05499	21.6
81.07060	66.2
83.08615	19.0
91.05479	18.8
93.06503	3.3
93.07055	54.8
95.05016	3.2
95.08607	100.0
96.08951	2.8
97.06525	9.0
97.10183	10.5
105.07030	35.2
107.08595	76.8
109.10159	81.7
111.08079	2.8
111.11709	5.3
117.03587	1.9
117.07011	3.3
119.08580	50.6
121.10148	65.1
123.08044	2.4
123.11707	43.5
125.09622	5.6
127.11227	4.3
131.08545	10.1
133.10133	42.3
135.10086	2.0
135.11699	51.6
137.09579	2.3
137.13255	16.6
143.08568	3.4
145.10130	13.2
147.11691	41.0
149.13266	42.1
151.11200	1.9
151.14784	3.0
152.66153	1.7
157.10181	2.3
159.11703	19.9
161.13266	34.8
163.11218	2.6
163.14824	22.8
165.16359	2.5
173.13245	12.4
175.14818	16.5
177.16461	11.5
179.14243	5.4
185.13281	2.6
187.14822	12.0
189.16383	29.2
191.17952	55.1
199.14879	2.7
201.16414	18.9
203.17984	33.9
205.15846	2.6
205.19502	15.1
207.17459	6.6
213.16365	2.9
213.19191	2.3
215.17967	13.5
217.19548	32.9
218.19972	2.2
219.17409	3.2
219.21072	8.0
229.19470	4.7
231.21062	5.6
233.19077	3.9
243.21080	2.9
255.21176	3.1
257.22809	2.5
259.24109	3.1
271.24277	4.4
273.21945	2.7
283.24237	2.7
284.82214	2.3
285.25748	2.6
311.27087	2.4
327.44647	2.3
341.32010	2.4
407.36688	21.6
408.36795	3.3
425.31848	5.3
425.37756	57.1
426.38104	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.73426	1.3
53.03930	2.5
55.05509	18.2
57.07061	6.7
61.99026	1.4
65.03937	1.5
67.05505	30.7
69.07071	26.3
70.01761	7.3
71.08620	2.8
79.05494	18.7
81.07058	72.1
83.04964	2.0
83.08622	16.0
91.05480	15.0
93.07047	47.1
95.04955	4.1
95.08607	100.0
96.08958	2.5
97.06526	6.4
97.10155	6.7
105.06331	2.2
105.07032	36.5
107.08595	77.9
109.06490	3.2
109.10155	92.5
110.62479	1.4
111.08047	1.8
111.11697	4.4
117.06981	2.4
119.08585	45.9
121.10142	55.7
123.08065	3.1
123.11715	33.1
125.09621	5.5
127.11210	2.6
131.08539	7.3
133.10139	36.8
134.10497	2.3
135.11685	53.7
136.11992	1.6
137.13248	17.7
143.08517	2.2
144.09322	1.8
145.10109	14.2
147.11697	36.4
149.13257	40.3
151.11137	2.4
151.14824	3.0
157.10167	3.1
159.11691	15.5
161.13257	32.9
162.13719	1.8
163.13496	1.5
163.14833	26.9
165.12822	1.5
165.16386	2.1
171.11737	2.8
173.13269	10.0
174.14108	2.0
175.14822	17.5
177.16377	13.4
179.14305	7.3
179.18109	1.7
187.14827	7.6
189.16396	25.3
191.14384	1.8
191.17955	45.0
192.18230	1.9
199.14864	2.1
201.16380	13.0
203.17963	31.4
205.19518	12.2
207.17416	6.2
213.16454	2.3
215.17957	10.7
217.17505	3.1
217.19498	39.4
219.17554	2.4
219.21062	5.8
221.19035	3.7
227.17834	2.4
229.19498	4.9
231.21103	4.4
233.18993	5.0
235.20569	4.1
241.19388	1.7
243.21059	4.1
245.22658	4.7
255.20958	1.8
257.22647	6.8
259.24240	4.8
271.24246	3.7
285.25760	3.9
297.25751	2.5
299.27600	2.8
351.30606	2.1
369.31964	1.7
389.60385	1.6
393.50616	1.7
407.36810	21.6
425.32104	4.2
425.37708	76.1
426.38046	3.4
427.87738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03946	2.4
53.53699	1.5
55.05512	16.8
57.07069	6.0
65.03927	2.9
67.05505	29.4
69.03439	2.7
69.07069	32.8
71.05009	1.9
71.08648	2.9
71.20836	3.4
79.05492	19.1
81.07056	76.5
81.07540	3.7
83.08623	13.0
91.05483	15.8
93.07048	50.1
95.04961	3.6
95.08607	100.0
97.06516	7.8
97.10166	12.7
99.08066	1.8
105.07025	34.2
105.45002	1.5
107.08594	73.3
109.06543	2.9
109.10157	72.1
111.08087	3.5
111.11719	5.9
117.07024	3.1
119.08582	52.6
121.10139	68.9
122.10465	2.4
123.08083	2.4
123.11695	40.1
125.09628	3.9
127.11183	3.0
131.08583	8.5
133.10138	36.2
135.03026	1.8
135.08099	2.9
135.11690	51.7
136.12085	1.6
137.13268	17.8
143.08562	2.7
145.10115	17.9
147.10539	2.7
147.11694	35.3
148.12004	3.0
149.13252	41.3
150.96950	1.6
151.11140	2.5
151.14835	4.0
157.10094	3.4
159.11703	17.3
161.06604	1.8
161.13264	32.2
163.14842	26.9
171.11700	3.1
173.13260	11.6
175.14847	16.7
177.16374	10.8
179.14333	2.7
185.13283	3.2
187.14857	9.2
189.16365	28.3
191.14320	2.2
191.17937	52.5
193.19431	2.3
199.14847	2.6
201.16396	14.8
203.17950	27.8
205.15839	3.2
205.19525	8.9
207.17500	5.6
213.16455	2.9
215.17949	11.9
217.19507	26.9
219.17465	2.7
219.21104	6.3
221.19081	2.0
227.17871	2.4
229.19548	4.5
230.09109	1.5
231.21071	6.7
233.19087	2.4
235.20544	1.8
241.19496	2.5
243.20984	3.7
245.22630	2.8
255.21062	2.4
257.22665	4.1
259.24222	2.0
261.50577	1.7
271.24115	2.4
273.26077	1.6
285.25485	1.6
341.31863	2.1
351.30411	2.1
365.31897	2.4
367.13824	1.7
407.31873	1.8
407.36755	24.2
425.37909	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05515	21.6
56.45966	1.6
56.49426	1.7
56.96553	6.5
57.03416	3.9
57.07072	12.9
61.02916	5.8
61.12449	2.0
67.05506	33.6
69.03435	3.8
69.07069	32.1
71.04996	2.4
71.08635	4.7
71.34261	2.3
71.34638	1.7
73.02901	2.8
75.68412	2.4
79.05495	19.8
81.07056	67.1
83.05022	2.1
83.08621	14.3
85.02885	4.4
85.10165	2.2
87.92890	2.3
89.63393	1.8
91.05471	14.6
93.07044	49.7
95.04958	2.1
95.08611	100.0
97.02913	4.0
97.06530	5.1
97.10136	9.1
98.94230	1.7
98.97587	2.5
105.06332	2.4
105.07037	38.9
107.08588	66.1
109.06519	3.7
109.10157	99.5
110.10472	2.5
111.08086	4.2
111.11727	5.2
115.05432	2.4
119.08584	39.2
121.10146	61.3
123.08077	5.3
123.11701	34.6
124.12043	2.2
125.09615	8.5
127.11170	4.8
128.98560	2.0
131.08582	7.2
133.10144	35.1
135.11688	43.3
137.13245	18.8
143.08510	2.7
145.10106	14.9
147.11697	37.6
149.13258	34.5
151.14799	3.4
157.10114	4.3
158.99573	1.9
159.11729	13.7
161.13251	29.7
163.14824	24.2
165.12805	2.0
171.11630	2.4
173.13271	8.8
175.14818	14.8
177.16411	11.5
179.14340	9.7
185.13257	2.6
187.14833	11.2
189.16423	19.6
191.17931	38.1
199.06441	2.7
199.14790	3.0
201.08020	2.1
201.16403	13.5
203.17999	24.3
205.15898	2.4
205.19521	11.1
207.17407	5.6
215.17944	13.1
217.07446	2.9
217.19513	33.4
219.17545	2.3
219.21036	3.5
225.16496	2.0
227.17926	3.1
229.07530	13.5
229.19443	6.3
230.07872	5.1
231.21034	4.3
233.06764	2.3
233.18977	4.2
235.20404	2.8
241.19452	2.0
243.21054	2.4
245.22728	4.2
247.08588	14.6
247.99123	2.0
248.08946	4.5
255.21143	2.4
257.22614	3.8
259.24213	2.3
268.08826	1.8
269.22665	4.0
270.10101	1.8
271.24078	3.6
276.81717	1.8
283.24265	2.9
296.10263	5.5
296.60388	5.7
297.10489	2.5
301.28632	2.3
311.27472	2.0
313.27161	1.8
317.11667	2.4
338.66824	3.1
343.69418	2.6
407.36865	17.6
424.72241	4.1
425.37973	60.0
426.37985	2.5
434.94980	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03957	2.5
55.05507	15.4
57.07062	6.2
57.56995	1.5
67.05502	38.4
69.07069	33.4
69.79871	4.4
69.80274	6.4
71.08620	2.8
79.05492	13.3
81.07053	53.0
83.05012	2.5
83.08624	13.0
90.09832	1.7
91.05467	16.2
93.07041	38.8
93.57829	2.1
95.04958	2.4
95.08607	80.4
97.06519	3.3
97.10169	7.2
101.07698	1.7
105.07033	40.1
107.08594	58.9
109.06515	2.6
109.10157	100.0
110.68534	1.8
111.08072	3.8
117.07035	3.3
119.08580	48.8
119.09403	3.7
121.10146	50.3
123.08080	4.2
123.11700	29.0
131.08553	4.4
133.10130	39.6
135.11694	37.4
135.12729	2.2
136.12057	2.3
137.13257	11.6
137.14174	1.8
142.07860	1.9
143.08592	2.7
145.10089	11.3
147.11671	35.9
149.13235	23.2
150.87148	2.0
151.11166	2.6
157.10126	2.2
159.11684	17.4
161.13264	31.1
163.14812	21.6
171.11676	3.8
173.13266	11.7
175.14824	19.6
177.16331	8.4
179.14320	8.6
183.11627	1.9
187.14842	8.6
189.16367	18.6
191.17973	18.8
199.14888	4.2
201.16400	12.7
203.17955	46.0
205.19551	9.6
207.17456	13.2
213.16336	2.8
215.17961	16.7
217.19502	38.3
218.20084	1.9
219.21056	3.5
221.19014	4.5
229.19551	5.2
231.21039	5.0
241.19452	3.0
243.21150	4.5
245.22713	4.8
255.20982	5.4
257.22702	3.4
259.24258	2.8
262.85175	1.8
269.22736	3.9
271.24237	5.6
283.24225	3.0
285.25735	4.1
297.25723	3.6
315.27127	2.0
359.62747	2.3
391.97128	1.9
407.36771	22.8
408.11194	1.8
425.31866	5.1
425.37714	73.6
426.38165	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	425.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.05511	21.2
56.96556	9.3
57.03424	4.7
57.07060	7.2
59.04995	3.9
65.03940	3.8
67.05502	47.3
69.03426	3.2
69.07070	40.6
70.35373	3.0
71.04969	4.2
71.08619	5.1
71.50045	5.8
73.93910	3.4
79.05495	37.2
81.03414	3.4
81.06606	5.7
81.07053	80.4
83.04971	5.6
83.08612	15.6
85.06552	3.5
91.05486	31.1
92.04739	3.2
93.06483	3.4
93.07037	57.0
95.04969	10.0
95.08607	100.0
97.06536	22.0
97.10149	10.9
105.07030	54.5
107.04918	3.7
107.07893	6.8
107.08586	89.1
109.06510	6.5
109.10160	85.4
111.08017	3.5
111.11745	5.0
117.07014	6.0
119.08584	53.0
121.06458	3.9
121.10148	53.6
123.08051	8.2
123.11697	30.0
125.09618	7.1
128.06389	2.9
131.08549	13.2
133.10127	41.4
134.99658	4.4
135.08054	7.2
135.11694	46.2
137.09589	4.7
137.12332	3.3
137.13251	16.0
143.08536	10.8
145.10106	25.5
147.11679	28.2
149.13280	28.5
151.07532	4.1
151.11224	4.4
151.14813	4.5
155.08524	8.8
157.10101	13.3
159.11661	14.4
161.13275	32.9
163.14813	19.8
169.10100	7.5
171.11742	8.6
173.13222	10.6
175.14780	20.2
177.16365	13.6
179.14297	9.8
181.10133	3.9
183.11731	6.3
185.13277	7.8
187.14833	11.9
189.16405	18.2
191.17970	29.2
199.14798	3.9
201.16344	9.8
203.14250	4.8
203.17947	25.7
205.15947	4.1
205.19547	8.5
207.17482	11.0
213.16310	6.2
215.17941	11.7
217.19481	27.9
219.20917	4.0
225.16333	7.6
229.07468	4.2
229.19598	5.8
231.20982	4.5
237.16232	4.0
239.17700	4.8
243.20975	4.4
245.22957	3.9
251.17880	6.0
253.19458	5.6
257.22516	3.4
271.20602	6.3
318.23090	3.2
343.30078	3.9
389.32053	8.0
407.32941	15.1
407.36816	13.5
425.25540	21.3
425.33676	26.6
425.37793	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	426.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48183	0.8
55.05465	1.8
56.96499	30.7
56.96813	3.0
57.07027	0.8
59.06163	0.7
67.05432	3.5
69.07023	1.9
71.04925	1.5
71.08562	2.9
71.08904	0.8
71.50262	1.1
71.95187	3.2
72.95990	1.1
74.60793	0.7
74.97542	1.3
76.42830	0.7
79.05432	1.4
81.06973	2.3
82.14513	0.7
83.08575	1.0
84.95960	0.8
91.05429	1.0
93.06989	1.8
94.39248	0.8
95.04915	1.2
95.08614	5.9
96.08879	1.0
99.08029	1.1
104.10672	2.1
107.08537	1.3
109.10081	3.1
110.97477	1.2
112.07835	0.9
118.63676	0.8
119.08536	1.7
120.08760	0.7
123.01144	1.9
127.00559	0.7
128.98596	1.5
133.10066	1.2
137.02701	1.4
137.13275	1.0
141.02185	1.0
145.01761	0.9
145.10072	1.1
146.99594	1.4
147.03264	0.9
147.11499	0.7
149.13210	1.1
150.21912	0.7
153.02179	0.8
155.03685	2.7
157.01729	1.1
157.11710	0.7
159.03186	1.0
167.03697	0.9
168.17398	1.2
169.01669	1.1
171.03281	1.5
173.04840	0.9
175.02696	1.1
175.06343	1.1
181.05251	0.9
183.03325	1.1
185.04877	4.2
187.02713	1.5
189.04257	2.9
189.07910	1.6
193.03798	0.8
195.03152	0.9
195.06866	1.1
197.04797	5.2
199.06357	2.2
201.07881	2.2
203.05847	6.1
207.08890	1.0
211.06380	1.2
213.07964	12.3
215.05876	2.9
217.07411	3.5
219.08905	1.4
221.06863	1.6
223.06297	1.0
225.08011	0.8
227.09528	1.9
229.07439	4.2
231.03107	0.8
231.06804	1.1
231.09015	17.6
235.06432	1.4
236.09508	1.6
239.09494	1.1
241.07454	1.1
243.09026	1.5
245.10593	2.5
247.08467	3.0
249.07816	0.9
251.09592	1.8
253.07513	2.0
253.58209	0.8
254.10564	1.2
255.10750	1.0
257.10608	2.7
265.11185	0.9
267.08801	0.8
267.12732	1.1
269.10547	2.5
275.13425	1.0
287.11716	1.6
310.24283	1.1
319.15851	1.1
321.17300	1.0
323.18817	0.8
328.25034	1.1
331.15756	24.8
339.18338	1.4
349.16852	99.3
350.17239	3.4
357.19504	0.9
367.17911	100.0
368.18298	2.5
372.18478	9.4
385.14368	3.4
385.19077	3.9
390.19479	16.5
403.15610	14.9
421.16724	2.0
426.17151	3.0
426.34341	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	426.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.05510	20.9
56.05853	3.9
57.07069	9.1
57.21243	2.3
59.13929	1.7
64.38294	1.8
65.03946	2.4
67.05508	34.1
68.05833	8.0
69.03413	4.3
69.07069	35.2
70.07388	7.0
71.04980	3.9
71.08630	4.2
71.49828	2.0
73.77326	1.9
79.05492	22.7
80.05814	3.4
80.09591	1.8
81.07056	82.8
82.07384	21.6
83.08617	15.8
84.08955	2.7
85.15635	2.0
85.81059	1.8
91.05463	19.1
92.05804	4.9
93.07041	57.8
94.07378	13.8
95.04969	4.2
95.08604	100.0
96.08935	30.2
97.06524	7.5
97.10147	11.8
98.06847	3.2
98.10455	4.2
103.20986	2.2
105.06344	2.9
105.07027	38.8
106.07346	12.2
107.08591	73.1
107.09322	3.8
108.08926	27.3
109.10158	76.2
110.10483	29.0
111.08036	4.5
111.11702	7.0
119.08582	46.2
120.08908	19.5
121.10143	58.2
121.10954	4.1
122.10479	30.3
123.08051	6.3
123.11702	36.9
124.12038	13.5
125.09629	6.1
126.09901	2.3
127.11262	2.1
131.08566	7.1
132.08847	3.5
133.10127	36.8
134.10446	15.7
135.08086	2.5
135.11687	51.8
136.12027	22.6
137.13252	14.4
138.13594	8.9
145.10120	10.9
146.10489	6.0
147.11691	34.8
148.12010	18.6
149.13269	37.0
150.13612	22.1
151.14796	3.1
153.56157	1.8
153.90492	1.9
159.11687	18.7
160.12027	13.6
161.13260	27.6
162.13608	18.6
163.11227	2.5
163.14813	17.5
164.15198	11.0
173.13306	10.8
174.13660	7.9
175.14783	16.1
176.15196	6.2
177.16399	7.9
178.16751	9.0
179.14305	2.6
185.13303	2.0
187.14822	7.6
188.15141	4.9
189.16379	18.5
190.16692	15.9
191.17932	39.8
192.18263	32.5
199.14738	2.7
201.16383	10.4
202.16711	14.4
203.17973	21.0
204.18295	22.6
205.19589	10.9
206.19926	8.3
207.17455	5.0
208.17886	3.9
215.17976	6.1
216.18297	13.2
217.19514	21.3
218.19858	25.2
219.21022	2.7
220.21426	3.1
229.19551	4.2
231.21158	4.6
232.21371	3.0
234.19273	3.4
243.21121	3.2
244.21385	3.3
258.22922	2.8
262.98135	2.2
272.24524	3.2
284.24225	3.1
316.27365	2.4
319.39264	2.2
408.37140	30.1
426.32468	3.9
426.38089	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	426.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.05508	19.0
56.05839	4.3
57.03434	3.6
57.07067	6.8
58.42809	1.8
60.74551	2.0
65.03922	2.7
67.05502	38.5
68.05824	7.0
68.57088	2.1
69.03423	5.2
69.07063	30.9
70.07381	5.9
71.14154	1.8
79.05492	28.0
79.79701	1.9
80.05829	4.3
81.07050	70.8
82.07387	13.8
83.08621	16.6
91.05466	17.4
92.05822	4.9
93.07041	54.5
94.07358	13.5
95.04942	4.2
95.08606	100.0
96.08933	28.2
97.06525	9.9
97.10173	10.8
98.10563	2.7
105.07030	34.7
106.07369	15.1
107.08589	75.0
108.08919	28.9
109.10156	74.5
110.10477	30.5
111.08086	4.1
111.11623	3.5
117.07079	2.8
118.59995	2.4
119.08575	41.1
120.08882	15.7
121.09250	3.1
121.10138	64.4
121.78628	1.9
122.10467	22.0
123.08088	2.9
123.11697	29.1
124.12030	13.0
125.09631	7.1
127.11214	3.4
131.08551	8.0
132.08904	4.1
133.10117	33.5
134.10455	15.0
135.11688	50.1
136.12018	23.0
137.13219	13.6
138.13559	6.6
145.10123	13.1
146.10454	9.1
147.11678	34.2
148.12035	15.0
149.13248	36.1
150.13609	19.3
151.11157	2.2
151.14885	2.9
157.10091	2.4
159.11694	20.1
160.11990	10.4
161.13258	22.6
162.13614	12.5
163.14825	19.0
164.15167	11.5
171.11713	2.6
173.13301	11.1
174.13675	5.9
175.14864	13.5
176.15137	13.3
177.16374	7.9
178.16743	8.1
179.14279	3.9
185.13261	2.8
186.13712	2.8
187.14848	8.3
188.15221	7.3
189.16394	19.7
190.16719	15.6
191.17970	29.2
192.18294	31.5
201.16423	10.6
202.16684	10.5
203.17937	20.7
204.18289	17.2
205.19524	8.8
206.19878	5.2
207.17484	5.8
215.17920	7.4
216.18306	9.3
217.19534	16.6
218.19830	17.4
219.21092	4.2
220.21422	4.9
229.19553	3.1
231.21146	3.6
232.21416	4.6
233.19049	2.3
234.19363	4.2
244.21472	2.2
255.21051	2.0
258.23004	2.8
270.22882	2.4
272.24530	4.9
284.24548	2.9
296.24582	2.3
298.26111	3.0
316.27145	2.7
318.97708	2.2
333.47650	2.1
408.37030	30.4
426.32715	5.9
426.38132	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	426.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14759	1.6
55.05513	18.4
56.05845	2.8
57.03409	2.2
57.07061	5.5
58.07417	2.0
62.06944	1.6
64.64645	1.8
65.03916	1.9
67.05507	30.3
68.05834	7.2
69.07074	27.6
70.07396	4.3
70.66405	3.7
70.66769	4.2
79.05496	19.0
80.05821	4.2
81.03416	2.6
81.07059	54.6
82.07385	11.8
83.08620	12.9
84.08948	3.8
85.80356	2.0
91.05479	13.7
92.05822	5.2
93.07045	36.5
94.07363	11.5
95.04943	3.7
95.08610	71.1
96.08945	23.8
97.06534	5.9
97.10166	6.4
99.08107	2.0
105.07030	32.5
106.07366	11.9
107.08597	57.9
108.08924	22.3
109.06522	2.5
109.10159	63.5
110.10485	21.8
111.08053	2.1
111.10970	2.2
111.11716	5.2
117.07016	2.6
119.08591	38.6
120.08932	14.5
121.10152	44.9
122.10498	16.7
123.08031	2.5
123.11717	30.5
124.12074	11.2
125.09638	3.2
131.08553	5.8
132.08884	3.9
133.10139	29.2
134.10477	12.9
135.11690	44.2
136.12041	15.1
137.13222	10.4
138.13593	5.5
145.10126	8.2
146.10486	8.0
147.11690	28.0
148.12027	14.0
149.13263	24.5
150.13605	13.0
152.15117	1.8
159.11658	14.0
160.12073	9.3
161.13240	21.9
162.13594	14.1
163.14842	17.4
164.15141	11.5
171.11652	2.5
173.13242	6.0
174.13664	6.7
175.14804	11.2
176.15170	8.7
177.16383	8.0
178.16769	4.5
179.14352	4.1
180.14682	4.1
185.13246	2.1
186.13663	2.7
187.14839	5.5
188.15129	6.1
189.16409	14.2
190.16705	14.4
191.17944	26.1
192.18286	23.6
201.16368	6.6
202.16747	7.5
203.17957	18.7
204.18240	15.8
205.19537	8.1
206.19881	6.7
207.17528	3.1
208.17809	6.3
213.16458	2.0
214.16673	2.9
215.17931	4.6
216.18350	6.1
217.19528	19.7
218.19862	27.3
220.21475	3.9
222.19321	2.4
230.19684	2.5
232.21533	3.1
244.21375	2.3
246.22975	2.8
256.21481	3.0
258.23035	3.1
272.24570	3.4
283.24570	1.8
284.24585	2.5
286.26196	3.4
326.29062	2.3
352.30612	2.2
370.31760	3.8
408.37173	23.6
409.58401	2.6
426.32452	5.4
426.38113	100.0
427.19272	2.4
427.30756	2.0
427.38370	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	427.1002
Annotation	Dechlorobarbamide
Peak:m/z	Relative Intensity
53.92860	10.1
56.96554	16.6
70.75591	30.9
98.97578	21.9
102.59441	10.5
110.97570	20.0
128.98608	30.2
139.19740	9.8
154.56456	8.9
159.05501	13.3
219.01796	20.4
226.77231	11.5
237.02814	36.7
286.11932	18.3
325.02173	13.2
374.31854	11.6
427.09943	100.0
427.19077	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	427.1
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	9.5
70.78644	17.7
73.46731	4.5
82.06573	11.8
86.09712	6.9
98.97557	8.7
100.07635	27.1
116.98662	6.0
124.07613	35.6
128.98581	9.5
129.04483	16.3
147.05495	6.0
159.05595	24.4
162.09094	9.1
177.06628	13.1
177.13939	9.9
179.93410	6.0
187.05008	42.6
198.46530	5.0
205.06119	11.9
205.13405	22.0
219.01797	8.6
223.14499	6.0
237.02863	19.0
243.01840	5.5
286.11841	100.0
338.09000	5.8
409.18668	12.1
427.10059	46.6
427.19681	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	427.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41675	1.6
55.05507	2.7
62.06091	100.0
67.05499	5.2
69.07071	3.4
69.37997	15.1
79.05506	3.6
81.07057	5.6
85.02911	4.3
91.05485	4.3
93.07045	6.1
95.08599	4.2
97.06546	5.4
98.20789	2.4
105.07047	5.4
107.04926	2.5
107.08564	2.4
109.10143	3.9
119.08616	2.0
121.10122	3.5
130.83864	1.6
131.08575	3.0
135.08034	2.6
149.09662	3.1
163.03946	3.8
167.07103	2.5
173.09721	2.2
175.07764	1.8
176.03127	2.5
203.12778	2.5
246.65898	1.6
253.16119	1.7
265.07956	86.4
270.32645	1.8
384.15442	2.0
409.27719	2.0
427.18127	6.3
427.28284	2.7
443.03903	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	427.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	13.1
55.01878	15.1
55.05513	14.0
57.03436	18.8
57.07067	4.6
59.05001	2.8
61.02920	1.8
67.05504	25.7
69.03426	47.1
69.07071	10.3
71.05002	16.2
71.08616	2.1
73.02914	3.1
79.05499	23.4
81.03418	94.7
81.07056	26.0
83.01326	3.4
83.04978	31.9
83.08617	10.8
85.02900	17.2
87.04433	3.0
91.05480	11.4
91.35075	1.8
93.07048	34.5
93.07632	1.3
95.04957	6.6
95.08594	20.3
97.02892	39.3
97.06531	9.3
97.10137	5.0
99.04452	17.9
105.07039	9.0
107.04946	7.5
107.08598	20.0
109.02885	21.1
109.06509	3.6
109.10152	11.7
111.04446	19.8
111.08065	6.7
114.83878	1.7
117.06990	3.2
119.08560	10.6
121.06489	2.8
121.10140	14.4
123.08068	5.7
123.11713	3.8
125.09605	4.3
127.03909	25.2
129.06993	2.6
130.07777	2.3
131.08563	4.0
133.10127	4.8
135.08026	3.3
135.11685	27.6
137.13278	5.3
145.06511	1.9
145.10089	13.3
145.46027	1.8
147.11714	2.4
149.09532	2.9
153.12727	26.2
155.08560	2.8
163.11166	24.6
164.11534	1.8
173.09677	4.5
181.12238	24.0
189.11221	2.7
191.10596	8.8
203.12679	1.9
209.11691	12.2
215.18286	1.8
227.12762	42.5
283.15439	5.2
285.01743	1.6
353.15878	14.8
371.17709	2.1
427.19641	100.0
427.35803	3.8
428.20020	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	427.1974
Annotation	(+)-Cyanocycline A
Peak:m/z	Relative Intensity
53.07702	0.5
59.20710	0.4
68.40524	0.6
69.03391	0.8
69.29646	5.2
70.06584	3.1
71.04996	19.0
82.06567	1.2
84.08099	1.3
85.02867	1.4
86.09679	0.7
91.05423	0.7
93.07030	0.8
94.06481	0.5
97.02881	0.6
100.07624	13.4
105.07000	0.6
107.04919	1.4
107.08533	0.6
108.08050	0.7
118.07296	0.5
122.06016	1.0
124.07570	1.7
129.04446	1.4
130.04918	0.6
136.07542	2.2
138.09079	1.5
147.05504	2.0
150.04332	0.8
150.05510	10.7
150.07732	5.6
152.07060	0.9
159.05530	5.7
164.07037	2.2
175.08701	0.5
176.06982	0.9
177.06560	2.6
182.08109	1.1
187.05045	6.7
190.08653	1.1
192.10297	0.7
193.09750	5.9
194.08131	3.4
200.10751	0.6
202.08620	1.9
203.05232	1.0
204.10226	0.7
208.09724	1.4
217.13423	3.4
218.08052	0.9
218.11685	0.7
220.07619	0.8
220.09682	16.1
223.14427	35.8
224.14586	1.0
228.10295	0.8
229.06061	5.4
232.99756	0.5
234.11230	1.5
240.10118	0.7
245.12965	3.0
246.11252	3.2
263.13916	100.0
264.12137	10.4
265.12555	1.5
281.14969	4.1
295.11530	1.7
302.12305	0.6
312.08670	1.0
366.14804	0.8
380.16083	0.6
392.15994	0.9
397.18304	2.6
409.18698	25.8
410.17667	2.0
411.75717	0.6
427.12549	1.6
427.19733	29.6
428.19736	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	427.3571
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03954	2.8
54.20616	2.3
55.05505	19.0
57.07076	10.2
67.05506	28.4
67.23696	2.3
69.03431	6.8
69.07068	40.3
69.86298	5.7
69.86710	9.2
71.04974	4.3
71.08635	5.5
79.05487	17.5
81.03424	4.7
81.07053	58.9
83.08624	15.4
85.02926	6.1
89.37198	2.5
91.05476	23.4
93.07041	37.9
95.04958	4.7
95.07998	4.1
95.08607	67.3
95.42455	2.2
97.06523	4.9
97.10172	11.5
98.21558	2.7
99.08064	2.8
105.07038	57.7
107.04947	3.2
107.08591	52.3
109.06533	6.3
109.10158	39.6
112.07630	5.2
117.07022	10.3
119.08578	66.6
121.10155	42.5
123.08064	8.2
123.11708	26.8
125.09602	4.5
127.12486	2.4
129.07001	3.6
130.07698	2.4
131.08559	27.6
133.10120	42.8
135.08080	5.7
135.11665	26.6
137.09604	4.1
137.13272	12.1
139.11186	4.7
142.07828	3.5
143.08546	11.1
145.10112	34.8
147.11682	41.7
149.09653	6.6
149.13252	32.0
151.11102	2.9
151.14821	6.8
155.08537	5.1
155.22623	2.4
157.10176	15.3
158.10832	2.9
159.08072	3.0
159.11694	31.7
161.09523	4.6
161.13246	39.1
163.14809	15.2
165.12758	13.9
169.10156	8.1
171.11702	13.0
173.09622	2.9
173.13297	23.7
175.14801	37.4
177.12788	4.2
177.16376	7.2
179.14252	5.1
181.10155	2.8
183.11711	10.3
185.13239	12.4
187.14795	22.4
189.16376	19.3
191.14288	12.4
191.17963	8.5
195.11655	2.9
197.13329	7.8
199.14766	16.3
199.76279	2.4
201.16371	16.7
203.12640	4.0
203.17966	11.9
205.15979	6.1
205.19551	7.4
209.13370	4.5
211.14859	4.5
213.16393	8.7
215.17984	7.9
217.19577	10.4
219.17404	4.0
223.14838	3.1
225.16440	7.4
227.17896	6.8
229.19525	9.4
231.17436	4.8
231.21046	16.8
237.16354	2.9
239.18027	7.1
241.19524	11.1
243.21172	8.1
245.19017	4.6
245.22630	3.7
247.20628	5.1
249.22070	4.1
253.19452	6.6
255.21173	4.9
257.19046	11.0
259.20679	3.6
265.18030	7.9
267.21027	5.3
269.22556	5.0
270.98520	2.8
271.20663	4.8
275.20105	3.3
279.21072	5.1
281.22903	4.2
283.24167	3.1
293.22668	4.4
307.24060	3.2
349.28976	5.2
362.77356	2.7
391.33572	68.8
392.33893	4.5
409.34653	100.0
410.34988	7.8
427.24664	4.1
427.35736	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	429.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60439	0.6
56.96551	1.4
57.03419	0.8
57.07058	0.7
57.65210	0.5
60.62381	0.5
61.02929	1.2
66.67698	0.5
67.05508	1.0
69.03423	2.3
69.80846	2.4
69.81255	1.1
70.06557	1.1
72.60774	0.6
72.93761	0.5
73.02925	0.7
73.04753	0.6
74.05695	0.6
80.75130	0.6
85.02898	4.0
86.03172	0.5
91.05801	3.3
94.06588	1.0
97.02904	1.9
98.97594	2.1
104.14439	0.6
108.02201	0.7
116.98621	2.2
119.01961	0.7
121.06573	0.6
122.06076	1.0
127.03922	1.4
128.98616	0.9
131.01891	0.6
134.99681	1.4
143.01855	0.6
146.99652	1.1
150.05516	14.1
158.99675	1.1
161.02948	1.6
167.05565	0.9
167.06879	0.6
168.06528	0.9
177.00757	1.8
189.00677	0.8
190.41429	0.7
197.02612	0.6
203.05302	7.3
219.01796	1.6
219.06454	0.9
227.02142	0.7
232.05995	0.6
237.02837	1.6
249.07242	0.6
267.09769	2.3
297.09061	0.7
297.60764	0.9
359.03052	1.3
366.87878	0.7
411.12375	2.6
429.13715	100.0
430.14020	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	429.1735
Annotation	Hyuganoside II
Peak:m/z	Relative Intensity
53.03836	0.8
53.04056	1.0
55.01975	0.9
55.05358	1.5
55.05646	2.1
57.03572	2.3
59.37986	0.7
61.03027	0.8
67.05258	1.3
67.05650	2.8
69.03172	1.2
69.03586	3.9
69.07183	0.9
70.06749	2.9
71.05107	1.1
71.48793	1.5
71.84438	0.6
72.07941	0.8
72.08287	1.4
77.83667	0.9
79.05666	2.9
79.15295	0.6
81.03048	2.2
81.03580	9.8
81.06707	1.1
81.07222	3.9
83.04676	1.3
83.05143	2.8
83.08335	1.2
83.08783	2.3
84.08278	1.1
85.02525	1.5
85.03075	4.0
86.09312	2.1
86.09875	11.1
87.04540	0.7
91.05656	4.3
93.07240	2.5
95.04465	1.2
95.05141	5.7
95.08722	1.1
97.02385	1.6
97.03073	5.9
97.06635	0.7
97.10305	0.8
97.77763	0.7
103.03423	0.6
103.04079	1.2
105.07218	3.1
107.04504	0.7
107.05126	2.1
107.08722	1.6
109.03059	1.1
109.06673	1.0
109.99184	0.7
111.04546	1.2
111.08199	0.9
116.07279	4.2
117.07160	1.5
119.08764	3.6
121.06657	1.0
121.10291	1.6
123.04585	1.9
125.09750	1.1
127.04106	1.7
129.07124	1.3
131.07777	0.7
131.08699	1.6
133.10330	1.1
145.10248	1.0
147.11697	3.6
149.09712	1.1
157.10324	2.1
163.11292	1.3
165.12863	1.0
174.55672	0.7
175.11330	2.0
175.49863	0.7
176.73282	0.7
181.05052	1.3
185.04326	1.1
189.12823	0.8
193.12262	5.7
205.12134	2.2
211.08203	0.9
211.13287	9.9
211.15097	1.0
221.11525	1.4
229.09306	2.3
229.15778	0.8
235.13290	3.6
249.14874	1.0
259.13074	1.2
267.12036	100.0
273.14996	1.0
285.16837	1.2
296.19608	2.2
301.14288	1.5
309.17007	1.1
329.21515	0.7
355.11877	0.7
375.17618	0.8
411.19797	1.4
429.16653	47.7
430.17160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.4
56.96563	0.8
62.72010	0.3
69.03432	1.0
69.74582	2.4
70.06583	2.5
72.08141	0.9
72.93787	0.6
81.03389	0.7
84.08160	2.3
85.02899	2.9
86.03217	0.6
86.09697	1.1
91.05779	0.7
95.04968	0.5
97.02887	1.6
98.20876	0.7
98.97559	0.9
103.05531	0.4
106.14499	0.4
109.02859	0.5
114.77892	0.5
116.07093	0.6
117.07051	0.4
122.05997	0.6
127.03910	0.9
129.10233	0.9
136.07587	0.3
137.05983	0.5
145.04977	1.1
146.99619	0.6
150.52957	0.4
158.97371	0.6
168.59346	0.4
203.05272	1.6
218.78886	0.4
219.01666	0.4
227.02332	0.5
234.99034	1.4
237.02847	0.9
266.99347	0.6
279.98630	0.4
367.00891	0.4
371.16708	1.1
400.05457	0.4
411.03378	2.5
411.19849	6.1
429.13876	6.4
429.20975	100.0
430.12704	0.4
430.21616	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	429.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84430	0.2
69.03413	0.5
69.52209	1.4
70.06572	0.6
71.17389	0.2
72.08134	0.5
76.52621	0.2
78.03625	0.2
81.03423	0.2
84.08128	0.4
85.02912	0.5
85.73375	0.2
86.09689	0.6
90.10978	0.2
92.32655	0.2
95.08603	0.2
97.02886	0.3
98.21511	0.3
105.03349	0.2
116.98615	0.2
117.35201	0.2
118.63063	0.2
128.68536	0.2
133.12169	0.2
147.09166	0.3
148.09918	0.4
191.10472	0.3
203.05269	2.0
231.14859	0.5
249.16089	4.3
253.30786	0.2
267.16995	0.3
285.51904	0.2
351.09833	0.2
371.16705	1.4
411.19568	0.2
429.20975	100.0
430.21439	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	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.8
55.01865	7.2
55.05510	15.9
56.05029	2.2
57.03441	20.7
57.07079	1.8
58.06592	3.6
59.05006	2.8
61.02920	4.1
67.05502	23.1
69.03436	37.9
69.07056	6.9
69.21600	16.1
69.22004	4.2
69.22321	1.7
70.06596	5.0
71.04978	7.7
73.02921	4.0
75.71578	1.8
79.05499	21.7
81.03422	100.0
81.07056	23.9
83.04986	22.4
83.08620	21.4
85.02909	33.0
86.09711	2.4
87.04471	3.7
91.05480	27.8
93.07050	15.5
94.06557	2.3
95.04971	35.6
95.08611	10.2
95.60850	1.9
97.02892	51.4
97.06520	4.6
97.10159	5.2
99.04462	6.6
101.02345	3.8
103.03905	3.1
103.05445	2.3
105.07037	21.2
107.04971	10.6
107.08588	11.9
109.02886	17.1
109.06514	7.7
109.10107	3.1
111.04442	8.6
111.08090	12.7
112.07591	2.1
115.05423	2.8
117.06984	3.8
119.04982	2.3
119.08583	19.6
121.06470	6.4
121.10130	10.1
123.04400	3.0
123.08076	2.7
123.11739	2.9
127.03905	17.1
129.05492	5.9
129.06996	9.4
131.04921	3.3
131.07718	2.1
131.08540	11.0
133.06473	3.8
133.10106	6.8
135.08072	2.0
135.11710	2.1
135.87840	2.3
137.05960	3.4
137.09610	3.4
138.05511	2.2
139.03925	5.8
145.04974	2.3
145.10109	3.4
147.08043	5.8
147.11699	18.5
148.07509	2.4
149.06001	3.8
149.09653	6.7
153.05502	2.1
157.10126	14.3
159.04460	2.8
163.11168	4.6
165.05435	6.4
165.12767	6.8
167.07040	5.7
171.11670	3.3
175.03870	2.4
175.11191	14.4
176.07016	2.1
181.12325	2.4
183.06512	3.3
186.07700	3.0
191.10652	3.5
193.04961	5.3
193.12251	68.4
197.04199	4.0
201.05438	7.0
203.05194	4.0
204.08665	4.3
204.75903	2.1
211.13280	92.5
218.08054	4.6
227.12743	2.2
229.14320	2.6
235.13246	5.1
236.09229	4.8
248.16682	2.4
249.07326	3.3
249.14761	6.8
249.16858	7.0
250.10760	8.7
255.08446	2.8
267.15872	5.7
268.11807	19.7
273.14883	2.4
285.16949	20.2
313.16437	3.6
337.16528	3.1
355.17474	5.5
375.17987	2.6
411.12573	13.6
411.19980	6.6
412.94815	1.9
429.13712	35.5
429.21103	71.8
430.17618	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	429.2119
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
51.02388	1.2
52.29464	1.3
53.03947	8.8
55.01882	6.1
55.05510	13.5
56.96561	1.5
57.03170	1.4
57.03438	19.2
61.02920	5.0
67.05508	23.1
69.03059	1.6
69.03431	32.1
69.07084	6.2
69.45949	8.4
70.06584	2.7
71.01362	2.5
71.05001	7.3
72.08160	1.9
73.02908	3.4
79.05491	21.0
81.03419	87.4
81.07054	26.2
82.03721	2.0
83.04981	20.0
83.08158	1.9
83.08621	20.4
84.08154	1.8
85.02908	21.7
85.06544	2.5
86.09702	9.6
87.04466	2.6
91.03945	2.1
91.05478	25.0
93.07056	18.2
95.04970	26.4
95.05574	1.4
95.08604	8.4
97.02892	51.3
97.06532	5.1
97.10168	5.7
98.20662	1.4
99.04460	6.5
99.08109	1.3
101.02370	1.8
103.03933	4.0
105.07034	20.2
107.04958	9.8
107.08606	9.1
109.02879	15.8
109.06525	7.6
109.10155	3.6
111.04442	8.5
111.08081	8.4
113.06030	2.2
117.07066	3.0
119.04951	2.1
119.08584	19.2
121.06513	4.4
121.10130	10.0
123.04414	6.9
123.08071	2.8
123.11703	1.7
125.09634	3.4
127.03931	17.4
129.05463	2.8
129.07005	8.9
131.04977	1.5
131.08548	11.6
133.06496	3.2
133.10143	7.9
135.04402	1.3
135.08061	3.3
135.11693	2.5
137.06003	2.5
137.09616	2.6
142.07771	2.4
143.08655	1.8
145.05000	1.8
145.06448	2.2
145.10139	3.9
147.04404	1.6
147.08063	4.8
147.11670	18.5
148.24472	1.5
148.86868	1.4
149.05969	2.5
149.09601	6.0
151.11208	1.2
153.12788	1.4
156.87163	1.3
157.06442	1.5
157.10159	11.6
160.79530	1.2
163.11186	6.0
165.05518	1.6
165.12779	7.8
171.11690	2.3
173.09622	1.4
175.11183	11.9
181.12196	1.7
183.06601	2.6
189.11224	2.0
189.12772	2.6
191.10712	3.4
193.12245	61.3
199.11079	1.6
207.13831	2.0
211.13289	89.7
217.12239	2.1
227.12759	2.9
229.14377	3.3
231.13940	1.7
235.13278	10.6
249.14757	6.6
259.13324	3.9
265.14508	1.8
267.12021	9.5
267.16040	7.7
273.06750	1.2
273.14886	6.3
277.14490	1.9
285.17007	16.4
289.14487	1.4
291.16086	1.3
299.46002	1.3
301.14337	6.6
309.17023	2.3
313.16483	3.3
319.15622	2.9
337.16370	2.7
351.18118	2.4
355.17429	4.2
375.18115	3.0
393.18939	3.7
411.20184	8.2
429.21176	100.0
430.21500	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	429.212
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	10.8
55.01869	10.6
55.05511	23.2
57.03442	26.1
61.02928	24.1
65.03927	2.7
67.05508	33.8
69.03426	29.1
69.07059	7.5
69.61349	19.1
70.06588	3.3
71.01331	5.4
71.04991	6.3
73.02914	10.7
79.05492	35.4
81.02935	6.0
81.03416	100.0
81.07061	33.8
82.40208	2.6
83.04978	18.2
83.08624	20.3
84.75968	2.6
85.02907	40.2
85.06543	3.7
87.04469	4.5
90.30808	2.4
90.31437	2.4
91.03953	11.6
91.05476	32.7
93.07044	22.9
94.57698	2.3
95.01338	3.5
95.04388	4.7
95.04971	70.8
95.08600	12.9
97.02895	40.8
97.06522	6.0
99.04456	9.9
103.03919	8.4
105.07037	22.3
107.04964	17.0
107.08599	15.4
109.02872	18.9
109.06508	8.9
109.10177	4.7
111.04439	10.2
111.08099	4.8
115.03880	2.8
117.07022	7.5
119.08566	19.8
121.06514	9.3
121.10119	9.9
123.04433	31.0
123.08133	3.2
123.11719	4.1
125.09625	6.1
127.03911	16.6
129.05458	5.5
129.07011	13.2
131.04958	3.7
131.08548	14.0
131.35362	2.5
133.06468	4.6
133.10146	8.3
135.08038	7.1
135.11703	7.4
137.05995	4.6
141.07056	4.0
142.07709	4.6
143.08571	5.4
145.04901	2.9
145.06491	4.2
145.10132	11.0
147.04416	6.7
147.08015	9.2
147.11694	22.1
149.05978	4.4
149.09613	8.4
151.11179	6.1
157.06529	2.7
157.10127	11.3
159.11650	3.3
161.05937	6.1
161.13272	3.0
163.04028	3.9
163.11163	17.3
165.12764	8.0
171.08025	3.2
171.11594	5.7
173.05986	2.7
173.09608	2.9
175.11166	15.0
181.10077	3.1
183.06595	3.8
189.05556	3.4
189.11263	3.6
189.12805	10.4
191.10637	4.9
193.12245	39.6
205.12160	6.8
207.13803	7.7
209.15378	7.5
211.13274	49.4
217.12250	7.6
223.13243	4.8
231.20963	3.1
235.13303	45.9
244.10461	2.8
249.14885	10.5
251.11382	4.3
253.14378	4.4
255.13789	3.0
259.13376	13.6
267.15942	26.2
269.12369	6.6
273.14880	22.0
277.14264	5.6
285.16983	10.8
289.14334	3.8
301.14417	21.3
309.16974	24.8
319.15283	6.4
337.16718	5.4
375.17926	12.8
393.19061	11.2
393.33975	3.3
411.20157	10.5
429.21204	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	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.8
55.01854	4.0
55.02093	1.2
55.05510	12.2
57.03440	14.7
60.44717	1.1
65.03935	1.5
67.05511	17.0
67.97987	1.1
69.03433	34.5
69.07053	4.8
70.68370	4.2
71.01366	1.2
71.04977	7.1
73.02898	2.8
79.05486	14.2
81.03416	72.1
81.06668	1.6
81.07063	15.8
83.04982	22.9
83.08180	1.6
83.08624	19.4
84.35924	1.0
85.02911	20.4
85.06549	1.2
91.05472	13.4
93.07044	11.4
95.04978	17.2
95.08600	8.7
97.02899	47.9
97.06519	2.8
97.10138	3.3
99.04433	8.0
101.02356	1.6
105.07029	10.8
107.04935	5.7
107.08597	7.8
109.02879	11.6
109.06499	3.7
109.10141	3.4
111.04468	7.9
111.08074	8.2
117.06992	1.4
119.08585	12.7
121.06517	1.6
121.10137	9.1
123.04443	1.3
123.08066	1.6
123.11700	2.4
127.03917	12.3
129.05521	7.7
129.06993	8.0
131.08586	8.0
133.10123	5.4
135.04407	1.7
135.11716	1.7
142.07774	1.4
145.10133	2.5
147.08037	2.1
147.11693	11.2
149.09584	3.3
153.12720	1.9
157.10101	10.3
163.03879	4.7
163.11124	1.7
165.12775	1.9
175.11198	11.8
191.10655	3.0
193.12244	53.6
200.42230	1.3
209.11644	1.6
211.13298	100.0
212.13699	1.4
213.05515	1.5
227.12775	4.9
229.14342	3.4
249.14828	6.1
285.16953	7.1
301.14258	1.8
314.49234	1.7
355.17511	4.2
411.20377	2.2
429.21014	54.2
429.31821	83.0
430.21411	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	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.65904	0.6
55.05492	3.8
57.06808	1.2
57.07072	18.3
67.05500	5.4
69.07072	5.5
71.04958	0.8
71.08632	13.2
71.48742	1.0
77.11370	0.6
77.96492	0.7
79.05484	2.3
81.06678	0.8
81.07065	8.7
81.80299	0.7
83.04998	0.8
83.08602	2.4
85.10183	6.7
91.05453	2.6
93.07037	3.0
95.08602	7.0
97.10183	1.6
105.07058	3.3
107.08585	8.2
109.06500	0.9
109.10149	7.8
111.04460	1.0
111.11726	1.1
113.71564	0.7
117.06998	1.1
119.08602	4.2
121.06514	1.3
121.10146	3.4
122.07235	0.8
123.08106	1.3
123.11695	1.0
129.07045	0.8
131.08562	2.9
133.10130	1.9
135.08060	6.4
135.11681	2.5
137.06039	0.9
137.09613	11.9
139.07556	2.3
143.08519	0.7
145.10127	3.6
149.09618	16.2
149.13228	0.8
151.07542	1.4
159.08037	0.8
159.11676	3.5
160.08742	1.1
161.09677	1.5
162.06810	1.0
163.11171	21.8
165.09111	100.0
166.09471	1.4
173.09593	1.8
173.13277	2.3
175.07518	0.8
175.11189	5.9
176.08313	2.0
177.09113	11.1
177.12744	3.1
178.09778	0.7
179.10645	1.8
186.10413	1.7
187.11174	2.0
189.09030	1.2
189.12740	2.9
190.09912	2.0
191.10677	10.1
191.14421	0.9
200.12112	0.9
201.12711	4.0
203.10681	1.7
205.12239	9.5
215.14247	1.6
219.13792	4.8
229.15979	0.9
233.15346	3.5
261.18573	1.5
275.20010	1.7
289.21634	1.8
303.23236	2.0
317.24631	1.4
331.26587	0.8
345.27896	1.0
373.30884	1.2
401.34122	3.0
411.36157	2.6
429.32004	2.6
429.37256	43.1
430.37762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
55.01868	1.2
55.05507	5.9
56.10051	1.0
57.03430	1.1
57.07061	3.7
60.91223	1.0
61.37254	0.9
67.05499	11.5
69.03410	1.4
69.07064	14.5
71.50346	1.8
72.36570	0.9
79.05489	7.8
81.03413	3.9
81.06609	1.6
81.07056	24.7
83.08620	7.1
85.02917	1.4
89.74226	1.2
91.05454	6.5
93.07042	16.0
95.04942	3.0
95.08603	38.4
97.06509	1.6
97.10173	6.1
98.98465	1.2
105.07023	10.8
107.08586	20.7
109.06566	1.5
109.10152	25.1
111.08109	1.5
111.11727	1.0
113.09627	2.3
119.08570	11.7
121.10133	22.3
123.11700	16.0
125.09602	1.3
131.08604	2.6
133.10118	10.0
135.11687	18.7
137.09579	2.5
137.13243	8.8
139.11186	3.1
141.09154	1.1
145.10123	2.8
147.11665	6.4
149.02367	1.1
149.09628	1.0
149.13246	11.1
151.11133	1.1
151.14783	4.8
157.10129	1.4
159.11703	4.0
161.02394	1.2
161.13235	5.8
163.03902	3.0
163.14828	8.6
165.16367	2.0
172.06764	1.0
173.02399	1.3
173.13286	1.9
175.14818	3.4
177.16376	4.6
179.14368	1.1
179.56905	1.1
187.02376	1.7
187.03893	1.4
187.14758	2.0
189.16414	5.2
191.17929	7.7
193.12335	1.4
201.16364	1.6
203.17920	4.8
205.19547	3.0
207.17477	5.0
215.17896	1.8
217.19499	2.1
219.21095	2.4
229.19441	1.8
231.21144	1.9
259.20691	1.1
355.15509	1.5
359.29395	1.3
393.34985	1.4
411.36334	2.3
429.19107	12.4
429.32330	4.2
429.37296	100.0
430.37796	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	430.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44556	0.2
55.01862	0.4
56.03132	0.2
56.47372	0.2
56.96549	0.3
57.03429	0.6
61.02914	0.7
69.03429	1.6
70.02073	0.7
70.06583	0.8
71.06935	0.2
72.08151	0.4
73.02911	0.4
81.03407	0.5
84.08134	0.2
85.02908	3.3
86.09687	0.3
91.05823	0.2
94.04039	0.5
97.02894	1.7
98.97594	0.5
102.75101	0.2
109.02871	0.4
109.05114	0.2
116.98624	0.3
119.03540	1.3
119.04955	0.2
124.03950	0.7
127.03895	0.6
136.06180	100.0
137.04607	1.1
137.05606	0.2
137.06618	0.3
145.04953	0.4
150.05431	0.2
155.04680	0.3
164.05290	0.2
177.00732	0.2
187.10741	0.3
189.03992	0.3
225.75775	0.2
268.10315	2.2
298.11417	0.7
322.28448	0.2
430.15698	5.8
430.21136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78940	2.3
55.05500	5.0
56.96544	3.1
57.03436	8.3
60.07047	2.2
61.02927	2.7
67.05510	4.2
69.03425	10.0
69.07079	3.8
70.06588	18.4
71.49139	3.1
71.49527	4.9
71.84361	2.6
72.08154	12.1
73.02936	3.6
81.03426	7.0
81.07033	2.9
82.03735	3.2
84.04510	7.0
84.08149	20.7
85.02893	14.1
86.09706	28.1
91.05493	19.2
93.07041	3.4
95.04963	13.3
97.02890	8.2
101.07153	5.0
102.05573	2.9
105.07009	5.8
107.04962	4.5
107.08641	2.9
108.08128	3.4
120.08109	14.4
121.06489	5.0
123.04424	9.0
124.02530	2.6
127.03959	4.5
129.10251	10.3
134.99759	3.3
136.07632	4.3
143.11829	3.2
145.04944	2.8
146.05943	3.4
147.04430	8.6
163.03938	2.4
167.07051	10.8
167.08318	2.7
175.03981	6.3
176.10736	3.1
179.07092	3.0
183.06554	2.9
190.08699	3.6
194.05788	4.5
203.13940	3.8
205.08598	4.3
206.10274	3.8
207.06509	21.1
209.08032	3.5
221.13010	3.0
225.07600	13.5
228.13406	4.2
235.13318	2.7
236.13612	4.9
250.10832	13.6
251.09151	3.3
268.11896	22.6
269.09244	5.8
302.14185	3.2
336.31522	3.1
430.21423	100.0
430.30539	5.8
454.98593	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	430.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06519	1.6
52.74615	1.7
55.01871	1.9
55.05502	2.4
56.05026	3.1
57.03438	29.3
57.07069	12.8
58.06599	2.6
59.04992	2.1
61.02914	7.7
63.04491	24.3
67.05502	2.3
69.03431	40.9
69.51105	11.9
69.80299	1.5
70.06578	4.7
71.01336	2.5
73.02522	2.4
73.02917	39.3
79.05499	2.3
81.03395	5.2
83.05001	1.9
84.04474	2.0
84.08126	3.3
85.02390	2.7
85.02905	49.6
86.09689	4.9
87.04468	20.6
87.78061	1.8
91.03953	2.9
91.05474	3.5
95.04958	4.2
95.08598	2.3
97.02890	46.6
98.20779	3.5
105.07002	2.0
107.04971	4.6
107.08566	2.5
109.02846	3.0
109.06531	3.5
115.03930	56.1
119.10692	100.0
120.53793	1.6
121.06483	2.6
123.08054	2.3
123.22664	1.7
127.03969	11.0
131.04953	2.2
131.08575	1.8
133.04967	35.3
133.10089	2.5
137.05995	2.2
137.09547	2.1
145.04965	10.9
146.05980	2.3
147.04379	3.4
148.07596	1.7
149.06052	2.7
157.15263	1.8
159.04433	2.9
163.05981	3.5
165.05443	5.3
167.06989	3.3
177.20593	1.5
193.04988	5.5
204.08669	3.2
220.16908	4.4
223.06082	4.6
232.17020	4.0
233.15489	2.1
236.09308	6.7
241.07060	2.7
250.10767	5.7
250.18098	8.5
259.08072	2.7
268.11835	12.6
281.15967	3.4
412.12924	3.4
430.13879	8.6
430.17603	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	430.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89692	2.1
53.03936	6.0
55.01857	3.7
55.05500	7.3
56.05027	8.2
57.03431	3.8
58.06599	16.3
59.04993	9.1
60.04543	1.9
61.02917	5.0
66.23727	2.0
67.05491	6.1
69.03432	24.8
69.19395	20.8
70.06588	10.2
71.01348	2.3
71.04985	2.9
73.02919	2.9
74.06068	3.5
74.88232	2.1
79.05505	11.6
81.03426	17.6
81.07049	8.7
82.03719	2.1
82.06573	3.8
82.58353	2.2
83.04968	6.0
83.08635	2.9
85.02906	31.1
86.06062	2.3
87.04452	3.4
91.03951	3.1
91.05481	12.7
93.07038	9.0
94.06566	5.3
95.04971	11.3
95.08593	3.8
96.08125	2.5
97.02903	15.5
98.06036	5.3
98.20801	3.4
99.04465	3.1
101.06038	6.1
103.05466	7.8
105.07037	15.8
106.06541	4.5
107.04958	24.9
107.08586	31.9
108.08089	2.6
108.67689	2.0
109.02872	9.4
109.06493	6.7
109.10159	4.9
110.06075	3.8
111.04433	2.9
111.08083	3.2
112.07579	4.8
114.05560	2.7
117.07034	2.5
118.06575	1.9
119.04947	6.5
119.08585	14.5
119.22836	1.7
120.04469	2.2
120.08103	6.3
121.06509	7.7
121.10145	4.7
122.06033	6.9
122.09665	5.1
123.04440	5.7
123.08079	10.1
124.03973	2.3
124.07587	2.8
125.02337	4.1
126.05549	5.4
127.03893	7.6
131.04941	10.2
131.08574	3.8
133.06459	2.7
133.10165	3.0
134.09628	9.3
135.04414	3.8
135.08032	5.9
135.11699	6.6
136.07573	2.2
136.11150	2.8
137.06007	4.7
137.09612	37.3
139.03882	10.7
144.08080	3.5
145.04956	3.9
145.10106	5.2
146.06018	2.4
147.04332	10.3
147.08069	2.3
147.11685	7.9
148.07600	13.3
148.11189	5.1
149.05945	6.0
149.09602	5.8
151.03899	6.9
151.07425	3.1
152.07056	8.4
153.09077	3.8
156.09427	3.1
157.10101	2.2
159.04417	14.2
161.02353	3.8
161.13254	5.0
162.09094	5.2
162.12753	3.7
163.07513	2.2
163.11162	2.9
165.05482	21.0
165.09167	2.1
167.07080	16.0
168.06511	2.6
172.07602	5.1
173.06039	2.7
173.13232	4.3
175.03906	5.3
176.07033	10.1
177.05424	10.5
179.07018	8.2
180.13831	6.9
186.07678	6.2
189.12791	7.3
190.08623	11.7
191.07094	14.6
192.06676	2.5
193.04987	23.7
193.12355	2.3
194.08023	2.3
194.12570	4.6
195.06445	2.5
200.07065	3.3
203.14310	4.0
204.08644	17.8
204.17407	3.7
207.06473	7.6
207.13844	9.3
208.09682	3.9
209.08113	11.2
211.13284	6.6
212.13596	8.7
218.08141	20.1
220.16969	22.6
222.11319	2.2
224.09100	2.4
225.14879	5.3
232.09682	3.8
232.17004	17.3
233.08063	7.6
233.15353	5.6
236.09195	35.3
249.68005	2.1
250.10747	47.3
250.18045	42.1
268.11807	100.0
269.12152	5.6
342.67154	2.4
379.72568	2.0
430.17130	44.4
430.22574	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	430.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42092	1.1
52.05268	1.2
53.03941	1.5
55.01872	1.1
55.05502	1.5
57.03430	1.4
58.06585	2.7
67.05508	7.8
69.03419	4.7
69.07061	2.9
69.57656	8.3
70.06586	3.8
71.04987	1.9
72.08160	2.6
73.02948	1.4
79.05481	3.1
81.03421	2.2
81.07054	2.6
83.04973	2.9
84.04496	1.2
84.08132	1.9
85.02914	10.6
85.06538	4.6
86.06062	3.1
86.09704	4.8
91.05490	3.8
93.07056	5.6
94.06561	2.3
94.96207	1.1
95.04971	2.9
95.08611	27.2
96.08135	2.2
97.02891	4.4
97.06551	2.3
98.06060	1.9
98.20787	2.5
99.04441	1.4
105.07018	6.2
107.04933	1.8
107.08592	5.7
107.73753	1.1
108.08119	100.0
109.02869	1.5
109.06522	5.2
109.08424	1.4
109.10176	3.0
110.06033	6.0
112.07600	2.5
113.06021	4.4
119.08597	9.4
121.06515	2.0
121.10155	10.5
122.09699	2.5
123.08065	14.7
126.09164	4.9
127.03924	2.4
131.08563	4.5
133.10126	5.3
134.09633	2.2
135.08090	1.5
135.10637	1.2
135.11708	5.1
136.11226	2.1
137.09599	1.4
138.09187	1.3
143.08604	1.7
145.08707	1.2
145.10117	3.7
147.10590	1.6
147.11633	7.2
148.11201	3.9
149.09605	10.8
150.12799	7.7
151.07536	1.6
152.10753	1.7
157.10043	1.4
159.11679	1.7
160.07384	1.2
161.08365	6.7
161.09572	2.3
161.13313	4.4
162.12823	4.4
163.11198	5.1
165.05389	1.6
165.07591	1.1
165.09108	1.7
165.12794	3.4
167.10745	2.0
169.17490	1.1
169.39568	1.3
171.11639	1.9
173.13229	3.1
174.09137	2.1
174.12833	2.3
175.11218	2.6
176.10710	52.5
177.11156	1.8
180.13936	1.4
187.14815	2.0
188.09204	1.3
189.12820	10.5
190.12311	3.8
190.15810	2.3
191.14272	4.3
193.04964	1.7
194.11787	2.9
204.13928	2.0
206.10260	7.5
206.15388	2.1
207.13794	33.2
207.15768	1.7
208.14139	1.9
208.16948	2.7
222.18527	1.7
225.14827	2.0
232.16980	25.0
233.15329	6.6
233.17433	2.4
250.18042	63.4
251.16362	2.5
268.11835	2.5
268.19150	5.9
356.16974	9.5
383.47559	1.5
383.52774	1.3
412.23343	9.1
430.18350	1.5
430.24484	12.6
431.18326	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	430.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13145	2.5
55.01868	2.5
55.05509	6.5
57.03428	6.8
57.07072	3.2
58.06599	7.4
59.04997	4.5
61.02910	7.1
63.04475	5.1
65.03934	2.7
67.05497	7.4
68.81258	2.8
69.03430	25.2
69.07066	4.9
70.06594	26.4
70.98729	3.6
70.99075	5.6
72.08167	4.1
73.02906	11.5
79.05490	9.7
81.03430	7.2
81.07057	12.1
83.04994	7.5
84.04507	8.0
84.08135	7.7
85.02903	26.0
86.06069	3.5
86.09708	23.6
89.81225	2.6
91.05482	10.5
93.07048	14.7
95.04974	7.3
95.08607	9.3
96.04497	3.7
96.08126	6.1
97.02892	16.4
97.06528	4.7
98.06079	4.0
103.05469	3.4
105.07025	20.1
107.04963	6.8
107.08582	23.0
108.08120	6.7
109.02875	5.0
109.06496	5.3
109.10175	5.4
110.06009	3.9
115.03941	9.1
116.07088	3.0
119.08597	23.6
119.10705	17.8
120.08105	4.1
121.06512	6.7
121.10132	18.0
122.09708	5.2
123.04438	4.6
123.08076	8.7
124.07622	9.5
125.06110	2.6
127.03924	5.0
129.10251	2.7
131.08575	10.1
133.04988	6.0
133.06511	5.7
133.10130	11.1
134.09621	18.1
135.08032	6.7
135.11658	5.3
136.11240	15.1
137.09644	17.6
145.04997	5.7
145.10141	15.4
146.06038	3.3
147.07962	3.5
147.11708	8.4
148.07524	4.0
148.11212	17.3
149.05978	2.5
149.09605	9.8
149.11995	2.6
153.09126	3.0
157.10118	3.9
159.11710	6.6
161.09653	7.1
161.13318	5.0
162.09082	4.3
162.12715	6.0
163.11192	4.8
164.10695	7.4
165.05505	5.4
171.11652	5.7
173.13272	7.3
175.11089	3.8
176.10701	7.9
177.12794	3.4
180.13815	16.8
185.13249	2.8
188.14449	4.4
189.12619	7.4
190.12173	3.8
192.13870	3.1
193.05013	4.8
203.14348	9.7
204.08551	4.4
204.17476	8.6
205.15979	3.3
206.10295	6.8
207.13840	7.1
214.15948	4.3
215.14293	8.0
218.08133	2.8
220.16963	57.2
229.11856	3.3
232.16948	40.2
233.15298	15.4
236.09207	7.0
236.13733	4.7
250.10742	5.8
250.18044	100.0
268.11841	15.0
268.16061	2.7
268.19125	11.1
412.13120	2.7
412.23380	7.1
430.17340	8.3
430.24289	31.0
431.18307	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	430.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.2
56.05060	4.0
60.04505	3.7
67.05495	16.4
69.03429	8.5
69.07082	9.2
71.50100	5.9
71.50491	3.9
79.05489	15.3
81.07069	16.2
82.06583	4.8
83.04975	3.9
91.05482	12.8
93.07061	20.4
94.06575	22.0
95.04995	4.3
95.08607	28.4
97.06573	3.4
97.30457	4.1
104.89668	3.6
105.07021	18.1
109.10121	6.5
110.09685	8.5
111.08102	12.2
119.08611	5.7
121.10123	6.0
122.09684	29.5
122.18314	3.7
123.08028	18.9
128.10722	40.4
140.10706	100.0
141.09062	6.3
158.11786	9.2
211.95439	3.6
239.60001	3.6
272.25763	6.2
277.21667	5.6
295.22702	5.5
312.27615	3.5
315.16391	4.7
316.06229	3.4
333.17377	16.4
351.18362	7.5
352.18124	3.8
370.09628	3.6
382.33548	4.3
394.33167	14.2
412.34216	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	431.1339
Annotation	Alternanthin
Peak:m/z	Relative Intensity
53.03918	1.8
55.01831	2.8
55.05468	7.3
56.96521	0.9
57.03393	2.8
57.07044	1.7
58.06585	1.5
61.02890	2.6
61.20724	0.7
65.03901	1.4
67.05512	8.9
68.99772	1.6
69.03433	4.0
69.07069	15.1
70.06541	2.4
70.75420	1.5
70.75775	1.6
71.04969	1.7
71.78650	0.8
72.08161	17.0
73.06539	0.9
74.15092	0.7
79.05495	12.1
81.03375	3.3
81.07064	12.5
83.04915	2.7
83.08583	3.4
84.08111	1.9
85.02922	5.3
85.06510	1.4
86.06032	1.2
86.09662	3.2
87.04433	1.1
90.09193	8.9
91.03933	1.6
91.05477	4.4
92.90056	0.7
93.07062	8.4
95.01286	0.9
95.04980	3.7
95.08613	10.0
97.02850	3.3
97.06532	21.1
97.10123	1.4
98.06048	5.2
98.06658	1.0
98.97551	1.1
98.98447	0.7
99.04410	0.9
103.05412	0.8
105.03323	1.1
105.07034	4.6
107.04911	2.2
107.08603	5.6
109.02860	1.5
109.06487	1.7
109.10157	6.1
111.04366	1.1
111.08034	2.0
115.05368	1.0
119.04953	1.3
119.08576	5.4
120.71644	0.7
121.02882	1.3
121.06459	1.4
121.10169	3.7
123.04408	1.2
123.08069	1.4
123.11677	2.2
125.09596	2.1
127.03877	1.8
131.04868	0.9
131.08577	1.8
131.58949	0.8
133.06360	1.1
133.10115	3.7
134.99666	0.9
135.07983	1.3
135.11647	2.3
137.02307	1.7
137.05928	2.4
137.09590	1.8
137.13255	1.0
143.08493	1.5
144.13838	12.1
145.06474	1.5
145.10115	2.1
147.04416	0.8
147.11613	2.6
149.09586	1.4
149.13202	2.3
151.11153	0.8
153.01817	6.8
153.12704	1.1
157.10101	1.6
159.04425	1.0
159.07950	0.8
159.11682	2.2
161.05951	1.5
161.09608	1.0
161.13161	1.5
165.01813	2.6
165.05392	1.8
167.07018	2.9
173.05997	1.7
173.13188	1.1
175.07451	0.9
175.11267	0.7
175.14873	1.0
176.39673	0.8
177.05447	1.3
177.12772	0.7
179.03423	1.2
181.04942	1.9
181.08601	1.0
183.11749	0.8
184.16963	1.9
187.03946	1.0
189.05376	2.0
195.13794	0.9
196.13457	0.8
199.03883	0.8
201.05440	2.8
204.06718	0.9
207.13774	0.9
213.05600	0.8
214.14377	2.5
215.07118	1.8
215.14714	2.7
217.04977	9.4
228.04317	1.1
229.03209	0.8
229.05019	7.8
233.11668	1.5
234.11984	2.8
241.04863	0.8
243.06450	3.8
243.11336	1.2
245.04472	14.7
252.12988	0.9
253.04886	0.9
257.04358	4.8
257.38010	0.9
269.04431	6.3
269.12381	2.4
269.17435	2.1
271.06070	4.5
273.03983	13.8
279.68988	0.7
284.03351	1.2
285.03946	7.5
287.05615	1.2
292.26373	1.1
299.05502	25.1
301.03427	30.3
302.04102	2.7
303.04987	12.4
306.27930	5.2
309.07684	0.8
310.27411	1.8
311.05487	1.7
313.03430	74.4
314.03854	1.6
324.28973	2.2
325.07025	7.9
326.04282	5.9
327.05209	1.2
327.08615	6.2
328.28342	1.6
342.29819	0.9
355.08139	100.0
356.08435	2.5
381.09665	4.7
395.36304	2.2
399.10764	67.3
400.11108	1.2
408.83145	0.9
413.12332	5.8
413.37357	7.4
430.36237	1.2
431.13409	92.3
431.18579	5.3
431.38470	71.6
432.13788	1.6
447.03262	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	431.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61105	0.6
52.69317	0.6
56.96564	1.2
58.20956	0.5
59.79423	0.5
63.99411	0.6
69.03428	1.1
69.73669	3.1
70.06581	0.7
84.04507	1.1
85.02899	2.0
86.09709	1.0
91.05791	0.8
97.02878	1.5
98.21481	0.7
98.98479	1.2
105.91784	0.6
116.98607	1.0
124.03963	0.9
126.05507	1.6
131.53294	0.6
133.42278	0.6
153.05598	0.6
155.82031	0.6
161.03096	0.6
167.07021	0.7
177.00540	0.8
269.09821	1.0
277.58585	0.6
320.76999	0.6
328.93396	0.7
335.79297	0.7
371.04507	0.7
431.15250	100.0
432.15768	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	431.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.5
67.05497	2.3
69.07067	2.3
70.98077	1.3
71.50295	1.9
81.07071	3.0
83.08596	1.2
90.56739	1.3
91.05492	2.6
93.07030	2.1
95.08595	4.2
98.98448	1.7
100.73477	1.3
105.07040	1.9
107.08576	1.6
112.99992	2.6
117.27337	1.3
118.69267	1.3
119.08541	3.6
121.10125	3.0
131.08617	2.4
169.02628	2.0
189.12523	1.7
190.96310	1.7
253.13614	1.3
262.11810	2.4
275.81488	1.5
362.20535	4.2
371.92389	1.4
431.27640	100.0
432.28403	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	432.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01864	2.2
56.05040	1.7
57.03436	2.4
58.06602	76.3
61.02921	3.8
61.89475	1.3
66.97005	1.2
69.03430	8.8
69.45321	10.2
70.06597	1.5
75.10428	1.3
79.05502	3.8
80.05018	1.7
81.03411	3.8
81.07049	1.7
84.04475	1.4
85.02911	17.6
91.05479	3.4
93.07011	3.0
94.06562	2.8
95.04952	2.2
96.08109	1.5
97.02900	5.9
98.21514	2.2
99.04474	1.4
103.05441	1.4
105.07034	3.0
107.04960	8.6
107.07340	1.6
109.02896	2.9
119.08570	1.4
121.06513	6.0
124.07597	1.6
127.03909	3.3
128.07130	2.0
132.08084	3.7
133.06473	3.7
135.04448	2.5
139.03922	3.8
145.02864	4.4
146.09657	1.9
147.08034	1.6
148.07552	1.5
149.05965	8.5
150.09149	2.0
157.06497	2.4
159.04405	2.9
163.03923	4.0
165.05518	5.7
171.13716	1.2
174.09177	9.1
175.03862	1.7
175.07587	3.1
176.07150	2.5
177.05486	28.6
191.07028	3.6
192.10207	5.6
195.06531	5.1
202.08656	6.7
203.07111	3.3
208.09625	1.6
209.08052	2.5
210.11325	1.4
217.08606	28.6
217.10732	1.7
220.09703	9.6
221.08290	1.7
224.12767	3.4
234.11205	6.5
235.09639	2.5
238.10765	19.4
252.12329	41.1
252.14865	2.6
253.10686	3.0
254.13814	2.2
270.13370	100.0
432.18671	24.3
433.18695	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	432.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41673	7.0
53.94946	5.7
54.30888	5.1
55.05510	9.6
56.96569	6.6
57.03440	7.1
57.07087	6.5
67.05508	17.3
67.38790	5.8
69.03429	9.8
69.07075	14.5
69.80431	29.0
79.05511	25.8
81.07057	100.0
83.05000	7.4
85.02930	13.3
91.05503	14.2
93.07050	22.7
95.04965	8.1
95.08591	50.4
97.06544	26.6
97.10169	6.9
105.07011	30.4
106.83147	6.5
107.08574	29.1
109.06521	6.7
109.10205	27.4
111.04448	7.8
119.08575	50.8
121.10196	12.5
123.08121	7.7
123.11740	23.5
133.10162	26.6
135.08133	7.6
135.11720	16.7
136.38190	5.4
145.10197	8.4
147.11670	12.3
159.11708	8.4
161.13242	37.5
163.03955	23.1
189.16396	80.7
213.09137	11.9
217.15945	17.1
235.16934	56.1
241.08501	11.3
259.09717	15.1
262.43085	6.0
333.66626	6.2
433.14999	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	433.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01879	11.8
55.05510	36.5
57.03430	7.9
57.07065	1.8
59.04986	1.7
61.31543	1.0
65.03922	5.9
67.05505	44.3
69.03436	6.3
69.07068	15.3
69.48721	8.2
71.04977	3.9
73.02914	1.1
75.04479	1.0
77.03913	1.4
79.05492	55.3
81.03419	9.5
81.07057	42.3
83.04981	7.7
83.08619	17.4
85.02877	2.6
85.06542	3.3
91.05483	44.2
92.05777	1.4
93.03407	1.3
93.07046	37.9
95.04969	39.7
95.08602	25.4
97.02876	1.3
97.06535	12.9
97.10167	22.8
99.04411	1.1
99.08088	1.8
101.05991	1.2
103.05459	3.7
105.03374	2.5
105.07034	34.5
107.04946	17.4
107.08585	26.8
109.02882	1.9
109.06523	7.8
109.10168	18.4
111.04418	3.4
111.08080	5.0
113.06035	1.4
115.05470	4.5
116.06254	2.2
117.07019	22.9
119.04922	3.0
119.08578	18.9
121.06504	20.8
121.10150	18.3
123.04470	2.6
123.08050	7.2
123.11728	3.7
125.05970	2.0
125.09632	20.9
128.06212	5.7
129.05457	4.0
129.06990	25.6
130.07741	2.1
131.04922	14.4
131.08565	30.9
133.06438	7.9
133.10130	12.4
135.04399	5.1
135.08038	11.8
135.11674	7.5
137.05977	4.0
137.09610	3.6
137.57669	1.0
139.03874	1.8
139.07552	1.8
139.11127	1.5
141.06999	10.6
142.07770	3.8
143.08536	16.3
145.02869	1.3
145.06490	25.0
145.10135	21.9
147.04388	2.7
147.08054	9.8
147.11676	6.1
149.05942	2.1
149.09619	23.1
149.13210	2.8
151.07516	2.5
151.11168	2.0
153.06953	3.6
153.09065	1.9
154.06189	2.2
154.07780	3.3
155.08565	8.2
157.06493	6.5
157.10118	9.3
159.08054	10.5
159.11678	11.3
161.05954	1.8
161.09695	5.8
161.13260	4.7
163.03903	4.7
163.11169	6.8
163.14813	1.8
165.07002	3.2
165.09106	1.5
167.07216	1.9
167.08578	6.6
168.09375	1.4
169.06512	1.9
169.10127	14.7
171.08105	5.8
171.10286	1.4
171.11673	20.6
173.05974	1.4
173.09613	9.5
173.13258	3.9
175.07570	1.0
175.11182	4.4
177.05486	1.6
177.12730	2.7
179.07130	2.8
179.08533	3.9
179.10715	1.4
181.05003	3.0
181.08609	3.0
181.10146	4.1
183.08070	3.6
183.11671	7.7
185.09666	3.8
185.13266	3.8
187.11208	11.9
187.14792	1.9
189.09164	3.7
189.11208	10.0
189.12773	14.8
191.10689	2.2
193.10132	2.4
193.12282	3.4
195.08133	1.3
195.11691	4.9
197.09595	4.3
197.13301	2.5
199.07553	1.5
199.11221	4.9
199.14796	1.9
201.09155	1.9
201.12773	3.9
201.16547	2.0
203.10684	3.5
203.14204	1.3
205.12206	9.1
207.11838	2.3
207.13808	1.5
209.08064	4.2
210.08896	6.0
211.11180	9.3
211.14827	2.1
213.09093	4.3
213.12762	4.2
213.16345	1.4
215.07121	1.4
215.10712	4.8
215.14275	1.6
217.08722	1.5
219.13715	1.4
221.13402	1.3
223.06012	4.9
223.11375	1.3
223.13301	4.9
225.12695	3.3
227.12512	5.4
229.12225	6.4
231.10117	1.8
231.13855	2.2
239.14354	1.6
241.08603	1.3
243.13818	5.0
247.13263	3.3
249.14897	2.3
257.15387	3.3
259.09760	5.8
261.14810	3.1
267.15881	2.7
273.14856	3.0
275.16306	1.3
277.19247	1.2
277.21832	2.4
279.15479	1.3
295.20572	3.2
299.20065	1.2
305.18970	4.0
313.21600	6.6
317.17358	1.5
323.20041	25.1
331.22778	3.3
341.21097	100.0
342.21359	3.1
359.22134	8.5
371.21997	1.2
377.23239	2.1
377.94681	1.2
379.22690	2.4
387.14636	1.7
397.23724	3.8
415.19382	2.4
415.24805	40.6
416.25372	2.1
433.15073	5.3
433.25867	74.6
433.30713	2.6
434.26202	2.7
446.46564	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	434.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01888	2.2
56.05035	3.2
56.71489	1.8
57.03440	3.4
58.06596	4.7
60.04520	2.4
61.02935	4.0
62.37914	1.6
63.71712	1.7
65.03941	2.2
67.05515	4.3
68.05029	5.9
69.03430	16.7
69.07063	1.6
69.53432	11.2
69.53845	4.1
70.06592	5.0
73.02904	2.7
74.06075	5.3
79.05487	8.1
80.05013	2.1
80.11517	1.6
81.03427	11.5
81.07076	4.5
82.06588	4.2
83.04961	3.4
84.04510	10.8
84.08161	3.6
85.02901	30.8
86.06073	4.7
87.04487	3.2
88.07652	7.7
88.58365	1.8
91.05489	12.3
93.07048	7.8
94.06581	21.4
95.04962	10.9
95.08604	1.8
96.08146	2.7
97.02899	18.0
97.06491	2.0
99.04460	2.5
100.07629	6.6
103.05473	3.3
105.07036	2.4
107.04960	14.8
108.08122	2.7
109.02885	7.1
109.06512	2.7
110.06078	3.9
112.03955	7.4
112.07623	7.3
117.07052	2.6
118.06554	3.8
119.04954	6.4
119.08586	2.4
120.08121	6.4
121.06516	7.8
122.06039	7.5
123.04450	8.7
124.03963	3.6
124.07600	3.9
125.02356	24.0
127.03933	7.0
130.04999	3.8
131.04932	2.6
133.06438	3.7
134.57268	2.1
136.07610	6.2
137.06030	5.1
138.05496	7.0
138.09171	2.7
139.03906	1.9
144.08086	2.6
145.04961	3.3
145.06418	2.2
146.06093	2.7
146.09668	2.7
147.04419	5.4
148.07539	12.1
148.33975	2.0
149.02354	7.2
149.06013	5.2
150.05525	3.2
151.03920	2.1
153.05466	2.6
162.05460	3.0
162.09161	3.5
163.07570	2.2
164.07094	4.8
164.10806	2.6
165.05481	4.1
166.05025	5.5
166.08678	9.0
167.03380	4.6
167.07050	3.7
172.07619	3.4
173.05940	3.8
175.03905	2.3
176.07083	2.8
177.05579	2.4
180.10141	2.2
181.04965	8.5
182.05295	4.8
188.07138	2.1
190.08611	6.9
191.07071	6.0
192.06554	8.1
192.10162	5.6
193.04974	4.0
193.08562	3.6
195.06523	1.9
208.09677	3.4
210.07669	14.9
210.11263	14.2
211.06056	6.7
218.08167	7.7
219.06595	3.8
228.08632	2.2
228.12352	2.5
236.09174	35.5
236.11397	3.2
254.10254	100.0
256.11798	2.6
272.11307	25.1
372.96960	1.8
404.14120	5.3
416.15591	20.6
434.16446	21.3
435.17789	2.4
439.42255	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	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01865	2.4
57.03438	29.3
58.06600	2.0
59.05001	1.5
60.04536	1.3
61.02924	11.6
64.12137	1.3
67.29885	1.2
69.03049	2.4
69.03429	41.3
69.03787	2.8
69.68382	7.0
71.01375	2.4
71.04990	1.4
72.76076	1.1
73.02917	48.2
81.03422	5.8
85.02908	100.0
87.04467	14.4
91.03947	4.5
95.04950	1.7
96.04523	1.3
97.02895	62.8
99.04470	3.5
105.07049	9.4
107.04945	7.6
109.02859	7.8
112.07602	4.1
115.03927	51.4
127.03915	29.9
130.07539	1.4
132.06590	1.3
133.04962	34.4
145.04955	43.6
147.08066	2.7
149.05951	1.5
150.07625	6.4
159.08133	1.8
163.06020	28.9
163.07433	1.7
165.05482	4.2
167.07036	2.8
177.05524	2.5
181.04980	4.0
201.09157	4.3
219.10208	2.6
223.06007	3.1
229.95642	1.5
233.08116	2.0
241.07024	6.1
254.13699	4.3
259.08157	5.2
261.28201	1.3
272.14063	6.4
285.13373	5.7
295.10284	2.9
402.21021	2.1
431.75552	1.3
434.19540	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01865	2.4
57.03438	29.3
58.06600	2.0
59.05001	1.5
60.04536	1.3
61.02924	11.6
64.12137	1.3
67.29885	1.2
69.03049	2.4
69.03429	41.3
69.03787	2.8
69.68382	7.0
71.01375	2.4
71.04990	1.4
72.76076	1.1
73.02917	48.2
81.03422	5.8
85.02908	100.0
87.04467	14.4
91.03947	4.5
95.04950	1.7
96.04523	1.3
97.02895	62.8
99.04470	3.5
105.07049	9.4
107.04945	7.6
109.02859	7.8
112.07602	4.1
115.03927	51.4
127.03915	29.9
130.07539	1.4
132.06590	1.3
133.04962	34.4
145.04955	43.6
147.08066	2.7
149.05951	1.5
150.07625	6.4
159.08133	1.8
163.06020	28.9
163.07433	1.7
165.05482	4.2
167.07036	2.8
177.05524	2.5
181.04980	4.0
201.09157	4.3
219.10208	2.6
223.06007	3.1
229.95642	1.5
233.08116	2.0
241.07024	6.1
254.13699	4.3
259.08157	5.2
261.28201	1.3
272.14063	6.4
285.13373	5.7
295.10284	2.9
402.21021	2.1
431.75552	1.3
434.19540	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01865	2.4
57.03438	29.3
58.06600	2.0
59.05001	1.5
60.04536	1.3
61.02924	11.6
64.12137	1.3
67.29885	1.2
69.03049	2.4
69.03429	41.3
69.03787	2.8
69.68382	7.0
71.01375	2.4
71.04990	1.4
72.76076	1.1
73.02917	48.2
81.03422	5.8
85.02908	100.0
87.04467	14.4
91.03947	4.5
95.04950	1.7
96.04523	1.3
97.02895	62.8
99.04470	3.5
105.07049	9.4
107.04945	7.6
109.02859	7.8
112.07602	4.1
115.03927	51.4
127.03915	29.9
130.07539	1.4
132.06590	1.3
133.04962	34.4
145.04955	43.6
147.08066	2.7
149.05951	1.5
150.07625	6.4
159.08133	1.8
163.06020	28.9
163.07433	1.7
165.05482	4.2
167.07036	2.8
177.05524	2.5
181.04980	4.0
201.09157	4.3
219.10208	2.6
223.06007	3.1
229.95642	1.5
233.08116	2.0
241.07024	6.1
254.13699	4.3
259.08157	5.2
261.28201	1.3
272.14063	6.4
285.13373	5.7
295.10284	2.9
402.21021	2.1
431.75552	1.3
434.19540	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.8
55.05507	56.9
56.96532	7.1
57.03434	19.6
59.04980	6.2
67.05503	100.0
69.03412	5.9
69.07056	18.5
70.75659	16.1
73.02909	5.6
79.05493	41.2
81.03413	16.5
81.07050	50.3
83.04968	14.1
83.08621	25.7
85.02895	24.8
87.04464	19.5
91.05483	18.2
93.07024	18.1
95.04964	13.7
95.08620	24.9
97.02902	6.3
97.06525	8.4
97.10167	37.9
103.03950	10.9
105.07041	10.5
107.04968	11.8
107.08599	24.2
109.06506	9.5
109.10155	85.4
111.04411	6.8
111.08073	7.6
117.07008	6.6
118.30922	4.2
119.08588	18.2
121.10087	7.5
125.09638	60.8
131.08577	9.4
133.10150	5.9
135.11700	10.6
137.09586	4.5
142.43524	5.0
143.10660	11.0
145.10141	12.9
153.12761	11.7
155.10652	8.6
162.94920	5.6
163.11214	20.0
173.11749	45.3
181.12210	8.4
199.13327	15.0
209.11703	16.4
227.12714	6.2
229.14368	64.7
257.13965	22.8
277.17886	4.8
291.08792	6.4
292.09055	8.4
301.16467	19.6
354.21991	6.0
358.99698	4.9
392.17865	13.5
395.87833	4.7
434.27957	6.0
434.38321	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	434.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
55.01862	9.9
55.05500	15.3
56.96555	10.6
57.03421	9.2
59.04990	8.9
61.02908	7.4
65.03931	9.3
67.05503	35.1
68.05816	7.0
69.03418	19.7
69.07064	28.3
69.21037	32.0
69.21445	12.4
70.06574	12.7
71.04977	19.7
72.08152	9.0
73.02911	4.7
79.05493	40.0
80.05806	5.8
80.96719	4.1
81.03391	4.4
81.07059	42.1
83.04968	18.0
83.08587	4.0
84.08126	6.5
85.02899	23.8
85.06526	9.2
86.09699	9.1
91.05480	22.8
91.57844	3.9
93.03337	4.4
93.05711	4.6
93.07033	21.8
94.06539	4.6
94.07387	4.8
95.04978	43.7
95.08576	23.3
96.05251	6.5
97.02879	9.1
97.06528	100.0
97.10179	6.4
98.06868	11.7
98.97617	6.7
105.07010	30.9
106.04208	4.9
107.04941	19.4
107.08594	29.1
109.02885	5.7
109.06513	9.5
109.10150	18.9
110.10477	6.6
111.04417	21.8
112.04790	6.7
115.05490	4.4
119.08550	23.3
120.08102	6.2
121.06477	11.3
121.10105	16.2
122.10467	5.4
123.04427	8.1
123.08031	6.4
123.11683	6.8
125.09585	10.2
127.03873	7.8
128.06201	5.1
129.05478	6.8
129.07011	5.5
131.04944	6.8
131.08548	12.4
133.10124	43.2
135.04366	14.3
135.08165	4.5
137.05981	7.5
139.03860	17.9
143.10677	14.0
145.10149	13.7
147.04297	5.7
147.11670	11.0
148.19778	4.4
149.13254	10.5
151.03882	7.2
151.11139	8.1
154.88763	4.1
157.04993	7.3
157.06403	6.3
159.11665	9.7
161.01112	7.8
161.02347	10.2
161.05916	9.7
161.13284	8.2
163.03914	32.0
164.04297	8.4
165.05489	5.4
167.07059	21.7
167.08357	5.8
167.14368	22.5
173.02330	12.7
173.05966	6.8
175.07579	6.2
177.05467	7.3
179.14270	4.7
181.04976	24.2
197.06027	6.1
200.04607	5.7
201.09155	6.3
201.16418	9.0
202.09518	10.7
203.10281	5.0
209.08212	4.9
213.09039	13.5
214.09430	18.6
215.07024	18.7
216.07372	9.5
217.08546	7.0
218.05489	4.7
218.08981	8.7
219.17441	30.7
231.10159	7.8
232.10420	9.9
233.08116	8.6
237.00624	6.2
237.18538	7.7
241.08559	8.5
242.09065	10.0
248.09151	10.2
250.10606	5.9
255.01414	8.6
259.09662	38.2
260.09982	28.1
299.08923	8.0
346.09988	5.4
388.14600	9.9
416.14395	6.5
434.15121	63.5
435.15445	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	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84883	3.2
55.05513	19.1
57.03440	3.3
57.07064	6.6
59.04968	3.3
59.85958	3.5
61.02913	5.4
65.03942	6.9
67.05510	25.3
69.03424	10.7
69.07059	21.4
69.20024	25.9
69.20448	11.7
71.04985	32.0
73.02925	3.5
79.05483	22.8
81.03413	4.0
81.07053	45.5
83.04970	5.0
83.08611	9.2
85.02893	25.4
85.06524	5.5
86.09734	4.0
91.05477	22.6
93.07040	56.2
95.04960	8.6
95.08601	72.0
97.02881	6.6
97.06536	20.8
105.07034	79.4
107.04949	10.2
107.08591	61.7
109.02901	4.0
109.06498	5.6
109.10159	30.9
111.04392	4.3
111.08083	4.5
115.05515	3.4
117.06985	6.2
119.08586	40.3
121.06497	4.8
121.10144	35.4
123.11697	10.4
125.09613	24.9
127.03912	6.1
127.11140	4.4
129.07002	3.7
131.08569	11.2
131.74617	3.6
132.09369	4.0
133.10126	93.0
135.11694	14.1
137.05928	4.7
143.10678	27.7
145.04865	3.9
145.06490	5.7
145.10121	26.4
147.11693	44.0
149.13255	53.4
151.11095	4.3
159.11674	22.1
161.13257	13.4
167.07037	13.1
167.14313	100.0
169.12297	3.8
181.04956	19.1
190.69160	3.5
201.05644	3.7
201.09396	3.8
201.16403	30.2
202.09550	3.7
213.09184	4.8
214.09509	4.5
215.06934	5.2
218.09001	4.7
219.14027	3.9
219.17442	82.9
233.08273	7.6
235.81822	3.7
237.00829	3.6
237.18520	10.5
242.08707	3.8
254.21153	3.8
259.09741	7.2
287.14816	4.2
318.04391	3.8
434.15237	5.5
442.03143	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	434.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	4.3
53.03928	9.0
55.01863	11.8
55.05512	13.8
56.96560	14.7
57.03447	10.7
60.03784	5.2
61.02919	7.6
64.08529	4.3
65.01825	4.4
65.03943	11.4
67.05522	30.7
68.05822	6.6
69.03426	17.0
69.07063	24.4
69.20831	28.5
69.21258	22.7
70.06587	15.6
71.04984	16.0
79.05494	50.5
80.05824	10.9
81.03404	9.4
81.07061	34.8
82.07405	5.4
82.89852	5.0
83.04971	22.7
83.08611	6.7
84.08170	6.1
85.02909	20.9
85.68082	4.5
86.09687	9.8
91.05499	16.0
92.79379	4.7
93.07034	22.6
95.04971	41.0
95.08614	20.2
97.02884	7.4
97.06528	100.0
98.06871	17.4
105.04539	7.0
105.07038	28.0
106.04192	5.3
106.07329	5.6
107.04964	15.7
107.08595	22.7
109.10148	15.4
111.04495	22.3
112.04796	8.6
117.06997	8.4
118.06610	5.8
119.08606	11.5
121.02833	5.7
121.06519	9.6
121.10135	15.3
123.04446	5.8
123.11681	6.6
125.09621	13.3
127.03891	6.3
128.06215	5.3
129.05431	5.9
131.04910	8.1
131.08507	5.5
133.02878	4.9
133.06511	5.2
133.10118	36.5
134.10513	6.8
135.04408	14.6
135.11696	7.1
137.06003	6.2
139.03899	14.3
143.10678	13.6
145.06535	9.2
145.10103	10.2
147.04449	7.8
147.11618	7.3
149.06004	6.1
149.13278	13.8
151.11166	10.1
159.11737	5.5
160.05176	7.6
161.02376	9.1
161.05911	7.3
163.03906	32.5
164.04324	15.1
165.05585	5.8
167.07069	18.0
167.14334	13.3
173.02347	18.8
173.05920	7.7
174.02734	6.8
177.05380	5.7
181.04933	24.0
189.05344	5.9
201.09019	6.0
201.16432	8.8
202.09589	14.3
203.10307	6.9
209.08109	7.5
213.09142	15.5
214.09369	24.5
215.06996	15.4
216.07475	9.8
217.08713	8.5
218.08971	9.7
219.17476	36.8
232.10490	7.4
233.08133	15.0
237.18559	5.7
241.08607	11.4
242.09036	23.0
248.09244	7.7
250.10634	5.4
254.14633	6.6
259.09729	39.9
260.09958	38.3
288.92587	4.6
299.09189	6.7
346.09918	6.8
371.54102	5.1
380.46286	4.6
388.14633	13.9
391.58881	4.8
392.10495	5.5
417.15509	7.2
434.15140	61.2
434.25766	7.7
434.31281	5.3
435.15469	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	435.1289
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.01871	0.8
55.05526	0.7
65.03934	0.9
67.01861	0.6
67.05506	0.8
68.99791	0.8
69.03427	1.8
69.07079	0.7
70.06582	0.7
71.49273	0.6
77.95791	0.4
79.05489	1.5
81.03432	1.0
81.07042	1.0
84.08135	0.5
85.02913	3.0
85.06522	0.6
86.09708	1.2
89.06009	0.6
91.05489	3.5
93.07071	0.8
95.04982	2.1
95.08618	1.1
97.02879	1.2
97.06534	2.2
105.07025	1.3
106.04185	0.4
107.04971	2.5
107.08591	0.7
109.02881	0.4
109.10137	0.5
110.03656	0.4
110.07154	0.4
111.04483	0.5
117.07042	0.7
117.21011	0.4
119.04942	8.6
119.06220	0.4
119.08588	1.1
119.33652	0.4
120.08092	0.4
121.02864	0.7
121.06457	0.5
121.10161	0.7
123.04430	2.9
127.03885	0.5
131.08504	0.6
133.10161	0.5
135.04385	0.5
136.06178	0.4
137.05917	0.8
145.06508	0.6
147.04425	32.4
148.04831	0.4
151.03874	1.0
153.01840	63.0
159.08063	0.5
161.06049	0.5
163.03908	1.0
163.07509	0.5
165.01837	0.7
167.07063	3.8
169.29961	0.4
171.02899	4.1
172.05223	1.0
172.13466	0.4
173.06088	0.6
175.07428	0.6
179.03391	0.8
181.04955	4.9
183.02910	0.5
187.07472	0.6
189.05478	1.3
191.03343	0.5
195.02910	2.1
209.08151	0.5
217.12288	0.4
218.05775	0.5
219.02940	0.6
231.02917	0.6
233.08098	3.1
237.02762	0.5
255.06587	1.2
259.09775	1.0
263.09192	0.6
265.72357	0.4
273.07590	100.0
274.07846	1.9
285.07611	0.9
339.09003	0.7
351.08524	0.5
369.09827	0.6
377.95593	0.4
399.14822	0.5
417.15427	1.7
435.22186	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	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01880	2.1
55.05507	1.5
57.03434	1.5
58.15419	0.9
63.22607	1.0
65.03941	6.1
66.05967	0.8
67.05511	4.4
69.03440	4.9
69.07068	2.3
70.06592	3.0
70.95708	1.5
70.96055	1.8
71.04974	1.1
72.08160	1.5
74.06088	1.5
78.04705	1.4
79.05489	9.2
81.03423	4.3
81.07050	2.9
82.04193	2.8
83.04980	1.4
84.08134	1.9
85.02914	6.6
86.09726	4.7
91.05495	7.4
93.03403	2.2
93.07041	1.2
94.69389	1.0
95.04973	4.8
95.08618	1.4
97.02892	2.0
97.06535	6.3
97.13988	0.8
103.05466	2.9
105.07053	3.2
106.04173	2.8
106.78947	0.9
107.04954	19.6
107.08640	1.7
108.02132	1.3
109.06529	2.2
110.03648	3.2
111.04460	3.2
115.05484	5.2
116.06207	1.3
117.07009	5.2
119.04929	2.5
119.08466	1.2
120.08117	1.7
121.02874	0.9
121.06519	4.3
121.10126	1.0
123.04454	4.4
124.05172	4.4
125.05996	5.3
127.03915	3.7
128.06224	1.9
129.07036	3.8
130.06520	1.2
131.04959	3.0
131.08551	3.9
133.06493	3.2
135.04349	1.4
137.05952	1.9
138.03104	2.1
141.07022	2.5
142.02621	2.9
143.04959	1.0
144.05698	4.7
145.06476	9.8
147.04427	3.5
147.08066	1.7
149.05977	3.8
152.04674	1.1
153.05496	1.8
155.04852	1.3
155.05994	1.2
155.07108	1.2
155.41475	0.9
156.05663	0.9
157.06476	2.8
157.07637	1.0
158.06017	1.6
159.04417	1.6
159.08044	3.9
161.05998	5.9
163.03938	1.6
165.05421	1.5
166.02664	1.0
167.07039	52.1
171.06598	7.6
172.05211	13.4
173.05981	6.7
175.07504	2.3
176.08394	1.3
177.05466	3.2
177.09061	1.3
179.07011	1.2
181.04956	100.0
181.08495	2.9
182.05360	1.5
183.06618	1.4
187.07512	8.6
189.05467	3.9
190.06200	2.8
191.07001	2.2
191.10695	2.3
193.04939	1.3
193.08582	1.2
195.06496	2.5
200.04730	6.9
201.05464	7.9
203.06937	1.1
204.10233	2.5
205.08467	4.3
206.05780	3.0
207.06534	3.0
207.10149	1.2
209.06126	1.6
209.08110	4.4
217.08621	2.8
218.05702	11.7
219.06367	1.7
219.08266	1.4
219.10069	4.7
221.08040	7.0
224.12888	1.1
227.07033	2.9
231.06435	2.1
233.08081	67.9
234.08519	1.4
235.07613	1.3
235.09634	2.1
245.08138	2.8
250.06183	1.3
251.09190	4.0
255.06502	4.8
255.11272	1.3
263.06931	1.4
263.09192	10.7
267.06277	1.0
273.07715	1.1
273.12140	1.0
279.06534	1.1
279.09976	1.3
280.07239	1.0
291.06671	1.1
292.07571	1.0
293.08051	1.7
295.09811	1.1
307.09821	1.8
309.07446	1.3
323.09015	1.3
331.08057	1.7
335.09152	1.1
339.12277	2.0
344.12781	1.3
346.10440	1.3
355.11777	3.6
356.12292	1.5
367.11670	3.3
371.14935	1.6
381.13409	2.7
387.14401	7.1
391.25906	0.9
399.14316	4.5
417.15451	39.1
417.23877	2.0
418.15704	1.2
419.34705	1.0
435.12921	1.8
435.19833	5.1
435.25342	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	435.1654
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03937	1.7
55.01868	2.7
55.05502	2.8
56.96552	1.0
57.03434	1.2
65.03943	7.4
67.05507	6.1
69.03440	4.6
69.07052	2.8
70.06571	1.2
71.04975	0.8
71.48737	0.9
77.03968	0.8
78.04693	1.5
79.05500	9.2
81.03432	4.6
81.07058	4.7
82.04185	2.8
83.04980	1.7
83.08614	1.2
84.08157	0.9
85.02911	5.8
86.09719	1.5
91.05498	5.8
93.03400	2.2
93.07053	3.0
94.04157	0.7
95.04982	5.5
95.08591	2.5
97.02877	0.8
97.06544	9.8
98.06821	0.7
98.09818	0.6
100.07574	0.7
100.11267	4.8
103.05477	1.9
105.03427	0.7
105.04482	0.9
105.07029	3.0
106.04174	2.5
107.04963	18.2
107.08618	2.1
107.51373	0.6
108.02107	2.8
109.06510	2.0
109.10134	1.4
110.03678	4.0
111.04465	3.4
115.05473	4.3
116.06252	0.8
117.07038	4.1
119.04980	1.1
119.08591	1.8
120.02038	1.0
120.08096	0.8
121.06515	3.4
121.10144	0.9
122.03638	1.0
123.04427	4.1
123.11692	1.0
124.05221	3.6
125.05981	4.2
125.09600	0.7
125.94340	0.7
127.03915	5.0
128.06229	1.8
129.06992	2.4
130.04189	1.0
131.04939	2.0
131.08585	3.3
133.06514	3.2
133.10117	1.2
135.04401	1.0
135.11732	1.0
137.05963	2.3
138.03149	1.9
141.06987	1.9
142.02667	1.3
143.04921	1.3
144.05727	3.8
145.06491	10.1
145.10168	1.1
147.04434	2.4
147.08018	1.7
147.11707	0.8
149.05992	3.3
151.03954	1.2
152.04671	2.1
153.01793	1.7
153.05467	1.5
153.09032	0.8
155.04953	1.2
155.05974	1.2
155.07033	2.4
155.08296	0.9
156.05733	1.0
157.06487	3.5
159.04431	1.1
159.08067	4.1
161.06032	4.8
161.09621	0.9
163.03922	1.6
165.05479	1.5
166.02644	1.1
167.07053	50.6
168.07455	1.2
171.04395	0.8
171.06578	6.4
172.05196	11.3
173.05995	6.7
175.03992	1.0
175.07556	2.6
176.08362	0.8
177.05493	2.6
177.09142	1.2
177.12767	0.8
179.07077	0.9
181.04964	100.0
182.05316	2.2
182.15417	2.9
183.06575	1.5
185.06020	1.2
187.07492	8.4
189.05458	3.0
190.06255	1.5
191.06982	2.3
191.10735	3.2
193.08582	1.0
195.06543	2.0
195.08139	0.7
200.04672	4.2
201.05501	5.9
203.03333	1.1
203.07010	1.9
205.08583	5.7
206.05772	3.0
207.06462	1.5
207.10126	1.1
209.08072	4.0
209.16455	0.8
210.14900	4.5
211.05891	0.8
213.05460	0.7
215.06982	1.6
217.08580	1.4
218.05751	7.3
219.06453	1.1
219.10068	5.1
221.08090	7.2
225.07396	0.7
231.06393	1.0
233.08096	58.6
234.08463	1.7
235.07591	1.0
235.09540	2.9
239.08186	2.8
245.08139	2.8
251.08995	2.9
253.09665	2.0
254.10460	1.3
259.09689	1.7
263.06931	1.1
263.09198	12.1
264.07770	1.4
264.50394	0.6
273.07587	1.7
277.08655	1.1
279.06686	0.8
291.06393	0.8
292.07257	0.8
293.07925	0.9
295.10043	1.5
299.09274	1.6
306.08765	0.7
307.09662	1.9
309.07553	1.2
311.09561	0.7
323.09158	1.7
335.09311	0.7
337.10715	0.9
339.12338	2.2
344.12222	1.0
346.10089	0.9
355.11740	4.1
357.13702	0.8
367.11819	4.2
368.12610	1.1
371.11008	0.9
371.15094	1.4
372.12070	1.1
373.12817	0.9
381.13406	2.8
384.12161	1.0
387.14395	10.0
396.68417	0.7
399.14456	5.5
417.15530	27.3
418.16077	1.4
435.16251	2.3
435.32748	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	435.1649
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03941	3.3
55.01870	2.4
55.05517	1.2
57.03429	4.5
61.02915	1.7
62.03524	1.2
63.81618	1.2
63.99665	1.4
65.03940	7.9
67.05499	5.1
69.03433	10.3
69.27695	2.4
69.28104	9.3
72.08154	1.3
73.02914	4.6
79.05479	8.6
81.03401	4.1
81.07066	1.9
82.04202	2.9
85.02907	16.5
86.03226	2.1
86.09714	1.5
87.04453	5.3
88.04797	1.3
91.05469	5.3
93.03398	2.0
95.04964	5.0
97.02892	8.0
97.06536	3.2
98.03245	3.4
98.21539	2.4
100.07602	1.6
103.05453	2.1
105.07045	5.9
106.07336	1.8
107.04961	20.2
109.02866	3.3
109.71859	1.0
110.03672	3.3
111.04411	1.5
114.52705	1.3
115.03944	6.4
115.05428	4.7
115.24643	1.2
116.04291	1.6
116.06242	1.6
117.07014	4.9
117.60940	1.2
120.08095	2.0
120.08937	1.4
121.06503	1.5
123.04395	4.0
124.05208	3.5
125.05965	3.9
127.03909	7.0
129.06993	5.3
131.04921	1.5
131.08604	1.7
133.04941	6.6
133.06398	2.5
137.05966	2.5
138.03085	3.0
141.06961	2.5
142.02594	1.7
144.05692	4.4
145.04979	4.5
145.06454	11.3
147.04384	2.0
147.08003	2.3
149.05931	1.6
152.04660	2.1
153.05505	1.6
157.06479	3.3
159.04559	1.2
159.08058	4.7
159.48643	1.5
161.06009	7.2
163.06093	2.4
165.05502	1.7
166.05878	1.4
167.07031	49.8
171.06558	5.9
172.05176	10.2
173.05983	5.2
175.07533	3.2
176.08397	1.3
177.05478	2.7
177.09061	2.0
181.04950	100.0
183.06573	1.6
187.07480	9.7
189.05467	4.7
189.09096	1.6
191.06990	2.0
191.10704	2.9
195.06514	3.7
200.04707	4.5
201.05493	4.8
203.06961	1.9
204.10248	6.9
205.08612	5.1
207.10059	2.9
209.07927	1.6
217.08568	2.8
218.05707	8.4
219.06444	1.9
219.10150	4.6
221.08044	7.5
232.09926	1.5
233.08073	65.0
235.09558	1.6
245.08141	2.5
251.09158	3.5
255.14096	1.8
263.07050	1.6
263.09229	12.8
264.12381	1.3
278.17456	2.2
292.07239	1.5
307.09595	2.0
309.07745	1.8
323.08929	2.5
331.16345	2.0
336.18173	2.2
339.12344	2.6
352.09842	1.4
353.10461	1.5
355.11618	4.5
367.11746	4.2
372.12009	1.7
381.13339	2.6
387.14468	8.0
399.14386	5.6
403.22122	6.1
417.15445	25.7
435.16373	2.4
435.21646	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	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01880	2.1
55.05507	1.5
57.03434	1.5
58.15419	0.9
63.22607	1.0
65.03941	6.1
66.05967	0.8
67.05511	4.4
69.03440	4.9
69.07068	2.3
70.06592	3.0
70.95708	1.5
70.96055	1.8
71.04974	1.1
72.08160	1.5
74.06088	1.5
78.04705	1.4
79.05489	9.2
81.03423	4.3
81.07050	2.9
82.04193	2.8
83.04980	1.4
84.08134	1.9
85.02914	6.6
86.09726	4.7
91.05495	7.4
93.03403	2.2
93.07041	1.2
94.69389	1.0
95.04973	4.8
95.08618	1.4
97.02892	2.0
97.06535	6.3
97.13988	0.8
103.05466	2.9
105.07053	3.2
106.04173	2.8
106.78947	0.9
107.04954	19.6
107.08640	1.7
108.02132	1.3
109.06529	2.2
110.03648	3.2
111.04460	3.2
115.05484	5.2
116.06207	1.3
117.07009	5.2
119.04929	2.5
119.08466	1.2
120.08117	1.7
121.02874	0.9
121.06519	4.3
121.10126	1.0
123.04454	4.4
124.05172	4.4
125.05996	5.3
127.03915	3.7
128.06224	1.9
129.07036	3.8
130.06520	1.2
131.04959	3.0
131.08551	3.9
133.06493	3.2
135.04349	1.4
137.05952	1.9
138.03104	2.1
141.07022	2.5
142.02621	2.9
143.04959	1.0
144.05698	4.7
145.06476	9.8
147.04427	3.5
147.08066	1.7
149.05977	3.8
152.04674	1.1
153.05496	1.8
155.04852	1.3
155.05994	1.2
155.07108	1.2
155.41475	0.9
156.05663	0.9
157.06476	2.8
157.07637	1.0
158.06017	1.6
159.04417	1.6
159.08044	3.9
161.05998	5.9
163.03938	1.6
165.05421	1.5
166.02664	1.0
167.07039	52.1
171.06598	7.6
172.05211	13.4
173.05981	6.7
175.07504	2.3
176.08394	1.3
177.05466	3.2
177.09061	1.3
179.07011	1.2
181.04956	100.0
181.08495	2.9
182.05360	1.5
183.06618	1.4
187.07512	8.6
189.05467	3.9
190.06200	2.8
191.07001	2.2
191.10695	2.3
193.04939	1.3
193.08582	1.2
195.06496	2.5
200.04730	6.9
201.05464	7.9
203.06937	1.1
204.10233	2.5
205.08467	4.3
206.05780	3.0
207.06534	3.0
207.10149	1.2
209.06126	1.6
209.08110	4.4
217.08621	2.8
218.05702	11.7
219.06367	1.7
219.08266	1.4
219.10069	4.7
221.08040	7.0
224.12888	1.1
227.07033	2.9
231.06435	2.1
233.08081	67.9
234.08519	1.4
235.07613	1.3
235.09634	2.1
245.08138	2.8
250.06183	1.3
251.09190	4.0
255.06502	4.8
255.11272	1.3
263.06931	1.4
263.09192	10.7
267.06277	1.0
273.07715	1.1
273.12140	1.0
279.06534	1.1
279.09976	1.3
280.07239	1.0
291.06671	1.1
292.07571	1.0
293.08051	1.7
295.09811	1.1
307.09821	1.8
309.07446	1.3
323.09015	1.3
331.08057	1.7
335.09152	1.1
339.12277	2.0
344.12781	1.3
346.10440	1.3
355.11777	3.6
356.12292	1.5
367.11670	3.3
371.14935	1.6
381.13409	2.7
387.14401	7.1
391.25906	0.9
399.14316	4.5
417.15451	39.1
417.23877	2.0
418.15704	1.2
419.34705	1.0
435.12921	1.8
435.19833	5.1
435.25342	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	435.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.8
53.03943	6.4
54.58163	1.5
55.01873	11.9
55.05243	2.4
55.05513	39.5
57.03428	4.5
57.07073	3.0
57.20682	1.8
65.03941	4.7
67.05506	61.9
68.05791	1.5
69.03422	6.0
69.07063	26.1
71.04996	3.2
71.10792	3.9
71.11163	3.1
79.05492	65.1
80.05838	2.1
80.06277	1.5
81.03418	8.0
81.07056	50.8
83.04979	8.7
83.06052	1.7
83.08611	11.1
89.03905	3.9
91.05479	54.5
92.06284	2.3
93.07047	56.5
95.04974	21.2
95.08603	41.0
96.05787	4.6
97.02879	2.2
97.06546	10.1
97.10175	6.5
103.05480	5.1
104.06258	2.5
105.03394	4.8
105.07027	47.0
107.04958	19.8
107.08585	34.1
108.05759	1.8
109.06512	8.0
109.10159	17.7
111.08089	3.3
115.05483	9.5
116.06232	4.1
117.03338	2.0
117.07022	39.0
118.07801	3.4
119.04972	3.3
119.08582	38.9
120.09369	1.5
121.06492	11.3
121.10146	23.6
121.85525	1.6
123.04417	2.1
123.08076	6.5
123.11708	3.8
125.09631	6.1
128.06241	7.9
129.07018	25.6
130.07809	5.3
131.04953	6.3
131.08560	44.7
132.09451	3.2
133.02835	12.7
133.06479	15.7
133.10123	19.6
135.04407	4.5
135.08046	13.9
135.11716	11.5
137.09598	4.3
141.07008	9.2
142.07785	4.7
143.04953	3.2
143.08566	21.2
144.05698	2.1
144.09364	4.6
145.02876	4.7
145.06442	9.7
145.10123	38.6
146.03656	6.1
146.10890	10.9
147.04396	7.9
147.08061	13.7
147.11690	11.6
149.06012	4.2
149.09642	8.2
149.13248	2.4
152.06227	5.2
153.07025	9.6
153.09084	8.5
155.08521	4.5
157.06471	6.2
157.10124	18.8
158.10930	2.9
159.04420	11.8
159.08064	5.5
159.11713	15.6
160.12541	2.1
161.02301	15.3
161.05994	4.1
161.09613	11.1
161.13280	4.1
162.03102	5.2
163.03915	28.9
163.11188	6.6
165.07033	6.1
166.07811	1.9
167.08601	4.9
169.06445	4.3
169.10132	6.7
171.04424	6.3
171.08076	4.5
171.11687	11.5
173.02353	29.2
173.05995	7.3
173.09656	2.3
173.13239	9.3
175.03963	3.1
175.07536	3.0
175.11198	7.5
177.12793	4.1
178.07848	2.1
179.08546	2.8
181.04997	2.5
181.06468	13.8
181.10146	2.8
183.04448	4.2
183.08105	6.7
183.11694	4.3
185.06006	5.0
185.09616	5.0
185.13272	7.2
187.03944	7.3
187.07596	5.2
187.11259	4.0
187.14877	5.3
189.05489	2.7
189.12769	5.4
193.97417	1.9
194.07314	3.7
195.08047	6.1
195.11732	3.3
196.12430	1.9
197.06012	7.3
197.09630	3.4
199.03925	22.0
199.07588	4.6
199.11234	3.0
199.14877	4.6
201.05501	4.9
203.07019	2.2
203.08694	2.3
203.14418	4.2
205.12120	1.7
209.06047	6.6
209.09773	3.5
211.07573	3.4
213.05452	8.1
213.16281	3.0
215.08723	2.0
217.15878	4.1
219.08046	2.4
221.05998	2.2
223.03972	4.6
223.07616	4.8
223.11215	1.9
224.04663	4.1
225.05429	15.2
225.08994	2.0
227.07074	7.5
227.17929	4.4
228.18694	2.4
234.06845	2.2
235.07483	5.0
236.04713	4.9
237.05466	57.9
237.09045	3.0
237.16393	3.3
238.06230	39.4
239.06917	9.5
241.12343	2.6
245.15556	3.0
245.19128	6.2
246.68549	1.9
249.05481	18.5
249.09187	2.1
250.06270	5.1
251.07008	37.0
251.09833	2.4
251.10699	2.6
252.07758	3.3
253.12299	3.4
255.17493	9.5
256.18228	4.8
257.19009	2.1
262.06387	2.2
263.07050	13.9
263.10394	1.9
264.07706	3.2
265.08649	7.2
265.12198	3.6
267.06668	3.6
267.10147	3.9
269.11749	2.8
273.18506	19.2
274.19351	6.7
275.07040	2.3
275.11032	2.0
275.14713	1.7
275.20285	4.2
277.08633	14.9
277.11539	2.6
279.10318	2.4
279.13959	2.2
281.11749	5.2
289.12155	1.7
291.10181	7.6
293.11630	8.3
295.13220	2.4
303.10492	2.2
305.11768	9.0
307.13251	3.9
311.12781	3.5
319.13284	31.9
320.13849	4.4
321.14709	3.0
329.11334	2.9
335.16507	4.2
337.14453	2.2
347.12570	3.1
348.13666	2.2
349.14453	7.3
363.23474	2.0
365.13864	3.7
365.20947	3.2
366.14859	5.4
367.15463	5.5
373.21616	3.4
373.96957	1.9
389.21335	9.9
391.22562	17.4
399.19592	4.8
407.22202	11.1
417.20572	80.5
418.21008	5.8
428.93848	1.8
435.21741	100.0
435.27350	7.0
435.32611	6.0
436.22037	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	436.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13028	3.1
53.52916	2.5
56.05041	3.4
57.03445	20.3
57.03672	3.5
61.02921	5.4
69.03436	22.3
69.94872	15.4
70.06600	10.5
71.01332	3.8
72.08160	6.6
73.02921	35.1
73.42973	2.6
79.05472	3.8
81.03412	5.5
84.08155	3.7
85.02911	32.6
86.09708	5.6
88.05223	3.0
91.05486	100.0
97.02901	45.0
98.21464	3.7
107.04955	36.7
107.08584	3.7
108.08176	7.5
109.02912	2.9
115.03936	24.9
127.03906	10.9
133.04980	4.9
136.06204	10.4
145.04979	12.2
147.04465	7.9
152.05724	4.1
161.04587	3.0
161.05956	4.0
163.06075	3.3
218.83826	3.0
234.54723	3.3
243.08820	6.9
259.08417	4.5
274.10736	11.2
299.97635	3.4
326.16229	5.7
377.14566	4.7
397.02029	3.4
418.15353	3.9
424.78876	2.9
436.21494	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	436.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	14.6
69.07054	21.4
69.58641	100.0
76.67413	14.1
79.05462	14.6
81.07059	53.0
85.02894	33.4
91.05459	22.5
93.07038	39.4
95.04985	19.7
95.08614	35.0
97.06544	22.6
98.21513	26.3
98.56960	16.3
105.07004	26.2
107.08620	37.3
109.10230	22.5
112.67382	13.7
113.66612	15.3
119.08568	28.2
135.11705	41.3
203.17896	38.1
221.19017	34.2
324.05206	13.7
356.27194	14.3
364.04865	13.6
462.08411	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	437.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79940	0.6
53.03955	1.4
54.83278	0.7
55.05511	12.8
57.03452	0.9
57.07088	1.0
65.03965	0.8
67.05507	11.7
67.05834	0.7
69.03461	2.0
69.07079	5.1
69.50391	5.0
71.05017	0.8
79.05494	7.1
81.03419	14.6
81.07063	10.2
81.07471	0.8
83.05016	2.0
83.08614	8.0
85.02930	1.6
85.06556	1.5
91.05476	5.0
93.07047	7.9
95.04976	5.3
95.08613	8.6
97.02901	1.0
97.06564	2.7
97.10166	9.5
98.20786	1.5
105.07025	7.2
105.07587	0.5
105.30009	0.7
107.04993	2.4
107.08588	8.6
107.09203	0.8
109.06577	1.6
109.10157	9.3
109.10843	0.7
111.08064	4.4
115.05442	0.7
117.07042	1.8
119.01916	1.0
119.08586	6.1
121.06534	1.2
121.10151	5.2
123.08099	1.4
123.11757	1.9
125.09625	8.9
129.07060	2.1
130.07799	0.7
131.08545	4.2
133.10117	4.7
135.08099	2.6
135.11717	2.4
137.09628	1.8
142.07803	1.1
143.08601	2.5
143.10706	0.7
145.10114	4.6
147.08133	0.7
147.11681	3.3
149.09668	1.8
149.13289	1.5
153.09126	1.2
155.08571	1.3
157.10089	3.9
159.11674	3.2
161.13310	2.9
163.11244	1.6
163.14781	1.0
169.10188	2.2
171.10207	0.9
171.11780	2.2
173.09555	0.8
173.11874	1.2
173.13283	2.2
175.11256	2.1
175.14798	1.1
177.16457	1.1
183.11722	2.1
185.04196	5.6
185.13277	2.2
187.14815	1.6
189.11217	7.5
189.16483	1.6
191.10756	0.7
193.12265	8.7
195.11584	0.9
197.13293	1.7
199.14871	1.4
201.03738	2.2
201.16399	1.8
203.05238	4.1
209.11635	0.9
209.13388	1.2
211.14894	1.6
213.16391	1.0
215.14273	0.7
215.18030	1.0
217.15837	0.8
221.13292	0.9
223.14734	1.0
224.62309	0.6
225.16364	1.2
227.12729	4.5
235.14639	0.7
239.17897	0.9
241.19591	0.9
257.15179	2.0
259.70789	0.7
265.19568	1.1
267.09091	0.9
269.18848	1.0
275.16162	99.8
276.16519	2.5
285.10107	2.4
311.23471	0.9
324.11554	1.5
345.20602	0.9
361.28616	0.8
379.29855	0.9
401.32449	0.7
407.33044	0.9
419.33176	4.8
437.21246	100.0
437.34000	15.2
438.21887	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	437.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58134	0.9
53.03942	4.8
54.22557	1.1
55.01877	7.1
55.05514	58.9
56.96555	3.2
57.03441	4.9
57.53778	1.0
58.86254	0.9
59.04984	2.0
60.50452	1.1
61.02914	2.2
65.03925	1.7
67.05505	46.9
69.03424	11.3
69.07070	15.2
71.04985	3.6
72.69333	1.3
73.02908	1.7
79.05499	30.8
81.03420	100.0
81.07054	32.8
82.96960	1.1
83.04996	10.7
83.08622	51.9
85.02905	5.7
85.06528	3.9
86.80180	0.9
87.04450	2.4
91.05476	27.8
93.06493	1.8
93.07042	24.0
95.04393	1.6
95.04972	27.8
95.08609	38.3
97.02885	6.3
97.06534	6.0
97.10170	61.8
99.04477	1.1
99.08081	1.8
101.06018	1.2
101.09666	1.1
103.05489	1.3
105.07040	21.0
106.06519	1.3
107.04973	8.6
107.08595	27.6
109.06516	5.0
109.10160	17.9
111.04440	1.9
111.08070	11.6
116.06134	1.1
117.07048	5.1
119.08588	18.5
121.06501	3.9
121.10143	8.5
123.04435	1.6
123.08077	3.6
123.11713	2.9
125.09630	56.5
127.11201	1.3
128.06238	1.4
129.07001	10.9
131.08585	10.7
133.06488	4.4
133.10115	9.5
135.08072	7.9
135.11685	7.7
137.09596	3.3
142.07800	4.9
143.08554	1.9
143.10689	3.5
145.05031	1.1
145.10167	6.3
147.08073	4.7
147.11685	10.1
149.09633	5.3
149.13287	1.8
151.07466	1.2
153.09140	7.2
157.10120	10.8
159.11699	3.3
161.09619	1.1
161.13326	1.2
163.03860	1.5
163.11249	5.0
165.05458	1.8
165.12764	2.4
167.07033	1.3
169.10146	1.5
171.10118	4.1
171.11565	2.3
173.09656	1.2
173.11798	2.6
173.13318	1.8
175.07631	1.2
175.11186	10.0
181.12190	1.7
185.04178	1.4
185.13272	2.8
187.14746	1.4
189.11218	53.7
193.12253	53.3
195.06552	2.1
195.11668	1.4
199.14886	2.4
209.08002	1.5
211.13251	1.5
213.16432	1.9
227.12787	27.1
229.15829	1.8
249.14882	4.6
257.10666	1.4
257.19037	5.8
267.09064	2.9
275.16156	23.9
283.08508	2.5
285.10114	5.3
301.09573	1.5
322.98248	1.0
323.10687	3.6
324.11545	2.1
345.20743	1.5
356.14932	1.1
419.24051	3.2
419.33011	2.9
437.25989	58.2
437.34326	6.6
452.34644	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	437.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01875	8.5
55.05510	65.8
57.03432	4.9
57.07060	2.0
59.05000	4.6
59.05303	1.0
65.03944	2.7
67.05506	83.3
69.03426	8.7
69.07068	14.9
69.79111	5.3
71.04990	4.9
73.02927	1.0
73.55595	1.3
74.09719	0.9
79.05492	40.2
81.03419	100.0
81.07056	40.1
83.01366	1.6
83.04980	11.8
83.08618	52.1
83.47916	1.2
83.80344	1.1
85.02926	2.3
85.06554	4.0
91.05480	32.1
91.06042	2.1
93.07042	29.7
95.04967	28.8
95.08606	18.9
97.02912	4.9
97.06532	8.7
97.10165	55.1
101.09642	1.3
105.07018	22.7
107.04946	10.6
107.08589	30.7
108.46220	1.0
109.02910	1.5
109.06525	6.7
109.09399	2.7
109.10153	49.2
111.04462	3.1
111.08076	10.6
113.06026	1.3
115.05501	2.6
117.07014	7.2
119.04943	1.7
119.08588	23.2
119.09406	2.3
121.06494	5.0
121.10133	14.4
123.08098	4.7
123.11740	3.2
125.09627	57.9
128.06242	1.2
129.07014	11.6
130.07791	1.2
131.08566	11.9
133.06511	3.6
133.10097	8.3
135.08046	7.1
135.11687	9.8
137.09636	5.2
142.07759	2.6
143.08582	3.4
143.10684	4.6
145.06529	2.1
145.10135	13.1
147.08084	4.4
147.11671	7.5
149.09622	5.2
151.11218	2.0
153.09094	8.3
153.12746	2.9
155.08580	1.6
155.10693	2.7
157.10118	10.9
159.11743	4.7
161.13245	1.8
163.11183	12.4
165.09129	1.8
171.10188	4.3
171.11717	2.7
173.09686	2.6
173.11751	12.4
173.13235	2.8
175.11217	10.3
181.12231	3.0
183.11758	1.5
185.13280	2.1
189.11214	53.7
190.11621	1.2
191.10519	1.7
191.17949	1.1
192.29041	1.2
193.12238	53.6
199.14944	1.6
201.16341	1.6
209.11620	5.4
213.12976	1.5
227.07184	1.4
227.12753	31.1
249.14848	5.3
267.09122	1.6
283.20679	1.9
285.10126	1.3
317.21317	1.6
345.20544	3.5
419.24197	4.1
419.33255	4.5
437.25375	90.0
437.34106	10.9
438.25281	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	437.3411
Annotation	Alertenone
Peak:m/z	Relative Intensity
53.03927	2.9
55.01858	5.0
55.05510	17.7
56.96561	4.2
57.03437	3.7
57.07067	9.5
59.04985	3.1
65.03936	2.6
67.05509	63.0
68.05828	2.2
69.03426	5.4
69.07066	19.2
69.46030	11.9
69.62144	1.6
71.05006	4.1
71.08627	1.9
74.99638	1.7
77.62228	1.7
79.05497	25.8
81.03404	6.2
81.07059	35.4
83.04974	10.5
83.08620	12.3
85.02913	3.3
85.06527	4.3
89.11919	1.6
91.05001	1.9
91.05491	23.8
93.06511	2.5
93.07051	36.8
95.04961	9.8
95.08610	43.0
97.02875	3.5
97.06528	7.9
97.10167	3.7
98.20729	1.4
99.08083	3.0
103.05470	2.5
105.07014	24.3
107.04952	7.4
107.08595	42.5
108.45245	1.5
108.94580	1.5
109.06522	6.7
109.10155	45.6
111.04442	3.2
111.08072	4.3
117.07016	10.6
119.04936	2.1
119.08589	33.2
121.06503	10.0
121.10139	37.7
123.08075	4.8
123.11707	12.7
125.09646	7.4
129.06982	5.4
131.08563	14.6
133.06497	6.0
133.10130	22.2
135.08072	8.6
135.11678	26.9
137.09615	5.6
137.13252	35.3
139.11183	3.1
141.07011	3.0
142.07770	3.7
143.08534	9.4
145.06485	2.7
145.10126	23.5
147.08075	10.0
147.11679	16.8
149.09618	6.3
149.13277	15.4
151.11186	6.7
153.09186	1.7
153.12758	3.1
155.08578	5.7
155.10663	2.4
157.06497	2.2
157.10129	14.4
159.04372	1.7
159.08093	2.9
159.11699	14.9
161.02264	1.9
161.09634	4.6
161.13249	12.4
163.03897	5.7
163.11200	11.1
163.14832	10.5
165.12714	2.7
169.10139	7.5
171.07938	2.1
171.11658	9.6
173.02321	5.5
173.09596	6.1
173.11729	7.1
173.13292	8.2
175.11174	4.6
175.14781	8.0
177.12737	6.4
177.16399	3.4
179.08582	2.4
181.10191	2.8
181.12166	3.4
183.11661	7.6
185.09637	2.1
185.13255	6.8
187.03941	4.3
187.11221	3.4
187.14749	8.3
189.12764	2.3
189.16351	5.9
191.10716	2.4
191.14333	3.0
193.12022	2.0
195.11743	6.5
197.13283	7.8
199.11238	4.5
199.14821	6.8
201.12674	1.8
201.16412	7.3
203.17949	14.2
207.11702	2.0
208.12563	1.9
209.11693	5.0
209.13310	6.5
210.13953	1.7
211.11108	1.7
211.14841	5.6
213.12738	2.7
213.16406	5.6
215.14310	2.4
215.17947	3.3
217.16086	1.8
221.13258	2.6
223.14815	4.5
225.16454	2.3
227.12694	4.6
227.17946	2.8
229.16098	2.5
229.19530	4.0
235.14659	1.8
235.16913	3.1
237.16405	2.1
239.17905	3.4
241.15906	2.8
243.17468	2.3
245.19019	3.1
247.20468	3.1
251.18060	4.9
253.19482	2.2
255.21156	1.8
257.11716	5.9
257.19131	4.7
261.18539	3.5
263.17886	2.2
265.19547	3.8
267.21170	2.5
269.18976	7.3
273.18433	5.2
275.20184	8.0
279.21045	3.6
281.19156	1.9
283.20511	12.8
285.18649	7.6
285.21591	1.9
287.20074	4.5
289.19681	2.3
297.22171	4.9
299.20099	2.3
301.21637	2.4
333.25925	2.8
349.25302	2.1
353.24844	2.0
361.28903	1.8
377.28333	5.0
381.28159	1.9
391.33652	1.8
395.29535	3.4
401.32086	6.3
419.22012	5.1
419.33154	35.3
437.25034	20.2
437.34167	100.0
438.24182	3.4
438.34525	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	437.3409
Annotation	Alertenone
Peak:m/z	Relative Intensity
51.02391	1.0
52.18202	0.9
53.03933	2.3
55.01858	3.9
55.05510	16.3
56.96561	2.5
57.03431	3.3
57.07077	6.5
59.04982	2.5
65.03934	2.8
67.05504	50.8
67.64188	0.9
68.05823	1.2
69.03416	4.8
69.07068	24.1
71.04979	2.6
71.08611	1.5
71.34465	1.9
79.05489	20.4
80.31001	0.9
81.03416	5.6
81.07056	47.2
82.07362	1.2
83.04974	6.5
83.08613	13.7
84.03464	0.8
85.02910	2.8
85.06532	2.9
91.05480	22.5
93.07042	40.9
94.07387	1.0
95.04980	6.3
95.08604	55.1
96.08965	1.2
97.02876	2.3
97.06520	7.1
97.10197	5.1
99.04462	2.7
105.07028	35.2
106.07329	0.9
107.04980	6.3
107.08591	44.5
109.02905	1.2
109.06541	4.5
109.10153	48.2
110.10474	1.2
111.04445	1.8
111.08083	6.2
111.11728	1.7
112.89982	0.9
113.09634	1.2
115.05508	1.5
117.07011	10.8
119.08580	39.1
121.06512	2.7
121.10136	29.8
123.08078	5.5
123.11710	19.2
124.12035	1.2
124.13007	0.9
125.09650	3.7
127.03877	1.2
128.06230	2.9
129.07034	7.3
130.07822	2.2
131.08563	26.3
132.08833	1.1
133.06487	1.4
133.10124	28.1
135.08047	4.9
135.11687	22.5
137.05934	1.1
137.09622	4.3
137.13237	9.0
139.11198	3.0
141.07007	3.2
142.07790	5.9
143.08563	16.5
144.09332	2.6
145.06468	1.5
145.10120	32.8
147.08038	2.8
147.11673	18.6
149.09641	5.1
149.13234	12.1
151.11172	1.8
151.14822	2.7
153.06908	1.2
153.12714	2.6
154.07706	1.2
155.08553	10.2
155.10667	1.3
156.09349	3.8
157.10112	23.1
158.10913	2.2
159.08046	3.4
159.11684	19.0
161.09680	2.8
161.13237	12.7
163.11189	10.0
163.14859	5.5
165.06979	1.9
165.09190	1.5
165.12764	1.2
167.08635	2.7
168.09322	1.7
169.10121	17.2
170.10912	3.1
171.11664	18.0
172.12265	1.4
173.09604	2.2
173.11731	6.4
173.13280	14.5
175.11192	3.6
175.14798	8.1
177.12804	2.8
177.16365	5.6
179.08572	2.3
179.14293	1.7
180.09344	1.7
181.10135	7.0
181.12270	1.6
182.10851	2.6
183.11690	14.8
185.09647	1.1
185.13239	11.9
187.11179	2.7
187.14813	8.5
189.12845	1.6
189.16341	8.0
191.10689	1.5
191.14339	2.6
191.17979	3.1
192.09343	1.4
193.10149	4.6
193.12244	1.3
194.10899	3.0
195.11681	9.6
196.12434	1.7
197.13263	12.7
199.11235	1.4
199.14812	9.3
201.12827	2.8
201.16383	10.8
203.14389	1.4
203.17966	5.4
205.15770	1.4
206.10867	1.4
207.11716	4.4
208.12468	2.4
209.11679	1.7
209.13313	8.9
211.14854	6.5
213.12816	1.2
213.16339	12.5
215.14323	2.2
215.17897	5.3
217.15929	3.4
217.19543	1.8
219.17523	1.9
220.12462	1.2
221.13350	5.0
221.15131	1.3
222.14043	1.2
223.14772	6.4
225.16359	4.7
227.12750	9.2
227.17957	4.2
229.15947	1.5
229.19568	3.8
231.17422	5.1
233.18983	1.2
235.14836	3.1
235.16978	1.4
237.16307	7.8
239.17924	8.4
241.19514	3.4
243.17436	1.8
243.21049	1.9
245.19133	1.8
247.14688	1.5
249.16405	2.7
251.18018	5.1
252.18689	1.4
253.19576	3.1
255.17448	2.1
255.21089	2.0
257.19037	6.0
263.18008	2.9
265.19492	7.9
267.17514	1.9
267.21133	4.0
269.19098	3.5
269.22742	1.7
271.20648	3.4
273.18625	2.1
275.17746	1.3
275.20303	1.4
277.19489	2.3
279.21078	4.9
281.19049	3.8
281.22455	1.5
283.20648	5.8
283.23938	1.2
285.18372	2.5
285.22165	1.9
287.20151	1.8
289.19598	1.2
293.22504	2.3
295.20740	1.4
295.24164	1.9
297.22174	1.5
299.20032	2.0
303.20914	1.1
305.22501	1.8
307.24106	1.2
321.25809	1.4
323.23633	1.3
331.24203	1.3
335.23691	1.4
335.27289	1.5
337.24811	1.2
339.23215	1.4
343.23788	1.4
345.26004	1.6
347.15054	1.3
349.25128	1.7
351.26825	1.6
359.27475	1.9
363.26712	3.7
365.16443	3.2
365.28485	1.3
376.27600	1.6
377.28143	2.3
383.17688	1.8
395.29156	1.2
401.32019	11.5
407.33264	1.8
419.33075	53.5
420.33322	4.0
437.25735	14.6
437.34171	100.0
438.34442	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	437.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.3
53.03948	4.8
55.01862	9.1
55.05513	36.9
56.96551	2.0
57.03437	4.7
57.07073	11.9
59.05001	3.3
65.03944	5.7
65.51880	1.7
67.05506	100.0
69.03408	5.7
69.07070	48.1
69.97419	4.3
69.97836	6.7
71.04994	6.4
71.08618	3.1
79.05491	45.7
81.03419	11.2
81.07055	65.8
82.07407	2.2
83.04978	10.5
83.08620	22.3
85.06544	6.1
91.05482	50.1
93.07043	60.3
95.04958	11.6
95.08607	69.7
97.02883	2.3
97.06554	10.0
97.10172	8.5
99.08102	2.5
103.05476	5.7
105.07030	62.0
107.04988	15.1
107.08592	58.4
109.06512	10.0
109.10157	77.5
111.04432	3.1
111.08082	26.8
111.11698	2.5
115.05521	6.0
116.06198	2.1
117.07017	22.4
119.08577	52.0
119.09386	3.6
120.68296	2.3
121.06517	6.7
121.10136	37.9
123.04434	2.3
123.08086	7.6
123.11710	15.8
125.06004	1.9
125.09644	6.7
128.06204	5.1
129.07013	12.7
130.07822	3.1
130.78879	2.1
131.04904	4.7
131.08566	44.2
133.02837	3.5
133.06485	3.8
133.10136	36.1
135.04482	2.1
135.08067	8.9
135.11694	20.1
137.05991	2.5
137.09625	4.9
137.13255	38.3
139.11256	2.4
141.06992	9.6
142.07808	4.7
143.04893	2.1
143.08568	24.8
144.09296	3.3
145.06483	5.2
145.10129	56.7
147.04436	4.4
147.08110	4.6
147.11693	25.7
149.05998	6.4
149.09625	7.1
149.13251	14.6
151.11220	4.9
153.12740	2.1
155.08560	14.3
155.59357	1.9
156.09329	3.8
157.06471	3.9
157.10121	30.7
158.10873	3.5
159.04420	2.4
159.08032	2.2
159.11697	40.3
160.12399	1.8
161.05962	4.2
161.09604	4.8
161.13269	13.2
163.03899	21.5
163.11194	16.5
163.14850	5.4
165.07033	4.5
165.12869	3.1
166.07736	2.2
167.08525	4.4
169.10115	18.9
170.10965	3.0
171.08000	2.2
171.11681	22.6
173.02399	5.3
173.05997	10.5
173.09612	4.8
173.11751	10.2
173.13293	18.4
175.11226	4.0
175.14842	10.3
177.12810	2.7
177.16408	4.5
179.08607	5.6
180.09160	3.1
181.10172	10.8
181.12206	2.5
183.08089	3.8
183.11722	25.4
185.06027	3.5
185.09680	3.5
185.13260	14.0
187.02518	2.2
187.03862	11.0
187.11101	4.0
187.14786	17.5
189.05553	5.5
189.16408	7.3
191.10620	2.3
191.17891	2.5
193.10179	5.4
193.12193	2.2
194.10876	6.2
195.11678	12.5
196.12439	3.4
197.06134	2.4
197.09685	2.2
197.13295	16.7
199.03905	5.0
199.11095	2.0
199.14856	10.5
201.05499	5.4
201.12741	2.1
201.16402	21.9
203.14330	4.8
203.18022	6.7
205.16127	2.5
206.10880	2.7
207.11749	9.7
209.11519	4.4
209.13274	26.8
210.14035	2.7
211.07631	5.0
211.11203	2.2
211.14803	11.7
213.16451	7.8
215.07094	6.2
215.18008	9.1
217.15976	4.4
217.19649	2.7
221.13225	5.9
223.14702	10.6
225.05435	2.3
225.09117	3.2
225.12823	4.3
225.16463	8.6
227.12854	5.8
227.17902	5.1
229.19553	3.7
231.17438	4.4
233.13358	5.0
233.19020	3.1
235.14824	6.6
237.16405	8.3
237.18463	2.1
239.14421	3.6
239.17982	8.8
241.19569	4.3
243.17500	3.6
247.14827	4.8
247.20688	3.7
249.12549	3.2
249.16373	6.2
251.18010	12.7
253.19714	4.0
255.17564	4.1
255.21010	2.1
257.19058	6.1
261.16293	2.4
263.17990	6.2
265.19617	5.0
267.17499	7.3
267.21024	4.2
269.18991	10.0
271.20502	2.2
275.20102	17.5
276.20639	2.3
277.19492	4.4
279.21060	3.4
281.22604	2.7
283.20520	4.7
285.14975	2.7
285.18497	4.9
291.21286	3.3
293.22778	3.0
295.20764	2.4
303.21097	3.3
305.22696	4.1
317.22748	3.1
319.24283	5.4
321.25732	6.5
323.16583	4.0
333.25937	3.7
343.23596	2.5
345.25775	3.4
351.27036	4.1
355.18533	3.7
361.29086	4.4
377.28476	7.1
393.24231	10.5
395.29617	4.2
401.32086	12.3
407.33157	3.2
409.23712	3.3
419.22089	16.1
419.33072	50.1
437.19241	9.3
437.25015	26.1
437.34225	80.6
438.34363	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.1
55.05507	32.0
56.96558	5.1
57.07067	13.2
59.04966	4.8
65.03928	4.5
65.76751	3.5
67.05502	85.4
69.03421	6.3
69.07065	37.8
70.06580	9.0
70.75308	10.5
71.04992	19.9
71.08638	3.6
79.05501	34.1
81.03414	8.8
81.07050	72.5
83.04975	11.1
83.08609	23.7
85.02915	4.8
85.06564	6.2
91.05474	40.3
93.07040	58.4
95.04958	17.6
95.08606	90.3
97.06532	13.8
97.10167	11.1
105.07015	57.3
107.04984	13.6
107.08595	55.7
109.06525	6.9
109.10146	77.0
110.10468	3.5
111.08086	8.4
117.07028	16.4
119.08578	57.3
121.06543	7.3
121.10135	46.1
123.08085	9.6
123.11700	29.0
125.09631	6.8
128.06285	4.4
129.07016	11.9
131.08548	35.2
133.10127	42.7
135.08054	8.0
135.11691	32.0
136.65524	3.9
137.09630	5.6
137.13266	10.1
142.07762	5.1
143.08536	27.2
145.10103	45.3
147.11668	24.2
149.05995	4.2
149.09657	4.6
149.13239	26.7
151.11191	9.3
153.12720	6.1
155.08566	7.8
156.09343	6.3
157.10150	34.2
159.11684	33.1
159.12823	5.1
161.09641	7.1
161.13242	14.0
163.03905	19.9
163.11169	21.3
163.14798	9.0
164.04225	10.3
167.08589	6.8
168.09389	4.1
169.10147	14.5
171.11665	21.3
173.09639	5.1
173.11792	12.3
173.13287	23.6
175.11101	4.3
175.14830	13.7
176.34766	3.8
177.12738	5.6
177.16371	9.9
179.08649	3.7
181.10165	7.3
183.11742	22.0
185.13248	28.1
187.14870	15.9
189.12747	4.3
189.16437	13.8
191.14369	10.5
191.17920	12.1
192.89015	3.9
193.15947	6.4
195.11751	8.5
197.13237	14.1
197.93787	4.1
199.14839	28.8
201.12724	6.1
201.16412	16.0
203.14383	4.9
203.17908	11.8
205.15857	4.8
206.79895	4.3
207.06577	10.0
207.11687	5.8
208.06909	12.3
209.11594	5.4
209.13303	9.5
211.14821	8.0
213.16429	7.7
215.14357	10.4
215.17923	13.2
217.15956	14.7
217.19542	7.1
219.17531	5.0
223.14825	9.3
225.16373	7.3
227.12648	22.6
227.17877	8.2
227.52376	3.8
229.15871	4.4
229.19525	4.6
231.17403	4.5
233.18971	10.6
235.14783	4.9
237.16325	10.1
239.18050	7.8
243.17528	8.3
249.16467	4.1
251.18111	5.0
253.19545	7.1
255.17505	4.2
255.21118	6.8
256.26312	6.8
257.19122	6.5
257.26755	13.8
263.18015	6.1
265.19528	8.6
267.17386	8.1
269.22510	4.3
271.20361	3.7
275.20065	9.9
277.21603	8.7
281.18884	8.8
283.20575	11.3
297.22162	4.4
307.24136	8.2
309.22247	4.3
325.25336	7.6
335.23727	5.9
363.26996	5.3
379.29901	8.1
391.33670	4.5
392.25439	6.1
401.32013	17.6
419.33139	90.7
420.33331	4.6
437.24692	24.1
437.34686	100.0
438.34589	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	437.3414
Annotation	Alertenone
Peak:m/z	Relative Intensity
51.82853	1.1
53.03948	1.3
55.05519	8.9
57.02466	0.9
57.05002	0.9
57.07071	9.3
59.05000	1.1
67.05510	12.0
69.07070	12.6
71.50203	1.6
79.05492	8.4
81.07063	20.7
83.04970	2.3
83.08636	7.5
83.09050	1.4
91.05482	9.6
93.07042	19.2
95.04962	3.1
95.08609	30.4
97.06534	2.8
97.10181	1.7
105.07043	19.7
107.04969	1.6
107.08588	26.5
109.06532	3.2
109.10159	21.6
110.16226	1.0
111.08056	2.6
111.11672	1.3
117.07016	2.6
119.08577	26.9
121.06517	3.8
121.10143	46.0
123.08074	3.6
123.11709	10.6
125.09608	1.2
129.07013	2.2
131.08560	10.4
133.06473	13.7
133.07518	1.5
133.08641	1.2
133.10144	13.4
135.08049	2.7
135.11681	15.0
137.09622	1.6
137.13260	37.1
139.11165	2.4
142.07796	2.4
143.08594	7.4
145.06517	4.6
145.10127	15.4
147.08040	12.4
147.11671	11.4
149.09666	2.6
149.13269	10.4
151.14838	2.7
155.08525	4.9
156.09377	1.3
157.10138	13.7
159.08153	2.3
159.11691	12.4
161.09641	1.6
161.13254	17.4
163.03915	1.5
163.11240	1.5
163.14830	9.5
165.12679	1.2
167.08650	2.3
167.10648	1.3
169.10110	7.4
171.11676	7.9
173.09630	3.0
173.13269	8.4
175.11240	1.3
175.14795	6.0
177.16379	6.3
179.08582	1.7
181.10097	5.0
182.10889	2.0
183.11707	8.8
185.09636	1.7
185.13284	3.8
187.11131	1.9
187.14789	8.8
189.12721	1.3
189.16417	1.7
191.17950	2.3
193.10115	3.9
195.11591	6.2
196.12631	1.3
197.13277	6.3
199.11243	2.2
199.14839	4.2
201.12875	1.3
201.16408	4.2
203.17957	31.6
203.20872	1.2
204.18385	1.5
207.11740	2.8
208.12422	1.6
209.13269	4.4
211.14870	3.7
213.12790	2.0
213.16400	4.5
215.17960	5.6
217.15805	1.6
221.13315	2.6
223.14857	5.9
224.15479	1.2
225.16357	2.4
227.17953	2.7
229.19450	2.1
233.13217	1.7
235.14828	2.2
235.16998	4.5
236.15520	1.8
237.16406	4.3
237.31070	1.2
239.17998	2.1
241.15819	2.1
241.19554	2.0
243.17599	1.8
243.21259	1.1
249.16310	2.7
251.18047	4.7
254.13870	1.0
255.21072	1.5
261.18683	2.0
263.17850	1.5
265.19553	4.9
267.21057	2.3
269.18976	3.7
273.18567	4.6
275.20105	2.0
279.21082	1.9
283.20563	13.9
285.18597	8.3
285.21524	1.9
287.20090	3.1
291.21133	1.7
299.20056	3.5
301.21686	1.9
313.21646	1.4
321.21802	1.3
333.25833	1.9
349.25314	1.4
359.27420	1.2
367.26187	1.3
377.28220	6.0
395.29504	8.7
401.32114	5.6
417.13278	1.1
419.33044	29.8
437.34158	100.0
438.34424	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	437.3413
Annotation	Alertenone
Peak:m/z	Relative Intensity
53.03946	1.6
55.05511	12.4
57.03426	2.3
57.07074	12.1
57.83520	1.2
59.04985	2.5
63.98880	1.4
65.03951	1.6
67.05501	18.2
69.03444	2.5
69.07068	15.0
69.86486	3.6
69.86887	4.1
71.04983	2.1
71.08616	2.2
75.07583	1.3
79.05501	12.6
81.03427	1.8
81.07056	28.4
83.04990	2.1
83.08617	8.3
88.99751	1.2
89.06004	1.6
91.05482	14.0
93.07037	31.4
95.04964	5.9
95.07995	2.4
95.08604	46.4
97.06537	4.1
97.10177	3.8
99.08125	1.8
105.07034	31.9
107.08591	47.4
108.77573	1.3
109.06513	5.5
109.10152	31.3
111.08074	4.9
111.11740	2.8
117.07016	4.0
119.07735	1.4
119.08577	30.3
121.06488	3.6
121.10140	60.8
123.08056	4.4
123.11707	11.3
125.09607	2.8
127.94434	1.4
128.06168	2.3
129.06992	3.2
131.08565	14.2
133.06488	17.0
133.10109	14.8
135.08044	4.2
135.11690	30.5
137.09631	3.1
137.13251	45.6
139.11191	6.1
142.07787	2.8
143.08578	13.6
145.06387	2.0
145.10127	20.1
147.08081	9.5
147.11685	13.4
149.09631	4.0
149.13228	12.7
151.14807	2.3
155.08536	6.1
155.10646	1.9
156.09357	2.9
157.10118	18.7
159.07956	1.7
159.11690	15.5
161.09616	3.6
161.13255	16.2
163.14839	11.9
167.08528	2.4
168.09361	1.4
169.10121	10.3
170.10902	2.9
171.11685	10.2
173.09607	2.5
173.11729	6.1
173.13248	7.5
175.11235	3.0
175.14867	5.6
177.16447	2.3
179.08540	1.8
181.10117	5.6
182.10835	2.8
183.11700	20.3
185.09639	2.0
185.13261	6.2
187.11194	2.1
187.14819	8.9
189.12729	2.0
189.16394	6.4
191.17891	3.9
193.10075	3.7
194.10950	2.5
195.11690	10.8
197.13235	9.6
199.11189	2.1
199.14828	7.1
201.12715	1.5
201.16438	2.8
203.14226	2.1
203.17932	15.8
207.11664	4.6
208.12415	2.1
209.13292	10.3
211.14868	4.3
213.16385	5.9
215.14413	1.4
215.17958	4.2
217.15805	1.6
221.13304	5.1
222.13882	2.0
223.14822	9.5
225.16356	4.2
227.14398	2.5
227.17976	4.1
229.16055	2.0
229.19534	2.8
231.17491	2.6
233.13281	1.9
235.14815	2.3
235.16965	5.1
236.15607	1.5
237.16330	4.5
239.17940	3.4
241.15862	6.0
241.19466	2.2
243.17444	4.2
247.14806	2.3
249.16388	2.4
251.17937	13.6
253.19675	3.3
263.17886	3.9
265.19571	8.1
267.17523	2.4
267.20990	2.5
269.19052	10.0
269.21780	1.8
273.18436	3.1
273.79242	1.5
275.20181	1.8
277.19415	1.7
279.21085	3.2
281.19003	1.7
281.22534	1.7
283.20551	16.7
285.18576	7.0
287.19986	8.1
291.21085	3.2
297.22223	1.4
299.20068	2.2
307.24387	1.5
327.23471	1.5
349.24902	1.6
359.27460	2.2
377.28369	4.0
381.28024	2.4
385.16495	1.8
395.29428	20.0
401.31998	6.2
419.33118	29.6
420.33298	2.2
437.14865	7.6
437.34113	100.0
438.34451	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	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.05505	10.6
57.07070	7.8
57.96839	2.1
63.30489	2.1
67.05510	30.3
69.07069	20.9
69.59234	8.4
69.59660	7.7
71.08618	4.2
79.05485	12.0
81.07054	45.0
82.47156	2.4
83.08606	7.1
89.06042	3.8
91.05494	11.6
93.07036	23.9
93.07594	3.3
95.05000	4.1
95.08606	73.9
97.06541	3.7
97.10181	4.3
105.07041	23.9
107.08587	31.7
109.06493	3.8
109.10168	34.4
117.07100	3.2
118.99180	2.2
119.07819	3.7
119.08594	34.2
121.10146	28.7
123.11700	19.0
129.06906	2.7
131.08582	10.3
133.08611	3.1
133.10115	18.9
135.11716	14.7
137.09630	4.6
137.13255	7.8
141.07089	2.6
143.08603	6.2
145.10136	30.9
147.11707	19.9
149.13275	13.5
151.14839	5.9
155.08548	3.1
157.10130	12.1
159.11696	18.6
161.13251	12.8
163.11201	2.5
163.14851	9.8
167.10587	2.9
169.10178	4.6
171.11682	15.4
173.11797	4.8
173.13292	17.1
175.14822	23.8
177.16405	6.3
183.11760	4.8
185.13266	6.3
187.14865	7.3
189.16399	21.8
191.18007	10.5
197.13326	7.2
199.14865	10.3
201.16362	17.8
203.17903	15.2
205.19504	3.4
207.17491	2.6
211.14879	6.9
213.16438	9.7
215.17838	11.8
217.19559	9.0
219.08035	2.7
225.16383	5.2
229.19551	5.5
239.18063	6.2
241.19542	19.7
243.21208	6.8
245.15407	3.0
247.16960	4.0
253.19363	5.0
255.21149	6.5
265.19620	3.8
269.22388	2.3
281.22580	2.7
285.18600	10.4
287.20081	3.4
299.20276	3.2
313.21695	3.7
335.27347	6.1
353.24658	3.4
391.33597	26.3
419.32919	6.2
422.88147	2.9
437.14847	4.6
437.24615	5.4
437.34225	100.0
438.34418	4.0
454.77350	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	437.3415
Annotation	Alertenone
Peak:m/z	Relative Intensity
50.46079	1.2
50.89650	1.4
53.03936	3.1
55.01876	2.6
55.05280	1.6
55.05512	16.6
56.96562	2.0
57.03422	1.7
57.07059	4.9
59.04997	2.8
65.03943	1.9
66.67664	1.4
67.05505	37.8
69.03436	3.2
69.07067	23.4
69.95190	6.5
71.04979	3.1
71.08599	1.5
79.05496	20.8
79.23124	1.5
81.03400	6.2
81.07057	44.0
83.04974	5.8
83.08614	12.4
84.40202	1.3
85.02891	3.0
85.06554	2.4
85.34592	1.5
87.85727	1.3
91.05476	27.0
93.07043	38.2
95.04952	10.1
95.08605	70.7
96.08897	1.9
97.02914	2.5
97.06541	8.3
97.10166	6.3
98.97575	2.0
99.08089	1.7
105.07032	47.4
107.04946	3.1
107.08597	39.2
109.06530	3.8
109.10159	45.0
111.08067	4.9
115.05484	1.8
117.07023	13.1
119.07719	2.7
119.08582	50.7
121.06535	3.8
121.10138	28.2
123.08064	3.5
123.11716	12.4
125.09650	4.2
128.06219	5.2
129.07025	10.3
130.07808	1.5
131.07625	2.6
131.08566	31.0
133.06525	1.9
133.10127	28.7
135.08041	3.2
135.11688	18.4
137.05940	1.6
137.09583	2.0
137.13205	6.8
139.11211	2.2
141.06992	3.8
142.07808	7.2
143.08560	26.0
144.09267	2.5
145.10124	38.2
147.08002	3.0
147.11687	22.2
149.09621	3.5
149.13274	9.7
151.11223	2.4
153.12631	1.7
155.08553	11.5
156.09337	5.2
157.10121	26.4
158.10889	1.7
159.08087	2.0
159.11707	21.6
160.12120	2.0
161.09596	3.3
161.13243	17.0
163.03865	1.4
163.11125	4.7
163.14824	6.2
165.07002	2.6
165.12767	6.0
166.07727	1.6
167.07143	1.9
167.08559	3.1
169.10147	18.1
170.10805	2.4
171.11693	21.9
173.09647	3.0
173.11844	3.5
173.13248	21.1
175.11203	1.7
175.14815	21.1
177.12833	1.7
177.16364	8.6
179.08542	2.2
181.10060	8.3
181.15898	1.4
182.10913	3.4
183.11656	16.5
184.12454	1.9
185.13254	18.4
187.11198	1.9
187.14830	21.8
189.12772	1.9
189.16403	7.9
191.14342	2.5
191.17987	3.8
193.10092	4.4
193.12044	2.3
193.15923	2.0
195.11676	9.5
197.13255	13.6
199.14818	35.2
201.16377	21.7
203.14355	3.9
203.18036	7.0
205.15872	2.6
207.11821	2.5
208.12537	2.2
209.11563	2.2
209.13303	9.8
211.14824	8.8
213.13039	1.7
213.16377	13.0
215.17998	11.7
217.15878	14.6
217.19731	2.3
219.11743	2.3
219.17416	3.5
221.13231	3.8
223.14812	7.0
225.16379	7.5
227.12770	1.5
227.17920	9.9
229.15794	1.9
229.19539	4.1
231.17497	6.8
235.14801	2.9
237.16389	5.5
239.17935	7.9
241.19421	8.1
243.17509	3.5
243.21111	2.6
245.18991	4.7
247.14758	1.7
248.15813	1.7
249.16333	4.2
251.18028	9.0
253.19502	4.9
255.17528	2.2
255.21088	3.2
257.19003	4.2
259.20691	2.8
263.18039	3.6
265.19501	8.1
267.08823	1.5
267.17667	1.9
267.21008	7.7
269.12445	1.6
269.18994	4.8
269.22604	2.0
271.20630	3.2
275.15891	2.3
277.19449	4.0
279.21042	4.9
281.22632	1.7
283.20563	3.4
285.10162	3.4
291.20959	3.2
293.22675	4.6
297.22302	1.9
305.22607	2.1
309.22028	2.6
311.23746	4.3
313.25073	1.9
317.22678	3.0
319.24197	1.8
331.24350	1.8
333.25656	1.7
335.23807	2.5
345.25723	2.0
347.27454	1.6
349.25253	2.7
351.26978	2.2
361.29059	2.9
363.26962	5.7
377.28232	2.4
389.32071	4.5
390.32639	1.7
391.33838	2.6
393.31860	2.3
401.31970	14.7
407.33118	13.5
419.33078	67.5
420.33478	4.7
437.24969	4.7
437.34155	100.0
438.34467	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
53.76950	0.8
55.01879	5.0
55.05508	25.0
56.96545	2.9
57.03404	3.0
57.07053	2.3
59.04992	1.6
61.02905	1.9
65.03926	1.9
67.05504	33.9
68.05832	1.2
69.03442	4.6
69.07066	16.7
71.04960	2.7
71.49996	1.3
73.02896	2.0
77.03896	1.3
79.05492	22.1
81.03419	33.2
81.07053	37.8
83.04977	4.8
83.08613	24.8
84.08112	2.1
85.02877	3.6
85.06544	2.2
91.05476	25.7
93.06519	1.6
93.07044	25.2
95.04969	11.4
95.08604	29.6
95.78619	0.9
97.02850	3.8
97.06531	9.4
97.09594	1.3
97.10159	21.6
99.04433	1.5
99.08062	1.8
103.05444	1.4
105.07028	28.8
107.04961	5.3
107.08593	31.9
109.05920	1.0
109.06509	9.7
109.10153	30.5
111.04386	1.7
111.08073	22.2
111.24136	1.1
115.05405	1.9
117.07021	7.5
119.08578	29.5
121.06438	3.3
121.09369	1.2
121.10142	17.8
123.08013	3.5
123.11697	9.7
125.08826	1.2
125.09626	19.9
127.03816	1.3
128.06133	2.1
129.06982	9.1
130.07768	1.3
131.07639	1.1
131.08554	16.8
133.06395	2.7
133.10120	18.6
135.04434	1.5
135.08069	5.0
135.11670	11.5
137.05916	1.7
137.09581	2.3
137.13208	4.1
139.11163	1.3
141.06891	1.3
142.07713	4.3
143.08575	11.3
145.10104	20.4
147.07954	3.1
147.10576	1.1
147.11684	17.4
149.09570	4.0
149.13237	7.8
151.11108	2.3
153.08998	2.5
153.12817	1.1
155.08545	6.9
156.09271	2.1
157.10114	19.2
159.08037	2.0
159.11702	18.1
161.09604	2.4
161.13255	8.6
163.03839	1.3
163.11121	3.3
163.14774	3.7
165.05482	1.5
165.06866	1.9
165.09048	2.0
165.12659	3.7
167.07069	1.4
167.08466	3.2
168.09305	1.0
169.10100	8.9
170.10718	1.0
171.07890	1.1
171.10249	1.6
171.11647	11.0
173.09631	1.2
173.11748	1.9
173.13181	10.3
174.63316	0.9
175.11174	4.9
175.14789	7.6
177.12637	1.3
177.16338	3.0
179.08463	1.3
179.14253	1.1
181.10138	5.0
182.10844	1.8
183.11684	10.7
185.04196	7.5
185.09601	1.2
185.13257	8.5
186.13838	1.0
187.11139	1.9
187.14836	9.8
189.09624	1.7
189.11217	14.3
189.12711	1.8
189.16449	5.6
191.10568	1.4
191.14206	1.7
191.17900	2.0
193.10124	3.4
193.12152	15.7
193.15799	1.5
194.10780	1.0
195.11731	6.7
196.12320	2.0
197.13292	7.4
199.11234	1.1
199.14821	8.8
201.03650	2.9
201.12589	1.2
201.16344	9.2
203.05206	5.8
203.14235	2.0
203.17953	2.7
205.15820	1.6
207.11523	2.4
208.12358	1.7
209.11540	1.3
209.13304	7.9
211.13011	1.5
211.14900	7.7
213.16403	7.5
215.14226	1.4
215.17831	3.6
217.15784	3.0
219.11540	1.1
219.17361	1.5
221.13107	3.3
222.13940	1.3
223.14795	4.6
225.16348	5.7
227.12675	7.9
227.17848	4.0
229.15817	1.7
229.19411	2.5
231.17407	2.8
233.13211	1.4
233.19032	1.4
235.14702	2.9
236.15588	1.1
236.18770	1.2
237.16386	5.3
239.17804	4.5
241.15857	1.9
241.19402	3.6
243.17374	2.3
243.21072	1.1
245.18886	2.5
249.16524	1.9
251.17931	5.5
253.15857	1.0
253.19376	4.2
255.17203	1.9
255.21039	2.0
257.15009	2.2
257.18765	3.0
261.16260	1.2
263.17831	1.8
265.19379	2.9
267.08951	2.4
267.17334	3.2
267.20895	4.0
269.12042	1.7
269.18930	5.2
271.20410	2.7
275.16150	100.0
276.16486	6.6
277.19412	2.4
279.20938	2.7
281.22495	1.6
283.20511	2.4
283.23599	1.2
285.10049	5.8
285.21915	1.5
293.22418	1.5
295.20657	2.4
295.24097	1.3
297.21909	2.7
299.19916	1.6
305.22543	1.4
309.21970	2.0
309.25378	1.4
309.75369	1.0
321.25616	1.3
324.11514	2.6
325.25269	1.8
327.26773	1.5
333.25705	1.4
335.16080	1.5
335.23392	1.4
337.24945	1.3
339.26706	3.3
345.25632	1.2
349.24976	1.4
361.28754	2.9
363.26846	2.4
379.30157	5.8
389.31970	1.1
401.31796	2.7
407.33154	5.1
407.37570	1.1
419.24225	2.1
419.33096	26.9
420.33148	1.3
437.21091	85.7
437.34174	65.7
438.21506	13.2
438.34619	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	437.3412
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
53.03922	2.7
55.05508	14.1
57.03426	4.2
57.07076	3.9
59.04969	3.2
59.44597	2.2
60.18451	1.9
65.03933	2.7
65.06399	2.0
67.05181	3.3
67.05506	33.8
69.03433	4.0
69.07069	20.8
69.86710	11.1
71.05003	3.2
79.05479	16.5
81.03427	5.8
81.07059	36.2
83.04967	6.7
83.08618	11.7
85.06538	4.5
86.09715	2.9
91.04949	3.3
91.05466	17.6
93.07045	26.1
95.04964	4.3
95.08604	34.2
97.06528	6.0
97.10175	3.9
98.21413	3.3
99.81590	2.2
105.07023	27.8
107.04915	3.6
107.08586	32.6
109.06496	4.3
109.10149	34.3
111.08063	3.2
113.09610	3.6
113.69763	2.1
115.34964	2.1
117.07009	5.2
119.08584	30.4
121.10152	23.8
122.10531	3.8
123.08062	5.0
123.11722	15.3
125.05378	2.4
125.09654	2.9
129.06999	6.8
131.08548	18.9
133.10117	22.5
135.08105	5.1
135.11707	28.3
137.09644	6.4
137.13216	3.9
139.11180	2.1
142.07719	2.9
143.08556	13.6
145.10103	21.4
147.11714	12.2
149.02383	9.4
149.09653	5.3
149.13289	6.6
151.11171	3.8
153.12712	2.8
155.08534	8.6
156.09338	2.8
157.10121	23.1
159.11670	15.4
161.13272	11.9
163.11177	6.3
163.14825	6.8
168.09341	2.5
169.10190	11.9
171.11736	14.0
173.11934	3.1
173.13274	12.8
175.11069	2.3
175.14833	10.5
177.12735	3.7
177.16380	2.7
179.14346	8.7
181.10124	5.1
183.11668	15.7
185.13277	10.4
187.14845	9.5
189.16356	9.3
191.14397	4.1
191.17940	3.0
193.04938	19.2
193.10219	3.3
193.12178	2.5
193.15865	4.0
194.11092	2.5
195.11734	8.6
197.13223	11.2
199.14847	7.9
201.16400	6.8
203.14343	2.9
203.17999	3.3
203.66904	2.2
205.15964	3.3
207.17493	3.6
209.13277	9.8
211.14883	8.5
213.16409	6.7
215.17995	5.1
221.13330	5.0
223.14876	5.4
225.16370	6.4
227.12662	4.6
227.17961	4.6
229.15793	2.8
231.17508	2.7
235.14929	3.8
237.16379	6.1
239.18042	4.0
241.19511	5.0
243.17398	2.5
243.21294	2.3
245.19025	4.6
249.16412	2.5
251.17986	10.8
253.19585	7.2
255.20923	2.6
257.18961	5.6
263.17953	5.2
265.19632	6.5
267.21127	3.6
269.18903	4.4
271.20718	3.7
275.20245	3.2
279.21088	4.5
283.20590	6.8
293.22574	3.3
295.20496	4.1
297.22217	7.4
309.22083	3.3
311.23676	2.6
323.23538	3.0
345.25681	3.3
349.16953	3.8
355.18417	2.7
363.26468	4.8
365.28510	3.0
367.18146	3.2
369.26639	2.4
391.33920	2.5
401.32291	8.0
409.34570	5.8
419.33096	36.5
420.33411	3.2
437.24963	9.7
437.34183	100.0
438.34586	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	437.3414
Annotation	Alertenone
Peak:m/z	Relative Intensity
53.03943	1.2
55.01874	0.7
55.05514	8.8
55.99135	0.8
57.03431	1.3
57.07062	3.4
57.07321	0.9
67.05504	15.1
67.16594	0.8
69.03434	0.9
69.07066	14.2
69.87093	1.5
69.87513	2.8
71.04986	1.1
71.40680	0.7
79.05497	10.3
81.03415	1.9
81.07059	22.0
83.04975	3.0
83.08624	6.8
85.06543	1.0
91.05476	18.1
93.07046	28.9
95.04963	3.2
95.08607	29.1
97.06530	2.0
97.10183	2.4
98.21422	1.1
102.07178	0.8
103.05442	1.4
105.07034	40.0
106.08498	0.9
107.04985	2.4
107.08592	35.7
109.06529	3.7
109.10160	18.2
111.08060	2.4
115.05474	1.5
117.07011	5.9
119.08579	37.3
121.06533	4.0
121.10144	33.5
123.08080	3.0
123.11701	10.1
125.09606	1.8
128.06248	1.6
129.06992	3.1
130.07750	1.6
131.08571	14.9
133.06488	2.0
133.10126	57.7
135.08017	3.1
135.11687	20.2
137.09636	1.6
137.13260	22.3
139.11201	1.6
142.07797	3.3
143.08566	10.5
144.09351	0.9
145.06517	1.7
145.10126	19.0
146.12494	0.8
147.08072	3.9
147.11696	26.2
149.09648	3.0
149.13254	11.8
151.11221	2.5
153.12726	1.3
155.08548	4.1
156.09375	3.3
157.10126	14.1
158.10898	1.3
159.08072	2.1
159.11699	14.9
161.09641	2.3
161.13268	14.6
163.03918	1.0
163.11226	3.0
163.14793	7.5
165.06978	0.8
165.12685	1.1
167.08551	2.1
168.09521	0.8
169.10121	6.2
170.10860	1.8
171.11691	12.7
172.12427	1.5
173.09688	1.2
173.11819	1.6
173.13242	14.9
174.45534	0.9
175.11217	1.8
175.14809	12.6
177.12767	1.5
177.16396	3.1
179.08661	1.0
179.14320	1.3
181.10135	2.4
182.10957	1.8
183.11694	7.2
185.13211	9.0
187.14810	9.5
189.04466	0.9
189.12758	1.3
189.16376	35.6
191.14293	2.1
191.17928	1.9
193.10086	1.1
194.10904	1.2
195.11661	5.3
196.12453	1.6
197.13219	6.4
199.14803	5.9
201.12749	1.1
201.16386	8.3
203.14374	0.9
203.17879	4.1
207.11691	1.4
208.12488	1.7
209.13370	6.1
210.14015	1.3
211.14821	4.2
213.12767	1.0
213.16348	6.6
215.17998	3.1
217.15820	1.6
217.19244	1.2
219.17471	1.5
221.13304	2.6
223.14781	4.1
225.16435	3.4
227.17958	7.4
229.15912	1.9
229.19447	3.9
231.17439	1.4
235.14848	1.7
235.16977	3.8
236.15619	1.0
237.16422	3.1
239.17990	4.2
241.15782	1.1
241.19476	2.7
243.17450	2.4
243.20937	0.9
245.19046	2.4
247.14697	1.5
247.17009	1.1
251.17987	2.8
253.19528	2.3
255.17458	1.1
255.21146	2.1
257.19043	2.0
261.18484	2.5
265.19525	8.2
267.21164	2.3
269.10696	0.8
269.19049	3.4
269.22675	3.4
271.20584	1.5
275.20309	1.5
276.95743	1.0
277.19525	1.3
279.21024	4.0
280.65894	1.0
281.22626	1.8
283.20544	7.7
285.18463	0.9
285.22098	1.2
287.20074	2.9
297.22162	2.0
299.19928	0.9
301.21692	2.7
305.22620	1.5
311.23611	1.0
323.23569	1.0
331.24301	1.8
333.25674	1.0
349.25223	1.7
351.04605	0.9
359.27222	1.0
391.33795	0.9
401.31873	8.0
419.27808	2.1
419.33041	27.8
420.33481	1.2
437.24319	3.2
437.34192	100.0
438.34534	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	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01863	5.6
55.05508	28.8
56.96561	8.5
57.03427	7.0
57.07067	8.1
59.05007	2.7
61.02925	7.7
67.05505	57.7
69.03428	12.0
69.07066	36.7
70.06591	2.2
71.04990	6.8
71.49771	2.9
73.02928	3.0
73.06538	8.0
79.05492	32.1
81.03417	17.9
81.07055	82.0
83.04987	10.8
83.08620	20.8
84.08119	3.9
85.02905	18.2
85.06544	7.3
86.09701	3.0
87.04464	4.5
91.03959	4.1
91.05473	32.5
92.05807	3.0
93.07040	55.9
95.04956	16.8
95.08607	100.0
97.02903	12.5
97.06528	27.5
97.10170	12.4
98.97581	5.6
99.04475	4.7
99.08100	4.3
103.05466	2.9
105.07027	60.6
107.04939	6.5
107.08590	54.2
109.02904	3.9
109.06538	6.6
109.10154	55.6
111.08076	7.0
113.06078	3.0
113.09658	4.4
115.05434	4.5
116.98611	4.3
117.07007	16.6
119.08578	57.2
121.06532	7.7
121.10150	32.8
123.04441	3.8
123.08082	10.9
123.11715	15.7
125.06029	3.0
125.09664	7.6
125.87271	2.6
127.03906	8.6
128.06229	5.6
129.06966	15.2
131.08554	32.9
133.10121	34.7
134.99695	3.1
135.08090	8.6
135.11668	19.2
137.05960	3.6
137.09607	10.5
137.13257	15.8
141.06949	7.1
142.07806	6.9
143.08562	32.9
144.09352	3.2
145.10118	47.0
147.08072	5.9
147.11690	23.8
148.07527	4.0
148.12053	3.0
149.05951	3.0
149.09618	6.0
149.13264	13.2
151.07698	3.0
153.12738	3.0
155.08492	14.8
155.14282	13.7
156.09360	8.2
157.10126	42.0
159.03065	2.6
159.08075	4.5
159.11673	34.7
161.06013	5.3
161.09702	3.7
161.13239	21.2
163.03963	9.9
163.11230	8.2
163.14867	7.6
165.05525	3.0
165.09148	7.6
165.12759	4.9
167.07068	6.6
167.08505	5.5
168.09221	4.6
169.10109	21.3
170.10898	4.0
171.11670	34.5
173.13257	22.9
173.15448	5.1
175.07562	4.6
175.11230	4.0
175.14838	18.5
177.12758	4.7
177.16380	5.7
179.08572	4.2
179.14291	2.6
181.10143	10.4
183.11723	19.2
185.13286	14.4
187.07626	3.1
187.14833	22.3
189.09158	3.3
189.11278	4.8
189.12852	3.6
189.16428	9.2
193.10199	5.4
193.12222	5.0
195.11726	14.2
197.13316	10.9
199.14807	25.0
201.16403	12.4
203.14320	4.6
203.17990	7.7
207.11771	6.8
209.13309	7.7
211.14879	8.8
213.16310	15.3
215.07066	3.3
215.10820	2.9
215.18068	9.3
217.15807	12.9
221.13371	5.5
223.14885	7.2
225.16455	7.0
227.12726	6.9
227.18007	8.6
229.19566	4.2
231.13936	3.4
231.17439	4.4
237.16460	7.7
239.18033	7.8
241.19653	6.7
242.19449	2.7
249.16412	5.1
251.17992	16.7
253.19583	8.1
255.17291	3.6
257.19040	10.5
259.09799	4.6
261.02515	2.9
263.18030	3.7
265.19711	15.4
265.46429	2.9
267.09122	8.1
267.17563	4.5
267.21170	11.9
269.19034	6.0
269.22485	3.3
277.19443	4.0
279.21042	6.1
281.18842	3.9
283.08554	3.6
283.20685	6.5
285.10165	9.4
285.22031	5.2
293.22690	4.1
301.09616	3.9
305.11777	7.3
309.22156	5.7
311.23856	3.6
319.10562	3.0
327.23419	4.4
332.11029	3.3
335.23773	2.9
337.25345	3.1
359.27634	3.3
365.92081	3.3
379.91312	2.9
389.32175	6.7
391.11975	5.4
391.33719	5.9
393.31760	4.8
401.32227	18.3
407.33157	13.4
419.33078	68.9
420.33490	4.6
437.12497	9.6
437.20667	22.7
437.26254	7.1
437.34235	96.1
438.21933	3.1
438.34131	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	437.3412
Annotation	Ganoderal A
Peak:m/z	Relative Intensity
51.02398	1.2
53.03939	2.0
55.01868	1.0
55.05505	15.7
55.14505	0.8
56.96566	1.0
57.03429	1.3
57.07067	4.0
59.04986	2.5
65.03936	2.3
67.05500	30.4
69.03419	1.0
69.07065	19.2
69.53600	3.0
69.54029	3.4
71.04979	2.4
79.05488	17.9
81.03411	3.5
81.07054	39.0
83.04971	3.2
83.08622	12.3
85.02922	1.4
85.06530	1.7
91.05475	22.3
93.06430	1.3
93.07038	35.6
95.04950	6.3
95.08603	63.5
97.02896	1.4
97.06517	5.1
97.10174	4.8
98.21550	0.8
99.08093	1.3
103.05466	1.3
105.07027	43.1
106.15177	0.8
107.04939	1.8
107.08586	38.4
108.08884	1.3
109.06533	2.8
109.10152	37.1
111.08054	2.9
113.09642	3.5
115.05466	1.7
117.07024	12.1
119.08572	51.5
120.08900	0.9
121.06492	1.5
121.10141	27.7
123.08047	2.5
123.11693	12.5
123.80644	0.9
125.09620	3.1
128.06244	3.6
129.07004	9.1
130.07747	2.3
131.08562	30.0
133.06532	1.1
133.10124	25.1
135.08046	1.8
135.11694	16.8
137.09619	1.8
137.13252	5.4
139.11148	1.9
141.06955	5.3
142.07791	5.2
143.08563	26.9
144.09349	2.5
145.10112	39.6
147.08064	1.7
147.11690	21.4
149.09625	2.1
149.13266	8.8
151.11206	2.0
151.14827	1.5
153.06972	1.5
154.07701	1.0
155.08539	10.9
156.09323	4.4
157.08815	1.7
157.10115	29.6
158.10812	2.1
159.08063	1.6
159.11685	24.5
161.09680	1.7
161.13245	18.3
163.11197	4.4
163.14828	6.6
165.07034	2.3
165.08955	1.0
165.12753	8.8
166.07848	1.2
167.08577	2.6
168.09286	1.6
169.10106	14.9
170.10822	2.7
171.11662	21.5
172.12279	1.4
173.09636	1.8
173.11757	2.4
173.13226	19.0
175.11191	1.8
175.14825	17.5
177.12749	2.4
177.16383	7.5
179.08537	1.6
179.14282	1.5
180.09325	2.0
181.10127	9.2
181.11795	0.9
181.12369	0.9
181.15956	1.3
182.10954	2.5
183.11679	15.1
184.12436	2.1
185.13251	18.4
187.11235	1.7
187.14813	20.7
189.11227	1.2
189.12755	1.3
189.16382	9.7
191.14320	1.7
191.17966	3.6
193.10149	3.9
193.15848	1.7
194.10912	1.6
195.11655	10.4
196.12367	1.6
197.13242	12.7
199.14818	25.5
200.15335	1.4
201.12788	1.0
201.16376	18.2
203.14407	1.8
203.17932	7.2
205.15959	2.4
206.10826	1.5
207.11723	3.4
208.12453	2.6
209.11603	1.1
209.13271	7.2
210.13976	1.0
211.14798	6.5
213.16364	13.6
215.14359	1.8
215.17941	10.7
217.15907	9.0
217.19473	1.4
218.10809	1.1
219.11732	1.7
219.17401	2.5
221.13319	4.6
222.13855	1.3
223.14789	7.4
224.15575	1.5
225.16321	7.8
227.12703	1.3
227.17941	9.6
229.15829	1.9
229.19553	2.6
231.17459	4.7
233.13292	1.2
233.19078	1.2
235.14842	3.7
237.16362	6.3
238.16743	0.9
239.17938	8.0
241.15900	1.4
241.19525	8.5
243.17435	3.3
243.21066	2.8
245.19070	4.6
247.14757	1.4
249.16489	4.1
251.17981	8.0
253.19597	5.6
255.17471	3.0
255.21045	3.2
256.21033	0.9
256.97046	1.0
257.18982	3.5
259.20615	2.6
261.16254	2.0
263.17960	4.3
265.19507	8.1
267.17706	1.8
267.21124	7.8
269.18982	4.8
269.22244	1.3
270.68753	1.0
271.20554	2.5
275.17926	1.3
277.19479	3.2
279.21054	4.2
281.19202	1.3
281.22552	2.0
283.20673	4.3
285.22171	2.1
289.19434	1.2
291.21097	4.1
293.22647	4.0
295.20477	2.5
295.24008	1.8
297.22293	2.4
303.21054	2.1
305.22638	2.2
307.24054	1.7
309.22119	2.7
309.25613	1.2
311.23578	3.0
317.22681	3.1
319.24252	2.9
321.22159	1.5
321.25735	1.8
323.23651	1.5
325.25226	1.3
331.24185	2.0
333.25784	1.7
335.23645	3.0
335.27380	2.5
337.25299	1.6
345.25674	4.9
349.25372	1.1
353.28250	1.2
358.26712	1.6
359.27316	1.7
361.28940	1.3
363.26706	4.5
373.28653	1.1
375.30606	1.6
377.28314	2.0
379.30310	1.6
379.37650	1.1
389.32086	6.9
391.33853	4.1
393.31555	2.7
401.32004	16.0
407.33066	12.5
409.34653	2.9
419.33078	64.3
420.33469	3.0
433.04718	1.0
437.25885	4.6
437.34149	100.0
438.34363	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	437.3413
Annotation	Alertenone
Peak:m/z	Relative Intensity
53.03925	2.2
54.93569	1.7
55.01852	4.4
55.05507	30.2
55.92463	1.8
56.23616	1.8
56.94964	1.6
57.03426	2.7
57.07075	28.4
59.04988	2.2
65.03941	2.9
67.05203	2.4
67.05508	31.9
69.03420	3.5
69.07075	23.6
71.08635	13.3
71.50016	3.5
71.62608	1.9
79.05492	29.1
81.03425	3.0
81.06622	3.0
81.07059	47.7
83.04960	4.7
83.08612	15.7
85.10145	5.4
89.06010	7.5
91.05477	15.7
93.07046	33.8
95.04923	6.7
95.08609	62.0
97.06500	4.7
97.10186	12.1
102.79539	1.9
103.05465	1.8
105.06432	2.1
105.07040	28.5
107.04957	3.1
107.07905	2.5
107.08591	49.8
109.06503	6.4
109.10155	31.2
111.08028	4.1
117.06989	3.8
119.08583	29.7
121.06461	6.9
121.10146	56.6
123.08038	6.8
123.11703	16.7
125.09611	11.5
128.06129	2.4
129.06984	3.0
131.08566	20.0
133.06496	39.3
133.08545	3.3
133.10143	17.0
135.08025	5.8
135.11688	24.1
137.13264	34.5
139.11169	3.6
141.06866	2.0
142.07732	2.9
143.08551	11.0
145.06506	2.1
145.10115	24.5
145.13086	1.8
147.08044	13.9
147.11659	15.2
149.09586	3.7
149.13268	20.3
151.14732	3.0
153.12749	2.5
155.08553	5.1
156.09309	2.0
157.10144	12.5
159.08025	4.5
159.11694	14.8
161.09532	3.5
161.13234	11.0
163.14795	11.0
165.16302	2.3
167.08537	1.7
169.10135	9.0
171.11691	11.5
171.80760	2.1
173.09550	2.7
173.11832	2.6
173.13176	8.6
175.14757	7.2
177.16309	2.6
181.10063	5.0
183.11665	8.1
185.13173	5.9
187.11188	2.5
187.14801	25.0
189.16336	5.0
191.14227	1.8
191.17908	5.9
193.10161	1.7
195.11697	11.1
197.13242	8.3
199.11081	3.1
199.14743	5.7
201.16327	6.1
203.17885	14.8
205.15959	2.2
207.11647	3.4
209.13197	5.7
211.14792	2.3
213.16319	4.8
215.17877	5.8
217.15913	3.1
217.19540	2.1
221.13144	2.4
222.13974	3.5
223.14771	5.6
225.16304	4.4
227.17773	3.0
229.19426	4.0
235.16872	8.8
237.16324	7.8
239.17902	2.3
239.23628	3.6
241.15837	6.1
241.19296	2.3
249.16373	2.6
251.17912	3.3
253.19577	2.6
255.17360	2.2
265.19479	8.1
269.18915	2.6
269.22598	3.5
273.18414	6.8
275.20154	2.8
279.20996	3.0
283.20575	16.9
285.18454	7.6
285.21710	1.8
287.19943	6.7
291.21033	2.8
295.20334	2.0
299.20047	4.3
303.21021	2.5
343.67868	2.1
359.27301	2.7
377.28381	9.3
381.27274	2.8
395.29349	24.8
401.31415	2.2
419.33060	19.4
437.24335	4.0
437.34140	100.0
438.34390	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	438.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.01870	0.5
55.05494	1.0
56.96547	0.6
57.03433	0.7
58.06361	0.3
60.78224	0.3
67.05502	1.8
69.03424	1.3
69.07053	0.8
70.06566	1.0
70.99085	0.9
72.08150	0.5
79.05482	1.7
81.03416	8.9
81.07063	2.1
83.04976	0.7
83.08619	2.1
84.04499	0.4
84.08138	0.7
85.02889	0.8
86.09689	0.8
91.05497	1.6
93.07031	1.3
95.04969	2.8
95.08607	0.9
97.02876	1.0
97.06524	1.3
98.97572	0.7
105.07015	1.1
107.04971	1.1
107.08604	0.7
109.06506	0.6
111.08060	0.5
116.98621	0.4
119.03543	1.0
119.08591	0.9
120.08114	0.6
121.06470	0.4
121.10152	0.9
129.07039	0.7
131.00246	0.4
131.08575	1.3
133.06497	0.8
133.10144	1.0
134.09679	0.8
136.06184	100.0
137.04596	1.0
137.09610	0.3
138.09140	0.5
139.03893	0.5
146.06055	0.4
146.99702	0.3
147.11742	0.9
149.01280	0.4
149.09644	0.4
157.10118	1.2
160.40965	0.4
162.09120	0.8
167.07068	0.4
175.11177	1.5
180.07204	0.4
180.57462	0.4
191.14264	0.5
193.12247	5.0
201.05527	0.5
204.10172	1.6
211.13237	0.5
214.08592	0.7
244.10490	0.6
252.09476	1.1
252.59540	1.4
253.09613	0.6
267.15945	2.1
269.12433	0.7
271.10135	1.0
285.09848	0.4
285.16968	1.5
313.11887	1.6
420.12006	0.5
420.22464	3.4
438.13751	0.8
438.23712	4.1
439.23624	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	438.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53842	0.2
53.03922	0.3
55.01870	0.4
55.05505	0.7
57.03426	0.6
61.68410	0.2
67.05506	0.9
69.03432	0.5
69.07056	0.5
70.06610	0.2
71.04980	0.4
71.49047	0.2
72.08137	0.2
79.05511	1.1
81.03417	9.4
81.07058	1.4
81.42489	0.2
83.04971	0.8
83.08627	2.3
84.04482	0.3
84.08120	0.4
85.02908	0.3
86.09694	0.7
91.05471	1.9
93.07047	0.8
95.04967	3.0
95.08607	0.4
97.02892	0.2
97.06541	0.6
97.10175	0.3
105.07046	1.1
107.04950	0.7
107.08591	0.6
109.05144	0.2
109.06480	0.3
111.08054	0.7
119.03542	0.6
119.08590	1.3
120.08122	0.2
121.06458	0.3
121.10139	0.8
125.09719	0.2
129.06975	1.0
131.08559	0.8
133.06468	0.3
133.10129	0.4
136.06181	100.0
137.04631	0.9
137.06491	0.6
142.07761	0.4
146.11836	0.3
147.04480	0.2
147.08041	0.5
147.11690	0.6
149.09633	0.5
157.10126	1.0
165.12776	0.2
174.07747	0.3
174.35332	0.2
175.11172	1.3
193.12253	5.6
201.05434	0.2
211.13289	0.6
213.05219	0.2
251.88799	0.2
267.15930	3.5
271.10260	0.2
285.16962	1.3
286.10742	0.2
334.10529	0.2
377.32144	0.2
420.22427	3.8
438.13950	0.8
438.17865	0.2
438.23557	2.0
439.14917	0.2
455.52777	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	439.1426
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
56.14628	0.3
60.31845	0.3
68.40899	0.3
69.33529	1.8
69.33949	1.0
70.06577	0.4
70.52254	0.3
79.24296	0.3
85.02909	0.5
85.39224	0.3
96.92238	7.8
98.97581	0.4
112.89507	0.3
115.03703	0.3
115.63411	0.3
116.98588	0.4
123.64582	0.3
133.03473	1.0
149.50273	0.3
151.04477	0.4
161.03006	0.4
173.02942	0.4
175.04532	0.5
177.00739	0.4
180.97467	0.5
203.05409	0.4
209.79576	0.3
217.05661	0.5
231.06975	0.3
245.04982	0.4
277.08969	24.7
278.09427	0.5
295.08865	1.0
311.29877	0.3
321.10367	0.9
347.09552	0.4
364.11279	0.3
365.10648	3.1
381.07831	1.2
439.14255	100.0
440.14578	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	439.2306
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
50.99818	0.3
55.01879	0.4
55.05499	0.6
56.96565	0.9
57.03431	0.4
61.01876	0.2
64.27791	0.2
67.05511	0.8
69.03427	0.6
69.07063	0.8
69.59695	1.7
72.07213	0.3
73.02897	0.6
76.85654	0.3
79.05495	0.8
81.03416	0.5
81.07063	1.1
83.04980	0.6
85.02889	0.6
89.38752	0.3
91.05486	1.0
93.07029	0.5
95.01096	0.5
95.04970	0.6
95.08623	0.8
96.01870	0.4
97.02795	0.4
97.06536	2.5
98.97576	0.5
98.98406	0.3
103.28038	0.2
105.07016	0.8
107.04939	0.8
107.08592	0.5
109.00309	0.2
109.02864	0.3
109.10223	0.3
111.04421	0.3
113.02176	0.6
115.05534	0.2
116.98594	0.4
118.06535	0.7
119.08598	0.7
120.08097	0.8
121.10146	0.6
123.04475	0.2
123.08112	0.3
127.03801	0.6
128.09129	0.2
129.06920	0.3
133.06503	0.2
133.10138	0.7
135.04385	0.4
135.08052	0.7
139.03854	0.3
141.05333	0.3
143.00061	0.3
143.08577	0.5
145.04993	0.3
145.10088	0.3
147.08084	0.5
147.11642	0.5
149.09648	0.4
157.04832	0.4
157.10141	0.7
159.11797	0.3
161.09650	1.9
161.13394	0.3
163.03963	0.6
165.05508	0.7
167.07048	0.4
169.04713	0.7
173.02332	0.3
185.04337	0.4
186.04994	0.3
191.14400	0.6
201.03719	0.7
201.09229	0.3
203.05257	2.1
203.14351	0.6
204.15099	0.6
207.10175	1.5
215.07021	0.4
220.11317	1.0
221.11748	0.6
228.10077	0.4
231.10190	0.3
234.58905	0.3
259.09738	0.8
259.16739	2.4
261.18222	0.8
263.16461	5.0
265.13385	0.4
267.16006	0.4
271.11545	0.3
277.10895	0.3
277.17725	2.7
278.64594	0.2
281.07370	0.3
317.53766	0.3
369.18872	5.6
379.17630	0.7
394.17645	0.7
439.23093	100.0
440.23441	2.4
449.11578	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	439.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36448	0.3
55.48235	0.3
55.69110	0.3
56.96558	0.9
61.02917	0.3
67.05502	1.1
69.03423	0.5
69.07061	0.8
71.33742	0.4
79.05494	1.1
81.03326	0.3
81.07053	1.1
82.86784	0.3
83.01097	0.3
85.02906	0.8
91.05490	0.8
93.07047	0.7
95.01067	0.6
95.04963	0.5
95.08605	0.9
96.01897	0.4
97.02698	0.5
97.06525	2.0
98.97594	1.1
105.07018	1.2
107.04956	1.0
107.08584	0.9
109.10147	0.6
113.02130	0.7
116.98630	0.6
119.08604	0.7
121.10154	0.7
131.08554	0.6
133.10138	0.7
134.99669	0.3
135.11668	0.4
141.05260	0.5
147.07996	0.3
147.11626	0.4
157.04713	0.4
157.10162	0.4
158.99655	0.4
163.03955	0.4
165.05527	0.7
167.06993	0.5
169.04735	0.6
177.00703	0.7
185.04239	0.3
190.93030	0.4
203.05257	3.5
207.13681	0.4
215.07043	0.4
220.10463	0.6
220.60495	0.5
229.10829	0.3
259.09702	1.1
259.16711	2.5
262.06778	0.4
263.16501	0.5
267.09122	0.5
269.12253	0.5
271.11734	0.4
277.17691	1.6
285.10184	1.2
291.13885	0.4
291.32489	0.3
307.13608	0.4
340.64059	0.3
340.68671	0.3
369.18878	5.9
393.13632	0.3
414.42328	0.3
421.13028	0.6
439.23059	100.0
440.23349	2.0
445.32224	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	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
52.28247	1.6
53.03928	2.1
55.01866	2.8
55.05510	21.9
56.96547	2.7
57.03424	2.2
57.07074	6.8
59.04994	2.1
60.46009	1.6
65.03924	2.1
67.05502	43.8
69.03399	3.4
69.07066	24.6
70.66193	3.7
70.66540	2.5
71.05005	4.6
71.08621	4.1
79.05500	18.3
81.03409	6.9
81.07053	48.2
83.04967	5.3
83.08616	14.9
85.02933	3.5
85.06554	2.9
87.30473	1.9
87.60114	1.8
91.05477	24.9
93.07047	40.2
95.04964	8.3
95.08603	55.2
97.02746	1.6
97.06528	5.0
97.10154	6.7
97.22534	1.9
99.08083	3.5
103.05518	1.6
105.07030	35.8
106.06196	1.9
107.04951	2.7
107.08586	52.0
108.24620	2.0
109.06543	5.2
109.10156	52.8
109.27428	1.6
111.08077	7.7
111.11725	2.3
115.05459	2.2
117.07011	6.9
119.08582	43.0
119.09391	3.3
121.06508	3.4
121.10145	46.9
123.08081	3.1
123.11711	17.6
125.09614	3.3
128.06166	2.4
129.07039	3.6
131.08572	17.4
133.10135	29.0
135.08058	4.7
135.11682	21.8
137.09688	3.4
137.13263	9.5
139.11229	4.4
141.07045	2.3
142.07802	3.2
143.08566	13.6
145.10117	30.0
147.08057	3.9
147.11679	24.5
149.09656	5.5
149.13266	12.3
149.78891	1.7
151.11232	6.1
151.14803	3.3
153.12802	2.0
155.08556	8.1
156.03897	3.0
156.09320	2.7
157.10133	18.7
158.10960	2.3
159.08162	3.4
159.11691	28.8
161.09625	3.0
161.13234	15.4
162.57611	1.9
163.11176	3.6
163.14763	10.6
165.12764	2.0
168.09326	3.7
169.04749	2.3
169.10141	9.3
171.11671	19.8
173.09705	2.9
173.11813	4.4
173.13292	16.2
175.11198	4.4
175.14813	14.5
177.12793	2.4
177.16446	13.0
179.14362	5.8
181.10158	4.0
181.15959	2.7
182.10860	2.4
183.11700	12.8
185.13263	17.3
187.11180	3.4
187.14786	14.5
189.12790	3.1
189.16396	17.1
191.14293	3.5
191.17915	3.7
193.12291	7.7
195.11734	6.2
196.12439	2.1
197.13229	11.6
199.14864	6.8
201.16374	12.8
203.14470	2.9
203.18001	8.7
205.15981	2.0
205.19594	2.8
207.17461	3.4
209.13333	7.5
211.11391	2.1
211.13251	5.5
211.14906	6.6
213.16380	7.8
215.17947	12.1
217.15863	3.5
217.19553	4.8
221.13271	2.6
223.14868	3.1
225.16412	7.2
227.18021	9.2
229.19568	6.5
231.17505	3.8
233.19099	3.5
235.16969	2.3
237.16400	3.1
239.17975	6.6
241.19485	10.2
243.17421	2.4
243.21277	3.3
245.19063	4.9
247.20624	2.1
251.18022	5.4
253.19725	9.3
255.21182	4.9
257.19110	3.3
257.22562	2.8
259.20682	6.6
265.19608	2.8
267.21011	9.8
269.13611	42.1
269.18991	3.1
269.22656	5.0
271.20605	8.8
275.20074	5.4
279.21008	3.5
281.22653	2.9
285.22217	7.8
295.24197	2.4
311.23648	3.8
325.25284	2.7
327.23068	2.0
328.24039	4.9
335.27386	2.2
365.28656	3.2
381.31714	2.3
403.33749	9.7
403.38754	2.0
421.29312	3.4
421.34674	44.4
439.27371	14.7
439.35791	100.0
440.36258	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	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03933	2.2
55.05508	9.4
57.03441	1.5
57.07060	5.3
58.16724	1.2
58.85752	1.4
67.05508	11.9
69.07076	13.8
69.43981	9.6
72.71090	1.3
79.05496	8.5
81.07058	23.0
83.04986	1.8
83.08620	6.7
91.05495	7.1
93.07043	23.2
95.04975	1.2
95.08607	42.5
95.09194	3.1
97.06499	2.1
97.10170	3.2
105.07040	14.1
107.08596	38.2
107.09317	2.0
108.15687	1.4
109.06485	1.6
109.10167	24.3
111.08098	6.6
117.07031	1.8
119.08580	20.1
121.10142	33.2
123.11732	13.7
129.06976	2.1
131.08588	6.2
133.10144	19.8
135.11693	18.5
137.13269	5.5
139.11131	2.1
143.08560	4.4
145.10130	14.8
147.11681	11.1
149.13255	19.3
151.14821	4.6
153.12782	1.5
155.08572	2.2
156.09407	2.9
157.10127	9.6
159.11678	18.1
161.13257	12.6
163.14812	4.3
165.12798	2.4
169.10045	2.9
170.10919	1.3
171.11702	16.0
172.12202	1.5
173.13269	11.5
175.14833	5.5
176.75467	1.3
177.16322	10.4
183.11641	9.1
185.13258	8.0
187.14789	7.7
189.16374	4.6
191.17896	6.4
195.11729	1.9
197.13295	10.0
198.14160	1.4
199.14775	9.3
200.15596	1.6
201.16418	4.0
203.18031	3.5
205.15831	1.9
209.13184	2.4
211.14824	5.3
213.16368	3.2
215.17986	3.5
217.15913	2.4
219.17345	1.6
223.14835	2.9
224.15639	1.8
225.16356	3.5
227.17851	9.3
229.19557	1.8
237.16348	2.1
239.17921	4.2
241.19537	6.6
243.20923	1.5
245.18950	3.0
251.17957	2.4
253.19449	3.2
255.21068	1.7
257.22653	3.5
259.20605	5.9
265.19571	2.8
267.21051	7.7
271.20544	2.9
273.22141	4.1
275.23697	2.1
281.22522	3.6
283.20691	2.9
285.22049	9.8
299.23831	2.4
311.23749	1.8
325.25345	2.0
327.26688	1.7
351.26657	1.4
403.33594	5.2
421.34598	40.4
422.35110	3.1
439.35727	100.0
440.35788	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	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05509	11.2
56.67130	1.2
57.07074	6.1
59.04967	1.2
65.03927	1.1
67.05504	16.4
68.16827	0.9
69.07066	22.3
70.10925	4.3
71.08613	2.8
73.68434	1.0
79.05491	13.7
81.07053	34.3
82.07407	1.1
83.08626	10.6
91.05472	13.4
93.06434	1.6
93.07036	29.6
95.04959	2.3
95.08604	64.1
97.10163	7.2
105.07032	33.3
107.08590	50.8
109.06514	1.7
109.10152	40.7
111.11713	2.1
115.05482	1.0
117.07024	3.0
119.08578	56.6
121.10137	42.3
123.08112	1.3
123.11709	20.7
125.09649	2.3
127.21981	0.9
127.70435	1.2
129.07021	1.1
131.08524	6.4
133.10123	46.0
134.10481	1.4
135.11688	30.4
137.13278	9.3
137.14220	1.5
139.07597	1.0
141.75040	1.0
143.08560	2.9
145.10133	9.9
146.46445	1.0
147.11679	38.3
149.13258	24.6
151.14838	2.1
153.09122	6.3
155.08633	1.1
157.10133	4.0
159.11671	7.8
160.12471	1.1
161.13248	23.7
163.11188	1.0
163.14799	15.2
167.10699	4.3
171.11693	2.4
173.13257	6.5
175.11156	1.4
175.14810	16.5
177.16336	9.0
179.10725	2.2
183.11726	1.2
185.13269	1.7
187.14821	7.3
189.16373	63.4
191.17940	69.2
192.18300	1.4
193.12267	1.9
199.14803	1.4
201.16371	16.3
203.17947	100.0
204.18324	1.6
205.19501	18.2
207.13826	1.3
207.17444	2.7
213.16338	2.9
215.17946	7.6
217.16104	2.1
217.19518	17.0
219.21074	1.1
221.15359	1.3
221.19029	4.5
225.16412	1.4
227.18097	1.4
229.19456	2.5
231.17448	3.6
231.20972	6.2
235.16962	7.3
241.19496	2.8
243.21037	2.8
245.22621	4.8
247.16948	7.7
249.18462	18.5
257.22717	2.9
261.18539	3.8
269.22507	1.2
271.24362	1.3
287.20291	1.2
301.21777	1.1
329.08728	1.3
329.25189	1.3
393.35144	7.8
421.34760	6.2
439.35742	47.3
440.35950	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	439.357
Annotation	21-Hydroxylanosta-7,9(11),24-trien-3-one
Peak:m/z	Relative Intensity
53.03924	1.6
55.05510	11.0
57.03429	1.4
57.07076	5.9
59.04990	1.6
67.05503	15.9
69.06744	1.6
69.07070	18.4
69.58350	6.8
71.04996	11.0
71.08620	1.3
74.24502	1.0
79.05485	10.4
81.07057	37.8
83.04972	1.2
83.08609	11.1
85.06518	1.4
91.05477	13.8
93.07044	27.1
93.79391	1.2
95.04967	2.1
95.08607	44.9
97.10173	5.2
101.91566	1.1
105.07034	28.7
107.08593	46.5
109.10157	32.5
111.08095	3.0
111.11731	2.2
117.06985	5.2
119.08580	34.7
121.10139	35.2
123.08070	2.3
123.11701	19.0
125.13281	1.1
128.06195	1.9
129.07019	6.0
131.08559	19.7
133.10129	25.6
135.11693	23.0
137.13257	10.2
139.11171	2.1
141.06979	2.9
142.07768	3.5
143.08554	14.7
144.09311	1.8
145.10117	25.6
147.08051	1.4
147.11687	19.2
149.09636	1.9
149.13269	9.5
151.11162	1.6
151.14864	2.1
153.12712	1.4
154.07793	1.5
155.08562	8.3
156.09367	3.1
157.10132	20.9
158.10924	2.4
159.11690	27.2
161.13263	21.5
163.14828	14.8
165.12726	2.2
165.16388	1.7
167.08560	2.0
168.09311	1.3
169.10127	12.9
170.10829	2.6
171.11699	14.0
173.13280	17.8
175.14830	16.5
177.16412	10.5
179.14296	5.5
181.10172	3.1
181.15891	2.1
182.10881	1.7
183.11674	13.8
185.13251	16.6
187.14812	15.2
189.12712	1.5
189.16388	11.4
191.14317	3.3
191.17953	8.9
193.15916	1.8
195.11662	5.2
196.12399	1.7
196.52847	1.4
197.13239	11.6
198.14084	1.3
199.14854	9.6
201.16344	9.4
203.14656	1.1
203.17949	5.2
205.15894	3.2
205.19586	2.2
207.17432	2.2
208.12468	1.4
209.13234	5.2
209.19145	1.1
210.14110	1.9
211.14816	10.8
212.15579	1.1
213.16389	12.9
215.17979	11.5
217.15804	2.1
219.17426	2.4
221.13274	2.0
223.14835	5.3
224.15637	2.2
225.16350	12.0
227.17946	13.6
229.19536	7.4
231.17535	2.0
231.21144	1.6
233.19017	4.5
233.46275	1.2
235.14809	1.5
235.17055	1.3
237.16402	3.7
239.17946	6.2
239.63760	1.2
241.19530	10.4
243.17453	1.9
243.21066	3.3
245.19038	4.4
247.20615	1.6
249.16422	1.8
251.17896	6.6
253.19527	8.3
255.21130	4.8
257.18994	3.7
257.22531	1.9
259.20544	4.8
265.19461	5.6
267.21051	10.4
269.19046	3.0
269.22720	3.5
271.20642	8.4
276.27618	1.2
277.19147	1.4
279.21173	3.8
281.22604	8.8
283.20737	2.4
283.24210	1.2
285.22162	6.3
285.25555	1.1
287.20062	2.5
287.23770	1.7
291.21152	2.2
293.22504	2.1
295.24216	2.4
297.22211	3.5
299.23749	5.8
307.24304	2.1
309.25891	1.8
311.23621	2.2
319.24319	1.8
321.25772	1.8
325.25351	2.8
333.25760	2.6
334.26166	1.1
335.27420	1.6
347.27243	2.4
349.28976	4.7
351.26773	2.4
351.30493	26.2
365.28250	2.8
367.30038	9.6
379.30109	1.5
403.33585	19.8
409.34570	2.1
411.32312	8.2
421.34625	54.3
422.35196	2.6
439.35721	100.0
440.36069	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05504	9.9
57.03421	2.1
57.07072	5.6
67.05501	24.4
69.07068	17.9
70.75330	1.9
70.75664	4.4
71.04993	2.8
79.05495	8.9
81.03421	2.2
81.07056	29.0
83.04984	2.7
83.08617	15.5
86.48985	1.8
91.05467	11.1
93.07041	22.4
95.04970	7.2
95.07997	3.0
95.08603	51.4
97.06542	3.7
97.10161	2.7
98.70776	1.7
103.05438	2.4
105.07010	22.8
107.08582	28.4
109.06524	2.4
109.10152	33.3
111.08095	3.1
115.08442	1.6
117.07031	3.0
118.28989	1.9
119.08581	31.2
121.06520	6.3
121.10139	40.4
123.08041	5.0
123.11691	16.3
125.09606	3.0
130.07727	1.8
131.08556	15.2
133.06508	6.1
133.10126	20.0
135.08096	5.2
135.11668	13.6
137.13258	20.7
139.11165	5.7
139.99698	1.7
142.07825	2.3
143.08560	10.0
145.10124	19.5
147.08072	5.7
147.11705	10.9
149.09636	4.9
149.13235	14.7
150.52440	2.4
151.14798	4.1
155.08559	6.2
157.10161	12.2
159.08067	6.1
159.11685	10.6
161.09695	1.9
161.13271	7.3
163.14830	3.2
165.16565	2.3
169.10150	6.9
171.11659	9.4
173.09622	3.4
173.11928	2.5
173.13316	7.5
175.11209	2.5
175.14832	4.2
177.16383	4.3
177.94647	1.8
180.01433	2.0
181.10104	3.8
183.11780	9.2
185.13278	6.2
187.11237	2.0
187.14810	4.1
189.16330	4.5
193.10080	2.8
193.12143	1.9
195.11746	3.5
196.12572	1.9
197.13219	9.4
199.14915	4.2
201.16461	2.4
205.19511	2.5
209.13274	2.9
211.14890	5.0
213.16429	4.7
215.18001	3.5
217.15915	2.2
217.19566	6.2
223.14902	3.2
225.16400	3.7
227.17947	4.1
229.19595	3.6
235.14772	2.3
235.17012	6.3
239.18015	3.6
241.19536	2.9
243.17624	3.3
245.18921	4.5
251.17917	6.6
253.19458	2.8
261.18564	6.8
265.19522	3.7
267.21140	6.0
269.13629	5.5
269.19135	5.5
269.22672	2.0
271.20627	5.7
271.24002	2.6
273.18692	2.3
281.22589	4.3
283.20889	3.3
285.22098	12.8
287.19937	10.0
289.21695	4.4
297.22382	2.9
297.25888	2.4
299.23703	2.5
301.21707	2.6
305.18814	2.1
315.23251	2.0
363.12561	2.1
403.33542	13.5
421.34671	32.7
422.34836	3.5
439.26505	4.5
439.35757	100.0
440.36172	4.1
457.38123	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05513	9.9
57.07076	8.9
67.05503	16.5
69.07069	16.8
69.28033	11.6
69.39936	1.1
71.08618	2.3
79.05501	10.6
80.49651	1.2
81.03393	1.4
81.07058	31.7
83.04977	3.3
83.08617	9.8
85.06549	1.5
85.10165	1.4
91.05475	10.7
93.07051	25.1
95.04975	4.8
95.08612	56.0
97.06508	1.5
97.10159	4.3
105.07024	19.6
107.04962	1.8
107.08590	29.2
109.06566	2.8
109.10159	39.7
111.08082	2.8
111.11733	2.0
115.05408	1.1
117.07027	3.6
119.04964	2.5
119.08582	24.8
121.06499	6.6
121.10143	40.4
123.08054	5.4
123.11703	19.1
125.09653	2.7
129.06989	2.5
131.08554	10.9
133.06454	5.5
133.10130	20.4
135.05605	1.1
135.08063	3.6
135.11711	14.4
137.13255	18.7
139.11169	2.3
141.06964	1.4
142.07759	2.0
143.08586	5.3
144.09364	1.3
145.10107	14.6
147.08073	5.2
147.11688	14.0
149.09641	5.7
149.13261	10.4
151.14812	13.0
155.08537	2.8
156.09384	1.6
157.10120	7.0
159.08052	2.1
159.11705	14.1
161.09628	3.6
161.13237	10.0
163.11148	2.5
163.14824	5.3
165.12833	1.3
165.16400	1.5
169.10149	4.4
171.08041	1.8
171.11696	8.5
173.09590	1.8
173.13275	8.3
175.11205	3.1
175.14819	6.0
177.12805	1.5
177.16408	5.0
181.10083	1.7
183.11710	4.7
185.13190	5.5
187.11250	1.9
187.14803	7.1
189.12733	2.1
189.16405	7.2
191.14305	2.0
191.17960	9.4
195.11739	2.1
197.13268	4.4
199.14854	3.8
201.12738	1.7
201.16373	5.4
203.14336	1.5
203.17978	4.3
205.15912	2.0
205.19496	5.9
207.17499	2.0
209.13268	2.9
211.14832	4.0
213.13055	1.4
213.16377	4.2
215.14301	2.4
215.17897	3.1
217.15971	3.6
217.19556	4.9
225.16486	4.0
227.18028	3.5
229.15953	1.7
229.19490	2.7
231.17429	1.3
231.21103	4.3
235.14778	2.3
235.16943	10.9
237.16599	1.8
238.58231	1.6
239.17970	3.0
241.19519	2.4
243.21176	1.8
247.17068	3.5
251.17970	2.1
253.19504	2.8
255.21071	1.9
257.19171	2.5
261.18567	2.4
267.21213	3.1
269.18985	3.0
269.22586	1.7
271.20523	1.9
271.24167	1.2
273.18604	5.7
275.20139	4.7
281.22845	2.4
283.20648	3.1
285.22174	5.9
287.20093	10.6
287.23123	1.6
291.20837	1.7
295.23883	1.7
297.25644	1.4
299.23520	1.2
301.21671	3.8
311.23727	1.5
335.27087	1.7
337.25455	1.7
379.30151	1.5
403.33853	8.0
411.32562	3.8
416.93961	1.3
421.34723	23.4
439.35742	100.0
440.35977	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	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05515	8.4
57.07077	9.5
62.91341	1.4
67.05498	14.4
69.07067	17.2
69.59215	4.9
69.59645	5.2
71.08639	2.2
71.22569	1.6
79.05495	9.1
81.07053	34.2
83.04957	1.8
83.08614	12.2
83.17410	1.3
86.92220	1.3
91.05471	10.2
92.57378	1.3
93.07043	25.0
95.04975	4.7
95.07997	3.2
95.08608	57.4
97.06547	2.5
97.10155	3.4
105.07033	21.6
107.08597	26.9
109.10156	37.3
109.10867	2.7
111.08068	1.6
111.11714	3.4
111.35329	1.5
117.06994	2.7
119.04959	2.9
119.08584	30.2
121.06521	5.4
121.10148	45.5
123.08073	1.9
123.11701	20.2
125.09681	2.0
129.06953	1.9
131.08556	12.0
133.06528	4.9
133.10129	15.6
135.08046	2.1
135.11690	12.7
137.09619	2.0
137.13264	27.2
139.11169	4.4
143.08549	8.3
145.10130	19.6
147.08043	6.8
147.11711	9.9
149.13278	12.3
151.14839	6.8
155.08583	3.9
157.10168	13.9
158.10895	1.7
159.08051	6.3
159.11693	12.1
161.09619	3.0
161.13243	8.4
163.11250	2.1
163.14816	2.4
163.34361	1.7
165.16428	3.6
169.10143	8.5
171.11670	9.6
173.09608	4.7
173.13264	8.1
175.11255	2.3
175.14816	5.1
177.16461	7.5
179.14391	2.8
181.10127	3.6
183.11652	7.2
185.13232	9.3
187.11243	2.3
187.14748	8.6
189.12776	2.0
189.16330	2.7
191.18022	2.9
195.11766	3.2
197.13165	7.4
199.14819	5.7
201.12756	1.6
201.16389	3.7
205.19559	6.6
209.13263	5.2
209.15179	1.9
211.14844	2.9
213.16396	3.6
215.17963	2.5
225.16437	4.4
227.17987	6.2
229.19525	2.7
231.17535	2.4
231.20992	2.0
235.17009	8.3
237.16537	1.9
239.17870	2.4
241.19691	3.7
243.17514	1.8
243.21069	3.5
245.19041	4.2
245.22711	2.9
249.35138	1.5
251.17949	7.6
253.19592	1.6
255.17473	2.3
255.20955	1.6
257.19031	3.1
260.90738	1.7
261.18549	6.9
265.19583	2.8
267.21066	6.5
269.19031	7.0
269.22629	4.3
271.20694	4.5
273.18579	4.2
281.22839	2.2
283.20615	3.9
285.22159	13.8
287.20032	8.5
289.21692	3.4
291.20926	1.9
295.24362	2.0
297.25781	1.5
299.23676	2.7
301.21545	3.2
315.23126	2.6
321.25613	2.1
323.23618	2.0
333.25519	1.7
365.28293	1.8
393.35349	2.8
403.33704	11.6
421.34656	30.0
439.35724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03933	1.5
53.45381	0.9
55.05272	1.4
55.05509	15.9
56.96550	1.3
57.03427	1.8
57.07075	8.8
58.13691	1.0
59.04987	1.2
62.80114	0.9
65.03926	1.3
67.05145	1.7
67.05504	32.7
69.03426	1.3
69.07066	18.5
71.04997	1.4
71.08617	1.9
79.05493	10.8
81.03416	7.0
81.07055	38.0
83.04967	5.7
83.08620	16.2
85.02895	3.4
85.06520	2.4
91.05471	15.0
93.07037	20.4
95.04977	5.9
95.08604	55.8
97.06519	3.9
97.10161	5.2
98.21555	2.3
105.07028	26.1
107.04980	1.5
107.07996	0.7
107.08583	30.5
109.06512	3.5
109.10152	49.5
111.08070	3.8
111.11676	2.2
117.07007	5.0
119.08580	34.4
121.06543	1.4
121.10144	29.3
123.08069	4.4
123.11705	19.0
125.09627	2.2
126.71317	1.4
128.06218	1.2
129.06984	4.4
130.90843	1.2
131.08575	16.3
133.10124	21.7
135.08046	3.3
135.11699	18.4
137.09584	3.6
137.13261	24.9
139.11160	1.6
142.07762	2.5
143.08530	10.0
144.09352	1.8
145.10121	19.3
147.11673	18.8
149.09573	1.7
149.13239	13.9
151.11162	2.9
151.14822	6.9
155.08578	3.1
155.10672	1.7
156.09358	1.9
157.10133	18.7
158.10773	1.6
159.11699	19.5
161.09622	1.6
161.13223	10.9
163.11179	2.2
163.14790	7.5
165.16408	4.9
167.08553	1.5
168.09312	1.2
169.10120	9.5
171.11707	13.0
172.12445	1.7
173.11745	3.9
173.13284	12.1
175.11182	3.5
175.14824	7.1
177.12860	2.5
177.16391	6.5
180.09349	1.3
181.10117	3.4
183.11668	6.6
185.04721	1.3
185.13213	9.4
187.11182	1.5
187.14815	7.8
189.12825	1.9
189.16426	5.2
191.14308	1.9
191.17888	5.7
193.12257	6.5
195.11734	3.7
195.13852	4.0
196.12517	1.4
197.13335	6.0
199.14809	9.0
201.12753	2.9
201.16406	6.3
203.14302	2.1
203.18002	4.8
205.15872	2.2
205.19540	1.5
207.13765	2.3
209.13283	3.3
211.13097	8.4
211.14856	4.2
213.16406	6.6
215.14362	1.8
215.17972	4.9
217.15973	1.9
217.19495	3.8
219.17412	1.3
223.14845	3.6
225.16342	5.7
227.17953	5.4
229.15996	1.6
229.19481	3.7
231.17404	1.6
231.21024	1.3
231.44839	1.4
235.14685	1.3
237.16379	3.9
239.17935	3.3
241.15858	1.2
241.19508	3.9
243.17516	2.7
243.21083	4.4
245.19002	2.5
245.22791	1.9
251.17853	2.9
253.19525	2.3
255.21065	2.5
261.18689	1.9
265.19482	2.1
267.21109	2.0
269.19009	3.0
269.22678	4.8
271.20605	2.2
273.18503	5.0
279.21112	2.1
283.20630	4.5
283.24289	5.4
285.22348	1.2
287.20084	9.6
289.21777	1.6
293.22681	1.6
293.30243	1.1
301.21536	10.1
307.24228	1.3
309.25787	1.2
311.27374	1.2
315.23267	2.3
316.02472	1.2
321.26050	1.4
323.27332	3.0
327.23221	2.2
335.27335	2.0
337.28931	2.5
339.26859	1.4
349.29065	2.4
365.28296	1.6
383.29504	1.8
397.30865	1.4
403.33679	8.8
421.34641	28.9
439.26987	10.4
439.35733	100.0
440.36142	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	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03944	3.5
55.05510	18.1
57.07072	6.6
65.03934	2.1
67.05505	29.6
69.07068	28.2
69.91234	5.5
71.04981	1.8
71.08643	2.1
73.78592	1.2
79.05491	16.5
81.07053	44.2
81.07533	2.3
83.04978	3.6
83.08622	12.4
91.05468	21.1
93.07046	43.9
95.04977	4.5
95.08604	83.7
97.06517	3.9
97.10165	8.0
105.07027	45.9
105.07705	2.8
107.08590	60.4
108.08929	1.7
109.06518	3.8
109.10152	55.1
111.08071	4.0
111.11636	1.4
113.09674	3.8
117.07001	10.1
119.08580	59.8
121.10143	45.1
123.08073	4.2
123.11708	21.4
125.09654	3.5
128.06201	2.1
129.06969	6.2
130.07777	1.7
131.08565	26.5
133.10124	33.5
135.11691	29.8
137.09651	2.5
137.13248	19.0
137.66077	1.3
139.11140	3.5
141.07013	3.7
142.07816	3.8
143.08559	15.8
145.10120	40.5
147.11678	27.9
149.02332	6.5
149.09557	1.7
149.13258	24.0
150.02605	1.3
151.11211	1.4
151.14745	3.0
155.08568	6.8
156.09340	2.8
157.10117	21.3
158.10909	3.8
159.11700	35.3
160.12257	1.6
161.13258	35.2
161.75235	1.4
163.11136	2.1
163.14824	7.9
165.12891	1.5
167.08580	2.3
169.10164	11.6
170.10861	2.7
171.11696	18.8
172.12497	2.5
173.13239	23.4
175.14827	25.5
177.12766	3.6
177.16399	13.9
179.14360	2.6
181.10139	4.6
182.10942	2.2
183.11700	12.0
184.12433	1.5
185.13263	13.0
186.14075	1.9
187.14809	23.9
189.12747	2.5
189.16402	15.1
191.14346	2.0
191.18008	8.5
193.04947	7.8
193.10181	1.9
193.12210	1.9
194.05284	3.2
195.11597	7.0
197.13214	11.2
199.14787	24.3
200.15474	1.7
201.16383	38.5
203.17989	15.8
205.15845	6.8
205.19666	1.7
207.11737	2.5
207.17377	2.2
209.13263	5.3
210.14037	1.9
211.14880	6.0
213.16423	10.1
215.14505	2.3
215.17938	14.2
217.15877	11.8
217.19456	8.6
219.17404	8.7
221.13228	3.0
223.14787	6.4
224.15619	2.2
225.16409	8.4
227.17906	6.6
229.19460	8.4
231.17444	4.6
233.19133	3.4
235.14813	2.2
237.16440	3.8
239.17950	5.7
241.16542	1.2
241.19524	7.5
243.17456	1.6
243.21101	12.4
245.19090	4.2
245.22777	1.9
247.20638	1.9
249.16562	1.9
251.18005	6.4
253.19504	7.1
255.21181	3.6
257.18893	2.2
257.22531	2.9
259.20755	3.1
261.22159	4.9
263.17825	3.1
265.19672	7.0
267.21112	5.8
269.19138	2.5
269.22693	2.5
271.20428	3.3
273.22177	2.9
279.21051	2.4
281.22583	4.1
283.20609	6.7
285.22198	5.0
291.21271	1.4
293.22552	3.7
295.24304	4.0
297.22311	1.8
309.25653	1.8
311.23666	2.0
313.25461	2.3
313.29776	1.3
319.24176	1.9
321.25839	2.6
323.23627	1.6
325.25192	2.7
333.25772	2.8
337.25317	1.9
347.27356	3.6
350.52075	1.6
351.26645	2.2
361.28949	2.0
365.28644	1.8
379.30002	1.9
391.33554	3.3
403.33633	32.8
409.34656	2.8
421.34644	100.0
422.35098	3.8
439.14529	1.6
439.35767	61.2
440.36414	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	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05516	9.2
57.07085	3.5
64.39198	0.6
65.03968	0.8
65.60594	0.7
67.05504	8.6
69.07070	10.9
70.75070	1.2
70.75384	1.2
71.08626	0.8
79.05495	4.9
79.40926	0.8
81.06608	1.3
81.07062	18.3
83.08611	3.3
91.05478	8.6
93.07047	10.9
93.07622	0.6
95.04964	1.9
95.08612	16.5
97.10163	6.2
103.05403	0.6
105.07035	15.3
107.08596	38.1
109.06541	2.3
109.10160	13.1
111.08084	1.5
117.06976	1.5
119.08580	15.0
121.10148	14.4
123.08066	2.0
123.11705	18.0
125.09622	3.6
128.06227	0.8
129.06929	0.9
131.08569	8.1
133.06502	1.5
133.10129	23.0
135.08060	0.9
135.11688	6.7
137.09584	1.1
137.13251	5.3
142.07831	1.4
143.08531	4.0
144.09360	1.3
145.10132	8.7
147.08081	1.0
147.11696	6.6
149.13254	4.4
149.33832	0.7
151.11174	7.1
151.14798	1.9
151.66098	0.8
155.08533	1.0
156.09380	1.0
157.10106	4.9
158.10909	2.4
159.11705	11.5
161.13226	6.9
163.14853	3.3
169.10175	1.3
171.11702	5.5
173.13261	19.1
174.13994	2.2
175.14833	6.1
177.12697	0.8
177.16330	2.3
180.31119	0.7
181.10115	0.8
183.11699	3.0
185.13307	3.1
187.11230	1.3
187.14847	5.2
189.16383	2.2
197.13257	2.5
199.14809	2.5
201.16380	3.3
203.17905	1.0
209.13280	2.0
211.14905	1.9
213.16440	2.1
215.17952	2.3
217.15913	1.6
218.41533	0.7
225.16333	1.3
227.17883	1.2
229.19478	2.0
238.17216	1.0
239.17963	1.4
241.19637	1.3
243.17354	0.8
243.21155	2.0
245.18983	1.0
253.19456	1.0
255.21048	1.9
257.22424	0.8
259.20764	0.8
265.19534	0.9
267.20895	1.5
269.13586	1.4
269.18961	0.8
269.22607	1.1
271.24188	23.1
273.18665	1.1
276.85229	0.7
281.22568	0.9
285.22061	1.9
287.20053	4.7
291.21170	1.3
293.22897	0.8
299.23660	1.1
301.21701	2.6
305.22623	1.3
313.25116	1.2
323.23645	1.7
403.33496	4.2
404.33673	0.9
421.34647	12.9
424.53992	0.7
439.19928	2.3
439.35733	100.0
440.36246	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	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.05516	19.9
57.07080	16.1
63.41494	2.4
65.03931	3.1
65.58861	2.8
67.05509	33.0
69.07066	31.2
69.53549	17.7
71.08627	5.2
71.23727	2.4
75.26541	2.4
79.05499	21.4
81.07056	58.4
83.04998	2.7
83.08627	22.4
85.06529	3.3
90.92556	2.7
91.05470	25.9
93.07039	50.7
94.48916	2.6
95.04971	5.0
95.08610	78.8
97.06551	4.0
97.10149	4.6
105.07029	50.8
107.07899	6.1
107.08593	91.0
109.10160	57.7
111.08132	6.6
117.07028	7.4
119.08585	57.5
121.06541	5.0
121.10143	76.0
123.08076	6.3
123.11709	38.0
128.06219	5.7
129.07025	5.2
130.07796	4.0
131.08580	32.2
133.10121	42.1
135.08078	5.1
135.11690	32.4
137.13266	98.9
139.11163	8.5
142.07767	4.3
143.08606	16.0
145.10129	47.9
147.08015	3.6
147.11685	20.3
149.09651	4.6
149.13258	26.6
151.14789	5.4
155.08594	13.7
156.09375	4.1
157.10103	29.1
157.12192	3.2
159.11696	30.1
161.13239	27.0
162.91684	2.5
163.11256	2.7
163.14777	16.3
165.16377	4.1
167.08594	3.3
168.09294	3.1
169.10110	25.5
170.10970	2.6
171.11691	21.5
173.13246	19.5
175.14868	13.5
177.12735	3.0
177.16391	12.0
181.10170	4.8
182.10938	5.6
183.11690	23.6
185.13239	15.1
187.14827	9.7
189.16339	7.4
191.17923	13.6
195.11688	10.6
196.12466	3.9
197.13235	17.4
199.14894	6.4
201.16415	10.1
203.17935	16.7
209.13283	6.5
211.14818	11.8
213.16368	7.3
215.17923	9.6
217.19472	3.3
223.14803	4.6
224.15546	5.8
225.16310	16.5
227.18025	10.7
229.19460	5.4
231.21059	3.5
235.16916	6.5
236.15607	3.0
237.16505	4.6
239.17957	11.1
241.19481	4.9
243.17221	3.3
243.21376	3.4
251.17955	16.1
253.19591	16.4
257.18964	7.6
261.05527	3.6
265.19531	6.5
267.21063	14.7
269.18970	10.3
271.20605	14.1
271.24084	3.2
279.21246	3.5
281.22632	6.9
283.20499	6.5
285.22186	9.0
287.20035	6.6
293.22516	3.7
319.20264	3.5
333.25729	4.6
335.27179	3.1
351.26999	3.3
353.28171	3.3
361.29147	6.9
365.28223	2.9
379.29962	18.4
385.15012	3.2
397.31122	9.7
403.33456	24.5
421.29373	3.6
421.34723	68.3
439.35745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05495	13.9
57.07071	16.8
59.20961	3.2
65.03901	3.4
67.05512	16.4
69.07064	22.6
70.75350	7.6
79.05482	15.5
81.07050	42.4
83.08626	16.0
91.05492	20.3
93.07045	30.8
95.08604	66.1
97.10182	3.4
98.38394	3.5
105.07008	34.9
107.08595	60.7
109.10156	38.1
117.07023	5.5
119.08580	43.6
121.10143	59.0
123.08137	3.3
123.11679	20.9
131.08574	26.8
133.10118	22.1
135.11681	31.4
137.13252	95.7
139.11241	6.4
142.07802	4.7
143.08554	13.5
145.10115	33.0
147.08022	4.1
147.11644	19.1
149.13245	24.1
151.11217	3.9
155.08492	7.4
156.09216	3.9
157.10100	19.6
159.11700	26.0
161.13246	22.0
163.14841	11.7
165.16399	6.3
169.10130	17.3
170.10901	4.0
171.11638	18.5
173.13222	17.1
175.14809	11.3
177.16405	7.8
181.10228	3.8
183.11650	19.4
185.13260	14.4
187.14822	6.8
189.16418	7.8
191.17928	8.8
195.11751	8.2
197.13251	11.6
198.13971	3.6
199.14836	8.8
201.16380	5.9
203.17944	25.2
209.13246	8.2
211.14854	10.1
213.16383	5.3
215.18033	12.1
223.14786	7.9
225.16351	11.8
227.17914	9.1
229.19499	8.5
235.16939	5.9
239.17865	17.1
241.19464	5.6
243.17471	4.6
248.21295	3.5
251.17967	15.8
253.19559	14.3
257.19189	4.5
265.19553	6.2
267.21060	19.3
269.19144	7.1
271.20511	12.8
271.23843	4.3
279.20972	5.9
281.22595	10.0
285.22162	10.0
287.20026	6.5
293.22595	4.5
333.25742	5.8
358.84317	3.5
361.28860	6.6
379.25586	3.7
379.29770	18.7
397.31061	9.5
403.33374	22.5
406.81042	3.3
421.34634	72.1
439.35690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
52.45419	3.0
55.05504	9.5
57.07056	8.5
67.05491	14.3
69.07060	25.4
70.03243	14.9
71.05003	2.8
71.08643	2.9
79.05490	10.4
81.07063	30.4
83.04990	4.5
83.08591	8.9
83.74778	3.0
91.05486	11.6
93.07048	27.6
95.04974	5.0
95.08604	51.2
97.06540	8.9
97.10179	4.8
105.07022	23.7
107.08597	56.9
109.06522	4.2
109.10156	33.1
111.08089	4.3
119.08594	36.5
121.06505	4.9
121.10129	43.9
123.11698	24.5
131.08569	12.7
133.10133	36.7
135.08087	4.8
135.11710	15.5
137.09473	3.1
137.13268	38.4
139.11221	3.3
143.08578	10.7
145.10126	23.1
147.11684	13.8
149.09666	3.7
149.13271	14.3
151.11223	10.1
151.14841	5.1
155.08476	4.9
157.10144	13.1
159.08102	4.2
159.11688	24.5
161.13272	12.5
163.14853	10.0
166.78064	2.9
169.10136	14.6
171.11740	16.4
173.13264	12.1
175.14801	9.3
177.16411	8.2
179.14177	3.5
181.10222	3.7
183.11729	12.1
185.13280	13.0
187.14801	10.9
189.16478	7.1
190.60396	3.2
191.17912	3.6
193.15903	8.4
197.13240	12.0
199.14816	8.2
201.16347	9.0
207.11813	3.3
209.13278	5.6
211.14851	10.1
213.16423	7.4
215.17857	5.4
225.16219	4.9
227.17946	9.6
228.18694	6.2
229.19518	6.3
237.16296	4.3
239.17900	8.7
241.19487	6.4
245.19124	9.3
251.18141	4.6
253.19386	4.5
257.19064	4.4
259.20691	3.8
265.19656	4.2
267.21124	12.4
269.19107	3.3
271.20642	8.3
271.24191	13.6
281.22684	7.8
285.22147	7.0
335.27191	4.1
351.26736	4.0
403.33484	14.8
421.34637	55.8
439.35712	100.0
440.35870	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	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03935	1.8
55.01861	2.0
55.05507	16.8
56.96566	3.2
57.03426	1.8
57.07074	8.0
59.05003	3.0
65.03929	2.3
66.36275	1.6
67.05505	42.3
69.03432	2.7
69.07068	21.3
71.04985	2.9
71.34421	2.6
79.05487	16.4
81.03421	7.6
81.07055	39.1
82.07410	1.4
83.04967	3.3
83.08610	19.0
85.02908	3.8
85.06533	3.3
91.05470	17.5
93.07044	26.2
95.04974	8.5
95.08606	54.8
97.06556	5.0
97.10177	5.0
103.05461	1.9
105.07031	30.0
107.04940	3.7
107.08589	32.1
109.06529	4.4
109.10150	52.3
111.08075	4.2
111.11739	2.7
117.07040	4.8
119.04945	3.6
119.08579	41.0
121.06525	3.7
121.10141	51.6
123.08073	5.4
123.11691	15.5
125.09665	3.9
129.07030	4.5
131.08565	17.8
133.06474	5.0
133.10121	21.2
135.08064	5.4
135.11679	15.2
137.09616	2.8
137.13245	22.0
139.11159	6.8
141.06914	2.2
142.07750	2.8
143.08572	8.4
145.10114	19.9
147.08040	7.0
147.11702	16.3
149.02335	2.5
149.09648	5.5
149.13268	11.8
151.11215	1.7
151.14886	3.4
155.08575	5.7
157.10123	18.5
159.08038	6.3
159.11691	16.6
161.09662	3.5
161.13252	10.7
163.11183	3.2
163.14845	4.6
165.12756	3.8
167.10654	1.9
169.10165	10.2
171.11690	10.8
173.06100	1.5
173.09576	3.9
173.11751	4.6
173.13286	11.4
175.11160	2.9
175.14870	6.4
177.16409	5.4
180.09286	1.4
181.10135	3.2
183.11649	10.9
185.13243	8.1
187.11099	2.0
187.14890	6.7
189.12715	2.1
189.16364	2.9
191.14362	2.2
191.18047	3.3
193.05034	2.3
193.12230	6.8
194.05421	1.6
195.11638	2.8
197.13324	7.8
199.14861	5.6
201.16415	6.1
203.14362	1.6
203.17993	3.0
205.19556	4.1
207.11742	2.1
209.13374	4.4
209.15332	1.9
211.13310	5.4
211.14940	4.3
213.12692	1.7
213.16402	4.8
215.18015	2.9
217.15939	3.6
217.19565	2.8
221.13187	3.2
223.14890	2.2
225.16313	4.0
227.17964	6.4
229.07544	2.4
229.19551	2.4
231.17397	1.9
235.16991	5.7
236.15486	1.6
237.16382	2.6
239.17989	4.4
241.19501	4.3
243.17465	2.3
243.21104	3.0
245.19081	5.0
251.17912	7.5
255.17514	1.8
255.21083	1.9
257.18976	1.5
261.18466	7.7
265.19550	2.6
267.21109	6.0
269.13693	3.3
269.19122	5.1
269.22641	4.4
271.20624	4.5
271.24249	1.7
273.10205	2.5
273.18646	1.9
279.21161	1.7
281.22546	2.1
283.20828	2.3
285.22104	14.6
287.20026	7.9
289.21661	3.9
295.17462	1.8
299.23734	2.5
301.21710	2.6
309.25732	1.6
311.23639	1.6
313.21536	1.7
323.23834	2.5
327.23199	1.9
329.24643	2.2
333.26022	2.2
341.24759	1.7
379.18027	2.6
403.33554	13.3
421.29779	2.4
421.34656	35.7
439.27087	9.9
439.35770	100.0
440.27194	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	440.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.3
55.01872	0.8
56.05011	0.4
57.03426	0.8
59.78019	0.3
61.02922	0.6
69.03435	2.8
69.53848	2.0
70.06576	1.2
72.08129	0.3
73.02901	0.3
79.05476	0.4
81.03412	0.9
84.04509	0.4
84.08141	0.7
85.02905	5.1
86.09708	0.7
87.04467	0.5
94.06570	0.8
95.04980	0.3
96.69618	0.3
97.02869	1.6
99.04445	0.6
109.02895	0.4
110.06035	0.7
115.05358	0.3
115.61308	0.2
122.06013	2.7
123.04419	2.4
127.03925	0.9
128.06219	0.8
129.07002	0.3
129.10229	0.4
130.06523	0.7
135.04439	0.4
137.02315	0.4
140.07010	0.4
141.06956	0.4
143.04893	0.3
143.08565	1.7
145.04961	0.6
146.05977	0.3
152.07060	0.6
153.07016	0.3
158.09685	0.4
159.08092	0.3
160.05193	0.6
160.07573	0.8
161.05959	2.0
168.08067	1.1
169.06494	0.5
171.08067	1.4
172.07591	0.5
173.05957	0.6
175.07549	0.6
176.07076	3.6
177.04164	0.5
177.07898	1.8
178.04999	0.4
178.08525	0.3
181.06453	0.3
184.07610	0.3
186.09161	1.7
187.07526	1.2
188.06973	0.6
189.07712	0.6
189.09103	0.9
190.08488	0.3
196.07539	1.7
197.05969	0.3
198.05380	0.5
199.06262	1.0
200.07130	0.6
202.08591	0.4
203.09315	0.5
204.10175	0.8
212.06995	0.4
214.08615	3.7
215.07050	0.7
215.34187	0.4
216.06573	1.2
217.08702	0.5
218.08102	0.6
224.06920	1.4
227.05730	1.3
230.08131	2.0
231.08905	3.7
232.09706	3.3
242.08119	2.5
259.08282	0.4
260.09171	100.0
261.09604	1.5
302.10220	1.2
404.13290	0.3
422.14459	8.4
441.17441	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	440.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
54.67697	0.9
55.01879	1.1
55.05512	9.6
56.05025	3.0
56.96543	1.3
57.03427	2.9
66.93307	1.0
67.05507	21.3
68.05812	1.7
69.03407	2.0
69.06746	1.3
69.07073	18.5
70.85165	1.6
70.85522	1.9
71.04983	2.1
79.05035	1.0
79.05495	18.6
81.03407	3.4
81.07059	19.5
82.07379	1.3
83.04970	4.1
83.08614	3.2
84.04505	100.0
85.02897	2.8
85.04819	1.6
85.06560	1.2
87.53870	1.0
91.05468	15.1
93.06504	1.9
93.07043	23.7
95.04967	8.1
95.08606	12.9
97.06516	5.0
97.10159	3.3
99.08092	1.1
102.05540	20.0
105.07029	15.2
106.07357	1.2
107.04952	11.0
107.08598	9.8
108.08936	1.0
109.06500	2.6
109.10150	9.6
110.10465	2.8
111.08078	1.4
117.06974	4.7
119.08567	13.0
120.08142	1.8
120.08924	1.4
121.06532	2.0
121.10150	10.5
122.10495	1.2
123.11687	1.5
125.09612	1.1
129.07014	1.5
130.05002	61.6
131.08574	6.1
133.10118	9.5
135.08043	10.0
135.11729	2.2
136.08569	1.0
137.09583	2.8
139.11159	4.7
145.10130	4.2
147.10551	1.0
147.11662	5.2
148.06044	46.7
149.09612	2.4
149.13194	1.4
157.10068	1.0
159.11664	3.4
161.13263	1.9
163.11101	1.9
167.08461	1.2
167.10698	1.6
171.11684	1.0
173.09613	1.0
173.11807	1.6
173.13216	2.2
175.11221	1.7
177.12834	2.2
183.13733	1.6
185.13326	0.9
187.13316	1.2
187.14830	1.0
189.11195	1.2
189.16304	1.0
193.12170	2.1
203.12756	4.2
205.12071	1.1
211.13229	1.6
219.13881	1.2
237.14810	5.8
239.17877	1.3
247.20642	1.7
257.18884	3.1
275.20078	33.9
276.20221	1.1
293.21088	21.7
294.21509	1.1
394.25848	1.7
420.22653	0.9
440.26773	15.7
440.35516	3.4
441.27759	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	441.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	12.7
63.91536	0.4
69.64919	2.8
71.95227	0.3
74.97584	0.5
84.96033	5.3
86.97565	0.4
89.07452	0.4
91.66922	0.4
98.21502	0.6
98.97584	26.3
100.99140	0.4
110.97570	4.5
112.99140	2.1
116.98621	11.5
124.99117	4.7
128.97719	0.5
128.98616	6.2
131.00180	3.1
132.98090	0.4
133.42075	0.4
134.99678	2.0
139.00697	0.7
139.50789	0.4
140.98599	4.4
142.96481	0.7
143.00160	20.5
143.08479	0.4
144.98090	1.1
146.99667	3.0
149.01166	1.2
150.99132	0.6
155.00154	1.2
157.01712	0.7
158.99663	11.6
161.01225	14.7
162.99089	0.5
165.45284	0.4
169.52045	0.5
170.99654	1.0
173.01154	1.8
174.99202	0.8
177.00710	12.7
179.02295	1.3
182.99640	0.5
189.00655	1.3
191.02301	0.9
195.01796	2.0
201.00697	2.5
219.01736	8.2
220.53647	0.5
221.03499	0.5
230.03889	0.5
237.02812	77.0
238.03134	0.5
255.03876	100.0
257.04413	0.6
260.04395	1.1
265.02341	1.0
267.03876	0.4
273.04959	5.9
278.05508	1.2
279.03854	4.3
279.06628	0.6
283.03430	2.1
291.03897	6.0
292.55655	0.9
293.05499	0.6
297.05029	3.0
301.47638	0.5
303.03949	0.6
305.05417	0.9
309.04968	4.1
315.03757	3.5
317.05453	1.5
321.04929	3.2
333.04941	5.0
335.06503	1.3
339.05905	1.1
351.06088	2.0
363.06003	2.2
373.08359	0.6
373.58459	1.6
374.08151	1.4
381.07071	20.9
399.08115	32.3
400.08594	0.7
417.09070	0.7
422.10141	0.7
441.09192	19.5
441.14719	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	441.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23190	1.4
51.32849	1.5
56.87753	1.3
56.96566	12.6
60.04515	1.8
67.05492	1.9
70.06570	4.0
71.28896	3.0
79.05495	2.5
81.03396	2.2
84.04521	1.4
84.08138	3.4
84.96016	5.6
85.02911	2.8
86.09673	3.7
91.05506	7.2
95.01303	3.1
97.02875	2.1
97.96803	3.7
98.97574	30.1
105.06949	2.3
110.97588	8.0
114.27509	1.3
115.97805	1.7
116.98623	17.1
117.07024	3.0
121.06434	1.7
124.07600	1.6
128.98621	11.0
129.06934	3.7
129.10172	1.9
131.04955	2.8
131.08592	1.4
133.41814	1.6
133.58025	1.4
134.99644	5.0
143.00136	2.9
145.06487	2.2
146.99667	9.6
147.08038	3.0
157.06438	2.6
158.99651	5.8
161.01183	5.7
170.99651	5.0
175.07603	1.6
177.00710	10.5
183.03238	2.1
185.05942	2.5
189.00633	4.4
189.05452	2.5
190.62672	1.6
198.46935	1.6
201.00656	2.1
207.03279	11.3
210.07683	3.3
219.01746	10.2
225.04387	4.7
229.04919	2.5
237.02777	26.5
247.06148	1.9
255.03827	3.4
260.04300	1.9
279.13406	2.4
280.11652	2.6
309.06427	13.5
327.07504	63.0
328.07761	1.6
335.09677	2.4
350.09036	1.5
361.08917	3.6
377.08585	2.6
441.11401	100.0
442.11349	1.9
459.11679	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	441.246
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
55.05498	0.3
66.78284	0.3
69.35493	2.5
70.06586	0.3
80.50604	0.3
81.03384	0.4
81.07055	0.4
83.04967	0.3
86.18779	0.2
91.05476	0.5
93.07058	0.5
93.62080	0.2
95.04948	0.4
95.08627	0.5
97.06532	0.5
107.08588	0.7
117.54201	0.3
119.08529	0.3
119.59109	0.3
128.10692	0.6
133.10159	0.3
142.08748	0.3
145.59743	0.3
151.11429	0.3
157.10104	0.3
169.66614	0.3
173.41855	0.3
185.48390	0.3
201.03702	7.0
203.05247	7.4
207.11594	0.3
236.56911	0.3
256.76035	0.3
257.73019	0.3
261.18301	3.2
263.19809	10.2
264.20087	0.3
270.46133	0.3
292.85223	0.3
321.18491	0.3
395.66046	0.3
441.24615	100.0
442.24991	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	441.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11950	1.0
53.03926	1.6
55.05510	10.6
56.96559	1.2
57.03437	2.6
57.07077	7.2
59.04982	1.5
65.03954	1.1
66.89503	1.1
67.05505	17.1
69.03428	1.8
69.07065	20.1
71.05005	2.6
71.08632	12.6
71.50098	2.2
79.05496	11.0
81.07058	24.4
83.04977	3.4
83.08624	9.2
85.06522	3.7
91.05473	7.5
93.07040	16.9
95.04966	3.2
95.08611	25.3
96.08943	1.5
97.06510	4.5
97.10163	2.5
99.04471	1.4
99.08077	10.5
105.07021	9.7
107.08587	18.6
109.06511	9.4
109.10142	14.3
111.04372	1.2
111.08076	4.3
117.07011	1.9
119.08582	14.3
121.06545	1.7
121.10144	15.2
123.08070	35.4
123.11687	5.1
125.06036	2.1
125.09628	2.0
129.07050	1.6
131.08566	4.8
133.10114	13.1
135.08066	6.9
135.11693	7.2
136.08774	1.1
137.09613	4.2
137.13263	2.4
143.08543	1.5
145.10088	6.4
147.11716	5.4
149.09645	4.0
149.13283	5.5
151.11157	1.9
151.14644	1.3
153.12740	4.8
157.10149	2.2
159.11726	6.9
161.09688	1.6
161.13226	3.6
163.11177	1.8
163.14806	3.7
165.12785	2.5
171.11642	1.6
173.09615	1.4
173.13280	4.1
175.14847	3.0
177.12747	2.8
177.16393	1.4
179.14302	46.2
179.15883	2.4
180.14714	1.3
181.12225	1.1
185.13184	2.2
187.14902	2.0
189.16396	3.2
191.14281	4.3
191.17897	3.2
193.15919	3.2
199.14919	1.3
201.16342	2.1
203.05922	1.4
203.18044	1.5
205.15884	3.3
217.19498	1.3
233.19078	1.6
251.20070	9.2
269.13565	6.6
275.19952	1.9
293.21109	10.3
293.28455	2.3
303.26801	14.2
313.25510	2.4
321.27756	2.8
331.26318	50.3
332.26660	1.7
349.27374	55.5
405.30020	6.2
419.14703	1.6
423.31055	100.0
424.31638	5.3
433.53107	1.3
441.33478	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	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.05238	1.3
55.05512	8.7
57.03449	2.2
57.07069	4.7
60.97962	1.4
61.96481	1.7
67.05512	15.4
69.07076	16.8
69.92941	8.0
71.08616	3.1
73.65648	1.4
78.27602	1.3
79.05506	9.7
81.07056	36.0
81.88331	1.5
83.08620	8.4
85.06538	3.6
91.05478	12.0
93.07048	28.9
95.07994	3.2
95.08611	60.6
96.08921	1.7
97.06537	3.1
97.10178	6.6
99.08088	2.4
105.07041	16.4
105.74044	1.4
106.07386	1.7
107.08594	42.9
109.06526	4.9
109.10161	39.1
110.10525	2.5
110.76535	1.7
111.08092	3.5
111.11741	2.1
119.08595	27.1
121.10142	40.8
121.10960	2.9
122.10415	1.6
123.08075	4.6
123.11705	17.8
125.09651	3.3
131.08594	6.9
133.10133	63.0
134.10451	1.5
135.08090	3.1
135.11700	28.9
137.09653	3.4
137.13281	7.9
139.11212	2.7
139.41716	1.5
143.08572	2.4
145.10110	12.6
147.11691	20.5
149.09659	7.0
149.13278	17.2
151.11195	4.9
151.14819	1.9
157.10103	3.6
159.11696	19.8
161.13264	16.4
163.11179	3.3
163.14854	9.4
171.11697	4.3
173.13292	13.4
174.13728	1.9
175.14830	10.1
177.12769	3.2
177.16429	7.0
179.14473	2.1
185.13269	4.4
187.14822	12.9
189.16338	10.7
191.14285	3.4
191.17955	15.0
197.13326	1.9
199.14780	4.1
201.16374	15.3
203.18007	14.1
205.16025	5.0
205.19579	4.4
207.17474	3.9
213.16495	3.6
215.17903	13.2
217.19530	5.5
219.17509	5.1
219.21034	1.9
221.18985	2.2
227.18050	2.6
229.19617	1.8
231.21121	2.1
233.19009	9.3
235.16991	1.7
243.21173	3.8
245.18962	1.7
247.20601	2.1
249.18542	6.0
261.02853	1.8
261.22220	3.2
275.23883	2.0
289.21561	2.1
301.25415	2.2
343.29950	3.6
405.35114	7.3
423.36282	30.7
441.37329	100.0
442.37830	5.5
454.73840	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03939	5.4
55.05511	22.6
56.96571	4.5
57.07067	10.1
67.05506	30.3
69.03418	4.6
69.07063	33.9
70.00137	17.6
71.05006	5.5
79.05492	28.1
81.07062	60.0
83.05001	4.3
83.08609	22.8
91.05489	23.4
93.07046	53.9
95.04958	7.6
95.08606	100.0
97.06495	6.1
97.10175	10.8
105.07038	42.5
107.08592	87.2
108.48399	3.4
109.06511	6.7
109.10158	62.2
111.08080	13.7
111.11689	5.7
117.07032	9.1
119.08575	59.1
120.09005	2.8
121.09348	5.7
121.10145	64.8
123.08050	5.1
123.11702	36.4
125.09599	4.5
131.08511	16.8
133.10110	46.6
135.11699	49.4
137.09633	4.6
137.13272	23.9
139.11136	5.3
139.93851	2.9
143.08546	10.9
145.10126	32.3
147.11670	33.9
149.09586	3.5
149.13280	34.5
151.11252	5.5
151.14792	7.0
155.08612	4.9
156.09198	3.6
157.10133	16.1
159.11668	23.5
161.09419	3.6
161.13274	24.8
163.11163	4.9
163.14809	15.5
165.12773	5.7
169.10153	4.4
171.11713	8.8
173.13284	15.5
175.11203	4.9
175.14842	19.2
177.16389	14.3
179.14319	9.5
183.11742	6.8
185.13319	12.5
187.14793	19.3
189.16360	21.8
191.14452	3.9
191.17911	22.8
193.16039	4.9
199.14880	11.1
201.16325	15.9
203.14311	4.7
203.17923	16.0
205.15889	8.1
205.19635	4.5
207.17516	3.4
211.14835	5.6
213.16420	8.7
215.17973	10.2
217.15826	4.3
217.19539	13.5
219.15616	4.0
219.17458	24.3
227.17914	11.0
229.19653	8.4
241.19467	7.5
253.19427	5.9
255.20998	8.4
259.20486	4.0
267.20999	4.4
269.22531	7.7
271.20734	6.0
273.22076	5.2
273.25769	5.9
285.22220	5.3
287.23752	6.5
301.25269	3.5
349.27362	4.0
405.35330	23.0
423.31235	7.2
423.36279	63.8
424.36633	5.2
441.27887	6.2
441.37524	78.8
442.37674	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	441.3729
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
53.34663	2.4
55.05511	20.6
57.07082	11.7
65.49728	2.5
65.68504	2.5
67.05501	33.7
69.07069	41.1
70.56911	8.5
71.05010	3.3
71.08639	3.3
79.05502	23.1
81.07058	66.0
83.04995	4.1
83.08614	13.7
91.05485	32.0
93.07040	50.6
93.07582	3.8
95.04974	5.7
95.08003	6.1
95.08609	99.0
96.86192	2.1
97.06541	5.1
97.10171	12.7
97.16619	2.2
105.07039	68.7
107.08588	85.5
108.08932	2.8
109.06541	3.3
109.10153	78.1
111.08108	8.9
111.11731	5.8
117.07027	11.9
119.08584	82.4
120.08948	3.5
121.10151	66.3
123.08114	7.4
123.11707	35.5
125.09674	6.3
129.07004	3.4
131.08553	29.5
133.10136	72.2
133.11119	4.3
135.08061	4.3
135.11688	48.6
137.13222	12.5
143.08572	10.2
144.09384	3.5
145.10118	43.6
145.11172	3.1
147.11676	46.9
147.12785	2.6
149.13271	32.3
151.11206	5.9
151.14870	2.7
157.10161	11.7
159.11691	47.9
161.13252	34.0
163.11205	2.9
163.14822	28.6
165.12857	4.0
165.90074	2.7
169.10149	2.7
171.11775	10.5
173.13260	28.1
175.14818	36.8
175.16087	2.7
177.12881	3.7
177.16399	23.0
179.14264	11.6
185.13359	7.4
187.14812	28.8
189.09131	2.6
189.16374	41.9
191.14375	3.5
191.17949	28.6
193.15936	11.0
199.14810	6.2
201.16377	28.7
203.14825	3.2
203.17957	62.0
203.19778	3.4
204.18359	3.5
205.15952	6.8
205.19569	7.8
207.17474	19.6
213.16422	6.0
214.17232	2.8
215.17953	52.8
217.16023	3.8
217.19489	16.4
219.17455	19.4
221.18951	16.9
227.17928	5.2
229.19669	16.3
231.17488	4.7
231.21216	7.1
233.19014	67.9
235.17041	3.2
241.19701	6.9
243.21172	11.1
245.19191	3.3
245.22537	3.4
247.20601	15.0
253.19682	2.7
255.21100	12.2
257.22714	4.5
269.22711	6.4
271.20639	3.1
271.24149	3.9
273.22171	16.2
273.25815	2.3
281.22739	3.5
283.24258	3.0
285.22141	2.9
287.23669	3.2
313.25314	4.0
373.09833	2.4
392.77121	2.6
393.35400	3.8
395.36957	3.0
405.35266	16.5
411.36447	6.6
423.30942	5.7
423.36240	59.3
424.36777	6.1
441.24066	3.5
441.37439	100.0
442.38037	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.61085	1.1
55.05509	4.6
58.48936	0.9
60.14042	0.9
62.80117	0.8
67.05508	25.8
68.05164	0.9
69.07076	12.2
69.92704	4.1
79.05500	11.8
81.06603	2.0
81.07059	26.9
83.08607	4.3
91.05481	7.3
93.07051	15.8
95.04977	1.0
95.08609	31.3
97.10165	2.2
98.20829	1.3
105.07028	17.3
107.08598	37.2
109.06515	1.6
109.10159	100.0
111.08064	1.1
111.11718	1.9
111.42557	0.9
117.07008	2.1
117.61076	0.9
119.08581	19.3
119.58114	0.9
121.10147	19.6
123.08057	1.4
123.11721	9.7
129.06972	1.1
131.08568	5.6
133.10126	19.2
135.08038	1.9
135.11711	13.1
137.13229	1.7
143.08540	2.3
143.71547	1.0
145.10121	8.5
147.11697	13.2
149.13257	7.1
157.10144	1.6
159.11707	9.6
161.13268	11.8
163.11288	1.6
163.14851	5.0
171.11688	2.6
173.13237	3.3
175.14799	6.6
177.12883	1.2
177.16359	5.1
185.13269	1.6
187.14807	5.3
189.16354	6.1
191.17946	5.4
199.14775	1.8
201.16351	5.4
203.17961	12.8
205.15874	9.4
205.19479	1.4
206.60046	1.2
207.17326	1.2
210.72717	0.9
213.16417	2.9
215.17943	4.4
217.19525	29.1
219.17372	2.4
219.21101	1.3
223.16904	4.3
231.17453	2.4
233.19073	1.0
241.19543	1.5
245.22668	1.1
249.18417	2.5
257.22537	0.9
271.24249	1.3
285.22198	1.4
285.25696	1.9
289.21664	1.3
405.35123	4.4
423.36288	12.7
426.85672	1.0
441.37479	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03938	2.7
55.01886	1.7
55.05507	14.4
57.03429	2.4
57.07069	7.6
59.05003	3.0
65.03957	1.5
67.05498	20.2
69.03397	1.6
69.07063	24.2
69.38165	9.0
69.38577	2.8
71.04977	1.8
71.08627	1.3
71.45658	1.1
71.81759	1.3
72.28390	1.2
79.05486	13.5
79.14238	1.7
81.07053	41.2
83.04953	1.7
83.08614	11.0
85.06535	1.2
91.05472	16.8
93.07041	53.6
95.04974	3.4
95.08601	73.3
96.08836	1.2
96.54531	1.1
97.06528	6.4
97.10172	5.2
99.08110	2.3
105.07018	35.7
107.08588	73.7
108.08881	1.8
109.06509	3.1
109.10153	43.2
109.10859	2.7
111.08056	5.8
111.11736	2.7
113.09659	1.2
117.07040	6.0
119.08570	42.7
121.06463	1.4
121.10140	71.0
122.10543	1.2
123.08124	3.2
123.11698	22.9
125.09631	3.8
125.13303	1.3
127.11165	1.5
129.06978	1.5
131.08589	10.5
133.10121	39.2
135.08009	1.4
135.11685	42.8
137.09601	1.3
137.13239	9.0
138.05511	1.4
139.11142	2.4
143.08553	6.4
143.10783	1.4
145.10112	22.0
147.11673	33.6
149.09627	2.5
149.13258	70.4
150.13683	1.7
151.11179	2.2
151.14886	1.6
157.10097	8.2
158.10764	1.5
159.11693	28.2
161.13254	19.0
163.11185	4.2
163.14813	8.9
165.12732	1.8
167.14249	3.0
169.10216	1.3
171.11668	9.1
173.13284	12.4
175.14853	10.5
177.12703	1.5
177.16364	12.2
183.11746	1.9
184.12448	1.3
185.13257	11.4
187.14803	15.8
189.16365	15.5
191.14272	1.6
191.17935	23.5
195.17427	2.1
197.13283	2.7
199.14828	6.8
201.16365	29.6
203.16058	3.0
203.17944	54.5
204.18317	1.9
205.15871	7.2
205.19545	4.6
211.14857	2.6
213.16412	10.7
215.17931	16.3
217.15840	5.8
217.19437	8.1
219.13899	1.4
219.17482	1.9
223.16876	7.3
225.16431	1.9
227.17912	7.7
229.19490	4.4
231.17484	2.1
233.18994	17.8
239.17987	3.0
241.19580	3.9
243.21136	2.1
245.18991	1.9
251.20064	15.4
255.21179	2.3
261.21826	1.4
269.22791	1.5
279.23212	2.6
283.24182	10.0
287.23880	1.4
337.28790	1.4
363.30399	1.5
381.31534	1.5
405.35217	4.1
423.36240	100.0
424.36560	5.0
441.37766	27.2
461.40387	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	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05512	11.3
56.23296	1.6
57.07070	4.6
61.54599	1.5
67.05499	16.5
69.06689	2.5
69.07064	33.0
69.52554	8.7
69.52963	3.1
71.08623	3.2
79.05483	8.3
81.07051	27.7
83.05006	1.6
83.08608	12.0
90.41649	1.5
91.05486	7.9
93.07042	16.7
95.04971	1.7
95.08607	45.6
97.06478	1.8
97.10183	4.8
105.07021	20.1
107.08587	29.4
109.06484	2.6
109.10156	51.3
111.08058	2.1
111.11675	2.9
117.06998	2.2
119.08579	26.7
119.09391	2.6
121.10141	32.1
123.08076	2.1
123.11705	21.4
131.08553	10.4
133.10127	26.4
135.11685	18.0
137.13263	6.0
139.11151	1.5
143.08578	3.6
145.10114	13.0
147.11678	17.7
149.13268	9.6
151.11227	2.4
151.14847	5.0
156.09364	2.0
157.10143	7.3
159.11682	17.7
161.13248	11.9
163.11330	2.1
163.14825	9.5
165.16397	3.8
169.10127	2.0
171.11716	6.3
173.13261	14.3
175.14871	8.4
177.12671	1.8
177.16365	5.4
179.14307	1.5
179.17892	1.7
183.11708	2.8
185.13301	5.8
187.14763	8.3
189.16409	3.8
191.14192	1.6
191.17999	6.3
195.13834	1.8
197.13182	3.8
199.14828	3.6
201.16431	8.4
202.26770	1.6
203.17986	7.8
205.19708	1.6
211.14847	3.3
213.16397	4.6
215.18024	5.0
217.19572	2.6
225.16365	2.6
227.17940	5.2
229.19518	5.3
231.21199	2.1
239.17929	3.8
241.19568	2.0
243.21007	2.5
245.19133	2.9
245.22815	1.6
253.19545	3.4
253.33118	1.7
257.19070	4.3
259.24313	3.8
263.20163	4.1
271.20618	5.3
271.24231	8.1
273.25720	3.7
275.20074	5.3
277.21603	2.6
285.22461	2.5
285.25723	37.0
289.21658	7.1
303.23288	4.4
313.25079	1.7
329.24802	3.4
405.35141	9.2
423.36264	18.3
441.37326	100.0
442.37637	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.26261	5.1
55.05518	14.0
57.07059	8.7
58.34490	5.2
67.05495	30.5
69.07079	27.7
69.22121	5.6
71.49361	5.9
71.49812	8.9
79.05513	9.9
81.07062	57.8
83.08617	13.0
87.04450	8.6
91.05450	8.6
93.07050	24.4
95.08606	100.0
97.10184	8.0
103.42612	5.2
105.07034	22.8
107.08585	45.7
109.10149	79.3
111.11753	11.5
117.07043	6.1
119.08600	46.9
121.06516	9.3
121.10152	47.1
123.11699	28.2
131.08594	9.5
133.10124	33.2
134.49565	5.3
135.11722	29.5
137.13251	19.5
142.40485	6.4
145.10085	16.9
147.11681	19.9
149.09630	7.5
149.13272	19.3
157.10136	7.5
159.11758	20.3
161.13242	10.2
163.14769	14.7
173.13281	18.0
175.14832	13.3
177.16415	12.0
185.13347	5.6
187.14807	11.8
189.16301	14.2
190.19545	6.0
191.18018	31.0
199.14847	8.6
201.16434	10.2
203.17963	15.8
205.15831	9.8
205.19514	14.2
213.16376	10.6
215.17987	11.0
216.90755	5.4
217.19449	10.0
229.19356	5.7
231.17557	7.8
231.21117	10.7
235.16951	13.5
236.30467	6.2
245.22655	6.5
343.77597	8.5
405.35229	53.1
405.39914	9.8
423.36148	38.2
441.32486	5.6
441.37369	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	441.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01871	3.4
55.05510	23.0
56.96552	4.1
57.03438	2.4
57.07062	6.7
58.06137	1.9
59.04985	2.4
64.17011	1.7
65.03926	2.5
66.68266	1.8
67.05507	51.4
69.03425	2.6
69.07074	40.7
70.06565	3.6
70.79961	1.9
71.04993	4.9
71.08633	2.0
71.49345	2.8
71.49751	2.3
72.08135	2.5
79.05496	32.9
81.03410	3.1
81.07056	68.3
82.07413	2.2
83.04993	4.9
83.08233	1.9
83.08625	17.1
85.02895	3.9
85.06520	3.6
86.09724	2.3
91.05476	24.7
93.07049	53.3
95.04975	8.5
95.08614	80.5
97.06534	25.2
97.10164	9.2
98.97585	3.7
103.05424	3.3
105.07033	55.8
107.04947	4.7
107.06983	2.2
107.08593	71.4
109.06504	6.3
109.10159	100.0
111.04440	3.0
111.08076	6.7
113.52429	2.1
115.05466	2.5
116.98531	2.1
117.07004	8.9
119.04933	2.6
119.08590	48.9
121.06499	8.4
121.10146	62.4
122.10490	3.2
123.08051	6.6
123.11704	29.7
125.09660	5.0
128.06250	2.7
129.06967	3.5
129.59755	2.1
131.04964	2.7
131.08569	12.7
133.10136	42.7
135.08054	10.2
135.11700	40.0
137.09598	6.6
137.13290	11.8
139.03839	2.7
141.06876	2.9
143.08562	5.3
145.06490	8.6
145.10133	23.1
147.08054	6.1
147.11694	35.2
149.09601	6.3
149.13251	30.2
151.07512	3.2
151.11197	3.0
151.14874	2.4
155.08551	4.5
157.10121	9.0
159.08121	3.6
159.11693	28.7
161.09607	4.7
161.13266	35.2
163.07481	2.3
163.11139	7.7
163.14835	18.1
165.09100	4.5
169.10110	4.1
171.11650	3.5
173.06023	2.3
173.09714	2.3
173.13232	12.8
175.11153	3.1
175.14865	14.4
177.12720	6.3
177.16380	14.0
183.11575	2.6
185.09692	3.4
185.13277	5.5
187.11217	4.7
187.14851	10.7
189.16388	18.2
191.14253	3.4
191.17902	13.0
195.13895	2.5
197.13286	5.0
199.07532	3.7
199.14827	5.4
201.09087	5.9
201.16396	9.8
203.14343	2.2
203.17931	20.9
205.15868	25.6
205.19530	3.2
207.17484	2.9
209.13272	2.3
211.07611	2.4
211.14795	2.3
213.16458	3.6
215.17943	7.8
217.16087	2.3
217.19521	52.6
219.17387	3.9
223.16937	9.1
229.15907	2.5
231.21065	2.8
233.92805	2.2
243.21141	2.6
245.22539	2.5
247.13309	2.1
267.09100	3.3
271.24124	2.2
281.15140	2.5
367.22842	4.6
377.16800	2.4
405.35391	4.3
409.19537	6.5
423.36646	21.0
441.25833	10.7
441.37268	28.1
442.25781	2.9
442.37952	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	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03947	5.0
55.05511	30.4
56.96554	12.8
57.07070	5.9
67.05508	39.5
69.03433	3.9
69.07069	38.8
71.49798	5.0
79.05492	29.9
80.29013	2.6
81.07054	73.5
81.07537	3.6
83.04990	4.2
83.08616	22.0
85.02904	3.0
91.05473	25.6
93.07041	61.0
95.04967	4.6
95.08605	98.5
97.06516	7.4
97.10155	14.3
99.23047	2.6
105.07034	58.9
107.08593	98.5
108.86421	3.2
109.06538	2.9
109.10160	100.0
111.08086	6.0
111.11719	5.7
111.87912	3.2
116.98639	5.5
117.07011	9.2
119.08587	69.6
121.06458	5.9
121.10142	85.2
123.08085	6.8
123.11699	35.1
125.09631	8.9
129.07042	5.8
131.08537	13.4
133.10126	55.2
135.08054	7.9
135.11694	58.2
137.09587	6.2
137.13235	12.5
138.41452	2.8
143.08583	8.2
145.10127	25.4
147.08173	3.3
147.11673	44.6
149.09641	7.2
149.13254	34.8
151.11180	4.5
151.14766	6.5
157.10100	5.7
159.11702	49.6
161.09590	3.8
161.13255	40.5
163.11217	9.3
163.14804	25.5
171.11652	6.3
173.13268	14.3
175.14793	19.1
177.12753	5.4
177.16354	18.6
179.14288	3.6
185.13226	6.7
187.14790	17.9
189.12732	3.5
189.16386	18.7
191.14268	5.1
191.17976	21.0
195.13882	5.5
197.13333	4.3
199.14813	6.5
201.16469	13.2
203.14433	2.8
203.17924	35.6
205.15877	39.4
205.19490	8.0
207.17465	6.2
213.16385	4.5
215.17924	11.6
217.19499	73.1
219.17450	4.8
223.16902	10.6
227.18158	3.3
271.13937	4.4
273.10327	2.9
285.25851	3.6
349.27325	4.2
363.04767	2.9
405.35355	5.5
411.35730	3.3
423.31931	3.5
423.36380	39.6
441.19101	6.8
441.25000	4.1
441.37732	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	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.29857	1.8
51.55764	1.7
53.03935	2.5
55.05515	15.4
57.03415	2.6
57.07067	4.7
67.05150	2.1
67.05504	40.5
69.07072	25.3
71.04980	3.0
71.34556	2.7
73.21190	1.7
79.05486	16.1
81.06606	3.2
81.07054	44.8
83.04976	3.0
83.08617	10.5
91.05478	17.4
93.07040	28.0
95.04964	5.2
95.08598	46.6
97.06502	2.4
97.10136	5.9
105.07027	36.5
107.08582	44.1
109.10152	100.0
109.73954	2.0
111.08115	3.4
117.07009	4.7
119.08575	38.1
121.06450	2.9
121.10133	43.4
123.08057	4.7
123.11696	17.8
124.95393	1.6
129.07002	1.7
131.08553	10.3
133.10126	30.6
135.11679	22.9
135.53526	2.0
137.13229	8.0
143.08534	4.1
145.10120	13.8
147.11687	24.9
149.09573	4.8
149.13269	15.7
151.11191	3.5
157.10075	4.8
159.11697	16.7
160.11984	2.2
161.13254	26.2
162.12357	1.9
162.13681	2.0
163.11232	3.7
163.14839	6.5
169.10146	2.3
171.11615	5.7
173.13258	7.7
175.11244	2.1
175.14816	10.6
177.16371	8.4
179.14284	2.7
183.11589	3.2
185.13243	4.8
187.14812	9.2
189.16336	9.0
191.17940	11.3
199.14888	3.0
201.16406	10.0
203.17915	23.4
205.15852	11.4
205.19502	7.0
207.17488	2.0
213.16428	6.2
215.17963	4.6
217.15910	1.9
217.19518	24.6
219.17357	5.1
223.16913	4.8
229.19481	3.8
231.17288	2.9
245.19043	2.8
249.18478	2.3
257.22519	2.7
271.24173	2.9
285.25729	4.0
310.71234	2.0
331.26202	3.5
405.35236	5.4
423.31729	2.4
423.36285	12.9
441.25549	2.4
441.37515	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23855	0.4
51.45686	0.4
54.03467	2.9
55.04246	3.1
61.02916	0.7
69.03435	2.0
71.00526	0.4
71.24615	0.5
80.05012	0.9
81.04543	20.5
82.04868	0.7
82.05318	8.4
85.02893	2.6
87.04435	0.6
97.02895	1.3
97.07627	0.4
97.63009	0.3
108.05592	1.0
109.02826	0.5
110.07187	0.5
114.03757	0.4
122.07151	100.0
123.07933	94.8
127.04015	0.5
142.03218	0.6
144.04778	1.0
160.04277	2.4
164.08205	0.7
165.07736	3.7
172.04312	1.6
235.10426	0.6
281.10678	53.5
282.10989	1.5
323.11716	0.8
443.15958	66.5
444.16193	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	443.3885
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
50.47034	2.0
53.03938	2.5
53.83094	2.0
55.05511	17.8
57.07058	6.3
67.05505	35.6
67.83271	2.1
69.03420	2.2
69.07071	24.6
69.44604	10.7
69.45031	7.7
71.04999	3.1
71.08620	3.0
79.05491	17.4
81.06609	3.4
81.07059	57.8
83.08624	13.7
85.02912	2.8
91.05473	14.3
93.07043	42.6
95.04959	2.8
95.08002	5.7
95.08606	100.0
95.42529	2.0
97.06511	4.8
97.10165	6.8
98.21511	4.4
99.08087	5.6
105.07037	25.2
107.08591	69.7
107.09324	3.3
109.06505	3.9
109.10156	85.9
110.10532	2.6
111.08070	4.0
111.11781	2.5
118.84549	2.0
119.08576	40.5
121.10144	53.2
123.08087	2.4
123.11704	29.6
125.09634	5.1
131.08578	5.6
133.10129	29.6
135.10728	3.3
135.11688	43.0
137.13274	11.8
143.08650	2.7
145.10129	9.9
147.11690	29.1
149.13255	20.7
151.14799	2.5
158.61063	2.3
159.11696	12.0
160.58438	2.2
161.09630	2.1
161.13266	24.7
163.14810	31.2
165.09169	4.2
165.12729	5.6
173.13245	9.0
175.14856	15.0
177.16399	10.2
179.14343	11.7
179.18005	3.1
187.14810	7.0
189.00774	2.5
189.16408	20.9
191.17967	37.8
201.16302	10.4
203.17944	22.7
205.15874	3.2
205.19518	5.2
207.17395	6.9
215.17908	4.5
217.19553	20.6
219.17578	3.1
219.21004	2.4
221.18983	7.7
229.19630	4.1
233.18993	3.4
235.20520	7.1
261.22226	2.5
269.12482	3.5
299.27148	3.0
301.24567	2.4
315.26685	3.3
407.36581	6.4
424.54834	2.7
425.37897	33.9
443.39352	50.4
444.40173	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	443.3882
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03944	3.2
55.05500	15.0
57.07065	7.2
65.55531	2.3
65.74403	2.5
67.05501	26.9
67.60435	2.2
69.07066	27.2
70.06593	2.3
70.83897	4.6
70.84235	3.7
71.08619	4.4
79.05491	20.2
81.03423	2.9
81.06604	4.3
81.07056	57.9
83.08639	11.7
85.06542	2.6
91.05482	10.9
93.07037	40.0
95.04982	5.0
95.08609	100.0
97.06509	2.8
97.10167	10.3
99.08115	6.2
105.07014	26.3
107.04940	2.5
107.08583	66.1
109.06517	4.1
109.10155	87.0
111.08058	6.1
111.11729	6.3
117.07034	2.9
119.08588	37.4
121.10139	53.7
123.08080	5.0
123.11702	30.0
125.09629	5.1
131.08575	6.3
133.10126	32.4
135.11681	47.7
137.09639	3.0
137.13266	12.4
145.10110	12.1
147.11710	24.2
149.13266	24.0
151.11157	4.0
157.10089	2.8
159.11687	13.7
161.13246	27.3
162.03084	3.0
163.14801	26.7
165.09152	6.4
165.12717	3.0
173.13280	7.3
175.14796	13.0
177.16446	11.9
179.14270	10.8
185.13275	2.4
187.14807	9.8
189.16376	20.7
191.17937	34.9
201.16370	7.1
203.17931	28.1
205.19499	4.2
207.17316	11.3
215.18001	6.9
217.19507	21.0
219.17552	4.9
221.18945	5.8
233.18932	3.9
235.20531	3.7
245.22726	3.4
269.12372	2.9
320.67758	3.1
321.17657	3.1
373.30847	2.8
407.36725	6.2
425.37906	37.0
443.39221	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	443.3886
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05516	17.9
57.07066	10.2
65.03947	3.0
67.05505	31.0
69.03425	4.1
69.07069	26.5
71.04967	3.0
71.08617	7.1
71.11107	7.5
79.05486	20.4
81.07060	62.7
83.08614	15.5
91.05471	12.3
93.07042	53.9
95.04935	3.5
95.08606	100.0
97.06509	9.5
97.10161	10.7
99.08106	3.8
105.07031	24.9
107.08583	67.9
109.02864	3.0
109.06490	4.5
109.10152	72.4
111.11736	5.1
117.06966	3.9
119.08566	32.1
121.10138	71.2
123.08073	5.9
123.11699	37.9
124.12038	3.4
125.09610	5.4
131.08615	7.3
133.10121	27.4
135.08020	5.0
135.11702	46.0
137.13231	11.0
145.10123	16.3
147.11691	29.7
149.13260	40.5
151.11102	3.7
151.14822	5.0
156.48082	2.6
159.11659	22.1
161.13260	23.5
163.14818	31.7
171.11720	2.9
173.13242	10.3
175.14839	11.2
177.16367	11.0
185.13263	5.1
187.14793	4.5
189.16420	16.7
191.17950	60.8
201.16415	13.0
203.17964	21.0
205.19521	12.7
215.17941	8.5
217.15909	3.1
217.19481	19.2
219.21120	7.0
229.19537	3.8
231.20995	3.0
233.19051	4.4
235.20573	3.4
250.61020	3.0
269.12140	4.2
407.36673	8.4
425.37946	40.5
443.33459	5.9
443.38666	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	444.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01852	0.3
55.80007	0.2
56.96573	0.2
57.03427	0.3
59.04998	0.4
61.02903	0.3
69.03098	0.3
69.03434	2.9
70.06586	0.3
70.10146	0.3
70.10537	0.5
71.04985	0.6
73.17624	0.2
81.03416	0.5
81.04523	0.3
84.08116	0.2
84.13334	0.2
85.02901	2.2
85.06551	0.2
87.04452	0.6
91.05786	0.7
94.04060	0.6
97.02884	1.0
98.97606	0.2
99.04458	0.9
101.06020	0.6
113.62463	0.2
119.03571	1.1
122.07146	1.8
123.08011	1.7
124.08309	0.5
127.03931	0.8
136.06183	100.0
137.04655	0.9
137.06577	0.5
145.04953	0.6
147.06476	0.4
167.05582	0.2
194.31914	0.2
224.92407	0.2
237.02913	0.2
281.10736	0.4
282.11810	2.2
298.11414	0.2
342.99680	0.3
411.04410	0.2
444.16840	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	444.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.05493	1.5
56.05020	1.7
57.03434	9.3
60.04499	1.1
61.02918	2.8
65.03937	0.9
67.05511	0.8
69.03427	7.4
70.06223	0.9
70.06595	11.6
70.69814	0.8
71.01331	2.4
71.04148	2.0
71.04982	1.2
72.04511	2.2
72.08139	3.6
73.02919	18.5
74.06078	2.5
79.05491	1.6
81.03398	1.7
82.06567	3.4
83.04988	1.9
84.04504	3.3
84.08143	6.7
85.02906	10.8
86.06062	6.6
86.09711	5.8
87.04469	1.7
91.05484	39.0
94.06570	1.2
95.04955	1.2
96.04481	1.8
97.02893	7.9
98.06052	4.6
98.97569	1.7
99.04442	2.3
100.07614	2.1
101.07148	4.5
102.05532	2.4
103.05465	1.4
105.03435	0.8
105.07029	12.6
105.83743	0.8
106.06542	1.2
107.04980	1.7
109.02866	1.2
110.06033	6.6
111.04446	3.1
112.07612	0.8
112.08740	0.8
114.05527	4.2
115.03925	3.0
115.05467	1.7
117.05755	5.8
117.07019	1.6
118.08647	1.0
119.05003	0.8
120.08101	12.7
121.08417	1.5
122.06041	1.9
123.04438	0.9
126.05515	6.8
127.03910	3.7
128.07103	5.3
129.06717	1.3
129.10225	4.8
132.08093	65.3
133.06506	17.6
134.09642	1.4
138.05492	2.6
139.03918	1.8
143.11752	1.3
144.06546	3.8
145.04979	2.2
145.06450	1.2
146.08099	1.6
148.34247	0.9
150.09140	100.0
156.06546	3.0
157.04964	1.6
160.48822	1.0
161.06004	1.4
164.07031	1.1
165.10188	0.9
174.07634	26.5
176.09039	0.9
186.07625	2.0
204.08711	8.3
212.05461	1.5
235.71440	0.8
265.69153	0.8
280.11594	1.2
282.12756	1.6
294.13300	1.3
312.14420	30.4
312.18036	1.5
336.12775	1.4
340.33679	0.9
444.12253	1.2
444.18759	10.6
444.52997	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	444.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69827	2.8
53.03942	3.2
55.05500	8.9
56.96551	4.1
57.03426	4.4
67.05513	18.0
69.03426	3.3
69.07073	43.2
70.89970	5.0
70.90276	3.7
79.05496	19.7
81.03414	12.1
81.07066	19.0
83.04962	5.0
83.08605	3.8
85.02898	3.0
87.66251	3.1
91.05433	15.2
93.07054	26.5
95.04980	21.3
95.08607	18.7
95.59889	2.9
96.38503	3.4
97.02902	5.2
97.06505	5.9
97.10153	6.7
98.47074	2.9
105.07012	11.9
107.04934	10.0
107.08595	11.0
109.06493	4.8
109.10149	7.1
117.06999	3.5
119.08562	12.5
121.06527	3.3
121.10112	10.4
123.11680	4.5
131.08521	5.4
133.10117	10.5
135.08034	12.6
135.11676	4.0
139.11171	3.5
144.97314	3.1
145.10129	8.1
147.11647	4.6
149.09560	3.7
152.70895	3.4
201.24055	3.8
203.12790	3.7
207.13814	7.6
217.07683	3.4
227.12697	3.6
237.14798	24.3
275.20062	33.9
293.21127	100.0
365.16263	4.8
444.16827	3.6
444.25620	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	444.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.8
55.01878	6.3
55.05513	26.0
63.36139	4.4
67.05505	72.2
69.03420	13.4
69.07079	22.2
71.49930	6.8
79.05492	36.2
81.03417	14.3
81.07054	40.4
83.04968	7.7
83.08607	15.1
85.02872	5.2
91.05449	32.0
93.07040	47.3
95.04966	16.3
95.08610	65.4
97.06501	5.0
97.10175	22.8
102.97165	4.2
105.07026	38.5
107.04962	12.3
107.08597	26.6
109.06516	6.9
109.10142	33.6
117.06993	13.7
119.08591	29.8
121.06487	6.4
121.10159	29.0
123.11714	5.0
125.09612	9.6
131.08551	22.1
133.10127	24.3
135.08073	6.3
135.11681	8.1
137.09641	27.5
139.11145	12.3
145.10094	9.3
147.11678	11.8
149.09636	8.9
155.08545	4.1
155.10574	6.4
159.11693	12.2
163.11205	9.5
165.09105	6.0
173.11781	8.3
173.13211	5.4
180.37743	4.3
183.11713	4.9
187.14659	5.1
189.11191	12.8
203.12799	11.4
229.19585	7.1
239.17883	7.3
257.19034	11.8
275.20059	100.0
293.21121	81.8
299.11179	5.3
360.21771	5.2
409.22153	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	444.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	2.0
53.03924	2.1
55.01865	5.7
55.05510	14.4
57.03415	3.1
57.35387	1.6
58.25991	1.7
67.05501	26.8
69.03417	3.7
69.07066	45.5
69.77251	5.5
69.77679	5.2
71.04984	3.5
72.59208	1.6
79.05488	37.4
81.03407	4.2
81.07053	32.5
83.04976	5.4
83.08605	4.5
85.02896	2.4
85.06548	2.2
91.05475	26.7
93.07043	48.6
94.07404	1.6
95.04971	18.5
95.08595	21.8
97.06524	7.1
97.10169	7.9
104.43974	1.7
105.07020	28.1
107.04955	23.8
107.08592	18.4
109.06516	2.2
109.10138	6.8
111.11765	2.2
115.05455	1.9
117.07000	6.4
119.08574	23.0
121.06503	2.4
121.10140	18.1
123.08079	3.1
131.08557	13.7
133.10120	22.5
135.08049	24.3
135.11664	3.3
139.11145	8.2
139.23772	1.8
143.48347	1.8
145.10080	11.4
147.11673	9.4
149.09619	9.2
157.10094	2.1
159.11711	5.4
161.09694	2.0
161.13359	3.0
173.13290	3.7
177.12749	3.1
183.13789	2.8
187.14854	1.8
201.38220	1.8
203.12788	13.2
207.13795	3.0
219.13785	2.8
225.14891	2.8
237.14839	21.2
239.17949	2.3
247.20580	3.1
257.18945	7.3
270.19864	1.8
275.20056	100.0
293.21103	70.7
445.20795	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	445.1109
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
51.87746	4.0
69.88667	3.3
70.35207	7.7
72.71258	3.1
85.02877	8.4
93.46299	3.6
95.82984	3.8
95.98749	3.4
98.97594	6.4
104.00089	3.8
122.07132	4.1
139.03937	4.6
204.36009	3.4
218.95773	4.3
241.54544	4.3
298.08871	3.7
314.73471	4.3
407.07709	3.8
445.11230	100.0
445.20087	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	445.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78401	1.3
55.94317	1.4
56.96562	12.3
62.95269	1.6
69.03423	2.2
69.62371	9.6
70.06588	6.5
72.08160	11.7
77.29243	1.2
79.05492	14.0
81.03416	1.9
81.07063	6.5
82.06587	7.2
84.08122	5.0
85.02896	3.3
86.09676	6.0
91.05793	1.8
95.04937	3.7
96.08115	7.1
97.06522	3.4
98.97579	23.2
100.07618	44.5
107.04912	2.0
109.06477	1.3
110.09703	1.3
116.98598	11.6
121.90220	1.3
124.07599	11.3
125.05967	3.7
129.10159	1.8
134.99640	6.6
136.07594	13.2
137.07877	4.7
142.08633	77.7
147.05566	6.6
148.03853	1.6
153.00510	1.4
158.99658	4.4
159.05531	3.7
160.09555	2.0
173.04750	1.9
177.00677	6.9
180.13850	1.8
185.16460	2.2
187.05048	4.5
188.29453	1.3
197.16434	1.8
199.06519	1.6
205.06081	51.0
223.14400	3.3
225.07938	5.5
229.07442	6.4
231.08954	1.5
235.14323	5.0
236.14719	4.2
240.10358	1.5
241.15445	4.4
243.08920	4.3
247.08327	1.8
265.10870	2.3
267.09088	4.9
271.08255	2.7
283.11993	4.9
285.10074	3.3
286.11792	3.6
301.13181	4.2
317.54541	1.8
325.13223	20.0
343.14319	17.0
346.13980	66.7
353.31061	1.6
427.18979	5.3
445.18304	100.0
463.18478	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	445.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.9
55.01877	26.1
55.05515	39.9
56.05031	4.1
56.96561	10.4
57.03439	41.8
57.07065	5.8
58.24763	4.2
61.02933	76.4
67.05509	47.8
69.03432	75.2
69.07054	23.3
70.06596	77.1
71.01360	8.8
71.04987	19.8
72.08150	32.8
73.02928	37.1
73.06592	4.3
75.05593	9.7
76.02195	5.4
79.05504	53.4
81.03424	81.4
81.07057	51.8
83.01341	20.2
83.04987	49.4
83.08600	22.7
84.04518	9.9
84.08150	9.2
85.02908	100.0
85.06541	6.5
86.09716	36.2
87.04464	8.5
87.37666	4.6
89.06015	6.6
90.09232	5.7
91.03954	41.8
91.05404	31.6
93.07048	59.6
95.04969	17.5
95.08604	31.7
97.02899	89.7
97.06506	25.7
97.10212	5.2
98.97571	14.8
99.04480	21.6
101.02386	16.5
103.03928	8.3
105.07016	30.2
107.04972	24.8
107.08588	39.7
109.02866	27.0
109.06526	22.0
109.10162	20.4
111.04444	16.2
111.05609	4.6
111.08105	13.4
116.98669	8.8
117.07024	18.2
119.08599	26.5
120.08144	9.3
121.06542	10.0
121.10128	29.2
123.08059	20.0
125.06043	8.5
125.09605	13.1
127.03925	52.1
127.05830	4.9
129.06975	7.4
130.07858	6.3
131.08600	11.8
133.06541	4.6
133.10141	11.8
135.08080	8.1
135.11700	38.9
136.07582	5.9
137.05948	11.3
137.09637	10.0
143.08501	5.2
145.04962	10.6
145.06543	4.7
145.10133	40.9
145.23843	4.5
147.08073	8.9
149.01225	6.4
149.09630	7.4
153.12744	12.2
155.08479	5.0
158.99702	5.8
159.06648	4.4
159.07927	5.7
161.05966	5.6
161.10878	4.5
163.04034	6.7
163.11183	65.1
165.09224	5.3
167.07104	11.3
167.08450	5.5
173.09616	12.3
175.11301	4.4
181.12228	22.2
183.06683	6.1
191.10699	22.6
205.08701	5.1
209.11742	42.4
215.13988	10.1
216.14223	6.2
217.08649	4.6
217.30096	4.9
227.12791	49.3
235.79826	5.2
238.98262	4.7
251.08614	13.3
258.97418	4.8
260.09161	19.2
271.62811	4.6
279.94617	5.4
283.12558	4.4
283.15424	97.8
292.26416	5.7
299.14352	9.8
311.14926	8.2
359.02975	10.4
367.33316	8.8
427.19635	9.1
427.35272	9.2
445.20547	29.1
445.36392	60.4
445.41898	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	445.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05182	4.4
53.03943	19.1
55.01878	24.1
55.05510	50.4
56.96561	9.5
57.03447	42.0
59.04995	9.0
61.02910	12.5
65.03944	6.2
67.05506	68.7
69.03431	89.3
69.07076	24.9
69.65768	34.9
71.01338	8.7
71.04990	20.5
73.02920	12.2
73.89365	4.6
79.05497	47.1
81.03419	96.7
81.07051	60.2
83.04982	39.8
83.08623	28.0
85.02911	53.1
85.06558	8.7
87.04488	5.1
91.05431	41.2
93.07053	68.2
95.04980	21.2
95.08621	46.1
97.02891	100.0
97.06510	28.0
97.10169	23.5
99.04446	21.4
99.69302	4.7
101.02383	9.3
103.03895	5.7
105.07014	40.3
107.04974	33.3
107.08592	37.3
109.02865	28.7
109.06523	7.6
109.10163	37.9
111.04443	23.4
111.08081	13.2
117.07028	19.2
119.08578	41.6
120.58675	5.0
121.06511	11.4
121.10184	27.8
123.08059	11.0
124.97733	4.9
125.09640	35.6
127.03904	53.6
128.06226	5.8
129.05521	6.6
129.07045	11.9
131.08562	20.5
133.06567	6.0
133.10146	20.2
135.08105	8.0
135.11737	28.5
137.05942	11.9
137.09641	13.7
143.08444	9.1
145.05048	5.1
145.10132	33.2
147.08125	7.1
147.11659	6.9
149.05936	5.3
149.09599	5.6
149.13283	8.5
153.12813	25.6
153.99139	6.2
155.08620	8.4
157.10146	8.8
161.09589	7.6
163.11195	50.2
165.05547	7.0
167.05611	7.6
173.04460	29.3
173.05911	7.9
173.09633	12.7
173.11771	8.9
173.13216	10.1
179.03410	5.2
181.10350	4.4
181.12193	24.1
183.06654	7.3
185.13173	5.2
189.11240	10.6
191.10692	18.3
193.12148	6.0
201.07552	7.9
209.11713	69.4
227.12791	78.1
229.14336	11.9
257.13702	7.6
283.15369	24.3
301.16428	13.1
359.02921	8.9
427.19809	7.4
445.20749	95.1
445.26196	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	445.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.0
55.01870	19.6
55.05506	32.8
55.45472	4.4
56.96558	7.9
57.03439	25.2
60.68480	4.2
61.02938	7.0
67.05499	50.4
69.03432	79.8
69.07052	17.8
70.06606	9.2
71.01344	5.7
71.04987	17.8
71.50206	6.3
79.05491	39.2
81.03423	86.2
81.07059	38.3
83.04988	31.4
83.08618	12.4
85.02902	40.1
87.04459	6.5
91.05473	20.1
93.07060	38.2
95.04971	15.7
95.08608	24.1
96.79047	3.9
97.02893	85.6
97.06549	10.7
97.10187	16.3
99.04440	15.2
101.02422	4.9
103.56046	4.3
105.07027	20.4
107.04935	20.6
107.08605	32.3
109.02892	23.6
109.10160	21.7
111.04427	20.6
111.08129	6.9
113.00026	5.2
116.98642	4.0
117.07026	10.2
119.08587	30.6
121.06516	7.3
121.10169	20.4
123.04403	5.9
123.08100	5.1
123.11736	5.6
125.09672	20.5
127.03913	41.2
129.05460	4.2
129.06979	8.2
131.08582	10.1
133.06474	6.3
133.10161	14.0
135.08054	5.6
135.11713	27.0
136.06198	5.4
137.06064	4.1
137.09579	4.0
143.10677	6.0
145.10117	27.3
147.08051	6.3
147.11722	5.1
153.12778	24.0
157.10202	5.5
161.09593	4.8
163.03925	6.1
163.11168	40.2
167.05663	4.4
173.04445	26.3
173.09634	4.4
173.11766	6.7
173.13210	5.4
181.12271	21.4
183.06607	7.2
189.09183	4.7
189.11108	10.4
191.10628	23.4
192.27483	4.5
201.07489	5.1
209.11716	59.8
219.13809	5.6
227.12791	61.5
229.14496	6.8
236.01845	4.4
241.19696	4.6
257.13824	6.0
267.08832	5.3
283.15396	21.2
285.10098	5.1
301.16513	14.2
315.10901	6.4
333.24527	4.8
353.15802	7.3
359.02765	6.1
427.19589	8.8
445.20709	100.0
445.26102	7.3
446.20691	6.5
447.31717	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	445.3675
Annotation	globosterol
Peak:m/z	Relative Intensity
53.03939	8.2
55.01860	5.7
55.05510	21.3
57.07076	42.9
57.62969	6.2
59.06120	7.8
64.11130	6.0
67.05506	33.1
69.07066	72.2
71.08632	30.4
71.49998	12.9
71.77560	5.3
73.46272	6.8
79.05515	29.9
81.07057	83.6
83.08612	22.3
85.10175	25.5
91.05486	23.3
93.07047	55.6
95.08614	82.6
97.10175	19.4
100.00743	7.0
103.38712	5.7
105.07032	57.0
105.07659	10.1
107.08596	63.6
107.09253	8.6
109.00634	6.0
109.10168	49.7
111.11734	10.2
117.07037	10.4
119.08588	50.5
121.10137	52.9
123.11713	21.4
131.08580	36.1
133.10124	29.9
135.11703	28.8
137.05952	6.1
137.13260	15.7
143.08574	8.1
145.10115	31.5
145.76553	5.7
147.11676	40.7
149.09669	10.0
149.13261	22.8
151.14798	6.9
155.07050	16.1
157.10136	12.2
159.11633	29.0
161.13254	18.4
163.14854	9.6
165.09079	16.6
171.11623	13.4
173.13298	10.5
175.14784	12.0
177.09099	11.6
179.10677	7.7
185.13264	13.7
187.14891	14.5
189.16399	12.8
191.10681	22.2
193.12222	9.7
199.14780	10.2
201.16370	11.6
203.18129	11.7
205.12268	8.4
233.15298	11.4
236.54654	7.3
248.90182	8.1
261.25858	13.2
273.18311	6.8
287.20111	15.2
321.50421	7.2
341.32086	9.0
343.33560	39.5
367.33484	7.3
427.35709	65.2
430.17737	10.9
445.19861	48.0
445.29926	15.0
445.36819	100.0
446.20743	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	445.3677
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.03935	6.8
55.01871	7.4
55.05507	21.0
57.03417	9.9
57.07065	10.1
59.04999	3.4
65.03921	3.9
66.35559	3.6
67.05511	24.6
69.03429	19.2
69.07073	30.8
71.04979	7.0
71.50004	3.9
71.50412	4.1
79.05485	16.5
81.03423	22.7
81.06686	2.8
81.07062	33.2
81.15470	2.4
83.04977	22.4
83.08614	23.9
83.91134	3.0
85.02901	9.4
85.06548	20.6
86.21737	2.5
91.05439	15.4
92.00906	2.5
93.06497	4.4
93.07040	51.1
95.04971	3.5
95.08602	61.3
96.08934	3.6
97.02901	20.4
97.06506	9.5
97.10168	9.0
99.08076	10.4
105.07032	33.3
107.08588	56.6
109.02868	5.0
109.06508	4.7
109.10163	35.8
111.08057	13.1
111.11707	10.5
117.06980	8.6
119.08578	52.6
121.06373	3.6
121.10146	39.2
123.08058	3.8
123.11704	17.7
125.09609	10.9
127.03915	12.6
127.07638	4.5
129.09113	19.2
131.08534	9.6
133.10127	48.8
134.98163	15.2
135.11687	55.0
137.09599	11.7
137.13246	5.5
139.65675	2.7
140.23563	2.6
143.08553	4.5
145.10086	16.3
147.11700	37.2
149.13237	13.5
151.11223	3.6
153.12747	5.5
153.32951	2.9
155.10643	10.3
157.10040	4.3
159.07951	3.5
159.11700	14.8
161.13229	13.1
163.11162	10.4
163.14819	12.1
167.14310	26.2
171.11711	4.3
172.61058	2.9
173.04576	6.3
173.13284	9.2
175.14804	4.7
177.16374	11.8
185.13177	5.4
185.18752	2.9
187.14815	11.7
189.16368	71.1
191.10626	4.0
191.17995	19.2
195.17436	4.5
199.14862	5.8
201.16423	12.9
203.17943	7.3
207.17433	72.7
208.17734	3.3
209.11679	10.0
211.14880	3.1
213.16374	4.3
215.17969	3.6
219.17493	6.2
223.16893	4.6
227.12814	17.7
228.88789	3.1
241.19644	4.0
269.22656	35.8
287.23676	43.1
299.27109	4.2
311.25793	7.5
355.29785	4.9
409.34622	53.9
427.30917	3.7
427.35773	36.8
445.20096	18.5
445.29724	12.0
445.36652	100.0
446.20877	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3676
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.05511	10.5
57.03436	4.6
57.07076	6.9
67.05506	20.0
69.03430	10.0
69.07078	18.3
69.17619	2.8
71.50126	3.3
71.50528	3.0
79.05483	13.1
81.03417	12.7
81.07051	24.2
83.04962	5.7
83.08636	8.5
85.02911	5.8
91.05477	11.0
93.02923	2.6
93.07053	28.0
95.08605	52.8
97.02896	12.6
97.06490	3.0
97.10178	7.6
99.04439	4.6
105.07038	10.3
107.04959	3.5
107.08588	40.0
109.10161	40.9
119.08598	16.7
121.10145	26.5
121.10888	4.0
123.11713	14.1
125.09631	4.7
127.03903	7.2
131.08562	4.3
133.10049	13.3
135.11671	18.8
137.13261	6.7
143.08492	2.9
145.10144	7.6
147.11691	6.0
149.13242	33.3
159.11687	3.4
161.13275	10.3
163.11226	4.5
163.14841	7.9
173.04477	5.4
189.12680	3.6
189.16472	6.0
191.10645	3.6
207.13762	11.5
209.11795	5.8
217.19609	5.6
219.21080	19.5
227.12753	4.4
287.23590	3.7
409.34622	5.2
427.35730	100.0
445.20865	9.5
445.29361	19.4
445.36621	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	446.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
53.84790	2.8
55.01883	4.8
56.05033	3.8
56.96561	2.9
60.04526	7.3
61.02927	5.3
64.32423	2.8
67.05509	5.4
68.05038	4.5
69.03426	9.1
69.92437	15.4
70.06608	21.7
70.94226	2.4
71.04993	2.8
72.08157	39.9
73.02919	2.9
74.02441	34.7
79.05498	9.9
80.05018	12.0
81.03426	5.5
81.07039	4.6
83.01351	2.7
84.04517	4.4
84.08144	8.2
85.02915	20.7
86.09712	9.7
91.05379	3.7
91.05834	9.5
93.07066	4.6
94.06571	3.4
95.04966	44.8
97.02907	8.6
97.06497	3.3
98.97607	5.0
103.05453	3.4
105.07021	10.5
107.04942	17.7
108.08131	15.2
109.02890	7.6
109.06517	7.7
114.05548	3.0
117.07036	3.0
119.08582	8.2
120.08103	3.1
121.06506	6.6
122.06031	4.5
123.04430	19.2
123.08097	3.3
124.07575	4.7
125.02370	13.0
125.06005	2.9
126.05503	24.8
127.03951	5.2
129.07024	7.4
129.10245	47.2
130.06575	2.7
131.04951	5.2
131.08572	6.6
132.08122	6.1
133.06522	4.2
134.04504	3.0
134.06079	3.2
135.04420	4.7
141.05484	9.6
145.04977	3.3
145.06509	3.5
147.08092	16.3
149.05977	5.4
149.09595	4.5
150.05519	12.4
150.09113	3.9
151.03922	59.9
152.07089	11.1
153.05469	14.8
157.06485	6.3
157.09723	18.8
159.04385	3.7
163.07613	5.7
174.09164	7.7
175.07532	9.5
176.10628	3.8
177.05495	6.8
177.08998	6.6
178.08626	9.2
179.07059	4.2
191.07069	3.8
192.10170	5.3
193.08649	8.1
195.06583	10.2
202.08681	9.7
203.07143	5.3
206.07713	2.7
211.09743	4.6
213.07576	4.3
214.07153	9.3
214.11797	4.7
220.09685	32.1
222.11256	8.4
237.02818	5.4
238.10757	75.6
238.13187	4.0
248.09204	12.5
266.10236	41.7
284.08560	3.9
284.11292	100.0
285.19312	7.0
314.12421	5.3
332.13382	7.3
360.02963	6.5
412.73355	3.1
446.13007	4.9
446.20444	3.9
448.54861	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	446.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	18.4
59.22123	8.1
68.84512	8.3
69.03429	20.6
69.18680	70.3
69.19112	29.9
70.06593	83.5
72.08148	18.6
73.02912	26.1
79.05469	10.0
81.03415	10.7
81.07073	8.2
84.04480	10.6
84.08147	49.2
85.02902	30.1
86.09695	29.4
87.04458	7.4
91.05463	84.2
93.07056	13.8
95.04961	9.4
95.08598	8.3
96.00797	8.0
97.02912	10.0
99.04476	9.2
100.07624	42.4
105.07031	10.5
109.02874	10.2
115.03993	10.8
117.07015	16.7
119.04951	14.2
120.48838	8.3
127.03966	8.5
129.10172	10.9
129.40842	8.3
132.08104	13.2
134.09650	24.4
135.08031	11.9
136.07578	30.0
150.09145	26.7
151.09511	10.6
152.10728	13.3
161.02388	10.1
161.57239	8.5
167.07059	25.0
176.09157	22.2
178.02499	12.3
182.09431	15.0
193.04945	100.0
207.11359	9.9
210.08853	15.8
267.08594	16.4
314.15485	10.8
349.89075	8.6
368.37442	8.2
386.29520	9.1
435.10248	9.0
446.20636	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	446.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11663	3.1
51.79287	3.3
55.05508	10.4
56.05025	4.4
58.06588	8.3
59.04986	6.8
59.06115	4.8
60.04514	10.4
60.05648	3.5
61.02917	5.1
62.01540	3.4
67.05500	11.8
69.03434	27.1
69.07066	7.2
69.61783	3.5
70.06586	9.6
71.04993	9.2
71.49332	6.0
71.80211	3.4
72.08144	10.4
73.02914	7.1
74.06062	5.1
79.05473	6.8
81.03412	12.2
81.07059	6.6
82.06567	5.0
83.04984	17.1
83.08604	5.2
84.02737	3.1
84.04495	12.8
84.08141	18.7
85.02906	42.0
86.06059	11.8
86.09702	11.0
91.05451	7.2
93.07026	9.9
95.04988	6.3
95.08600	14.4
96.08120	12.6
97.02885	22.0
97.06516	8.2
98.06032	4.7
98.09644	5.9
99.04458	14.5
100.07617	51.6
105.07043	10.9
107.08592	12.4
108.08149	8.0
109.02847	5.0
109.06503	7.7
109.10175	7.1
109.95037	3.5
110.06014	4.2
111.08086	5.8
112.07564	6.7
113.06002	6.3
114.09146	4.6
115.07574	4.3
119.08577	12.1
120.08089	3.7
121.06508	7.9
121.10121	24.6
122.09644	9.8
123.08057	21.4
124.07604	41.9
124.11207	19.2
125.09654	6.1
127.03916	9.0
131.08560	4.6
133.10112	9.6
134.09721	3.6
135.08034	9.7
135.11703	5.6
136.11212	4.8
137.09605	7.1
140.06960	5.3
142.12270	12.3
145.04994	6.2
145.10126	8.6
148.11185	5.3
149.01128	3.5
149.09590	9.4
150.12793	6.8
151.11136	4.1
152.10674	4.6
153.09056	7.5
156.10312	3.9
162.12762	6.1
163.11211	6.5
164.10683	8.0
166.12207	3.7
167.10664	31.2
168.10176	4.0
173.09763	3.7
174.09074	8.0
175.11198	5.7
176.10681	4.3
177.12773	8.0
178.12312	7.1
188.10820	4.3
189.12811	6.9
190.12254	4.3
192.10196	8.7
192.13861	5.9
193.12297	4.4
196.13330	13.2
202.15857	7.7
204.13927	5.0
205.12085	5.4
206.15443	4.9
207.13815	13.9
217.45071	4.0
220.17021	6.5
223.13397	6.4
230.15376	7.2
231.13654	5.3
233.17726	4.8
240.16084	6.9
248.16493	39.3
249.14748	7.8
250.18100	10.0
266.17496	100.0
284.18561	90.4
284.21838	6.4
410.21558	4.4
428.22726	12.9
446.18094	7.3
446.23737	72.3
446.39783	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	446.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.2
55.05510	11.6
56.05032	6.3
57.03434	7.4
58.06590	6.1
59.05009	4.0
59.06126	3.9
60.04514	12.5
60.05635	4.8
60.08151	3.5
61.02917	8.2
66.87153	3.0
67.05500	15.2
69.03431	35.0
69.07069	10.5
69.22388	8.5
69.22792	30.4
70.06582	17.6
71.04993	14.0
72.08157	7.8
73.02924	6.1
73.68491	3.6
77.44106	3.9
79.05495	12.3
79.14462	3.9
81.03420	20.3
81.07044	19.5
81.26509	3.5
82.06593	4.5
83.04981	18.5
83.08621	8.8
84.04501	15.3
84.08134	25.5
85.02396	4.6
85.02906	58.2
86.06071	8.8
86.09715	25.6
87.04463	5.8
87.99041	3.8
91.05466	17.8
93.07027	16.1
94.06567	5.7
95.04951	8.0
95.08612	21.5
96.08134	12.9
97.02895	24.2
97.06541	11.1
98.06059	4.7
98.21642	6.0
99.04451	14.6
100.07619	51.6
101.05983	3.6
102.45261	3.6
102.45915	3.9
105.07021	14.4
105.82199	4.1
107.04964	8.6
107.08598	21.3
108.08107	15.1
109.02872	7.4
109.06503	10.3
109.08858	3.7
109.10107	6.8
110.06030	5.5
110.51685	3.9
111.04440	4.4
111.08086	8.9
112.07643	4.8
117.07024	6.5
119.08585	16.0
119.81725	3.4
120.08094	4.2
121.06497	10.4
121.10163	27.6
122.09648	11.6
123.04452	4.9
123.08059	28.6
124.07593	44.8
124.11230	14.3
125.09570	3.6
127.03927	12.6
130.55060	3.8
133.10110	10.4
135.08064	16.4
135.11676	6.2
136.07576	5.3
136.11235	7.2
137.09630	7.0
139.03841	4.9
142.12300	7.5
145.04915	5.9
145.10127	5.8
146.09573	4.1
147.04390	4.5
147.11694	7.7
148.11208	9.1
149.09633	13.5
150.09152	7.6
150.12772	8.2
151.07457	5.3
153.09081	5.8
156.10197	5.2
159.11653	5.0
160.11249	3.9
161.13304	5.3
162.09081	4.0
162.12737	5.6
163.11201	10.9
164.10701	9.0
167.07155	4.0
167.10672	39.1
173.09590	4.3
174.09096	9.4
174.12801	6.4
176.10820	6.1
177.12712	5.9
178.12248	3.7
189.12813	7.6
192.10191	10.4
192.13795	5.8
193.12334	5.3
196.13365	11.9
204.13884	5.0
205.02728	4.3
205.12218	7.5
206.15402	9.0
207.13823	10.5
218.15530	3.9
222.14957	4.3
230.15388	10.2
231.15750	5.6
232.16954	4.3
233.17752	7.1
234.18561	4.6
240.15953	7.5
248.16486	34.2
249.14819	6.0
266.17502	100.0
284.11526	4.4
284.15445	5.7
284.18597	86.9
284.21933	8.3
367.91809	4.0
428.22635	16.9
446.23865	67.9
446.39752	9.4
447.16199	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	446.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
53.52283	1.1
55.01864	3.1
55.05285	1.1
55.05516	12.3
56.35436	1.1
56.96552	1.9
57.03413	1.6
57.07064	3.8
67.05502	30.7
69.03424	3.8
69.07069	14.6
69.87939	7.1
71.01345	2.1
71.04978	2.0
71.08639	6.7
79.05495	17.9
80.55621	1.2
81.03419	17.5
81.07053	20.1
83.04977	6.4
83.08618	4.1
85.06550	2.7
89.02398	2.1
91.05462	11.0
93.07043	26.8
95.04961	17.9
95.08596	17.7
97.06531	4.2
97.10156	5.1
97.81887	1.3
99.08080	6.6
105.07030	7.2
107.04958	2.9
107.08601	13.5
109.06520	3.0
109.10159	14.8
111.08022	1.7
117.06996	2.6
119.08577	28.5
121.10145	13.4
121.13363	1.3
123.04382	1.7
123.11704	2.9
125.09602	2.0
129.07004	1.5
131.08554	3.4
133.10129	6.3
135.08067	6.4
135.11661	7.3
137.09628	10.4
139.11185	3.1
145.10126	2.4
145.61749	1.1
147.11694	4.8
149.09596	1.8
149.13263	4.7
151.11165	9.1
159.11673	4.7
161.13260	2.4
163.11214	3.0
163.14859	1.7
165.12715	1.7
173.13203	2.1
175.14804	2.2
179.14207	1.8
185.13223	2.5
193.15875	2.0
203.12753	2.7
221.15356	4.7
241.19412	3.0
249.22136	3.6
256.21091	1.4
259.20551	3.4
277.21616	92.4
278.21927	3.4
295.22668	100.0
296.22989	3.0
321.74899	1.3
447.27020	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	447.1266
Annotation	Cytisoside
Peak:m/z	Relative Intensity
56.96565	2.0
62.45642	1.8
64.84222	1.5
65.18708	1.5
66.47821	1.6
71.04130	3.6
71.04478	2.4
74.91269	1.8
85.02876	3.2
86.09693	6.4
98.97623	3.3
109.16547	1.8
132.04382	1.9
149.02332	2.0
165.00063	4.7
183.01149	4.0
195.01088	1.6
203.05341	2.8
219.04225	2.0
225.02180	3.8
259.11938	6.7
267.03214	2.1
285.04285	3.9
291.04059	2.3
302.12033	2.0
365.10498	6.0
387.08188	2.6
447.12659	100.0
447.17905	4.4
448.13504	3.6
448.19498	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	447.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.7
55.01853	8.3
55.05502	16.6
55.89544	2.9
56.05031	5.0
57.03444	32.2
59.04987	4.1
60.04515	6.0
61.02927	59.4
67.05510	34.6
69.03432	48.6
69.07053	11.5
69.33732	26.1
70.06577	5.0
70.23526	2.4
71.01337	9.3
71.04987	11.6
72.08150	4.0
73.02914	30.8
74.06068	6.3
79.05492	49.9
81.03419	93.3
81.07057	38.2
82.06570	3.4
83.04979	24.4
83.08619	23.3
84.04503	24.3
85.02907	100.0
86.09705	5.9
87.04478	6.4
91.03947	32.4
91.05475	62.7
93.07041	31.0
94.02941	4.0
94.06621	3.3
95.04973	26.9
95.08593	13.9
97.02311	4.9
97.02888	60.8
97.06516	9.7
98.97581	2.9
99.04443	11.2
101.02374	14.4
101.38247	3.1
103.03951	6.4
103.05463	3.1
104.53100	2.7
105.03425	2.9
105.07031	34.4
107.04958	42.7
107.08567	5.1
108.08134	5.0
109.02866	19.1
109.06517	12.7
109.10150	9.0
110.06041	5.1
110.10504	3.8
111.04474	6.6
111.08084	14.6
112.03953	20.8
115.03905	4.0
115.05389	3.4
117.06995	7.2
118.06532	5.7
119.04942	10.7
119.08582	25.0
120.04462	7.5
120.08123	6.8
121.06473	6.1
121.10133	13.3
122.06017	4.2
123.04403	4.3
123.08051	9.5
126.05525	14.0
127.03910	27.3
129.05458	7.2
129.07022	14.4
130.04935	3.5
131.04872	3.4
131.08528	15.5
133.10121	30.0
134.06055	2.8
134.09622	6.2
135.04355	4.8
135.08075	6.2
136.07530	6.7
137.05998	7.2
137.09604	3.6
138.05502	5.2
139.03922	13.1
141.12560	3.2
144.06567	16.1
144.08078	6.3
145.04927	7.5
146.05965	4.6
147.04393	6.7
147.11700	20.4
148.07530	4.1
149.02348	3.4
149.05991	4.6
149.09564	10.1
152.07030	15.1
153.05469	4.1
157.10097	25.0
162.09116	14.1
163.07614	3.1
163.11206	4.3
164.07048	7.7
165.05461	7.9
165.12692	4.6
166.08644	2.7
170.08116	6.9
172.07542	4.6
173.05959	3.1
174.05473	3.7
175.11192	28.4
177.05437	5.1
178.08606	4.5
180.10133	4.2
183.06555	7.4
190.08585	11.8
191.07030	3.3
191.10635	4.7
192.06541	3.6
193.04971	5.2
193.12242	89.8
196.09714	3.4
206.08051	4.2
207.06531	6.0
208.09705	20.1
211.06006	13.9
211.13289	93.6
218.08104	12.9
222.11253	3.8
224.09203	41.4
225.07530	7.4
225.09576	6.7
227.12721	3.6
232.09726	3.8
236.09196	11.3
240.12247	20.2
243.08636	4.8
250.10739	21.9
254.10239	4.1
266.17520	4.9
267.15891	12.6
267.18240	5.7
268.11783	97.4
270.13348	11.3
285.12033	4.4
285.16934	75.4
286.12823	20.0
324.70648	3.2
429.20975	6.0
430.16849	5.0
447.16904	5.6
447.23230	15.9
448.18188	31.7
457.81613	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	447.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24711	2.2
53.03945	8.7
55.01862	5.9
55.05513	21.4
56.96554	2.5
57.03164	2.8
57.03436	32.9
59.04987	2.3
61.02619	3.6
61.02930	71.4
65.03940	2.3
67.05507	29.5
69.03099	2.9
69.03432	38.3
69.07058	10.6
69.63974	10.7
70.06564	2.1
71.01344	6.3
71.04992	11.4
72.08157	12.0
73.02923	34.4
79.05498	39.3
81.03420	94.3
81.07057	43.0
83.04982	22.2
83.08620	28.3
84.08141	2.5
85.02908	95.4
85.06548	4.6
86.09705	5.5
87.04488	1.7
90.09177	1.9
91.03957	41.3
91.05481	56.5
93.07034	25.5
95.04980	36.1
95.08601	17.1
97.02894	59.1
97.06547	10.9
97.10159	3.2
99.04454	10.6
99.08078	3.4
101.02382	16.3
103.03939	7.5
103.05451	2.2
105.07033	42.1
107.04948	13.8
107.08582	11.1
109.02891	19.5
109.06501	6.8
109.10144	5.4
111.04460	6.9
111.08096	16.8
113.05980	3.3
115.03920	3.6
115.05502	1.8
117.05569	2.0
117.07003	4.1
117.28407	2.1
119.08588	28.4
120.08080	2.3
121.03753	1.7
121.06494	3.8
121.10143	11.7
123.08065	6.1
123.11709	2.9
125.09581	2.1
127.03923	30.0
127.07542	2.0
129.05469	6.0
129.06996	17.7
131.08574	21.3
133.06499	4.1
133.10132	25.9
135.11703	1.9
137.05998	2.0
137.09612	2.0
142.07790	4.5
144.13860	4.6
145.04942	10.8
145.10127	4.8
147.08049	4.8
147.11702	23.3
149.09613	13.1
157.10133	28.0
159.11687	2.0
163.11182	3.2
165.12785	5.4
175.11200	29.7
183.06560	4.7
193.12248	100.0
194.12613	2.0
200.88307	2.2
201.07571	4.6
211.13298	91.9
235.13197	3.3
252.09509	4.0
252.59698	3.8
267.13861	1.7
267.16022	16.9
285.16968	69.7
309.17032	3.0
313.16403	2.2
337.16449	2.1
386.44614	2.0
429.21466	4.0
429.37039	4.7
447.22540	16.3
447.37943	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	447.2226
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03931	7.0
55.01871	5.0
55.05513	17.6
57.03438	17.5
61.02926	29.5
65.03944	2.1
67.05505	20.6
69.03436	22.5
69.07063	7.5
69.53570	12.4
70.06600	2.8
71.04984	5.8
72.08141	4.5
73.02917	15.6
75.04466	2.2
79.05500	23.6
79.61967	1.6
81.03421	100.0
81.07061	24.4
83.04977	25.1
83.08623	27.5
85.02908	47.2
85.06548	1.9
91.03966	15.3
91.05477	31.4
93.07055	20.5
95.04971	36.6
95.08593	9.2
97.02892	28.4
97.06532	5.6
97.10162	3.1
98.20740	1.8
99.04467	5.1
99.08063	1.8
101.02377	4.5
103.03934	3.3
105.07043	20.7
107.04941	11.0
107.05573	1.9
107.08587	10.5
109.02877	6.1
109.06519	7.1
109.10143	3.3
111.04442	6.0
111.08096	13.7
113.06003	3.2
115.03932	2.5
115.05502	2.4
119.08597	18.7
121.06488	3.5
121.10152	9.9
123.08055	2.9
123.11706	2.6
125.09669	2.0
127.03941	11.1
129.05513	8.0
129.07016	10.4
131.08563	12.6
133.06532	3.5
133.10104	12.6
137.09648	3.0
142.07767	3.1
145.04982	4.5
145.10114	4.3
147.04506	2.0
147.08044	3.5
147.11708	19.0
149.09608	6.2
151.11191	1.6
157.10115	15.9
163.11185	3.6
165.12772	4.9
175.11200	20.1
180.07184	2.2
193.12254	86.5
211.13290	54.6
211.15326	2.7
235.13289	2.1
249.14882	2.5
252.09415	4.8
252.59639	2.8
267.15903	31.8
271.06012	2.5
285.16974	63.7
309.17068	4.3
363.18353	2.2
381.60818	1.8
411.19858	2.5
429.21191	8.6
447.22598	3.8
447.28900	2.0
447.38077	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	447.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16919	3.4
53.03931	5.8
55.01877	8.2
55.05512	28.4
56.30731	4.5
56.96562	3.6
57.03437	28.7
57.98128	3.6
59.04997	4.5
61.02932	24.5
67.05503	35.4
69.03433	42.5
69.07071	8.9
70.06606	20.4
70.64481	11.7
71.01371	4.7
71.04985	8.6
72.08139	12.8
73.02903	16.5
76.02238	8.9
77.56448	3.7
79.05490	36.8
81.03416	99.1
81.07059	34.7
81.69199	4.0
83.04519	5.3
83.04978	63.7
83.08630	25.9
84.04501	6.7
84.08134	14.3
85.02904	52.7
86.09713	21.1
91.03953	13.6
91.05469	48.8
93.07032	29.7
95.04978	42.7
95.08609	19.4
97.02911	35.2
97.06505	10.0
97.66589	3.6
99.04443	9.0
101.02365	6.8
102.57818	3.8
103.03912	6.6
105.07030	27.2
107.04944	11.9
107.08559	16.6
109.02866	9.0
109.06528	8.5
109.10152	4.0
111.04456	20.1
111.08070	17.6
116.98610	6.8
117.07014	6.2
117.52692	4.1
119.08601	29.9
120.08097	7.3
121.06472	7.7
121.10126	13.9
123.04385	5.4
123.08073	8.8
125.09666	3.6
127.03909	18.2
129.05495	24.9
129.07004	12.9
129.10265	4.8
131.08556	16.1
133.06471	5.9
133.10146	19.9
136.07520	4.0
137.06013	7.7
137.09570	4.8
142.07748	7.2
145.10167	5.7
147.08002	9.0
147.11700	23.5
149.09605	12.0
153.12802	4.1
157.10120	18.8
163.11151	7.3
165.12785	5.7
175.11212	24.7
181.12331	5.6
191.10527	5.8
193.12234	91.1
209.11816	3.9
211.13309	66.5
211.15269	5.5
227.12729	4.1
229.14243	6.4
249.14764	6.9
252.09395	7.2
263.44641	3.5
267.15912	37.2
285.13275	5.8
285.16922	100.0
285.19888	6.7
329.75708	4.7
341.09961	4.2
429.21030	8.7
447.17953	86.9
447.38235	4.9
448.18512	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	447.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35014	1.9
52.89688	1.9
53.03939	7.6
55.01863	8.8
55.05513	30.6
56.88594	1.8
56.96570	3.9
57.03446	12.6
57.07066	2.7
65.03918	5.2
67.05506	65.8
69.03412	6.4
69.07073	23.0
70.06538	1.6
71.01337	3.1
71.04981	7.0
71.07964	1.8
71.49943	2.9
73.43456	1.6
77.03953	2.2
79.05496	56.4
81.03421	77.8
81.06606	3.4
81.07059	42.1
83.04973	15.8
83.08617	22.6
84.05873	1.8
85.02908	3.8
85.06519	6.1
91.05478	48.2
93.07048	56.0
95.04968	46.6
95.08604	21.2
97.02865	3.6
97.06534	18.6
97.10168	15.7
99.00780	2.2
99.08041	2.2
101.06004	2.3
103.05467	1.9
105.07033	29.7
107.04958	17.0
107.07901	3.1
107.08598	36.9
109.06536	9.7
109.10178	14.4
111.04437	6.2
111.08086	10.0
115.05428	3.8
117.07021	15.5
119.04954	2.3
119.07816	2.7
119.08595	26.7
121.06508	10.1
121.10144	13.7
123.08051	7.3
123.11694	4.6
125.09628	8.7
128.06219	2.3
129.06999	15.8
131.08545	15.8
133.06447	6.8
133.10136	14.4
135.08093	5.9
135.11693	33.8
136.06206	9.9
137.09628	4.6
139.03932	4.4
141.06975	5.2
142.07750	2.9
143.08562	7.3
145.06477	7.6
145.10135	18.7
147.08044	9.4
147.11687	8.0
149.02319	7.7
149.09628	7.5
151.07532	2.4
155.08580	3.2
157.06488	3.3
157.10155	11.8
159.11641	5.6
161.09641	5.3
163.11128	11.1
165.12761	2.6
169.10074	3.3
171.11650	2.5
173.09680	2.6
173.13165	3.7
175.11192	12.2
177.12787	2.7
181.12228	5.9
183.11682	3.4
185.13278	4.9
187.11224	4.5
189.09288	2.2
189.11212	6.5
193.12245	32.3
201.09142	2.3
201.12755	2.7
203.14270	4.0
205.12170	3.1
211.11209	2.6
211.13194	3.3
213.12761	2.2
225.12770	2.8
227.12730	3.9
229.12328	3.3
237.02808	2.5
249.14890	5.4
261.14948	2.6
326.68622	2.1
327.23151	2.6
329.21140	4.8
337.21658	6.6
355.22626	18.8
373.23535	9.3
403.24777	8.2
429.25977	16.1
447.27429	100.0
448.28476	4.6
455.84225	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	448.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
53.22847	1.3
55.01869	1.7
56.05030	3.4
57.03445	3.0
58.06611	1.4
59.04987	1.8
60.51722	1.4
61.02916	4.5
67.05505	4.8
68.05024	1.8
69.03429	15.2
71.04997	3.6
71.43367	2.6
73.02905	2.0
74.06063	9.6
79.05495	13.3
80.05016	1.7
81.03409	7.6
81.07061	11.6
82.06584	6.4
83.04985	2.0
84.04504	24.1
85.02914	22.3
87.04453	1.8
88.07646	3.0
91.03970	1.4
91.05490	13.9
93.05788	1.4
93.07043	4.9
94.02916	7.9
94.06564	4.5
95.04959	5.2
96.00854	1.5
96.08121	1.6
97.02879	9.8
97.06525	2.6
98.05939	1.6
103.05466	3.3
105.03405	1.6
105.06978	2.4
106.06525	2.0
107.04956	34.2
107.05653	2.4
107.08598	1.6
108.05750	1.9
108.08089	6.6
109.02848	2.9
109.06516	6.2
110.06040	4.1
111.04404	1.5
112.03979	17.6
112.07565	2.4
112.84883	1.6
115.03839	1.4
117.07005	4.0
118.06539	6.1
119.04955	10.0
120.04472	11.2
120.08128	2.0
121.02854	2.1
121.06512	2.6
122.06046	4.7
123.04376	3.5
123.08077	1.5
124.07633	4.9
126.05520	14.9
127.03925	4.0
128.03468	2.3
129.05458	2.5
130.05017	1.7
131.04958	2.9
132.08092	3.2
134.05974	1.7
134.09642	7.4
136.07590	6.9
137.05960	6.8
138.05522	5.4
138.09097	2.2
139.03896	6.4
139.07570	1.8
144.06569	20.4
144.08105	3.4
145.04967	2.8
146.06004	6.0
146.23360	1.5
147.04391	5.6
148.07542	3.8
149.06000	2.3
150.09134	1.9
152.07065	18.9
153.05476	2.4
154.05051	1.8
154.08543	3.2
155.86108	1.4
159.04399	1.7
160.07593	2.2
162.05522	1.5
162.09155	13.7
163.03915	2.3
163.07629	2.0
164.07083	5.0
165.05495	9.6
167.07103	2.1
170.08148	10.8
172.07541	5.4
174.05486	2.5
175.03973	3.5
177.05469	4.1
178.08705	4.3
179.07068	2.0
180.06517	1.5
180.10172	4.6
182.08154	1.8
183.06540	2.7
188.68535	1.7
189.05516	2.0
190.08595	11.7
191.07111	3.3
193.04962	1.7
194.08206	1.8
195.06525	2.9
196.09753	3.7
197.08070	1.8
200.07175	1.8
201.05423	1.8
204.29472	1.6
206.08270	3.3
206.10083	2.5
207.06595	2.3
208.09666	25.2
208.11423	1.3
211.06009	12.4
218.08144	5.7
222.11296	4.5
224.09183	42.6
225.07582	5.2
232.09714	3.2
236.09166	8.7
240.12296	26.2
242.10304	3.8
242.13835	5.2
243.08681	5.4
250.10706	22.6
252.12230	2.7
254.10185	4.3
268.11807	100.0
269.12048	2.2
269.64844	1.6
270.13351	10.6
286.12781	15.6
296.43231	1.5
338.08493	1.5
415.48035	1.5
430.17130	6.1
441.90057	1.7
448.18185	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	448.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97030	0.4
56.05010	1.3
60.05621	1.3
70.06575	0.6
70.29134	1.0
79.05470	0.8
83.06100	2.1
91.05470	0.6
91.71087	0.4
95.06086	0.7
97.07656	0.4
100.64384	0.4
104.04947	0.6
105.03381	2.4
105.05732	1.2
106.06543	1.1
108.82514	0.4
111.05566	6.7
113.07141	0.9
115.90036	0.4
120.04461	14.1
123.05502	1.6
126.06633	10.6
127.07456	0.9
130.21347	0.4
132.04445	23.4
132.08009	0.5
133.05038	0.4
134.05014	0.7
134.06004	10.4
137.04691	1.9
140.08147	1.6
145.03957	0.6
146.02350	1.1
147.05452	0.5
149.07069	1.0
151.06155	8.7
158.06050	0.7
161.07054	0.5
162.06625	0.6
168.08784	2.9
170.05624	0.7
174.10284	0.5
181.60527	0.4
185.07054	0.7
198.34831	0.4
202.09744	15.1
215.08095	0.8
216.11299	3.9
230.09239	10.1
231.09697	0.5
231.12383	1.6
232.10800	3.8
242.09206	4.0
249.26157	0.5
257.10321	5.2
259.11896	92.6
260.12326	2.5
276.14618	0.5
277.12872	2.9
284.11392	4.9
301.14056	10.5
302.12454	38.9
303.12711	1.3
319.15063	2.7
360.16742	0.6
362.18207	1.6
388.16620	0.5
406.17191	16.6
406.22537	0.9
407.17184	1.1
430.18250	1.8
431.16608	1.1
448.19382	100.0
449.19629	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	448.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.0
57.03421	8.6
62.35386	4.3
64.75986	5.3
67.05492	17.6
69.03433	10.4
69.07069	13.0
70.06577	7.4
70.53324	11.6
71.05005	12.3
73.02914	10.9
75.04469	7.4
79.05489	16.2
80.09790	5.3
81.03414	35.2
81.07063	27.2
82.03770	7.7
82.07379	5.4
83.04985	9.5
83.08617	9.2
84.08147	10.0
85.02924	25.6
86.09727	8.5
87.04455	7.2
91.05487	22.6
93.07038	31.9
95.04970	25.7
95.08590	10.1
97.02865	11.2
97.06538	10.4
105.07028	17.3
107.04958	6.7
107.08595	100.0
109.06556	5.3
111.04504	5.8
118.06586	5.3
119.08580	85.6
120.08106	6.0
121.06529	8.8
121.10144	16.4
131.08572	9.9
133.10114	21.8
134.10909	15.6
135.11679	24.9
137.09662	8.3
145.10118	6.4
147.07965	4.7
147.11699	6.1
152.56886	5.5
155.08575	5.9
159.11620	10.2
160.84096	5.8
163.11118	7.2
181.12233	14.4
193.12259	15.4
194.12628	16.1
229.08572	5.9
233.15353	34.7
267.15939	6.2
268.16031	7.4
286.17429	9.4
414.53754	6.0
448.16168	11.4
449.18985	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	448.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
53.62952	2.0
55.01874	3.8
55.05511	14.9
56.05043	19.4
57.03434	6.7
58.06598	13.0
61.02921	4.7
67.05509	12.6
69.03429	22.8
69.07072	7.1
70.06584	13.0
70.82668	3.9
70.82994	3.3
71.04995	6.1
72.04498	2.7
72.08160	2.3
73.02918	3.9
74.06065	4.8
79.05487	7.2
81.03416	10.3
81.07067	17.9
82.06580	9.5
83.04985	15.2
83.08619	10.2
84.04510	9.1
84.08144	14.0
85.02906	32.4
85.06548	6.6
86.06070	7.1
86.09707	5.8
87.04475	6.6
89.26065	2.6
91.03966	2.8
91.05491	8.8
93.07032	14.7
94.06579	3.0
95.04971	11.8
95.08588	12.7
96.08125	10.3
97.02893	16.8
97.06524	5.6
98.06061	5.5
98.09696	17.1
98.97552	3.5
99.04437	13.1
100.07604	11.6
102.05531	3.2
105.07040	12.3
107.04963	2.6
107.08596	24.7
108.08114	8.4
109.02905	6.2
109.06523	20.0
109.10167	14.1
110.06043	10.7
110.09675	7.7
111.04448	4.6
111.08068	4.8
113.06007	3.0
114.05505	4.9
116.07039	2.6
117.03432	2.7
119.08596	10.6
120.35257	2.2
121.06573	2.9
121.10163	20.0
122.05989	3.2
122.09689	4.9
123.04430	4.1
123.08115	7.5
123.11706	9.8
124.07606	4.0
124.11235	6.7
125.09662	15.4
126.05508	6.7
126.09159	8.0
127.03933	8.9
129.10323	2.4
131.08601	7.7
133.10153	8.4
134.93210	2.7
135.08067	6.7
135.11719	4.3
136.07561	5.7
137.09576	4.2
138.09212	3.6
139.03920	3.9
140.15886	2.4
142.08636	6.2
144.06512	3.0
145.02866	3.1
145.04953	3.4
145.10149	5.8
147.08078	2.8
147.11713	9.8
148.11194	5.4
149.09592	15.0
150.05515	2.6
151.11169	13.8
152.10709	2.2
154.08611	6.1
157.07663	4.0
157.10100	5.8
159.11653	4.0
161.13338	3.2
162.12723	2.4
163.14871	3.4
164.14366	5.8
165.12770	5.9
167.10707	5.6
167.14307	6.8
168.10167	4.0
171.11559	2.8
173.13274	6.6
174.12712	3.1
175.11238	7.0
177.05487	6.8
180.13882	2.3
186.07669	6.9
187.06032	3.8
189.12737	4.2
190.15871	3.4
191.14359	3.2
192.13809	4.3
193.12263	10.3
194.11755	3.1
195.06491	3.4
202.07465	2.3
204.08650	22.4
206.15486	3.2
207.13866	8.8
209.15369	16.6
211.13254	2.8
211.30547	2.2
222.09721	25.4
224.16629	4.5
224.19327	2.4
225.14836	5.7
228.58517	2.4
232.17024	11.4
233.15494	6.0
250.18033	63.5
251.16409	18.2
257.08044	2.5
268.19086	100.0
275.78784	2.2
286.20129	10.5
304.48154	2.4
412.23264	4.0
430.24310	28.8
448.19122	5.8
448.25458	92.5
449.20026	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	448.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
55.01865	5.2
55.05502	22.9
56.96562	8.6
57.03432	10.2
57.07085	5.6
58.99585	4.0
61.02917	7.6
65.29683	3.7
65.60240	3.7
67.05511	45.1
69.03438	18.3
69.07063	12.0
69.58263	23.2
70.06597	7.0
71.04996	10.6
72.08173	4.1
73.02934	4.6
76.02229	8.4
79.05505	23.7
81.03422	16.3
81.07063	53.7
83.04994	16.8
83.08609	7.7
84.04504	11.3
85.02915	23.3
85.06539	4.7
86.09740	5.1
87.04473	13.0
91.03944	4.5
91.05459	20.5
91.47900	3.5
93.03396	5.1
93.07054	27.5
93.61293	3.9
95.04980	70.9
95.08021	3.9
95.08617	65.9
96.08070	3.8
96.08931	4.3
97.02913	9.9
97.06533	37.5
97.10180	8.3
100.11248	12.6
105.07031	23.3
107.04964	8.1
107.08622	22.9
109.06533	13.3
109.10158	25.9
111.04432	13.1
111.08095	9.8
114.09155	8.1
116.01673	8.4
119.08582	34.9
121.02863	5.3
121.06482	7.2
121.10128	19.3
123.08060	9.4
123.11693	6.8
125.09602	6.7
127.03929	5.8
129.05507	4.2
130.05011	3.6
130.06491	5.5
131.08577	7.3
133.10152	23.7
135.04408	3.8
135.08061	10.2
135.11731	14.5
137.09608	12.6
139.03902	13.6
145.10143	12.7
147.08018	11.7
147.11700	13.5
149.09645	4.7
149.13228	4.7
151.07550	32.9
151.11237	6.9
153.09224	4.1
156.13838	10.5
157.08588	12.0
157.10037	5.3
159.11734	13.1
162.02261	9.9
163.03885	10.1
163.11226	4.2
165.09105	83.0
167.03587	4.6
173.02318	6.2
173.09637	6.7
173.13287	5.6
175.11139	4.4
176.07141	4.3
178.08665	8.3
182.15439	5.2
183.10146	6.0
184.13354	4.6
187.14795	18.3
193.12254	5.6
197.13260	5.7
198.13148	9.1
205.15878	10.8
210.14868	4.9
211.13306	5.7
215.07013	4.7
215.14299	27.1
216.14351	4.6
231.01816	4.1
233.15416	51.4
251.16423	100.0
259.09399	7.1
262.10742	13.7
263.11557	12.2
264.12372	24.1
267.09067	6.2
268.06415	4.7
268.09216	5.2
285.10059	22.0
286.10541	10.7
301.15897	33.9
324.61642	5.0
373.17999	4.5
430.20242	9.1
438.68826	4.6
448.15771	45.2
448.20801	6.0
449.16263	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03930	0.2
55.01874	0.2
56.05029	0.3
56.96565	0.3
61.01131	0.2
61.02923	0.2
68.99782	0.7
69.03438	0.4
70.06572	0.3
70.09746	0.3
70.10131	0.4
71.01365	0.1
72.08140	0.6
73.02946	0.2
74.06058	0.2
78.18610	0.1
79.05489	0.4
81.03421	0.4
82.06560	0.2
84.04483	0.3
84.08127	0.6
85.02904	1.0
86.09714	0.9
91.05483	0.4
95.04948	0.3
97.02901	0.4
98.97581	0.5
101.73505	0.2
104.05298	0.2
105.03361	0.3
105.07027	0.6
107.04955	0.5
109.02890	0.4
109.06550	0.1
111.00791	0.9
111.04447	0.2
115.05422	0.3
116.98562	0.4
117.06993	0.2
119.04880	0.2
120.08053	0.2
121.02863	3.1
121.06495	0.2
127.03925	0.3
133.02840	0.4
133.06473	0.6
137.02365	1.2
137.03265	0.3
137.68288	0.2
142.60237	0.2
145.06514	0.2
147.04414	1.0
153.01819	4.7
157.06522	0.4
158.09920	0.2
160.33778	0.2
161.05965	1.3
163.03888	0.2
165.01834	2.3
166.08597	0.2
171.04393	0.3
177.00636	0.2
180.10155	0.8
183.02905	1.1
185.06015	0.4
193.08649	0.2
197.06093	0.3
203.03239	0.2
203.07108	0.3
203.12195	0.3
213.05482	1.7
219.01674	0.2
219.13364	0.2
224.50909	0.2
229.04921	0.3
231.06572	0.9
231.11565	0.2
237.02763	0.4
241.04939	0.9
243.06502	0.2
257.07980	0.2
258.05194	1.2
259.06085	0.5
261.12759	0.4
269.04349	0.3
269.12723	0.6
287.05487	100.0
288.05823	2.6
363.09708	0.3
381.10425	0.4
423.11279	0.2
449.10971	0.5
449.19330	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	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03926	0.2
57.03422	0.5
61.02929	6.7
62.92394	0.2
63.12426	0.2
67.01848	0.2
68.99801	0.8
69.03426	1.4
69.07050	0.4
70.06583	0.3
71.48526	0.2
71.48869	0.2
73.02917	1.7
74.72525	0.1
79.05493	0.4
81.03397	0.5
83.04926	0.2
84.04490	0.4
84.08144	0.9
85.02384	0.3
85.02904	5.8
86.09702	1.3
91.03954	3.1
91.05469	0.2
97.02892	3.0
99.04444	0.5
105.03425	0.5
107.04926	0.4
109.02879	0.4
111.00799	0.6
111.04414	0.3
115.03871	0.3
119.04835	0.2
121.02032	0.3
121.02860	4.0
121.03806	0.3
121.04002	0.2
122.18882	0.2
125.81358	0.2
127.03931	1.0
129.10251	0.4
133.02832	0.7
135.04398	0.3
136.07591	0.4
137.02353	1.1
143.11780	0.3
145.04962	0.6
145.06454	0.3
147.04408	0.9
153.01830	5.2
155.09085	0.2
157.06464	0.5
161.02328	0.2
161.06013	0.2
165.01811	1.9
171.04449	0.3
175.07561	0.2
183.02893	1.3
185.05957	0.5
189.05484	0.2
191.03372	0.2
197.05965	0.3
213.05460	1.7
221.04588	0.2
229.04970	0.3
231.06535	0.8
241.04955	1.0
246.15001	0.3
258.05304	1.1
259.06039	0.6
269.04617	0.2
286.04691	0.3
287.05496	100.0
288.05844	3.8
297.07455	0.2
299.05521	2.6
300.06055	0.4
311.05478	0.4
313.07068	0.4
325.06967	0.6
329.06570	1.8
339.08749	0.3
353.06580	1.9
365.06583	0.3
383.07541	0.4
395.07593	0.4
413.08710	0.6
431.09705	1.0
449.10806	0.6
449.19727	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	450.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01858	1.6
57.03441	5.2
61.02931	6.1
62.06071	0.8
65.03933	1.7
69.03432	9.5
70.06583	1.7
70.80811	2.4
71.04984	1.6
71.80634	0.9
72.08153	1.5
73.02921	2.9
81.03409	4.0
83.01349	1.4
84.04480	1.5
84.08134	3.0
85.02908	64.7
86.09694	1.2
87.04485	1.8
91.03951	3.3
91.05484	100.0
94.86139	1.0
97.02893	31.4
99.04458	2.5
105.07023	2.0
109.02852	4.8
109.06485	1.0
110.07143	1.0
115.03931	3.6
117.06946	1.2
121.65138	0.9
124.07604	1.7
127.03924	14.2
128.05013	1.0
129.06976	1.4
133.06477	1.4
137.05986	2.1
143.03416	1.4
143.08566	1.2
145.04964	29.0
145.06302	1.6
145.06522	1.4
157.06444	1.9
161.04478	2.0
161.05956	2.2
163.05997	10.5
171.08015	2.0
179.73557	1.0
189.09126	1.3
193.12277	1.5
207.10162	3.9
217.08614	3.6
235.09657	2.3
253.10744	2.3
271.11853	1.5
325.11264	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	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
53.10200	0.6
55.01869	1.8
56.48304	0.6
57.03440	3.6
59.04998	0.7
59.84064	0.6
61.02921	5.3
65.03938	1.3
69.03432	9.8
69.60690	3.7
70.06588	0.7
71.04989	1.5
73.02913	2.6
74.02401	0.6
77.81374	0.6
81.03409	4.1
85.02908	58.1
86.09716	0.7
87.00832	0.6
87.04450	1.6
91.03981	3.3
91.05482	100.0
92.05849	0.8
97.02891	29.8
99.04476	3.2
105.07034	1.2
109.02874	4.2
115.03957	3.6
117.07010	1.3
127.03920	15.5
129.07022	0.8
133.06482	1.3
137.05966	0.7
145.04958	25.3
146.05334	0.6
147.14198	0.7
157.06474	1.0
161.04466	3.1
161.05721	0.6
163.06023	11.7
171.08040	1.0
217.04784	0.7
217.08635	2.4
235.09657	1.5
247.26381	0.6
253.10730	2.1
271.11383	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	451.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05499	0.8
57.03433	1.0
67.05494	0.8
69.03415	1.3
69.07074	0.6
70.06597	2.4
71.04979	0.7
71.48618	0.6
72.08156	2.6
73.02911	1.0
79.05492	0.8
81.03436	0.5
81.07050	0.9
83.01104	0.6
83.04967	1.4
84.04506	0.9
84.08132	1.2
85.02905	2.3
86.09690	1.8
91.05486	2.7
93.03419	0.5
93.07064	0.5
95.01083	1.3
95.04967	1.2
96.01840	0.5
97.02879	0.7
97.06514	1.6
98.45689	0.4
100.98548	0.5
104.10711	0.6
105.06997	0.5
107.04941	1.0
107.38105	0.4
109.02858	0.5
110.07159	0.4
111.04438	1.7
112.01333	0.4
113.02132	1.2
116.07052	0.4
116.98537	0.4
120.08138	2.0
121.06496	0.5
124.07588	0.5
124.92757	0.4
127.03905	0.8
129.05479	0.5
129.06972	0.7
129.10257	1.0
130.06573	0.9
131.04942	0.5
131.08507	0.5
133.06468	0.8
135.04523	0.5
136.07582	0.4
137.06000	1.2
140.91481	0.4
143.08542	0.5
145.06470	0.8
147.04375	1.0
148.06087	0.4
157.04785	0.5
157.10045	0.5
159.08060	1.0
161.05923	1.2
163.03932	0.7
163.07628	0.5
165.07019	0.5
167.07156	0.5
167.08575	1.0
169.06477	0.5
171.07982	0.7
173.02325	0.5
175.03993	0.4
175.07533	1.0
177.05458	0.7
181.04950	0.8
184.07477	0.4
185.04213	2.2
185.05797	0.7
185.09581	1.3
187.03937	0.4
187.07510	2.3
189.09135	1.1
191.07053	5.2
191.08691	0.7
195.08078	2.0
197.05933	1.4
199.14600	0.4
200.04686	0.5
201.09048	0.8
203.05286	0.8
203.07059	0.5
205.08540	0.9
213.09084	3.0
214.02426	2.6
215.03142	1.9
215.07033	7.5
217.08533	1.4
229.08650	0.6
231.10229	1.6
235.09683	0.5
241.08635	0.9
249.56775	0.8
259.09802	6.6
271.10712	0.5
271.14224	0.9
275.71136	0.5
277.10751	1.2
289.06879	3.6
289.11703	0.6
289.15363	0.6
433.15494	0.6
451.12027	100.0
452.12439	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	451.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09905	0.6
55.01861	2.0
55.85354	0.6
67.05486	2.1
69.03429	0.7
69.06689	1.1
69.07067	16.9
70.23132	1.9
70.23502	1.2
73.39989	0.5
79.05493	3.8
80.49247	0.5
83.04979	1.0
89.03916	5.7
91.05446	0.8
95.04955	1.3
95.08580	1.1
97.06532	25.2
98.20904	0.6
99.04595	0.6
104.03488	0.6
105.07032	0.8
107.04929	2.0
113.69135	0.7
117.03371	7.6
131.93568	0.6
134.03606	3.6
135.03436	1.1
135.04424	17.8
135.05452	1.2
145.02847	13.2
161.02344	1.5
162.03148	1.0
163.03900	100.0
164.04277	1.9
191.03363	0.8
215.07275	0.7
217.04958	2.1
241.08595	1.3
259.09656	79.8
260.09900	2.9
302.46600	0.6
423.26450	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	451.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01613	0.8
51.53900	0.7
54.77251	0.8
55.01862	1.5
55.05500	0.9
57.49233	0.7
67.05494	2.8
69.07066	21.2
69.23727	8.0
79.05477	5.8
80.84633	0.7
81.07046	1.0
83.04978	2.3
89.03926	5.2
93.07006	0.8
95.04951	1.6
95.08573	1.3
97.06525	21.1
98.20786	1.1
107.04948	3.6
117.02654	0.9
117.03394	8.5
121.10071	0.9
133.02878	1.2
134.03609	4.2
135.04404	17.6
137.05930	1.9
137.91345	0.8
139.42973	0.7
145.02847	13.0
147.04364	1.0
150.07874	0.9
161.02342	1.1
162.03119	2.3
163.03896	100.0
164.04271	1.0
191.03317	1.1
217.04968	3.4
219.31834	0.8
241.08662	4.0
259.09644	99.2
260.10001	3.3
289.14130	1.6
381.45932	0.8
417.58499	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	451.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01874	3.6
55.05517	22.3
56.96570	4.0
57.07071	8.4
58.69069	1.8
59.04991	7.5
62.90268	2.0
65.03953	2.9
67.05510	26.1
69.07074	38.5
71.04993	8.9
71.10997	4.6
73.06561	3.6
79.05502	20.1
81.03415	4.1
81.07061	49.5
83.04985	6.8
83.08614	19.9
85.02904	2.2
85.06541	4.0
91.05493	18.4
93.07047	28.7
95.04974	4.5
95.08612	52.3
96.56886	1.9
97.06530	17.1
97.10153	6.1
99.08107	4.5
101.06020	4.9
103.05476	2.4
105.07043	36.1
107.08595	32.8
109.06516	3.7
109.10156	44.7
111.08096	4.6
113.09689	4.0
117.07016	11.7
119.08588	37.3
120.62783	2.6
121.06531	2.2
121.10149	26.8
121.99275	2.1
123.08020	2.7
123.11711	13.1
127.11182	3.3
128.06250	4.9
129.07001	11.5
131.08568	26.4
133.10117	27.2
135.08124	2.4
135.11703	16.9
137.05969	3.0
137.09595	3.8
137.13272	8.0
141.07051	4.1
142.07774	7.0
143.08569	21.8
145.10135	30.1
147.08023	3.3
147.11699	18.5
149.01212	2.1
149.09615	2.3
149.13281	7.2
151.11166	2.9
151.14804	2.6
153.07019	1.9
153.12776	3.9
154.07762	3.1
155.08543	16.7
156.09361	5.0
157.10155	29.5
159.11703	23.1
161.13242	10.6
163.03975	4.6
163.11137	3.7
163.14830	6.9
165.07141	3.2
165.12816	3.4
167.08594	6.8
168.09300	3.7
169.10136	26.5
170.10886	4.3
171.11681	26.1
173.09674	2.4
173.13248	14.4
175.01556	3.9
175.11227	2.6
175.14795	13.2
177.16431	3.5
179.08630	5.2
180.09506	2.3
181.10130	16.6
182.10892	4.7
183.11702	20.5
184.12360	2.4
185.13252	19.5
187.14815	12.0
189.12869	2.4
189.16379	11.6
191.17932	2.5
192.09460	2.4
193.10124	8.6
194.10973	5.0
195.11699	19.4
196.12384	2.8
197.13269	22.1
199.14830	13.5
201.16325	10.6
203.17886	2.8
205.15915	3.5
206.10933	3.5
207.11725	9.5
208.12527	6.2
209.13290	15.5
210.13966	2.9
211.11127	2.6
211.14827	18.1
213.12767	2.8
213.16417	8.8
215.18042	6.7
219.11682	3.3
221.13330	6.0
223.14803	11.2
225.16422	15.3
226.13329	2.6
227.17978	7.4
229.15729	2.2
229.19487	3.9
231.17511	4.1
233.13322	4.8
234.14026	3.5
235.14900	5.8
237.16461	10.8
239.17982	11.8
241.08595	4.9
241.19569	6.1
243.17465	2.5
247.14932	4.1
249.16347	9.7
251.17838	11.0
253.19495	4.8
255.17403	3.2
257.19006	3.2
259.09695	8.6
259.20779	2.3
261.16345	3.7
263.17984	11.8
265.19565	7.0
267.17337	2.2
267.21146	10.2
277.19510	4.5
279.21259	3.9
281.19525	4.0
281.22678	17.4
283.20782	4.3
285.10278	2.4
289.19220	2.9
291.21030	3.6
293.22534	4.2
299.20090	9.1
301.21939	3.7
305.22812	3.7
309.25876	6.6
313.21634	7.0
317.22617	2.1
319.24326	2.6
325.21631	3.9
325.25287	2.6
327.23224	2.8
333.25708	6.1
333.40402	2.4
335.27164	3.8
337.25305	4.1
345.25958	4.3
347.27368	7.2
351.27017	4.0
355.26590	2.5
361.28934	5.2
363.26849	4.0
365.28677	3.1
375.30505	4.5
377.09381	2.3
379.30054	3.1
391.33530	4.4
393.31665	12.6
395.10391	2.6
395.29813	4.5
401.32013	23.6
415.32257	2.4
419.33127	47.7
433.35083	9.8
451.22076	5.5
451.35760	100.0
452.36029	3.3
466.99841	2.1
474.51233	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	452.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80839	0.1
55.05502	0.3
56.05040	0.7
57.07067	0.2
58.06578	1.1
59.07377	0.3
60.08163	12.3
60.84838	0.1
69.07063	0.3
69.54098	0.8
71.07372	3.9
71.07771	0.2
71.08618	0.2
83.08637	0.2
86.09703	27.7
87.10022	0.3
91.05496	0.2
93.07062	0.1
98.20736	0.1
98.98463	3.6
104.10739	100.0
105.11051	0.9
107.61887	0.1
124.99996	20.0
126.00322	0.1
142.03146	0.1
143.01036	0.5
145.10185	0.2
184.07333	23.6
185.07704	0.3
280.26349	0.1
349.20966	0.1
405.50357	0.1
434.33954	0.2
452.34991	17.4
453.35254	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	453.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46151	1.0
55.01857	1.3
55.05503	2.7
56.96555	5.0
59.80438	1.1
61.02927	1.3
66.06794	1.1
67.05492	2.9
69.03432	1.9
69.07066	2.3
70.06586	3.6
71.04991	2.6
79.05486	3.2
81.03424	6.8
81.07045	4.5
83.08604	3.0
84.08163	1.5
85.02899	2.1
86.09654	1.2
91.05492	2.9
93.03168	1.7
93.07062	2.9
95.04937	2.5
95.08611	1.3
97.02889	3.2
97.06508	3.1
98.97562	7.5
105.07040	2.9
107.08560	3.3
109.10140	2.8
110.03062	1.3
111.08061	2.1
112.99146	2.0
116.07066	1.6
116.98618	4.6
119.08564	2.6
121.10206	2.6
126.81282	1.1
130.84744	1.0
131.00162	5.0
131.08571	1.7
133.10136	9.1
134.99669	1.9
135.08093	1.9
136.06230	1.8
137.09642	5.7
147.11681	1.7
149.01207	9.4
149.13220	2.0
156.03633	3.0
157.10159	2.5
158.99690	4.3
159.06871	1.8
161.01205	1.3
162.07703	2.1
167.02319	3.7
168.07283	1.2
171.06734	2.5
174.07317	2.2
177.00671	6.4
178.07516	1.4
185.04242	5.0
187.08090	4.4
191.02321	1.3
191.14304	2.7
193.12276	5.0
203.10410	8.6
211.13319	1.9
219.01740	1.7
225.15080	1.5
237.02782	1.6
243.08849	32.4
243.59023	4.7
252.09419	2.1
255.13649	4.9
259.10107	22.7
259.60324	2.8
267.09152	2.0
267.60202	1.1
268.10672	31.8
268.60931	4.6
273.14777	5.5
273.19458	2.8
285.10107	4.3
291.15668	100.0
292.15915	4.1
293.05524	1.5
309.15472	1.2
330.38135	1.3
333.15439	1.6
349.65393	1.1
393.17499	4.4
409.67697	1.4
411.18787	1.9
453.20969	85.6
454.21500	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	453.2271
Annotation	Arisugacin C
Peak:m/z	Relative Intensity
50.01606	0.9
50.94223	0.8
51.02380	1.0
53.03938	2.9
55.01657	1.0
55.01878	8.3
55.05517	11.4
57.03432	2.0
57.07068	1.8
59.04987	1.2
63.37153	1.0
65.03937	1.5
67.05514	25.6
69.03441	4.6
69.07073	28.2
69.69874	0.8
71.04980	2.6
71.49844	1.4
71.50189	0.9
77.03937	1.5
79.05498	33.4
80.06268	3.6
81.03424	20.4
81.06610	1.7
81.07063	23.7
82.04204	9.5
83.04984	9.7
83.08624	3.2
84.05768	1.8
85.06521	1.2
91.05488	20.9
92.06255	1.6
93.07051	27.7
94.04188	3.7
94.07827	1.5
95.04977	40.4
95.08614	16.9
96.09379	1.8
97.06539	9.4
97.10162	3.8
103.05459	2.2
104.03350	0.9
104.06206	1.0
105.03395	6.0
105.04495	1.3
105.07040	18.4
106.07854	1.4
107.04962	74.5
107.08599	20.7
108.05746	3.8
108.09373	2.1
109.06531	5.7
109.10173	7.9
110.07299	1.6
111.08100	1.5
113.08094	0.8
113.13221	0.8
115.05427	2.5
117.07020	11.9
118.07820	1.4
119.04940	4.2
119.08594	16.6
120.09379	1.2
121.06512	24.2
121.10150	15.6
123.04408	1.1
123.08070	12.0
123.11700	2.6
124.08828	1.7
128.06250	1.8
129.07005	4.4
130.59796	1.1
131.08577	14.7
132.09354	2.3
133.02853	13.2
133.06505	10.4
133.10138	10.3
135.04424	2.2
135.08061	16.2
135.11681	4.2
136.08867	1.4
137.09625	8.5
139.11208	4.0
141.07010	1.6
142.07790	1.3
143.08536	3.6
145.06461	1.9
145.10150	10.0
147.04478	1.7
147.08067	8.1
147.11656	4.9
148.08835	2.3
149.09628	61.9
150.10364	3.1
151.03847	1.1
151.11171	2.7
153.05441	1.0
155.08566	1.8
156.09396	1.0
157.06528	2.3
157.10106	4.8
159.04425	3.2
159.08080	1.2
159.11739	4.6
161.02341	27.4
161.09624	4.9
161.13258	2.3
163.03902	8.6
163.11154	6.3
167.07088	1.0
167.08530	2.5
167.10641	1.3
169.06436	1.2
169.10150	1.7
171.04440	1.4
171.08011	1.1
171.11711	3.8
173.02357	10.8
173.05940	2.0
173.09607	1.8
173.11951	0.9
173.13254	4.5
175.03847	1.2
175.07503	1.2
175.11145	4.3
175.14793	1.1
177.09100	1.2
177.12794	2.2
180.11465	1.2
181.06529	1.3
181.08623	1.4
181.10095	1.4
183.04434	1.4
183.11665	1.5
185.05965	1.1
185.09613	1.8
185.13284	1.3
187.03900	2.4
187.11290	1.2
189.12704	2.4
189.16318	1.1
191.14291	1.6
195.11707	1.2
197.06027	1.6
197.13235	1.3
199.03891	7.4
199.14822	2.3
201.05487	1.1
201.12729	1.4
203.06912	1.3
203.10751	1.0
203.12769	2.5
203.14418	1.6
207.06253	0.9
207.13870	2.3
209.13347	2.3
213.05457	2.9
213.12691	1.0
215.07051	1.2
217.15961	4.5
223.07423	1.1
224.14107	2.3
225.05476	1.8
227.07030	1.2
227.14377	3.7
227.18036	1.0
229.15906	1.1
231.17593	1.1
237.14854	5.1
239.03319	1.2
241.04982	2.0
245.15404	7.9
245.19102	1.8
246.19884	3.0
255.17531	1.2
257.19037	1.4
263.16452	32.8
269.11786	1.7
271.20200	1.0
273.18524	6.4
274.19315	3.2
275.19998	13.4
277.17883	1.7
291.19629	4.9
292.20334	54.0
293.21088	11.9
301.14514	1.7
309.11203	3.4
311.12674	1.3
311.32443	0.9
329.13629	1.1
337.22110	1.7
339.15942	3.3
367.15482	3.4
391.23004	1.4
399.19470	1.3
403.21600	0.9
404.63354	1.1
407.22256	3.8
417.20578	6.0
435.21707	100.0
435.32263	2.9
436.22125	3.9
453.22754	72.1
453.33292	19.5
454.23044	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	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03939	7.4
55.01867	15.9
55.05515	39.9
55.45514	2.6
55.65807	2.6
56.96548	5.1
57.03432	6.1
57.07068	8.4
59.05016	3.9
65.03936	5.9
67.05507	81.7
69.03423	8.8
69.07074	54.5
69.30664	26.7
71.05004	8.3
71.08639	2.9
72.08164	2.5
79.05495	69.4
81.03426	29.5
81.06601	5.5
81.07058	77.1
83.04980	18.1
83.08619	21.1
85.02903	5.9
85.06524	4.2
88.76031	2.8
91.05482	59.8
93.07046	77.3
95.04963	27.6
95.08613	86.6
97.02897	3.4
97.06515	20.4
97.10160	15.5
98.20703	6.0
99.04437	9.6
99.08097	6.2
103.05452	5.1
105.07030	61.0
107.04955	43.6
107.08598	87.5
109.06533	10.4
109.10152	62.5
111.08072	11.0
115.05481	7.0
117.07036	23.6
119.04988	2.8
119.08585	68.5
121.06502	10.9
121.10137	50.3
123.08077	13.2
123.11700	20.4
125.09618	12.9
128.06265	6.0
129.07030	16.6
130.07816	3.9
131.04866	4.3
131.08575	40.0
133.02852	3.3
133.06488	7.9
133.10126	50.6
135.08060	21.7
135.11664	17.7
136.08760	3.9
137.09636	15.7
137.13245	6.7
139.11198	7.5
141.07011	5.0
142.07813	8.5
143.08563	32.7
145.06523	5.8
145.10136	38.6
147.04379	4.3
147.08047	10.3
147.11696	26.6
149.09633	29.5
149.13242	13.7
151.07545	4.4
151.11145	4.8
151.14865	3.7
153.06985	3.9
155.08553	18.1
156.09251	3.8
157.10126	40.9
159.04401	5.1
159.08052	8.1
159.11688	31.4
161.02425	4.8
161.05968	4.0
161.09616	16.0
161.13312	15.3
163.03903	28.5
163.11215	11.4
163.14816	9.8
165.06885	3.7
165.12740	5.2
167.08592	7.9
169.06439	3.4
169.10127	21.9
170.10854	4.6
171.11696	34.8
173.02397	10.1
173.05995	6.7
173.09657	6.3
173.11708	7.7
173.13297	16.5
173.73465	2.9
175.03981	4.6
175.11201	14.5
175.14909	14.2
177.09190	4.0
177.12791	6.5
177.16414	6.9
179.08594	6.0
179.10641	3.9
181.10136	12.1
182.11002	3.5
183.04530	4.4
183.11707	27.7
185.09586	5.3
185.13240	21.8
187.03918	23.5
187.07495	3.3
187.11182	6.4
187.14801	15.8
189.05569	3.7
189.11150	4.9
189.12750	5.7
189.16370	6.5
191.14420	3.2
193.12271	5.2
194.10942	3.6
195.11719	12.0
196.12502	4.5
197.06110	5.1
197.09625	4.5
197.13264	22.1
199.03964	12.8
199.07617	3.2
199.11197	9.0
199.14862	13.8
200.04411	3.5
201.05467	4.4
201.12672	7.4
201.16478	13.7
203.10701	4.4
203.14334	3.4
203.18008	5.6
205.12270	3.3
207.11807	4.7
207.13824	3.0
209.13312	11.9
211.07530	3.6
211.14839	17.2
213.05484	11.4
213.12788	6.4
213.16425	14.0
215.10710	4.0
215.14363	5.1
215.17975	9.1
217.15720	4.2
219.13791	4.5
219.17467	3.5
221.13379	6.3
223.14822	7.6
223.16779	3.5
225.16414	10.6
226.16995	3.0
227.17867	14.1
229.12317	3.9
229.19579	4.2
231.17384	3.7
233.15477	4.1
235.13116	5.5
235.16956	5.2
237.16312	5.8
239.14281	5.8
239.18057	10.5
241.04987	5.2
241.08612	4.0
241.12250	6.5
241.15935	3.9
241.19514	9.7
243.13840	3.1
245.19020	7.9
251.17964	8.2
253.15799	3.5
253.19583	10.1
255.10104	15.1
255.17538	10.4
257.15363	3.2
257.19122	7.3
259.13333	4.6
259.17047	4.9
259.20581	5.5
265.12341	4.1
265.19437	3.3
267.21127	6.1
269.11688	7.9
269.19125	3.1
273.18509	20.0
274.19186	5.6
275.20163	4.3
283.13440	5.4
283.16763	5.5
283.20297	3.6
285.10083	4.3
285.22278	3.6
291.19498	44.3
292.19846	6.5
297.11185	9.0
299.19925	4.3
305.22650	3.7
307.24130	3.7
313.21515	3.2
335.23834	4.0
337.14111	4.2
337.21982	3.6
339.23169	3.2
347.27271	6.4
365.28543	4.9
379.26511	5.0
389.21265	5.1
389.31784	6.5
393.27844	9.6
395.28998	3.7
405.31561	8.1
407.22275	7.0
407.33261	13.5
411.29004	5.4
417.20688	29.9
417.31653	7.8
418.20990	4.0
423.32614	16.1
435.21719	23.4
435.32608	60.5
436.33139	5.1
446.96912	3.2
453.24286	16.2
453.33661	100.0
454.33969	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	453.3362
Annotation	Melliferone
Peak:m/z	Relative Intensity
55.05503	2.5
58.75689	1.1
62.59598	1.2
67.05489	4.9
69.07056	4.9
70.56666	2.3
70.56994	2.4
79.05482	5.0
81.07058	9.1
83.08608	3.1
90.19987	1.1
91.05488	5.5
93.07040	9.6
95.04966	2.3
95.08598	12.4
97.06524	3.4
97.10178	1.6
98.20842	1.1
99.08092	3.2
100.11253	2.0
105.07024	8.3
107.04957	1.4
107.08585	12.8
109.06539	1.4
109.10166	7.7
111.04469	1.3
111.08068	1.4
116.43772	1.1
117.06996	1.5
119.08582	14.0
121.06490	2.0
121.10131	13.9
123.08051	1.7
123.11677	3.0
125.06002	9.3
131.08572	3.6
133.10120	8.3
135.08072	3.1
135.11684	3.5
137.09613	2.8
139.07527	7.0
139.11264	1.7
143.08525	2.7
145.10110	13.1
147.07965	1.2
147.11690	7.3
149.09579	4.0
149.13254	2.7
157.10130	2.6
159.08067	2.5
159.11667	4.5
161.09532	2.0
161.13240	4.8
163.11159	30.9
163.14809	3.1
164.11450	1.3
165.09114	1.3
169.10172	2.1
171.11670	2.3
172.12463	1.5
173.09625	4.2
173.13246	3.1
175.11165	9.0
177.09116	3.5
177.16362	1.4
187.11145	6.2
187.14804	11.6
188.12064	1.1
189.16362	5.8
191.10669	4.6
197.13220	2.9
201.16504	1.6
205.15874	56.9
209.22427	1.2
211.14851	3.1
215.14323	17.2
217.15900	1.4
219.17502	2.7
229.15863	45.2
230.16400	1.5
231.17316	3.2
233.15355	38.6
234.15529	1.5
238.34377	1.2
243.17479	4.0
247.16927	12.6
249.18497	2.6
257.19073	2.5
283.20639	1.4
435.32593	21.1
453.33633	100.0
454.33936	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03938	0.9
55.01863	2.7
55.05278	0.8
55.05512	10.0
56.05030	1.2
57.03414	2.7
57.07061	2.4
59.04991	1.4
65.03938	0.8
67.05503	14.4
69.03441	4.4
69.07066	15.2
70.06577	1.2
71.04970	1.4
71.49685	0.7
71.50102	0.9
71.54325	0.7
79.05491	12.6
80.91990	0.7
81.03400	2.7
81.07057	18.2
83.04503	1.2
83.04978	17.8
83.08623	5.4
85.02880	1.8
85.06516	1.5
86.09705	1.3
88.13683	0.6
91.05473	11.5
93.07044	18.8
95.01328	0.8
95.04971	4.3
95.08607	16.5
97.02926	0.9
97.06525	4.5
97.10166	3.5
99.07977	0.7
102.86315	0.7
103.05476	0.8
105.07025	13.4
107.04945	3.8
107.08590	19.5
109.06532	3.2
109.10149	11.0
111.04426	1.0
111.08064	1.9
111.11753	0.8
113.65007	0.7
116.06225	1.2
117.06982	3.8
119.08573	14.2
121.06516	3.6
121.10143	20.2
123.08057	3.0
123.11719	5.6
125.09605	2.1
127.03902	0.8
128.06177	1.8
129.06985	2.5
130.07753	1.1
130.37915	0.7
131.08553	10.7
133.06528	1.2
133.10121	11.5
135.08040	2.5
135.11684	4.2
137.09630	2.0
137.13272	3.4
139.11143	4.8
141.01823	0.7
141.06998	1.0
142.07785	1.5
143.08591	4.0
144.09360	1.0
145.06451	0.8
145.10115	9.5
147.08067	2.1
147.11685	6.0
149.09616	70.9
149.13254	2.6
150.09915	1.2
151.11200	2.9
155.08551	2.5
156.09328	1.1
157.10121	7.8
159.08066	1.1
159.11653	5.8
161.09644	2.2
161.13249	5.3
163.03874	1.7
163.11203	6.8
163.14832	2.1
165.12654	1.0
167.08487	0.8
167.10672	1.0
169.10103	3.0
169.12280	0.8
171.11694	5.4
173.02371	1.2
173.09628	1.5
173.11813	1.4
173.13193	5.6
175.11201	2.6
175.14830	2.4
177.09169	0.9
177.12796	2.3
177.16376	1.3
179.14293	1.3
181.10159	1.6
183.10201	1.1
183.11687	4.2
185.09613	1.2
185.13205	3.5
187.03833	1.2
187.11256	1.3
187.14859	3.7
189.12743	3.0
189.16382	1.9
191.14276	1.2
195.11729	2.5
196.12372	0.9
197.13203	3.2
199.11194	1.2
199.14845	2.0
201.05498	0.9
201.12663	1.0
201.16447	1.5
203.12776	2.6
203.14404	1.2
205.12196	3.4
205.15862	1.9
207.11755	1.1
209.11600	1.2
209.13316	2.2
209.20201	1.5
210.18530	22.9
211.13145	1.1
211.14906	2.5
213.12630	1.2
213.16385	2.4
215.14378	0.7
215.17952	0.9
217.15880	1.2
223.13266	2.6
223.15120	1.1
225.16370	1.7
227.17932	2.0
227.21156	6.3
229.12256	1.1
229.15823	2.0
231.17384	0.7
233.18945	0.8
235.14781	1.1
237.16386	1.1
239.18019	1.6
241.15950	0.9
241.19424	1.1
243.17429	0.8
251.11366	0.8
251.16377	1.4
253.19601	1.0
255.09393	0.7
255.17409	1.1
255.21172	1.9
257.19064	1.9
263.18021	1.2
265.19553	1.4
267.21118	1.8
269.12366	4.5
270.12573	0.8
271.12347	0.7
273.18481	2.4
281.18961	1.2
283.20551	2.8
285.19092	0.7
285.22116	2.2
291.19669	2.0
295.20676	0.8
335.22379	1.7
351.26880	1.0
361.24985	1.2
371.22055	1.5
389.23212	14.9
390.23660	1.3
397.27170	1.1
407.24408	7.5
407.32944	1.3
417.20752	1.4
417.31235	4.5
418.33395	1.0
435.21954	2.4
435.32471	10.9
453.23569	2.6
453.33633	100.0
454.34113	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03941	1.7
55.01853	1.3
55.05510	9.3
57.03448	2.0
57.07070	4.3
64.21499	0.9
65.03939	1.5
67.05506	14.2
69.03432	1.1
69.07071	13.1
69.43618	0.9
71.04989	2.1
71.49789	1.8
79.05495	16.0
81.03409	4.2
81.07056	20.7
83.04996	4.9
83.08643	5.4
83.48801	0.9
85.02946	1.0
85.06513	1.8
89.40515	1.2
90.90272	1.0
91.05489	12.1
93.06489	2.1
93.07041	22.6
93.26587	1.3
95.04978	5.6
95.08604	20.5
97.06534	3.6
97.10163	2.2
105.07030	20.7
105.87592	1.2
107.04941	7.2
107.08595	41.6
107.09325	2.1
109.06510	4.5
109.10151	14.1
111.08067	1.7
115.05467	1.4
117.07021	3.3
119.08582	22.5
121.06530	3.7
121.10148	34.4
122.73591	1.0
123.08080	6.7
123.11721	8.8
125.09640	2.9
128.06221	1.3
129.07019	3.8
131.08560	10.8
133.06509	1.7
133.10133	19.0
135.08064	5.9
135.11691	13.4
137.09622	3.9
137.13269	6.6
139.11212	2.6
142.07806	1.4
143.08562	6.2
144.09393	1.2
145.06500	1.6
145.10117	14.0
146.10844	1.0
147.08064	2.8
147.11684	14.7
148.12125	1.2
149.05988	3.1
149.09613	7.1
149.13257	30.3
151.11205	3.8
154.07727	1.2
155.08551	4.4
156.09363	2.9
157.10139	10.6
158.10818	1.3
159.08043	3.4
159.11702	9.9
161.02310	1.8
161.09575	2.8
161.13268	7.9
163.11221	3.4
163.14804	1.7
165.12744	4.4
167.08633	1.8
169.10133	7.9
170.10968	1.8
171.11681	9.7
173.02316	1.2
173.09668	3.0
173.11763	2.2
173.13193	9.8
175.11163	3.5
175.14838	2.8
177.12819	4.9
177.16370	1.0
181.10179	1.5
182.10962	2.6
183.11713	7.5
185.09653	1.4
185.13213	7.8
187.11243	2.6
187.14862	4.1
189.12782	3.1
189.16289	1.8
191.14323	3.6
193.10127	1.5
195.11739	3.9
196.12517	1.3
197.09694	1.6
197.13271	8.8
199.11174	3.7
199.14838	7.6
201.12726	2.8
201.16455	3.8
203.14330	3.6
203.18015	3.4
205.15756	1.3
207.11755	2.6
209.13269	4.5
210.13875	2.0
211.14777	5.9
213.12749	2.2
213.16357	1.4
215.14330	1.5
215.17946	1.6
219.11688	1.1
221.13315	1.6
223.11165	1.1
223.14877	3.0
224.15639	1.8
225.12733	1.8
225.16351	2.3
227.14435	2.2
227.17958	5.4
229.15926	1.9
231.17456	2.0
235.14845	1.6
237.16412	2.7
239.14368	2.6
239.17958	8.4
241.15919	2.8
241.19516	2.6
243.17442	2.7
245.18950	2.4
249.16447	2.3
251.18068	2.6
253.19511	8.5
254.20161	1.2
255.17603	1.8
257.19003	7.7
265.19458	2.1
267.17404	1.8
267.21100	1.5
269.18869	6.6
271.20557	8.7
273.18555	2.3
277.19635	1.2
281.19009	7.1
285.18439	2.8
285.21982	1.6
287.20035	8.0
291.19669	3.1
292.20413	2.0
293.20834	1.5
299.20151	1.6
331.23950	1.3
333.20151	1.8
349.25360	2.8
359.27493	1.4
367.26346	2.9
371.15536	1.2
377.28458	2.1
384.42914	1.2
392.30560	5.3
393.27466	1.5
393.31833	2.5
395.29697	1.6
407.33035	1.4
410.31870	3.9
411.28824	20.2
411.33344	1.6
412.29346	1.4
417.31265	6.6
435.21783	5.6
435.32648	21.9
436.33029	1.5
453.23199	5.9
453.33661	100.0
454.34152	6.1
479.59189	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.74389	0.7
55.05511	3.8
57.03424	1.0
57.07082	3.4
59.04989	1.5
59.93857	0.7
65.03938	1.5
67.05501	6.5
69.03435	0.9
69.07062	5.3
70.66285	2.5
71.04988	1.0
75.15004	0.7
79.05505	4.2
81.07057	9.1
83.04977	3.3
83.08611	3.6
85.06522	2.9
91.05489	5.0
93.07037	8.5
95.04968	1.2
95.08611	9.2
97.02857	0.7
97.06530	2.0
97.10155	0.9
100.11262	2.7
105.07022	8.6
107.08588	11.8
109.06515	3.5
109.10155	7.7
111.04450	1.4
111.08080	2.1
117.07010	2.5
119.08578	11.7
121.06491	0.9
121.10152	6.2
123.08064	4.2
123.11707	5.2
125.05971	1.7
125.09635	1.3
128.06252	0.7
129.06976	1.9
130.07819	1.0
131.08559	6.5
133.10132	10.9
135.08046	2.0
135.11700	5.3
137.09636	1.9
137.13206	1.5
141.06955	0.7
142.07782	1.7
143.08534	6.3
145.10115	7.6
147.08070	0.8
147.11693	4.5
149.09621	1.1
149.13268	2.3
151.11179	15.6
153.05516	2.3
153.12773	3.8
155.08556	1.8
156.09285	1.1
157.10150	5.6
158.10838	0.7
159.11699	5.6
161.09607	1.3
161.13240	3.2
163.11185	1.2
163.14845	1.2
165.07002	0.7
165.12772	1.7
167.08598	0.9
169.10115	2.9
171.11691	5.6
173.13254	2.8
175.11214	1.3
175.14825	1.2
177.12761	6.6
179.14342	1.2
182.10988	1.1
182.15527	0.7
183.11688	5.1
185.13205	3.8
187.11093	1.8
187.14743	1.3
189.12735	1.8
191.14307	1.1
192.26033	0.8
195.11688	2.3
197.13290	5.6
199.14764	1.6
201.12759	1.4
203.14355	1.2
207.11694	0.9
209.09795	0.7
209.13251	3.1
209.16582	0.8
210.14908	0.9
211.14841	2.2
213.12685	1.1
213.16386	1.2
219.17430	0.9
223.14844	2.1
225.16437	1.2
229.15811	0.8
237.16484	1.2
241.15903	0.9
241.19672	1.1
249.16431	1.0
251.17940	2.1
255.17566	2.2
257.19250	0.8
265.19501	2.5
267.17456	1.4
267.20712	0.8
269.19028	2.9
279.21106	1.0
283.20575	8.5
284.20755	0.9
327.23260	1.0
349.25061	1.3
417.31573	3.0
435.32623	7.1
453.33649	100.0
454.34039	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.17578	1.9
53.03938	1.9
53.94234	1.7
55.01863	3.4
55.05267	2.6
55.05510	20.2
55.21080	1.8
56.31340	1.6
56.96558	3.2
57.03418	2.4
57.07065	8.6
59.05005	2.6
67.05507	37.7
69.03436	4.2
69.07069	30.9
70.64025	5.9
71.05009	4.9
76.82785	1.9
79.05493	28.2
81.03421	8.5
81.07057	42.0
82.04195	2.4
83.04981	7.0
83.08621	12.3
85.06548	3.7
91.05474	24.0
93.07043	35.5
95.04968	18.1
95.08607	47.1
95.82247	1.8
97.02875	2.5
97.06533	11.0
97.10156	6.2
105.07032	37.8
107.04962	20.2
107.08600	42.9
109.06513	11.5
109.10152	31.2
111.08081	6.0
115.05511	1.8
117.07025	10.3
119.08587	39.3
119.51219	1.9
121.06532	9.7
121.10143	32.0
123.08059	8.3
123.11696	15.9
125.09661	3.1
128.06239	3.5
128.74843	1.8
129.07004	9.5
131.08578	19.4
132.09296	2.2
133.02850	5.2
133.06508	4.5
133.10135	27.2
135.08052	8.7
135.11703	17.3
137.05956	1.9
137.09610	5.5
137.13266	7.6
138.97318	1.8
139.11229	3.5
139.77763	1.7
141.06966	2.4
141.09119	2.6
142.07799	4.0
143.08559	21.4
144.09370	3.3
145.10107	26.9
147.08052	4.4
147.11696	24.6
149.09621	21.9
149.13266	16.7
151.11266	3.2
151.14804	5.3
155.08560	8.9
155.10735	2.1
156.09320	3.0
157.10146	20.5
159.08093	3.4
159.11696	24.7
161.02364	4.9
161.09659	7.0
161.13228	11.0
163.11266	9.4
163.14844	5.7
165.12749	3.0
166.07811	2.2
167.08604	3.8
168.09381	3.0
169.10132	11.7
170.10820	3.5
171.11746	13.5
173.02324	3.0
173.09619	4.6
173.11794	3.9
173.13275	9.9
175.11197	10.5
175.14854	8.2
177.12732	2.2
177.16393	6.6
181.10136	5.2
181.12180	1.7
182.10835	2.0
183.11722	14.4
185.09622	3.1
185.13231	12.3
187.11221	3.8
187.14801	7.1
189.12778	7.5
189.16437	5.8
191.14374	2.4
191.17924	4.7
193.10239	4.4
193.12286	2.7
195.11688	10.6
197.13246	14.3
199.03867	3.8
199.14865	7.8
201.12787	3.0
201.16344	9.1
203.14398	3.1
203.18042	6.1
207.11810	3.6
207.13860	8.8
209.13322	6.3
211.14879	8.8
213.05492	2.8
213.12744	4.4
213.16319	3.9
215.14362	6.2
215.18005	5.8
217.15932	4.1
217.19534	3.2
221.13309	4.1
223.14867	7.2
225.16458	3.9
227.14398	4.6
227.17932	2.5
229.15981	2.6
231.13826	3.0
231.17484	2.8
233.13219	2.5
233.15387	4.4
233.19025	3.5
235.14894	2.8
237.12927	2.1
237.16454	3.3
239.14291	3.2
239.18007	4.0
241.15868	4.7
245.15388	2.3
255.17477	2.6
255.20981	2.9
257.15442	3.0
259.17020	4.7
263.16458	6.6
267.17523	3.5
273.18814	2.8
275.20062	2.6
279.17740	2.1
281.19049	2.9
283.16800	2.2
285.18713	3.5
292.20319	9.4
293.21057	2.2
297.18445	3.2
299.20120	5.4
311.20181	2.4
340.28897	2.2
361.25095	2.2
363.30408	5.2
417.31641	11.9
435.21848	20.5
435.32645	46.6
436.22421	3.9
453.24033	13.1
453.33670	100.0
454.34201	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03997	2.1
55.01867	3.5
55.05506	14.6
57.03430	2.5
57.07071	15.5
65.03951	2.2
67.05511	24.3
69.03428	5.4
69.07077	15.2
69.75822	11.4
71.04999	2.5
73.58286	2.0
79.05484	19.0
81.03413	4.0
81.07047	28.3
83.04976	7.8
83.08618	11.7
85.06528	3.8
91.05483	18.4
93.07051	23.5
95.04958	16.3
95.08608	39.1
97.06544	5.7
97.10147	4.5
100.11262	2.6
103.05517	2.4
105.07015	18.5
107.04974	8.6
107.08585	41.5
109.06517	7.6
109.10158	21.7
111.04465	13.8
111.08096	9.2
115.05424	2.2
117.06999	6.3
119.05025	2.6
119.08580	27.8
121.06496	9.5
121.10139	41.7
123.08057	8.5
123.11697	10.4
125.09637	2.4
129.07028	5.7
131.08556	13.4
133.06477	4.8
133.10127	19.9
135.08070	7.1
135.11673	23.3
137.05957	3.6
137.09641	5.3
137.13252	48.7
139.11171	5.0
142.07838	2.6
143.08571	12.0
145.06503	3.6
145.10120	28.8
147.08037	7.4
147.11711	12.9
149.06041	2.5
149.09621	9.1
149.13258	19.3
153.12773	6.3
155.08575	6.0
157.10104	12.7
158.10873	4.0
159.08090	2.9
159.11667	18.3
161.02374	2.6
161.09587	6.9
161.13272	8.9
163.03871	3.0
163.11226	5.4
163.14847	15.2
167.08623	3.1
169.10123	8.0
171.08176	3.6
171.11722	7.1
173.09637	4.8
173.11836	3.1
173.13286	8.4
174.72446	2.6
175.11197	3.7
175.14809	8.4
177.16403	8.0
181.10155	3.4
181.12108	3.0
183.08032	2.9
183.11752	6.3
185.09605	5.4
185.13301	7.3
187.11249	3.4
187.14787	21.6
189.16409	6.3
195.11703	6.0
195.85263	2.2
197.09721	3.7
197.13297	8.0
199.11134	6.7
199.14867	5.7
201.16367	19.7
203.14426	3.0
209.13272	4.4
211.11230	7.2
211.14799	5.1
213.12816	3.9
213.16458	3.9
215.14449	3.0
221.13271	3.0
223.13177	4.5
225.12726	5.0
225.16306	3.2
227.14359	2.7
227.17921	3.2
237.16428	2.2
239.14336	4.9
240.99374	2.0
241.15919	7.5
243.17563	2.9
247.08650	2.3
251.16423	3.9
253.15941	3.8
259.16965	4.1
261.18475	2.6
265.19440	3.0
267.17535	6.2
269.18982	2.7
271.17151	2.5
271.20502	6.0
273.18445	4.7
275.20233	4.0
281.19046	9.0
283.20737	2.8
285.18518	4.5
289.17953	4.4
291.19598	5.4
292.20465	2.4
293.23077	2.5
295.20612	3.7
299.20172	8.1
301.17963	2.4
303.19577	6.0
313.21640	10.1
337.22058	3.2
375.26852	2.8
383.14688	4.1
383.25870	2.4
390.79282	2.6
391.55142	2.5
393.27789	7.1
399.30356	2.6
417.31668	7.5
425.34222	4.3
435.21497	7.2
435.32700	28.6
453.22989	10.4
453.33707	100.0
454.34167	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	453.3359
Annotation	Melliferone
Peak:m/z	Relative Intensity
51.65931	0.6
54.49264	0.6
54.73488	0.6
55.05499	3.0
57.07069	3.1
59.04988	2.3
65.03948	0.6
67.05499	6.1
69.03409	1.2
69.07076	4.8
71.04983	0.8
71.49920	0.9
79.05489	4.6
81.03412	0.8
81.07053	9.9
83.04973	2.6
83.08611	3.0
85.06522	1.8
91.05483	5.1
93.07040	7.8
95.04958	1.5
95.08608	10.0
97.06519	1.7
97.10147	1.7
99.50288	0.6
100.11259	2.0
105.07028	8.8
107.04947	0.9
107.08588	11.9
109.06520	4.0
109.10159	8.1
111.04482	0.7
111.08081	1.9
117.06992	1.5
119.08574	9.4
121.06511	1.3
121.10152	6.4
123.08093	4.7
123.11699	6.1
125.05981	1.0
125.09608	1.6
128.06279	0.9
129.07057	1.0
131.08575	6.7
133.10110	9.8
135.08038	1.4
135.11687	5.3
137.09599	2.8
137.13283	1.3
139.11249	0.8
142.07788	1.0
143.08530	3.9
145.10117	7.5
147.11723	4.3
149.09581	2.0
149.13260	0.9
151.11180	14.8
151.14839	0.7
153.05479	1.7
153.12741	6.2
155.08533	2.2
156.09337	1.0
157.10133	5.2
159.08154	0.6
159.11658	6.0
161.13271	3.2
163.11165	1.9
163.14821	1.0
165.12729	2.5
169.10147	3.3
170.10667	0.9
171.11674	5.1
173.13263	2.1
175.11197	1.6
175.14813	1.7
177.12730	7.7
179.14261	0.7
181.10132	1.3
182.10829	0.8
183.11678	5.4
185.13225	4.0
187.11124	0.9
187.14842	1.1
189.12740	1.8
195.11681	2.6
197.13298	6.0
199.11235	1.0
199.14861	3.2
201.12646	1.7
201.16284	0.8
203.14240	0.8
209.13351	3.3
211.14807	2.7
213.12743	1.2
213.16365	1.5
215.14536	0.8
217.15906	0.8
219.17302	1.6
223.14847	2.5
225.16423	1.3
236.15503	1.0
237.16449	1.6
241.15970	1.0
251.17926	3.2
255.17395	1.8
265.19516	2.2
267.17596	1.1
269.18988	3.8
281.19025	0.7
283.20554	8.6
312.54691	0.7
327.23227	1.2
349.25461	0.9
371.21686	0.8
389.28339	1.3
403.68515	0.6
417.31525	2.9
435.32736	6.9
453.33649	100.0
454.27441	1.3
454.33969	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	454.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01859	1.8
57.03418	2.9
61.02928	6.0
61.36875	0.6
65.83006	0.6
67.05508	5.3
69.03431	14.3
70.06581	1.3
71.04975	2.5
71.20454	1.6
73.02900	1.9
79.05502	3.3
81.03426	6.6
81.07045	1.1
82.06570	2.9
84.08142	1.5
85.02908	32.9
86.09691	0.6
87.04459	2.8
91.03939	1.7
91.05466	3.0
93.07029	0.8
94.06554	0.9
95.04388	1.1
95.04970	17.7
96.05256	0.7
96.08131	15.1
97.02897	13.0
98.97610	0.9
99.04457	2.7
105.03368	1.9
105.04489	1.0
105.07021	1.4
106.06577	3.8
107.04940	0.8
109.02866	3.9
109.06502	2.1
109.08927	2.9
110.06066	1.1
110.09689	17.9
118.97838	0.6
119.08599	1.5
120.08103	1.4
122.09689	1.7
123.04430	9.8
123.08037	0.9
127.03932	7.4
129.10242	0.8
133.02849	2.2
134.09613	2.2
134.10571	0.6
135.04416	2.1
136.07611	0.8
137.05963	3.4
138.09155	2.9
139.03871	0.7
139.27992	0.6
141.05478	2.5
145.04984	3.6
149.01268	0.8
151.03899	11.0
152.05702	5.9
155.07042	0.9
156.03520	0.7
162.09151	9.8
162.11325	0.6
162.12772	2.5
163.03883	2.4
164.10841	0.8
165.05482	100.0
166.05859	1.6
169.04988	0.8
180.40254	0.6
183.06551	7.3
186.12680	0.9
190.08626	12.8
190.12286	2.8
191.09378	1.2
192.10178	1.8
194.11743	1.2
222.11308	3.2
232.13414	1.1
252.09406	5.3
260.12805	14.9
261.10037	3.4
261.12509	0.6
261.60245	0.6
272.14932	4.8
274.14426	2.7
285.10040	0.7
292.15439	58.2
293.15665	1.6
312.34378	0.6
334.16495	0.7
380.00790	0.7
436.21863	1.0
454.20712	48.9
455.20929	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	454.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13312	0.5
56.96561	1.5
69.03423	2.0
70.06584	0.8
71.49053	0.5
71.49458	0.8
79.03686	0.5
79.05460	0.6
81.03404	1.0
84.08141	2.3
85.02907	2.6
87.04475	0.7
88.67738	0.5
97.02852	1.4
97.08897	1.2
98.09687	3.4
98.97615	1.0
107.04948	1.8
109.02877	0.6
116.98611	1.5
122.09655	0.8
125.02342	0.8
125.05976	0.6
127.03941	0.6
128.16417	0.5
130.06512	0.8
133.98932	0.5
134.09674	1.1
134.99651	0.9
135.04420	2.9
136.11185	4.5
139.03883	0.9
146.99669	0.6
147.10451	0.7
153.05446	1.0
162.12775	3.1
163.03928	2.1
164.10797	1.0
165.11533	0.6
169.08653	0.7
172.11217	9.8
177.05508	1.1
186.12860	1.0
188.10706	4.0
190.12285	2.7
198.09140	0.9
205.24666	0.7
214.12230	5.5
216.10168	1.0
222.34793	0.7
230.11748	1.2
232.13213	2.9
237.02893	1.3
242.11739	3.3
246.14867	1.0
260.12830	13.7
264.15991	5.9
273.12442	0.6
274.14426	1.8
292.15421	69.1
293.15784	2.3
454.20724	100.0
455.21030	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	454.2926
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
55.05500	1.9
57.03420	1.3
57.06855	0.6
57.07077	6.4
59.58437	0.4
62.06088	0.9
67.05500	2.9
69.07056	1.5
71.08628	4.8
71.49950	0.5
71.50307	0.6
79.05468	0.7
81.07046	2.7
83.04972	0.6
83.08606	1.9
85.10185	1.2
88.03182	0.4
89.06025	0.8
91.05441	0.6
93.07023	1.3
94.07398	0.6
95.04949	0.8
95.08611	2.8
97.10186	0.5
100.11270	0.5
105.07024	1.2
107.08578	1.4
109.10137	1.8
119.08630	0.8
121.10137	0.8
123.07999	0.7
123.11642	0.5
133.10097	0.6
147.11682	0.6
148.89445	0.6
149.13231	0.6
159.11649	0.5
171.11484	0.6
173.13188	0.7
205.47493	0.6
282.27899	100.0
283.28275	3.4
300.29095	0.7
313.27350	11.9
393.19028	0.6
454.33777	2.4
455.35178	1.5
470.21155	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	454.2927
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05503	3.0
56.05360	0.6
57.03440	3.9
57.06805	1.1
57.07077	20.9
62.06091	23.8
67.05510	4.3
69.07064	4.4
69.38512	6.0
71.08637	14.1
75.97282	0.7
81.07056	5.7
83.08615	4.7
85.10184	7.9
95.08611	8.4
97.06487	0.7
97.10177	1.9
98.21545	1.3
98.98485	5.5
109.10167	4.2
123.11652	0.8
124.01640	1.2
124.02523	0.7
137.13170	0.8
155.01031	6.8
166.27327	0.7
198.05266	1.1
216.06300	2.1
239.23730	2.0
282.27905	12.3
308.38736	0.6
313.27368	100.0
314.27841	1.9
393.23999	5.2
436.28262	1.8
450.83075	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	455.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42577	0.6
67.17924	0.7
69.33610	4.3
69.34017	2.1
77.37492	0.6
85.02914	1.3
85.39877	0.6
87.68052	0.7
93.01369	0.6
98.21513	1.0
98.97579	0.9
111.56713	0.8
112.89608	7.4
149.01134	0.9
177.00777	0.8
185.80099	0.7
219.07178	0.7
231.07016	0.6
245.05099	0.9
271.58841	0.8
321.10260	3.6
337.10083	0.8
375.16394	0.8
455.11606	100.0
456.11859	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	455.1523
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
57.97124	0.3
59.91484	0.3
67.18102	0.4
67.49086	0.4
67.67210	0.3
69.03421	1.2
70.06596	1.5
71.48951	0.4
81.03420	0.7
84.08136	1.0
85.02903	2.2
86.09698	0.5
87.04504	0.4
91.05481	2.3
93.07056	0.3
95.04961	0.5
97.02893	1.2
98.97610	0.3
102.01057	0.3
104.64455	0.3
105.07034	0.9
119.01936	0.5
123.04425	0.4
124.07604	0.7
127.03959	0.3
133.06488	0.9
136.07597	1.2
145.05016	0.5
145.06363	0.3
147.05525	0.6
151.04018	0.3
152.07103	0.4
161.02956	0.7
161.06000	1.2
164.07103	1.4
173.02968	0.9
177.05617	0.4
197.02814	0.6
239.57874	0.3
245.05104	1.3
261.07523	0.4
275.13885	0.4
293.09866	1.1
293.15259	0.9
311.09720	0.5
455.15250	100.0
456.15439	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	455.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01851	0.3
57.03206	0.3
57.03437	3.0
61.02958	0.3
61.53666	0.3
64.93896	0.3
65.03938	0.4
69.03417	1.0
69.88174	1.2
70.06593	0.7
71.04994	22.2
73.02906	0.8
75.04472	1.2
81.03427	0.5
82.48882	0.3
83.04967	2.3
85.02905	26.1
86.09733	0.4
87.04456	0.9
88.64759	0.3
91.43908	0.3
93.35392	0.3
95.04956	0.6
97.02882	0.8
98.21427	0.5
98.97598	0.3
104.04972	1.9
109.02850	0.4
111.04437	0.8
127.03913	0.7
129.04527	0.7
129.05475	9.7
130.02898	0.7
136.07529	0.8
145.04863	0.4
147.05531	100.0
148.05894	1.0
150.38712	0.3
154.08574	0.3
163.03911	0.6
199.96196	0.3
237.02864	0.5
275.10327	0.3
293.11542	0.7
297.54245	0.3
365.26346	0.3
374.42068	0.3
388.36142	0.3
455.15369	0.7
455.61194	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	455.2253
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
55.05478	0.7
56.96522	0.4
63.30506	0.4
64.84731	0.4
67.05453	1.5
69.03408	0.9
69.07038	0.9
70.01000	1.5
70.06615	1.8
74.06068	0.6
79.05470	0.5
81.07060	1.9
83.08576	0.6
84.08099	1.0
86.09661	0.4
91.05463	0.9
93.06999	1.4
95.04930	0.5
95.08565	1.4
97.06501	0.9
98.21498	0.5
100.11175	0.5
105.06995	1.4
107.04936	0.6
107.08549	1.8
109.06456	0.5
109.10123	1.4
112.65514	0.4
119.08541	1.2
121.10080	1.4
123.11657	0.5
129.10222	0.7
130.28435	0.4
131.08495	0.5
133.10063	0.8
135.11592	0.5
137.09581	0.7
137.29062	0.4
143.08537	0.6
145.10054	0.6
147.11702	0.5
151.05435	0.4
157.10127	0.7
163.03891	0.5
165.09132	3.7
175.10973	0.5
185.04266	0.6
258.44550	0.4
293.17227	100.0
294.17685	2.1
437.34198	0.4
445.84750	0.4
455.22546	82.2
456.22809	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	455.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30713	1.3
53.03939	5.3
53.24915	1.2
55.01876	10.3
55.05510	100.0
56.05033	1.3
56.96556	3.0
57.03191	1.7
57.03437	15.2
57.07064	3.0
59.04986	5.1
61.02918	2.0
65.03919	4.2
67.05503	60.1
69.03426	18.2
69.07068	32.7
70.06573	4.8
70.45529	1.5
70.45876	5.1
71.04996	10.1
71.05643	1.3
73.02910	1.9
77.03925	1.5
79.05491	59.9
81.03414	62.7
81.07053	74.3
82.07378	1.6
83.04978	24.8
83.08617	67.1
84.08143	4.0
85.02905	37.4
85.06541	5.9
86.09671	1.5
87.04462	2.0
91.05479	56.2
92.05812	2.5
93.07043	49.7
95.04385	2.7
95.04963	33.9
95.08606	44.7
97.02892	6.6
97.06526	16.0
97.10166	92.1
98.10466	1.7
99.04444	2.4
99.08096	2.5
101.06011	2.8
101.09666	3.4
103.02337	1.4
103.05454	2.8
105.07032	53.0
107.04945	11.6
107.08591	63.7
108.08893	1.8
109.06512	13.0
109.10155	33.7
111.04417	5.2
111.08082	53.6
111.11738	2.2
113.06011	5.2
115.05441	3.3
117.07034	11.8
119.04916	2.6
119.08579	47.9
121.06468	4.3
121.10139	32.4
123.08102	7.2
123.11707	13.5
125.02336	2.2
125.06025	1.6
125.09628	79.1
125.18476	1.4
127.03913	2.4
128.06216	4.0
129.06996	17.4
129.10178	2.5
131.08566	31.6
133.06451	4.2
133.10127	26.3
135.04280	1.9
135.08072	10.4
135.11665	11.5
137.09579	4.4
137.13243	3.2
139.11174	3.4
141.06929	2.6
142.07791	6.9
143.08559	11.1
143.10632	7.2
144.09337	1.7
145.06587	1.6
145.10126	26.8
147.08017	6.3
147.11703	30.2
149.09596	9.5
149.13222	6.1
151.03891	4.2
151.07535	2.2
151.11185	5.5
153.09065	5.9
153.12730	1.9
155.08554	6.8
156.09319	2.6
157.10129	30.1
158.10793	1.8
159.04501	1.5
159.08070	4.8
159.11694	26.9
159.12935	2.9
161.05983	1.6
161.09581	4.6
161.13266	12.2
162.02122	1.8
163.03882	4.8
163.11238	6.9
163.14816	5.3
165.05492	2.6
165.09087	9.1
165.12747	4.9
167.08528	1.3
169.10124	8.1
171.10155	4.1
171.11676	13.3
173.09627	1.4
173.11821	2.7
173.13237	14.0
175.07536	2.1
175.11171	16.6
175.14798	6.9
177.09067	2.6
177.12740	2.1
177.16386	4.0
179.14265	2.1
181.10124	2.7
183.11682	10.0
185.13217	10.7
187.11217	2.3
187.14801	11.1
189.09415	2.9
189.11212	58.2
189.12712	3.6
189.16428	6.9
191.10678	2.0
191.14285	3.5
191.17955	3.4
193.12236	69.1
194.12573	1.8
195.11673	6.4
196.12543	1.6
197.13206	8.0
199.14815	9.4
201.12627	3.4
201.16325	8.2
203.10663	2.0
203.17981	3.6
205.12262	2.2
205.15846	5.2
209.13245	6.2
211.13249	83.1
212.13663	2.8
213.16232	7.0
215.14320	2.5
215.17950	5.5
217.12299	1.8
217.15930	3.9
219.17427	3.5
221.13269	2.2
223.14809	3.4
225.16434	3.8
227.09303	1.8
227.12746	38.0
227.17799	2.9
229.12202	2.0
229.19452	2.2
231.17410	2.3
235.14832	1.9
237.16365	2.8
239.18011	4.0
241.15915	2.6
241.19479	1.6
243.17332	1.9
245.13797	5.6
249.16437	1.9
251.17924	5.5
253.19545	4.0
255.21175	2.7
257.18939	2.8
261.18622	1.7
265.19519	2.9
267.15909	8.1
267.20999	2.7
271.20444	2.8
283.20554	2.5
285.10034	1.9
285.17023	1.8
285.21930	3.0
287.20053	3.4
293.13898	2.3
321.25836	2.6
339.26785	2.5
349.28806	2.7
353.28101	1.8
357.27908	4.9
361.28656	1.7
367.29877	2.6
379.29987	2.6
389.32092	1.7
401.32071	3.0
407.33002	6.0
419.24472	2.3
419.33221	13.9
425.33847	3.1
437.25055	4.8
437.34363	32.7
455.26288	85.9
455.35123	41.7
456.26871	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	455.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01883	10.6
55.05509	96.9
56.96564	3.2
57.03431	13.3
57.07073	3.3
59.04998	6.4
60.28960	1.3
65.03944	1.9
67.05502	64.0
69.03427	14.8
69.07067	20.1
69.74823	4.4
69.75246	5.3
70.06606	3.7
71.04986	8.6
79.05028	2.0
79.05492	55.6
81.03416	75.6
81.07050	59.3
83.04977	23.0
83.08617	68.6
84.08119	1.8
85.02899	36.9
85.06535	5.0
86.42351	1.4
87.04482	2.9
88.69428	1.6
91.05474	45.6
93.07044	34.5
95.04961	31.7
95.08601	28.9
95.09187	2.4
97.02893	5.9
97.06539	11.0
97.10165	100.0
98.10506	1.4
99.04487	2.2
99.08095	3.7
101.06071	1.8
101.09639	2.8
103.05468	3.7
105.07030	36.9
107.04957	7.7
107.08587	48.2
109.02844	2.3
109.06528	8.9
109.10152	24.7
111.04430	4.5
111.08082	17.5
113.06025	5.6
115.05459	3.1
117.07025	6.0
119.08576	32.4
120.04482	1.4
121.06513	3.9
121.10146	16.1
123.08101	5.4
123.11726	6.7
125.06053	2.0
125.09624	79.6
126.09985	1.7
127.03925	2.1
128.06195	2.3
129.06982	13.0
131.08571	15.1
133.06485	3.2
133.10127	17.9
135.08051	10.7
135.11661	7.5
137.06007	2.0
137.09592	7.6
137.13307	3.0
139.03868	1.5
139.11208	2.0
142.07773	4.4
143.08559	4.2
143.10683	3.9
145.10126	8.9
147.04411	1.4
147.08080	4.9
147.11671	20.4
149.06055	1.8
149.09573	9.5
149.13246	4.6
151.11137	3.5
153.09090	5.2
153.12704	2.0
155.08527	3.0
157.10126	17.4
159.08093	2.0
159.11711	6.3
161.06064	2.8
161.09666	3.4
161.13315	3.1
163.03900	1.8
163.11208	4.3
163.14803	1.4
165.09070	3.7
165.12762	3.6
171.10228	3.9
171.11711	4.1
173.06229	1.8
173.09756	2.0
173.11754	4.4
173.13231	3.8
175.11168	15.4
175.14818	4.0
177.05553	3.6
177.12794	2.8
179.14331	2.1
181.10109	1.6
185.13260	2.4
187.03824	13.2
187.14780	2.1
189.11215	67.1
191.10555	1.8
193.12239	65.6
197.06062	1.8
199.07516	2.2
201.16379	2.5
203.10635	2.9
203.17972	1.5
209.11665	2.8
211.13271	76.9
213.05533	4.3
217.15897	3.4
227.12767	39.7
227.14972	2.6
239.18146	1.5
241.04997	2.0
245.13925	6.8
255.10069	4.0
263.35730	1.7
267.15924	13.4
271.20709	2.0
275.19666	1.9
285.10336	1.8
285.17062	1.9
293.21164	4.9
301.16907	1.7
419.33090	2.6
437.25421	10.2
437.34387	4.4
455.26379	85.7
455.31653	5.7
455.35837	4.5
456.26901	4.0
471.05350	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	455.3519
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
50.63163	2.5
51.73209	2.5
53.03945	3.9
55.01884	4.0
55.05511	33.2
56.96569	11.4
57.03428	4.6
57.07069	13.6
59.05003	5.0
65.03934	4.2
65.58822	2.3
67.05186	4.3
67.05509	46.0
69.03428	3.8
69.07068	46.7
69.48900	22.1
70.06585	6.6
71.04992	4.5
77.03948	3.6
78.37790	2.4
79.05495	33.5
81.07060	76.4
83.04993	11.6
83.08630	22.0
84.08133	2.7
85.02913	4.0
85.06548	5.7
91.05492	29.4
93.06535	2.0
93.07046	66.2
95.04980	12.7
95.08611	100.0
97.06549	25.5
97.10159	12.5
105.06336	3.3
105.07035	62.1
107.04956	4.2
107.08596	82.4
109.06511	8.8
109.10159	58.8
111.08057	8.2
111.11736	2.9
117.07006	18.0
119.08588	66.9
121.06522	6.1
121.10151	67.5
123.08076	10.7
123.11709	33.1
125.09627	5.4
127.11270	2.5
128.06233	5.1
129.07007	9.6
130.07802	3.2
131.08568	47.3
133.06558	4.6
133.10146	52.1
135.08066	7.6
135.11693	34.9
137.06015	3.2
137.09622	10.0
137.13255	17.9
139.07590	3.1
139.11203	4.8
141.06934	4.1
142.07802	5.1
143.08557	29.4
144.09354	3.6
145.06516	3.0
145.10127	50.3
147.08069	4.1
147.11693	33.8
149.01254	3.5
149.09593	8.3
149.13251	40.1
151.11110	3.8
151.14816	7.3
155.08575	15.6
156.09317	6.0
157.10127	41.3
158.10909	2.9
159.11693	43.4
161.09608	6.5
161.13266	27.2
163.11189	8.6
163.14888	15.5
165.07024	3.9
165.09096	4.2
165.12744	6.6
165.16414	3.0
167.08557	5.4
168.09294	2.8
169.10120	22.7
171.11711	38.5
173.09705	4.4
173.11806	5.3
173.13286	24.6
175.11209	8.1
175.14853	17.4
177.08954	2.5
177.12738	5.6
177.16322	15.8
179.08467	2.9
179.14293	2.5
181.10176	13.3
182.10860	3.1
183.11720	25.6
185.13258	22.7
187.11226	4.5
187.14836	20.2
189.12743	4.3
189.16397	16.7
191.14386	5.7
191.18018	9.8
193.10181	4.8
193.12164	3.2
194.10841	4.8
195.11713	10.5
196.12515	5.1
197.13289	20.2
198.14082	2.8
199.14798	15.6
201.12750	3.2
201.16411	24.2
203.14421	5.2
203.17992	16.4
207.11754	5.3
207.13676	3.7
209.13348	13.0
210.13931	2.9
211.14830	11.3
213.16380	34.8
215.14320	7.1
215.17976	12.2
217.07452	4.6
217.15891	7.1
217.19518	5.6
219.17433	9.5
221.15224	3.3
222.13899	3.1
223.14841	11.8
225.12862	3.1
225.16469	12.7
227.17986	7.2
229.16141	3.5
229.19539	8.4
231.17494	23.1
233.15483	3.4
233.18996	3.1
235.14900	3.4
236.66266	2.8
237.16403	9.1
239.17934	11.6
241.07594	4.5
241.16016	6.2
243.17532	4.7
243.21129	5.3
249.16495	3.3
251.17903	3.6
252.09439	3.9
253.19513	16.5
255.17451	5.5
255.21062	3.8
257.18936	14.1
259.08722	9.5
261.16174	3.0
263.18079	4.3
265.19580	7.4
267.17432	8.1
267.21109	6.2
269.19025	6.2
269.22745	3.5
271.08679	4.2
271.20755	6.1
273.18466	5.7
275.20276	6.3
279.21024	3.9
281.19019	9.6
283.20563	9.9
285.18588	4.8
287.20157	3.2
292.12405	4.2
293.13205	17.0
295.20627	3.8
299.20316	4.0
317.21432	4.6
347.15454	8.1
347.59863	3.1
355.15173	6.2
365.16165	18.8
377.28336	3.3
383.17480	11.1
389.32007	8.3
391.34088	3.4
401.32126	8.2
407.33057	49.7
419.33096	59.5
420.33292	5.5
425.34106	11.5
437.34216	85.1
438.34515	6.6
455.26132	5.8
455.35352	75.9
456.35483	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
53.03925	2.3
55.01868	3.0
55.05509	12.4
57.03409	1.4
57.07067	6.7
58.71596	1.0
59.04994	1.7
60.99044	1.1
65.03951	1.6
66.63880	1.2
67.05500	27.2
69.03431	2.7
69.07069	21.1
70.06583	2.5
70.45186	3.9
71.05002	2.1
71.08666	1.3
78.31487	1.1
79.05492	16.8
81.03415	2.4
81.07055	34.4
83.04980	4.0
83.08628	9.4
85.02908	1.5
85.06533	3.5
91.05483	17.5
93.07040	30.2
95.04961	5.2
95.07993	2.7
95.08600	40.7
97.06534	3.8
97.10175	3.8
99.08115	3.2
105.07026	32.3
107.04962	2.9
107.08591	69.1
109.06506	4.4
109.10149	35.0
111.08091	4.8
113.09602	1.2
117.07011	5.4
119.08582	37.7
121.06501	21.0
121.10139	47.5
123.08067	5.3
123.11699	18.8
125.09633	4.0
128.06166	2.1
129.07005	3.0
130.07858	1.6
130.40295	1.2
131.08553	16.5
133.06514	6.4
133.10120	29.3
135.08032	8.5
135.11694	17.1
137.09612	3.9
137.13255	21.1
139.11186	2.5
142.07780	4.0
143.08569	8.5
144.09309	1.2
145.10117	16.8
147.08041	8.6
147.11676	16.0
149.09634	5.2
149.13255	18.7
151.11192	6.8
151.14803	3.7
153.12767	2.3
155.08569	5.6
156.09317	3.5
157.10115	15.5
159.08073	2.4
159.11696	15.6
161.09630	7.8
161.13257	13.9
163.11188	3.5
163.14821	28.4
163.16151	2.0
165.07057	1.4
165.09154	1.4
165.12758	1.8
167.08498	1.8
169.10129	9.8
170.10890	1.7
171.08177	2.4
171.11684	18.6
173.05972	1.6
173.09660	3.4
173.11774	2.3
173.13283	12.0
175.11227	3.6
175.14795	13.3
177.12775	1.5
177.16391	3.1
179.03432	1.7
179.14320	2.1
181.10085	3.2
181.12355	1.3
182.11026	1.7
183.11714	11.7
185.09641	2.0
185.13211	11.6
187.11224	2.7
187.14815	11.4
189.12772	3.4
189.16406	4.5
191.10684	1.7
191.14311	1.9
193.10207	2.7
193.15810	1.9
195.11658	7.0
196.12424	1.8
197.13232	8.6
199.11208	2.8
199.14867	6.4
201.12767	2.9
201.16451	4.5
203.14337	1.5
203.17970	3.2
205.15836	1.9
207.11725	3.3
208.12650	1.7
209.13286	5.5
210.13986	1.3
211.14795	7.4
213.05415	1.4
213.12848	2.6
213.16371	6.1
215.14413	1.3
215.17989	3.9
217.15903	2.9
217.19598	2.2
221.13293	3.1
222.14117	1.3
223.14894	5.5
224.15636	2.1
225.16447	3.5
227.14455	2.0
227.17831	8.1
229.19557	1.9
235.14891	2.4
237.16426	3.1
239.17929	7.3
241.15915	2.0
241.19472	5.8
245.19034	2.2
247.16960	7.1
249.16357	1.6
251.17935	4.7
253.19444	6.3
255.17445	1.9
255.21144	1.6
257.19052	7.5
259.20645	3.2
261.18570	1.9
263.18085	1.8
265.19461	7.7
267.21078	3.0
269.19025	4.1
269.22693	11.6
271.20529	2.4
273.18546	4.3
275.20157	4.2
279.21207	3.9
283.20514	7.7
285.22116	3.4
287.20148	10.2
293.21265	3.5
297.22137	2.9
299.20175	1.4
301.21661	2.4
303.19571	1.4
333.25555	1.5
349.25220	1.7
349.29156	2.6
351.26636	1.7
363.26816	4.4
376.28241	1.2
377.28427	4.1
391.33588	2.8
395.22635	2.4
395.29333	5.9
401.32034	6.1
409.34534	6.6
413.30429	10.2
419.22095	1.6
419.33090	37.0
420.33527	2.0
437.34177	50.4
438.34558	1.7
455.25400	3.1
455.35223	100.0
456.35779	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	455.3521
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
53.03954	3.3
54.11097	1.4
55.01867	3.3
55.05513	18.6
57.03442	2.4
57.07074	6.6
58.97665	1.4
59.05001	5.3
59.58831	1.4
65.03934	1.7
67.05504	32.2
69.03410	3.4
69.07067	27.9
70.06575	2.0
70.08184	3.2
70.08566	6.2
71.04992	3.7
72.33344	1.4
74.00488	1.6
77.03902	1.9
79.05491	25.2
79.05931	2.6
80.52725	1.6
81.03402	3.5
81.07057	49.4
83.04979	4.7
83.08630	11.6
85.02896	1.7
85.06573	2.7
86.09637	1.9
87.83553	1.8
91.05482	30.7
93.07045	50.9
95.04965	10.4
95.08608	53.7
95.09194	3.1
97.06515	8.8
97.10166	6.1
99.08099	2.7
103.05515	1.7
105.07029	51.2
105.07703	2.5
107.08593	64.2
109.06512	8.7
109.10154	43.3
109.10852	2.5
111.08092	5.7
115.05463	2.9
117.07014	11.8
119.08588	61.6
120.08141	1.4
120.08971	1.9
121.06533	5.2
121.10139	45.8
123.08081	8.3
123.11719	22.7
125.09655	5.9
127.07590	1.9
128.06248	3.8
129.07036	6.6
130.07864	3.2
131.08559	25.9
133.10135	44.9
133.11116	3.1
135.08101	5.7
135.11687	31.7
137.09637	4.9
137.13249	9.5
139.11180	4.4
141.06984	3.9
142.07794	6.6
143.08583	18.1
144.09343	3.8
145.10130	39.4
146.96117	1.5
147.08067	3.5
147.11696	36.9
149.09605	4.4
149.13280	16.4
151.11217	6.9
155.08575	9.2
156.09355	8.8
157.10121	31.8
158.10913	2.6
159.11702	38.9
161.09695	2.2
161.13248	25.7
163.11246	3.7
163.14825	11.5
165.06956	2.4
165.09120	4.6
165.12764	11.9
167.08585	2.0
168.09364	3.7
169.10132	18.8
170.10936	4.5
171.11684	29.9
173.11823	2.9
173.13239	31.0
175.11256	1.9
175.14828	25.5
177.12819	5.4
177.16418	5.0
179.14372	5.7
181.08755	1.8
181.10194	6.7
181.12314	1.9
182.10992	4.0
183.11676	20.3
184.12491	3.5
185.13239	33.3
187.11130	2.7
187.14825	21.8
189.11214	1.9
189.12811	3.0
189.16402	8.2
191.14314	10.2
193.12207	1.5
193.15967	4.8
194.11006	2.7
195.11737	8.9
196.12450	3.8
197.13268	17.8
198.14052	2.1
199.14821	18.7
201.16367	14.3
203.14386	3.4
203.17996	4.9
205.15936	5.6
207.11771	5.0
209.13324	10.3
211.14876	13.8
212.15891	2.0
213.16328	15.7
214.16885	1.6
215.14346	1.7
215.17923	8.0
217.15883	3.9
221.13237	3.2
223.14856	9.4
224.15741	3.5
225.16367	13.1
227.17978	16.3
229.19615	6.3
235.14801	2.7
235.16928	3.9
236.15735	2.3
237.16359	9.9
238.17117	2.2
239.17932	11.5
241.19482	16.5
243.17593	2.6
243.21039	3.8
245.19058	5.6
249.16466	1.9
251.18030	4.3
253.19499	11.9
255.10249	2.1
255.21133	11.1
257.19070	5.6
257.22574	3.6
259.20627	10.8
263.17929	2.2
265.19482	7.7
267.21140	7.4
269.19238	3.4
269.22690	7.5
271.12372	1.8
271.20572	10.9
273.22266	5.7
275.20245	2.8
279.21152	6.9
281.19339	1.8
281.22787	5.6
283.20596	13.2
285.22086	10.2
287.20258	2.1
287.23679	3.3
293.22763	3.3
295.20541	2.0
297.22189	9.3
301.21616	10.0
305.22650	2.7
307.24426	2.4
309.22446	2.0
311.23730	2.5
315.23096	3.9
319.24542	2.1
321.25839	4.7
323.23663	1.8
333.25879	3.3
335.27264	11.0
339.26889	3.5
349.25354	2.7
351.26779	2.2
353.28430	8.1
361.29019	4.6
363.26990	3.8
375.30411	2.0
379.30365	3.7
391.33661	5.8
401.32065	14.7
407.33386	2.4
409.34671	9.9
414.93134	2.0
419.33093	66.5
420.33356	3.4
427.35773	2.2
437.34186	100.0
438.34589	3.5
455.25943	4.6
455.35312	83.5
456.35483	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	455.3518
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
52.64414	2.4
53.03943	8.0
55.01860	11.9
55.02098	2.4
55.05243	5.0
55.05510	97.9
57.03436	16.0
57.07075	4.8
59.05006	6.4
65.03944	5.7
67.05505	78.3
69.03419	15.9
69.07070	46.8
69.26708	2.6
69.72234	6.4
69.72653	11.4
70.06578	8.2
71.04980	14.5
71.23261	2.4
73.02927	2.5
73.06524	2.8
74.06055	2.8
74.82466	2.4
77.03882	3.6
79.05494	64.2
81.03421	57.2
81.07059	96.0
83.04979	22.2
83.08166	5.2
83.08616	58.8
83.34268	2.3
83.43607	2.5
84.08125	4.6
84.78145	2.8
84.95992	3.0
85.02900	27.5
85.06537	8.1
88.79112	2.6
91.05482	73.1
93.07044	82.6
95.04971	37.0
95.08608	76.9
97.02877	8.0
97.06524	21.3
97.10169	84.9
98.21508	4.9
99.08063	4.4
103.05444	4.5
105.06331	4.1
105.07030	80.1
107.04942	8.7
107.07898	5.7
107.08591	92.4
107.36423	2.7
107.60187	2.4
109.02892	2.8
109.06532	25.0
109.10147	57.3
111.04409	4.9
111.08078	94.7
115.05504	2.5
117.06999	20.6
119.04993	3.1
119.08577	81.7
121.06525	8.0
121.09348	4.6
121.10146	52.0
123.08038	11.8
123.11702	18.5
125.02353	5.7
125.08797	5.8
125.09631	75.0
127.03893	4.1
128.06213	6.6
129.07021	19.3
130.07774	4.5
131.08562	47.6
131.14523	2.8
133.06516	6.8
133.10117	51.4
135.04404	5.0
135.08107	13.1
135.11687	31.1
137.09593	9.9
137.13234	8.0
139.11243	3.2
141.06969	3.6
142.07773	8.1
143.08553	29.8
143.10698	3.0
145.06506	3.6
145.10126	55.5
147.08028	7.7
147.11673	43.6
149.05905	4.8
149.09657	13.0
149.13266	15.4
151.03908	7.4
151.11172	8.5
153.05502	3.5
153.09117	6.4
155.08549	15.3
156.09360	4.1
157.06497	4.9
157.10136	47.1
159.08069	8.2
159.11696	57.0
159.12924	2.0
161.09644	6.4
161.13274	23.9
163.11208	5.7
163.14818	11.2
165.09093	15.0
165.12759	7.9
169.10118	12.1
170.10931	4.2
171.11626	18.6
172.12396	3.0
173.13229	26.0
175.11176	18.3
175.14856	16.0
177.09120	7.4
177.12740	6.1
177.16344	8.8
181.10097	6.7
181.12318	3.6
182.10973	3.6
183.11710	16.4
185.13245	26.0
187.11119	4.6
187.14841	22.1
189.11223	49.7
189.12796	5.7
189.16412	17.1
190.11578	4.5
191.14244	5.9
191.17931	4.8
193.10393	5.8
193.12228	61.0
193.15971	3.2
195.11646	12.3
197.13251	11.7
199.11134	2.9
199.14880	21.4
201.12648	5.8
201.16383	20.2
203.10712	3.7
203.14240	4.6
203.18001	11.9
205.12155	2.8
205.15874	7.9
207.11705	4.1
207.17392	3.8
209.13249	12.2
210.13931	3.3
211.11191	2.6
211.13231	68.2
211.14876	7.1
213.16371	11.8
215.17970	12.1
217.15877	9.6
219.17413	8.9
221.13220	4.5
221.15306	4.2
223.14784	6.7
225.16353	10.2
227.12810	29.6
227.17998	9.3
229.12256	8.7
229.16051	3.2
229.19513	3.9
231.17436	7.4
233.19028	4.0
237.16348	6.6
239.17946	9.3
241.19447	7.4
245.13797	7.5
245.18967	4.0
251.17946	5.0
253.19455	6.0
255.17625	3.2
257.11502	2.9
257.19067	4.0
265.19437	5.3
267.15802	7.2
267.21097	6.8
269.18964	8.2
271.20612	5.8
275.12985	3.2
275.20215	3.6
279.21021	3.7
281.22598	4.4
283.20483	3.6
285.22055	4.5
287.20242	5.4
293.14035	4.0
295.20758	3.7
295.24225	4.1
309.25717	5.0
311.23758	3.7
321.25726	4.8
339.26660	5.6
349.29007	4.7
357.27856	9.2
361.28851	3.9
367.29907	4.0
379.29929	6.5
383.29575	4.5
401.31732	5.9
407.32965	10.6
409.34296	4.5
419.33188	31.8
425.34030	6.4
437.24969	6.0
437.34204	61.9
455.26270	77.0
455.35110	100.0
456.26749	5.9
456.35510	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	455.3518
Annotation	Embelinone
Peak:m/z	Relative Intensity
55.05501	2.8
57.07061	2.3
59.04996	0.8
61.18100	0.7
67.05496	2.7
69.07079	3.6
71.13075	0.7
71.34519	1.5
79.05482	3.4
81.07049	5.4
82.82285	0.7
83.04968	1.0
83.08622	2.7
85.06544	1.7
91.05474	3.6
92.91259	0.6
93.07060	6.5
95.08601	7.2
97.06523	1.2
104.95052	0.7
105.07003	6.7
107.08586	10.1
109.06532	2.3
109.10162	5.6
111.08086	1.0
112.82146	0.7
112.86017	0.7
117.07011	1.1
119.08586	8.8
121.10134	7.0
123.08103	1.4
123.11691	5.6
131.08548	6.6
133.10123	8.3
135.08083	1.5
135.11702	3.8
137.09579	1.9
137.13268	2.3
143.08560	3.5
145.10129	7.0
147.11676	3.0
149.09572	0.9
149.13252	1.8
151.11166	10.4
153.12720	4.4
155.08626	1.9
157.10114	5.7
159.08118	0.8
159.11697	5.4
161.12094	1.0
161.13263	6.0
163.14809	0.8
163.30455	0.8
165.12759	1.9
169.10120	2.1
171.11685	6.0
173.13274	5.2
175.14836	1.8
177.12735	2.1
179.14308	4.2
183.11700	4.7
185.13284	3.1
187.14832	1.0
191.14294	1.3
191.17990	1.5
193.12337	0.9
197.13264	5.4
199.14815	2.6
201.16399	1.8
207.17488	0.7
209.13257	1.7
211.14899	2.5
213.16432	1.6
223.14809	1.5
225.16481	1.4
237.16438	1.0
239.17958	1.3
251.17949	4.0
253.19476	3.2
257.18848	0.9
259.20612	1.0
267.21118	6.9
271.20572	1.2
279.20972	1.1
283.20520	1.0
285.22180	2.1
297.22110	1.2
323.23569	1.1
329.24933	0.9
419.33218	5.3
437.34216	2.5
455.35199	100.0
456.35544	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	455.3518
Annotation	Embelinone
Peak:m/z	Relative Intensity
52.37349	0.3
55.05498	1.4
56.74644	0.3
57.07063	1.5
67.05501	2.4
69.03400	0.4
69.07068	2.5
71.01861	0.5
71.02189	0.7
75.11266	0.3
78.09780	0.3
79.05488	1.5
81.07048	3.3
83.04957	0.5
83.08605	1.0
85.06545	0.6
91.05471	2.2
93.07032	3.9
95.04945	0.9
95.08601	5.8
97.10163	0.6
103.94048	0.3
105.07002	3.7
105.07616	0.4
107.08582	6.2
107.09242	0.7
109.06505	0.6
109.10148	3.6
111.08081	0.8
117.07008	0.9
119.08568	5.7
121.06468	1.7
121.10131	6.7
123.08067	1.0
123.11717	2.2
129.06992	0.7
131.08574	2.6
133.06496	0.4
133.10114	4.1
135.08038	1.9
135.11679	3.6
137.09619	1.0
137.13228	1.1
139.11148	0.7
143.08540	1.4
144.09283	0.6
145.10110	4.8
147.08067	1.0
147.11674	3.0
149.09602	1.6
149.13257	1.3
154.79607	0.3
155.08548	0.5
157.10115	2.7
158.10912	0.4
159.08080	1.0
159.11688	4.5
161.09627	1.3
161.13255	2.1
163.11169	0.9
163.14737	0.5
165.12753	0.6
169.10156	0.7
171.11665	2.5
173.09550	0.7
173.13252	2.0
175.11206	0.8
175.14830	1.4
177.16423	0.7
183.11673	0.8
184.62273	0.4
185.13277	1.6
187.11040	0.5
187.14812	1.4
189.12682	0.9
189.16357	1.1
193.15935	0.4
197.13258	1.1
199.11119	0.5
199.14763	1.9
201.12727	0.8
201.16374	2.4
203.14301	0.5
203.18030	0.7
209.13327	0.8
213.16432	1.2
215.14381	0.7
215.17940	1.5
217.15926	0.7
223.14926	0.4
227.17909	0.7
239.17809	0.4
241.19849	0.4
243.17461	0.8
251.17894	0.5
255.21149	0.6
257.19104	0.7
275.20117	0.9
283.20486	0.8
285.21844	0.4
287.20148	0.5
301.21552	2.2
315.23157	1.4
419.33139	1.1
437.34097	2.2
455.35178	100.0
456.35522	4.2
467.73709	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	455.3519
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05518	15.5
57.07061	7.1
67.05518	13.3
69.07069	10.1
69.86522	12.2
71.08595	3.1
79.05470	7.7
81.06672	2.3
81.07055	25.5
83.08611	7.5
85.06480	2.4
85.10175	3.4
91.05460	5.8
93.07026	13.6
95.08607	24.8
97.06506	3.3
97.10143	8.6
99.08073	2.3
100.05174	2.3
105.07020	13.4
106.57426	2.1
107.08601	22.9
109.10149	19.7
111.08010	3.0
119.08583	23.0
121.06532	2.8
121.10145	16.3
123.07999	2.5
123.11702	8.1
125.05953	4.4
125.09584	6.7
130.24341	2.0
131.08585	3.4
133.10136	19.8
134.84966	1.9
135.08035	3.7
135.11693	22.5
137.09567	2.3
137.13220	4.3
141.94868	2.6
143.08560	3.2
145.10101	11.7
147.11696	13.1
149.09621	2.6
149.13268	13.2
151.11159	4.4
151.14856	2.9
157.10141	4.9
159.08185	2.4
159.11670	9.1
161.09596	2.6
161.13217	6.9
163.11197	2.1
163.14772	5.8
169.10023	2.1
171.11685	5.6
173.09601	8.0
173.11812	2.7
173.13255	7.2
175.11153	8.0
177.09149	3.1
177.16333	2.3
185.13304	2.2
187.11165	10.7
187.14771	9.7
189.16377	34.0
191.10603	2.7
197.13242	4.9
205.15904	5.0
207.17432	74.2
208.17786	2.2
211.14801	4.9
213.16324	3.4
215.14287	13.8
215.17812	2.6
229.15883	66.3
231.17372	8.9
233.15352	26.1
241.19667	2.2
243.17325	4.0
247.16949	23.8
257.18903	3.4
275.17712	2.1
283.20615	5.0
297.22113	2.9
419.32904	3.8
437.34189	50.5
455.35168	100.0
456.35239	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	455.3518
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
53.03920	2.2
55.01868	2.5
55.05507	20.5
57.03433	2.9
57.07071	6.2
65.03925	2.5
67.05502	36.6
69.03408	3.2
69.07063	27.2
69.48680	4.9
69.49097	10.9
69.84341	2.1
70.06584	2.4
71.04993	3.9
79.05489	26.4
81.03416	3.3
81.07053	62.9
83.04983	4.1
83.08614	12.3
85.02896	3.2
85.06546	3.0
91.05473	34.2
93.07038	56.1
95.04961	8.4
95.08602	99.2
97.06548	10.7
97.10172	7.8
98.21573	2.0
105.07022	65.9
107.08589	58.1
109.06532	6.7
109.10155	49.9
111.08067	3.3
113.09647	7.7
115.05486	2.7
117.07009	18.5
119.08577	74.1
119.09383	4.5
121.06521	3.0
121.10136	45.5
123.08091	4.9
123.11714	18.7
124.90374	2.1
125.09657	6.8
128.06226	4.7
129.06992	18.8
130.07784	2.7
131.08563	39.2
133.06461	3.0
133.10112	44.5
135.08102	5.6
135.11690	27.8
137.09648	4.1
137.13269	6.9
139.11151	3.3
141.06960	4.8
142.07796	7.2
143.08557	35.0
144.09290	2.2
145.10124	52.2
147.08076	3.9
147.11696	33.7
149.09654	5.1
149.13220	19.1
150.49055	2.2
151.11205	6.6
153.07002	3.0
155.08536	18.0
156.09375	5.9
157.10130	35.0
157.11365	3.4
158.10884	2.3
159.11693	41.6
161.13261	36.5
163.11171	5.0
163.14847	9.6
165.09135	3.4
165.12804	8.1
167.08577	3.6
168.09393	3.1
169.10118	18.5
170.10938	2.9
171.11678	32.0
173.09648	3.0
173.13237	30.4
175.11176	3.4
175.14783	30.8
177.12819	4.7
177.16383	10.9
179.08669	2.4
179.14319	3.0
181.10115	8.6
182.10934	4.8
183.11665	16.3
184.12483	2.4
185.09665	2.5
185.13249	23.8
186.13976	2.2
187.11234	3.0
187.14816	33.9
189.12799	3.7
189.16367	19.7
191.14418	5.2
191.17982	4.6
193.10188	3.9
193.12369	2.3
193.15889	5.1
195.11749	9.3
197.13208	17.2
199.14819	32.7
201.12773	2.6
201.16353	32.5
203.14252	3.8
203.17970	11.2
205.15916	6.6
205.19681	2.2
207.17464	2.7
209.13283	9.4
211.14870	12.4
213.16391	21.6
215.17961	17.1
217.15860	11.8
217.19547	3.8
219.17513	8.8
221.13329	6.5
223.14871	11.7
223.16884	2.9
225.16339	18.6
227.17944	14.6
229.19579	7.3
231.17416	6.5
231.21136	2.7
233.13219	2.3
233.19083	5.3
235.14827	3.4
236.15620	2.8
237.16418	8.8
239.17902	11.8
241.15762	2.5
241.19542	14.8
243.17491	6.7
243.21080	2.3
245.19119	5.7
247.20616	2.7
251.17986	9.2
253.19626	7.2
255.17241	3.3
255.21175	3.8
257.19116	5.0
259.17191	3.1
259.20584	7.0
265.19571	9.1
267.21109	7.1
269.19046	4.8
269.22662	2.6
271.20645	5.4
273.22165	3.4
277.19302	3.9
279.21094	5.5
281.22665	4.0
283.20691	5.5
285.22165	4.2
291.21259	2.2
293.22641	6.1
295.20724	3.0
295.23950	2.5
297.22098	5.1
305.22729	5.1
307.24323	4.0
309.22391	3.7
311.23648	3.4
317.22668	2.6
321.25604	2.9
325.25003	2.8
333.25653	2.9
335.23746	2.6
335.27338	8.7
347.27222	2.9
349.25183	4.6
351.26831	5.7
353.28421	8.9
361.28906	5.4
363.26752	3.6
365.28595	2.8
377.28299	2.7
379.29932	5.4
389.32074	15.3
393.31491	3.9
401.31882	16.5
407.33093	26.7
409.35065	4.1
413.31174	2.3
419.33054	69.2
420.33487	7.5
425.34164	8.7
437.34158	100.0
438.34488	4.1
455.26663	4.9
455.35260	75.1
456.35760	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
55.01863	4.5
55.05511	27.3
57.07056	10.1
63.66117	3.4
67.05502	50.4
69.07070	34.8
70.75986	9.7
71.04996	7.1
71.08622	4.3
72.54155	3.9
79.05490	29.9
81.03401	11.4
81.07054	69.3
83.04955	5.9
83.08608	17.5
91.05474	31.8
93.07034	47.7
95.04932	14.7
95.08601	67.5
97.06512	10.5
97.10153	10.1
99.08102	7.0
105.07027	53.8
107.04920	6.3
107.08589	80.4
109.06517	12.4
109.10153	60.5
111.08074	19.0
113.09586	3.7
113.61332	3.9
115.05423	3.9
117.06981	11.2
119.08570	81.1
121.06480	8.9
121.10129	50.8
123.08050	5.4
123.11697	31.6
125.09592	5.4
128.06200	5.4
129.06999	7.6
131.08563	32.4
133.10129	58.5
135.08070	4.8
135.11682	29.5
137.09622	12.8
137.13263	8.1
139.11163	4.3
141.06924	3.7
142.07704	4.3
143.08507	27.0
144.09326	3.9
145.10124	46.8
146.76759	3.5
147.08057	4.9
147.11685	40.9
149.09634	11.8
149.13287	18.1
151.11169	14.7
155.08545	12.3
156.09340	6.7
157.10101	30.2
159.11696	32.5
161.09563	7.2
161.13190	29.9
163.04053	4.6
163.11182	7.5
163.14832	16.8
165.09142	5.1
165.12730	11.4
169.10146	19.8
171.11693	29.8
173.11853	7.0
173.13235	34.7
175.14877	17.4
177.12775	6.3
177.16354	9.9
179.08510	6.2
179.14279	20.9
181.10117	5.6
183.11713	19.2
185.13252	20.9
187.14772	33.1
189.12732	5.3
189.16397	17.8
191.14235	12.4
191.17860	5.3
193.15785	6.9
195.11641	11.6
196.79228	3.9
197.13281	11.9
197.22778	4.0
199.14804	15.7
201.16400	15.4
203.17984	6.5
205.15900	6.4
207.11714	6.3
207.17398	6.5
209.13321	6.3
211.14812	10.9
213.16374	15.7
215.17932	11.1
217.15829	9.8
221.13153	5.3
223.14781	7.7
225.16330	8.6
227.12720	5.2
227.17986	11.6
229.15892	4.6
229.19498	14.7
231.17397	10.7
235.17020	6.4
237.16431	8.3
239.17992	9.0
241.19542	4.7
243.20950	5.5
245.18935	6.5
251.17953	11.2
253.19492	8.8
255.21130	6.8
257.18918	7.3
259.20508	6.0
265.19458	5.1
267.21097	8.8
269.18936	5.9
269.22885	4.5
271.20593	11.9
273.22028	6.3
275.20087	5.7
279.21002	7.6
283.20428	9.4
285.22070	5.1
293.21063	8.9
297.22116	8.8
307.24094	4.7
323.23749	7.4
363.26599	6.5
367.17953	5.4
391.33945	6.0
401.32071	12.9
407.32874	5.1
409.34732	9.3
419.33054	51.6
437.23602	7.6
437.34155	100.0
455.25919	4.9
455.35394	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	455.352
Annotation	3-Oxoolean-12-en-27-oic acid
Peak:m/z	Relative Intensity
51.04820	1.0
51.51574	1.4
52.73958	1.2
53.00306	1.4
53.15060	1.5
55.01874	1.5
55.05510	12.4
57.07067	7.8
67.05505	17.1
69.03429	8.5
69.07068	10.8
71.05003	1.8
71.08634	4.5
71.49498	1.2
71.49924	1.9
79.05488	10.0
81.07053	20.1
83.04973	2.4
83.08628	10.1
85.10190	2.1
91.05460	8.4
93.07041	16.4
95.04971	1.3
95.08607	30.9
97.06503	5.0
97.10155	6.9
105.07030	15.9
107.07903	2.1
107.08591	28.7
108.40118	1.2
109.02885	1.8
109.06505	1.7
109.10147	22.3
111.08070	3.5
117.07008	1.6
119.08582	23.5
121.06494	5.4
121.10146	21.8
123.08028	4.9
123.11703	8.6
125.09628	9.7
127.07573	1.3
131.08560	5.3
133.10107	18.0
135.08054	4.2
135.11676	13.6
137.09641	3.1
137.13181	2.9
143.08546	2.2
145.10115	10.7
147.11703	14.4
149.09627	4.2
149.13234	7.9
151.11176	2.7
155.08458	1.7
157.10126	5.5
159.11707	8.4
161.09647	1.7
161.13272	9.9
163.11272	1.9
163.14796	4.4
165.12827	1.2
167.14211	1.8
169.10023	2.1
171.11659	2.9
173.09612	1.7
173.11684	3.8
173.13283	6.5
175.11234	2.9
175.14807	9.4
177.16388	7.4
183.11673	2.2
185.13237	2.9
187.14812	7.4
189.12798	1.8
189.16331	13.6
190.13544	3.0
191.17940	3.9
197.13336	1.3
199.14850	3.0
201.12759	1.4
201.16306	6.7
203.14261	2.0
203.17928	21.8
205.15857	10.9
207.17450	3.7
211.14781	1.6
213.16359	3.1
215.14484	1.7
215.17928	4.4
217.15918	2.3
217.19612	2.6
231.17403	3.3
235.16931	2.4
239.17944	2.0
239.23639	2.0
241.19475	1.9
243.17392	2.2
243.21310	1.8
249.18498	2.7
313.27582	1.4
315.23074	4.6
391.33582	2.5
409.34607	12.0
419.33200	3.5
437.34164	10.1
455.35233	100.0
456.35663	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
52.14193	1.5
53.03940	2.7
55.01876	1.8
55.05510	18.7
56.96563	2.5
57.03439	3.3
57.07067	4.4
57.21655	1.7
58.26077	1.4
59.04993	6.0
65.03942	3.4
67.05508	38.5
69.03432	3.0
69.07074	29.0
70.06588	4.7
71.04990	5.6
71.08601	2.0
71.49619	3.1
77.83530	1.6
79.05495	26.8
81.03416	5.6
81.06605	3.3
81.07058	55.6
81.36629	1.8
83.04972	7.3
83.08615	13.7
84.08143	2.6
85.02895	4.3
85.06545	4.1
91.05482	29.4
93.06434	1.6
93.07044	46.7
95.04963	12.8
95.08608	58.7
97.06545	9.6
97.10176	6.8
99.04473	1.7
99.08086	2.5
105.07033	50.2
107.04961	4.1
107.08595	78.4
109.06510	5.5
109.10158	42.6
109.10727	1.1
110.46014	1.4
111.08089	6.0
111.11736	1.5
117.07020	12.6
119.08588	66.2
121.06499	4.6
121.10145	40.9
123.08090	6.9
123.11705	24.8
125.09649	7.0
128.06223	3.2
129.07002	8.0
129.10242	2.3
131.08557	24.4
133.06505	3.7
133.10127	50.5
135.08063	4.7
135.11688	33.4
137.09621	6.3
137.13286	10.0
139.11208	3.4
141.06906	2.8
142.07796	4.4
143.08565	20.3
144.09334	4.5
145.10135	39.5
147.11681	31.0
149.09624	6.2
149.13284	12.4
151.11188	9.1
153.07056	1.7
153.12769	2.6
155.08530	9.0
156.09348	6.5
157.10121	33.4
158.10905	3.2
159.11700	38.0
161.06007	2.0
161.09610	2.5
161.13255	25.6
163.11182	6.2
163.14764	8.2
165.06944	1.8
165.09157	4.3
165.12790	10.5
167.08585	3.0
167.10765	1.8
168.09277	1.7
169.10109	10.8
170.10895	5.9
171.11687	30.4
172.12424	3.0
173.11815	2.4
173.13257	33.7
175.14827	22.4
177.12794	7.7
177.16426	3.0
179.08574	3.6
179.14342	6.6
180.09532	1.6
181.10144	6.5
181.12201	2.6
182.10899	2.8
183.11714	21.1
185.13257	26.2
187.11269	2.7
187.14819	29.6
189.12735	2.5
189.16438	6.4
191.14287	9.0
191.18042	2.0
193.10136	2.7
193.15958	3.8
195.11696	8.5
196.12407	3.6
197.09633	1.7
197.13263	20.2
198.14035	3.1
199.14798	18.4
201.05394	1.8
201.09062	1.8
201.12714	2.0
201.16396	16.6
203.14339	2.4
203.17990	5.1
205.15884	4.4
207.11717	2.8
207.17464	1.8
209.11583	2.4
209.11937	1.5
209.13284	11.0
210.14024	3.5
211.14803	13.9
212.15482	2.4
213.05470	2.4
213.16406	14.0
215.17964	10.0
217.15823	2.2
219.17494	3.6
221.13365	3.8
222.14067	2.5
223.14864	9.1
224.15587	3.1
225.16405	11.4
226.17194	4.2
227.06845	1.7
227.12695	1.9
227.17912	14.9
229.19489	8.4
231.17526	2.0
235.14775	3.2
235.17000	2.6
237.16339	8.2
239.17957	15.2
240.18677	1.8
241.15764	1.9
241.19487	16.0
243.17461	2.4
243.21155	3.2
245.19087	7.1
249.16452	2.5
251.18097	4.9
253.19505	14.0
255.21078	11.1
257.19034	6.2
259.20532	10.7
263.17923	4.5
265.19492	11.8
267.21152	6.5
269.19119	3.7
269.22711	7.6
271.20551	11.1
273.22217	5.6
277.21786	2.3
279.21033	8.2
281.22699	3.4
283.20618	11.5
285.22247	8.0
287.20474	2.8
287.23792	5.0
293.14084	2.0
293.22595	3.9
295.20560	2.2
295.23959	2.0
297.22073	11.0
301.21683	11.2
303.23309	3.1
309.22083	1.7
311.23489	2.2
315.23260	4.5
321.25690	3.7
323.23672	3.2
325.25354	2.3
333.25800	2.2
335.27396	7.2
339.26794	3.4
349.25394	1.8
351.26733	3.0
353.28366	8.1
361.28839	3.3
363.26950	3.9
379.30008	2.0
391.33780	5.4
401.31967	11.8
409.34674	12.3
419.33118	62.5
437.34183	100.0
438.34488	3.8
455.25064	5.3
455.35266	76.3
456.35718	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	455.3519
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
53.03937	3.8
55.01870	3.5
55.05509	28.7
56.96569	3.3
57.03436	2.5
57.07072	9.0
58.13789	2.0
59.04989	2.1
65.03931	4.0
67.05502	46.1
69.03413	6.1
69.06694	2.2
69.07065	31.7
70.06579	4.8
71.04977	4.7
71.08613	3.7
71.20480	3.8
73.02893	2.2
79.05488	23.1
81.03414	7.4
81.07052	57.6
83.04976	7.3
83.08618	16.5
85.02905	2.5
85.06548	2.9
91.05484	21.0
93.06437	2.3
93.07037	46.4
94.06543	2.5
94.07405	1.7
95.04961	10.7
95.08600	78.8
96.08958	2.3
97.02883	2.2
97.06534	6.0
97.10173	8.8
99.08094	5.4
105.04591	1.9
105.07017	36.2
107.04964	4.0
107.08588	62.0
109.06548	4.3
109.10149	55.1
110.09645	2.7
111.04454	3.2
111.08067	8.0
115.05408	2.1
117.06981	9.5
119.08578	36.3
119.09395	3.0
119.57722	1.7
120.08115	2.0
121.06503	4.3
121.10135	55.7
122.09669	2.7
123.08073	10.5
123.11695	20.2
125.09625	4.0
126.27802	1.7
127.11148	2.0
128.06265	4.9
128.10693	2.6
129.00169	1.6
129.06981	9.2
131.05940	1.8
131.08566	23.3
133.10123	29.5
135.08060	5.6
135.11684	29.0
137.09631	6.9
137.13283	10.4
139.11205	4.6
140.10684	11.3
141.06985	7.9
141.09116	2.4
142.07788	4.9
143.08554	33.5
144.09357	2.8
145.06526	2.4
145.10127	24.6
147.08072	2.6
147.11656	14.2
149.09578	4.7
149.13246	34.2
151.11205	14.0
151.14803	12.7
153.12737	2.8
154.07793	2.2
155.08553	20.0
156.09332	6.5
157.10118	36.4
159.04430	2.1
159.08109	5.2
159.11681	20.5
161.09619	4.9
161.13264	9.5
163.03867	5.6
163.11174	4.6
163.14842	7.1
165.07021	2.3
165.09166	2.0
165.12770	5.5
166.07652	1.9
167.08595	4.9
168.09329	3.6
169.10129	33.8
170.10812	2.5
171.11682	27.6
173.02328	2.7
173.09648	1.8
173.11827	3.8
173.13239	25.7
175.03993	2.4
175.11234	3.2
175.14883	7.4
175.21635	1.5
177.12724	4.2
177.16386	15.1
178.97475	1.7
179.08603	4.3
179.14233	3.1
181.10144	10.2
182.10892	4.2
183.11668	28.9
185.13234	16.9
187.03899	3.5
187.14764	9.6
189.12834	2.0
189.16437	5.6
191.14342	2.4
193.10136	5.1
194.10899	2.2
195.11609	11.1
195.17499	2.2
196.12451	3.1
197.13216	14.4
198.13921	2.3
199.14857	9.3
201.16431	7.7
203.14299	3.7
203.18068	2.1
205.10123	1.8
205.15961	3.5
207.11731	5.6
207.17442	2.7
208.12614	2.9
209.11566	3.5
209.13298	11.3
210.14072	4.2
211.13466	1.8
211.14908	14.9
212.15544	1.7
213.05426	3.1
213.16380	20.0
215.18024	4.5
217.15849	2.8
221.13310	4.5
222.14066	3.1
223.14873	8.0
224.15543	2.5
225.16371	16.4
227.17850	10.3
229.15918	2.9
229.19565	3.7
231.17427	19.4
233.13361	2.2
235.14815	5.1
235.16998	3.6
237.16379	17.2
238.17149	2.2
239.17941	15.9
241.19421	9.3
243.17487	3.5
243.21194	2.3
245.18991	5.6
247.08521	1.8
247.20490	2.5
248.15712	2.1
249.16510	3.1
250.05948	1.9
251.17952	20.9
253.19493	32.1
255.17491	4.2
255.21172	2.8
257.11700	2.8
257.19031	10.7
259.20563	4.4
261.16397	2.7
263.17953	4.9
265.19586	6.3
267.21066	6.7
269.19092	3.9
271.13104	3.0
271.20575	11.9
275.20026	5.9
277.19507	2.7
279.21042	3.0
281.19037	2.2
281.22568	2.1
283.20590	6.6
285.22079	2.6
287.23761	2.9
291.21088	2.8
292.12360	2.4
293.20944	12.8
295.20767	2.5
297.22073	3.1
305.22504	3.6
314.69528	1.9
319.24249	7.4
337.25214	10.1
349.25244	1.8
361.28754	2.5
379.30106	3.1
389.32062	23.3
401.32181	6.7
407.33044	56.2
408.33710	3.3
409.34732	2.5
419.22134	4.9
419.33096	30.2
425.34128	100.0
426.34430	3.3
437.23099	7.2
437.34229	35.5
438.35312	2.3
455.25507	5.1
455.35251	81.2
456.35681	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	455.352
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05503	5.9
67.05498	8.6
69.07063	7.2
70.00209	5.4
70.00608	15.6
79.05498	5.1
81.07053	18.9
83.04975	5.4
83.08602	3.9
91.05459	10.3
93.07034	18.0
95.08609	23.8
97.06591	3.6
97.10083	3.3
105.07012	15.5
107.08593	16.9
109.10147	13.3
115.17121	3.0
119.08569	23.9
121.06508	4.1
121.10125	14.3
123.11714	4.4
131.08626	5.4
133.10106	17.4
135.08044	7.1
135.11641	17.7
137.09650	4.7
137.13283	4.3
143.08571	5.9
145.10123	10.8
147.08017	3.3
147.11671	15.3
149.13251	11.9
151.84433	3.3
154.90915	3.2
157.10095	4.2
159.11714	6.7
161.09590	5.5
163.07657	3.9
163.14833	6.3
171.11642	4.6
173.09558	3.8
173.13226	4.5
175.11172	10.2
175.14868	4.1
177.82506	3.0
187.14789	8.8
189.16417	23.6
197.13091	3.3
198.91440	3.4
205.15730	3.3
207.17563	23.7
215.14290	16.8
229.15825	7.3
233.15288	8.3
335.23077	3.5
351.66214	3.5
397.31113	18.6
419.32819	5.9
425.62845	3.5
437.34195	83.2
438.34586	4.4
455.35205	100.0
456.35428	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	455.3518
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
50.49965	2.9
53.03941	3.9
55.01884	8.6
55.05507	26.2
56.96563	9.9
57.03442	9.6
57.07069	6.1
59.05005	4.1
61.02932	7.0
65.03972	3.7
67.05506	63.2
69.03434	19.1
69.07066	49.8
70.06596	13.2
71.05003	17.1
71.08634	2.8
71.49803	4.5
71.50161	6.6
73.02909	7.5
79.05496	42.3
81.03431	14.5
81.07056	77.9
83.04990	15.7
83.08619	25.5
84.08147	5.2
85.02908	17.3
85.06557	9.3
91.05486	36.0
93.07041	56.3
93.07575	4.2
95.04965	22.3
95.08607	82.3
95.09190	4.9
97.02914	12.4
97.06512	27.2
97.10191	12.9
98.97593	2.8
99.08101	4.6
99.69415	3.1
105.07034	53.3
105.07684	3.6
107.04963	9.7
107.08588	72.9
108.08974	3.1
109.02869	3.5
109.06554	10.5
109.10151	79.8
109.10845	5.0
110.10527	3.3
111.04462	4.7
111.08115	7.8
117.07055	12.6
119.08591	60.3
121.06554	11.1
121.10143	57.1
121.10942	3.9
122.10479	3.3
123.08050	13.5
123.11714	29.1
125.09672	12.3
127.03934	5.2
128.06285	4.1
129.07053	11.1
129.10258	5.1
131.08568	34.4
133.06523	3.7
133.10126	41.6
135.08110	12.9
135.11661	29.5
137.09642	11.3
137.13301	9.8
139.07585	2.9
139.11218	6.4
141.07010	7.1
142.07790	5.8
143.08578	23.9
144.09344	3.2
145.06476	3.8
145.10112	38.8
147.08028	5.0
147.11682	32.8
147.12648	2.9
149.09673	12.5
149.13248	20.4
151.07599	6.5
151.11169	7.6
151.14792	3.4
155.08626	10.9
156.09404	3.3
157.10101	31.8
159.08095	7.3
159.11696	34.5
161.09607	6.8
161.13269	20.8
163.03885	7.3
163.11246	9.5
163.14807	13.7
165.05554	4.6
165.06967	3.3
165.09116	20.8
168.09395	3.5
169.10147	17.6
171.11702	25.0
173.09637	4.9
173.11919	5.4
173.13217	20.2
175.07570	4.1
175.11258	7.0
175.14868	21.4
175.30067	3.2
177.09111	4.8
177.12811	7.6
177.16428	6.3
181.10097	6.0
182.10957	3.8
183.11641	15.9
185.13301	14.9
187.11186	5.4
187.14793	16.4
189.09177	3.2
189.11281	3.5
189.12862	6.7
189.16460	11.0
191.14352	6.7
191.18095	5.1
193.12248	3.6
194.11006	3.3
195.11778	9.0
197.09930	3.0
197.13362	10.8
199.11194	3.8
199.14793	15.2
201.12865	4.3
201.16354	14.2
203.14296	4.6
203.17993	3.5
205.15938	3.3
207.11804	4.0
207.13715	3.5
209.11697	5.7
209.13448	8.0
211.11319	3.9
211.13141	3.5
211.14900	10.2
213.16324	15.9
215.10660	3.4
215.14330	3.2
215.18015	12.4
217.16035	3.5
219.17513	4.5
223.14928	6.8
225.16524	11.7
227.18037	11.5
229.12277	4.7
229.16029	3.4
229.19569	5.1
231.17474	5.0
237.16568	4.2
239.18042	9.2
241.19572	7.1
243.09288	3.6
243.17569	4.1
245.19142	3.6
255.21149	4.4
261.18735	3.6
267.09198	7.2
267.21146	10.2
268.09387	3.7
275.20215	5.7
279.21243	4.5
281.19727	3.2
281.22833	8.3
283.20700	3.9
285.10229	12.7
286.10687	7.3
287.20044	8.1
311.23849	4.2
315.23312	3.2
335.27493	4.1
349.29123	7.4
365.28387	5.8
367.30383	9.5
383.29425	6.8
401.32230	6.4
407.33276	6.2
419.32983	32.4
425.34366	4.6
437.34314	45.8
455.20908	6.2
455.26059	10.8
455.35434	100.0
456.23273	4.1
456.35812	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	455.352
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
53.03943	6.7
55.01872	6.3
55.05513	28.2
55.15990	2.8
55.19740	3.0
56.96562	7.9
57.03430	4.3
57.07063	7.7
65.01331	2.8
65.03947	5.3
65.11286	2.4
67.05505	67.2
69.03432	5.7
69.07068	33.6
69.48539	17.9
69.48957	4.0
70.06585	5.3
71.05017	4.4
71.08603	6.9
77.03922	3.0
79.05489	33.8
81.03408	13.6
81.06606	4.5
81.07056	69.8
83.04974	11.6
83.08615	18.2
85.02895	6.2
85.06559	4.9
91.05476	40.9
92.05846	4.3
93.07043	63.6
95.04977	13.6
95.08606	100.0
97.06536	11.1
97.10173	11.0
98.20779	4.7
98.97565	3.1
99.08059	4.4
105.07031	36.0
107.04943	7.0
107.08595	77.1
109.06518	7.5
109.10162	53.3
111.08070	11.1
115.05453	4.2
117.07012	10.3
119.08582	40.6
121.06515	7.5
121.10136	63.3
122.09673	3.0
123.08041	12.6
123.11712	20.7
125.09627	4.9
128.06200	7.2
129.06992	14.6
131.08566	26.0
133.10138	32.6
135.08061	3.8
135.11691	28.5
137.09599	9.4
137.13226	11.4
139.11174	4.1
140.10695	10.7
141.06975	5.5
142.07748	7.3
143.08557	30.7
145.10147	25.0
147.08081	4.1
147.11690	22.9
149.09639	5.0
149.13271	34.1
151.07536	2.8
151.11201	17.9
151.14813	13.0
151.59935	2.5
153.09076	3.3
153.12772	5.4
155.08549	22.9
155.10587	3.1
156.09268	5.6
157.10138	35.8
157.54408	2.6
159.04388	3.2
159.11697	25.1
161.09662	3.2
161.13261	8.7
163.03903	11.4
163.11227	6.2
163.14810	8.3
165.12782	7.3
167.08466	3.7
169.10114	35.3
171.11719	30.2
173.02374	5.8
173.05954	3.6
173.09631	5.2
173.11694	7.7
173.13275	21.7
175.14821	7.9
177.12828	5.5
177.16350	18.4
181.10132	8.5
181.12286	5.1
183.11690	26.3
185.13278	14.1
185.57033	2.8
187.03961	4.3
187.11243	4.9
187.14798	9.3
189.16393	5.3
191.10631	3.1
193.10214	3.7
193.12161	4.3
195.11737	11.7
196.12521	3.3
197.13260	14.4
199.14825	9.2
201.05476	2.9
201.12854	3.2
201.16399	8.5
203.14299	5.0
203.17857	3.8
207.11646	3.4
207.17491	3.8
209.13290	8.7
210.14003	3.4
211.14821	16.8
213.05432	6.6
213.16399	22.6
217.15804	3.7
220.12469	3.8
221.13235	5.3
223.14830	8.5
225.16371	16.2
227.17923	10.8
229.15996	6.6
229.19502	6.7
231.17459	18.7
235.14835	5.0
235.16893	4.2
237.16316	15.3
239.18004	13.2
241.19502	4.3
243.17401	6.0
245.18973	8.2
249.16362	3.9
251.17981	19.6
253.19507	28.7
255.21056	3.5
257.11673	5.7
257.18997	11.0
259.20773	6.8
263.17950	3.5
265.19464	6.1
267.21182	5.4
269.18970	5.1
271.20511	16.3
275.19998	8.5
281.22687	2.8
283.20511	6.3
285.22006	4.0
292.12448	3.2
293.21072	16.3
297.22070	3.6
305.22565	5.2
311.23624	4.4
319.24014	6.0
337.25226	9.5
351.26541	4.8
379.30063	5.8
389.32022	18.1
401.32071	8.9
407.33127	52.0
408.33545	4.4
419.22128	7.7
419.33017	33.4
425.34128	97.1
437.23285	11.9
437.34262	39.8
455.25424	6.7
455.35349	89.3
456.35574	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01864	5.7
55.05512	71.4
57.03440	3.8
57.07076	52.2
59.05009	2.5
65.03960	2.2
67.05508	34.4
69.03429	5.8
69.07068	29.2
71.08635	39.4
71.50506	1.7
77.03925	1.4
77.80590	1.6
79.05494	31.5
81.07058	54.2
82.47812	1.3
83.04987	4.5
83.08622	39.3
85.10188	22.0
86.10520	2.3
87.04475	2.7
89.06035	24.7
90.06370	5.6
91.05484	7.5
93.07037	8.4
95.04977	4.2
95.08612	49.7
97.06527	2.5
97.10168	46.2
98.10472	1.5
99.11718	3.1
105.07024	12.3
107.08597	28.6
109.06539	3.2
109.10157	30.3
111.08090	3.4
111.11697	2.8
119.08560	11.0
121.06511	4.1
121.10153	12.4
123.08122	3.6
123.11716	14.5
125.09637	47.4
131.08600	3.8
133.08623	12.9
133.10144	10.1
134.08955	3.8
135.08038	3.6
135.11655	8.1
137.13263	6.2
143.08549	2.2
143.10655	11.3
145.10161	6.0
147.08049	1.9
147.11761	6.8
149.09610	3.8
149.13312	4.1
151.14836	4.2
157.10138	4.1
159.08034	4.4
159.11725	5.4
161.09676	3.8
161.13298	5.2
163.14873	5.1
169.10121	2.9
171.11728	3.1
173.11861	2.7
173.13300	5.5
175.11137	2.1
175.14838	4.4
177.11235	4.1
177.16389	2.1
185.13371	2.1
187.11227	2.1
187.14836	3.2
189.16367	3.8
191.18031	1.6
197.13263	1.7
199.13295	11.3
201.12759	1.7
201.16454	3.0
203.14330	2.3
205.15894	1.7
213.16383	1.5
215.17934	2.0
221.22639	2.2
239.23653	23.7
243.17480	3.3
244.23447	1.8
261.18701	3.5
283.17593	3.2
284.17883	2.8
313.27420	6.4
409.34601	2.6
415.58493	1.7
419.33270	2.7
437.34238	11.0
438.35101	5.5
455.36340	100.0
456.35898	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	455.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
54.42986	1.2
55.01865	6.1
55.05512	80.4
56.77431	1.4
57.03426	6.1
57.07076	59.0
59.04984	2.3
59.10410	1.3
62.16667	1.2
65.18968	1.2
67.05502	31.8
69.03414	4.1
69.07070	25.1
69.25005	14.8
70.51744	1.2
71.04990	2.0
71.08249	2.7
71.08630	39.5
79.05496	35.0
81.07055	55.9
82.11382	1.5
83.04974	5.5
83.08623	42.6
85.06533	3.0
85.10185	21.3
85.44535	1.2
89.06021	4.2
91.05472	7.6
93.07043	13.6
95.04975	2.5
95.08604	47.6
97.06525	2.4
97.10172	53.8
98.20813	2.8
99.08079	1.3
99.11690	2.4
105.07022	9.5
107.08593	31.9
107.13248	1.1
109.06541	2.2
109.10155	28.0
110.74921	1.1
111.08084	2.7
111.11695	3.2
117.07026	1.5
119.08572	12.8
121.06489	1.7
121.10157	11.4
123.11727	13.4
125.09633	54.3
129.06932	1.5
131.08553	5.2
133.10165	7.5
135.07971	1.7
135.11679	7.7
137.13255	6.0
143.08577	3.0
143.10658	16.4
145.10097	5.7
147.11694	8.6
149.13240	4.0
151.14890	3.2
156.53613	1.4
157.10149	3.1
159.11659	5.2
161.13226	3.8
163.11160	2.0
171.11734	3.2
173.11807	1.7
173.13220	4.5
175.11159	2.0
175.14847	5.6
177.16379	1.6
183.11716	1.4
185.13371	1.5
187.14743	2.5
189.16428	3.7
193.15871	3.3
197.13226	1.6
199.13293	14.7
199.14900	2.9
203.17987	3.4
205.15988	1.4
213.16463	1.9
215.17934	1.8
221.22585	2.9
229.16084	1.9
235.16841	2.7
239.23694	25.8
279.21130	1.3
313.27286	8.9
341.52295	1.4
395.29425	2.1
401.31888	1.3
411.32465	2.3
419.33008	4.1
437.34241	17.6
455.37192	100.0
456.36569	2.4
482.32373	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	457.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.8
56.96570	6.1
57.03419	1.8
67.05524	6.5
67.05797	1.3
68.11578	1.5
69.03419	2.8
69.07043	4.7
69.10159	1.2
69.53495	9.6
70.06582	4.5
79.05478	7.0
81.03429	1.7
81.07050	11.0
83.04977	2.4
84.08115	2.3
85.02909	3.1
85.06565	1.6
86.09684	1.6
89.06074	1.3
91.05450	5.1
93.07018	4.9
95.04974	1.8
95.08605	7.7
97.02857	1.4
97.06505	5.7
97.10138	2.2
98.21474	2.6
98.97563	4.4
105.07013	4.8
107.08574	5.7
109.06490	1.5
109.10165	7.9
109.93803	1.2
116.98586	2.5
117.07033	1.8
119.08604	6.9
121.06516	1.4
121.10104	4.2
123.11665	2.5
125.09616	3.7
131.08525	1.7
133.10106	4.0
135.04382	1.7
135.08047	2.1
135.11638	2.4
137.05949	2.6
137.09572	5.1
143.08554	2.2
145.06432	1.2
145.10095	2.0
147.04340	2.7
147.05446	2.0
147.11632	2.1
149.09639	10.9
149.13181	1.8
150.12752	1.6
151.07533	3.3
157.10130	1.6
159.11592	1.9
161.04857	3.3
161.13132	1.3
163.03857	5.2
165.09113	41.6
168.61513	1.3
171.11742	1.6
173.02237	1.3
175.07646	1.4
175.11156	3.5
175.38847	1.4
177.00636	1.4
177.09038	1.9
185.13185	1.7
187.11176	1.5
189.12738	4.4
191.03369	3.1
191.10576	2.0
205.12263	3.4
209.08463	1.7
215.07047	1.9
227.09467	2.7
228.41878	1.3
242.50514	1.4
259.09543	2.0
267.12796	1.8
271.17075	1.4
277.17874	2.1
295.15799	12.9
305.24756	1.3
313.16650	2.6
337.16879	14.5
339.55115	1.3
383.07437	4.1
439.32175	3.0
457.21997	100.0
457.33145	5.4
458.22406	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	457.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	6.7
65.29346	1.1
67.05486	4.5
69.03403	2.5
69.07049	2.1
69.30830	12.6
70.06569	2.9
79.05470	3.9
81.07027	4.9
83.04979	1.7
84.08132	1.6
86.09700	2.4
89.31612	1.3
89.95349	1.2
91.05460	3.5
93.07022	5.0
95.04955	3.3
95.08601	4.7
96.21897	1.3
97.06506	4.9
98.97551	3.5
105.06996	3.2
107.04930	1.6
107.08593	2.4
109.10136	3.0
116.98595	2.4
119.08585	2.6
121.10145	3.9
131.08527	1.8
133.10095	3.6
137.05910	1.4
145.06474	2.1
145.10098	3.0
147.11687	2.6
149.09564	2.3
151.07474	4.2
159.11629	2.4
165.09081	3.5
167.15511	1.4
171.11697	1.7
173.13263	1.5
175.11119	1.4
177.09015	1.5
189.09132	1.2
191.10715	2.2
209.08446	2.6
227.09425	3.5
259.09537	1.8
267.12589	2.9
277.14810	1.5
283.20313	1.7
285.13647	2.2
295.15668	7.2
295.18771	3.9
313.16626	4.3
342.39996	1.3
383.06879	1.7
439.19949	2.8
440.19040	1.5
457.21918	100.0
458.22046	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	457.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	5.2
55.05480	10.0
56.96565	10.6
65.03872	2.7
66.73125	1.9
67.05508	17.5
69.03404	10.3
69.07063	12.1
69.88509	6.7
69.88905	4.0
70.06598	13.3
71.04964	5.0
71.39424	2.0
71.95232	2.3
73.81259	1.9
74.06049	3.3
79.05497	11.3
80.78369	2.2
81.03418	2.7
81.07056	22.6
83.04950	3.8
83.08597	4.5
84.04461	3.1
84.08102	7.2
85.02869	6.4
85.06533	4.2
86.09691	4.8
91.05484	22.2
93.07034	18.0
95.04941	6.3
95.08050	2.3
95.08600	21.9
97.02829	6.5
97.06531	18.1
97.10147	5.1
98.97553	3.2
105.07027	14.5
105.07586	2.5
107.04926	6.4
107.08597	12.8
109.06496	5.7
109.10143	14.0
109.10744	2.3
111.04412	3.2
111.08067	3.0
116.98611	5.0
117.06971	6.0
119.08586	15.1
120.08086	5.0
120.23436	2.5
121.06489	5.1
121.10139	14.2
123.08015	9.3
123.11720	5.3
125.09563	5.7
128.98546	3.0
129.06961	4.8
129.10153	4.1
131.08488	8.2
133.10112	11.1
134.99646	2.6
135.04285	3.2
135.07994	6.0
135.11623	7.1
137.05905	5.5
137.09560	8.5
139.07487	2.9
141.07021	2.8
143.08495	3.6
145.10071	7.7
147.08028	3.4
147.11610	6.6
149.05945	3.6
149.09544	6.7
149.13167	5.6
151.03735	2.6
151.07536	14.4
155.08470	3.5
157.10110	5.8
159.08028	4.3
159.11659	5.4
161.04774	3.9
161.09561	3.2
161.13124	2.9
163.03894	5.2
163.11082	4.2
165.05452	3.0
165.06909	2.6
165.09138	19.4
169.10056	3.4
173.02393	3.2
173.09563	2.6
173.13177	2.8
175.11108	2.9
185.13326	2.2
189.09076	4.2
189.12683	2.9
191.10593	7.4
197.13225	3.1
199.14650	3.4
203.10684	2.7
205.12134	4.3
211.11176	2.8
215.06808	2.5
231.13762	2.5
259.09662	4.6
260.09814	2.7
295.15607	8.7
295.18661	3.1
301.17801	2.3
313.16705	2.5
337.16647	7.6
457.21838	100.0
457.33023	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	457.241
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
54.78673	0.3
55.14730	0.3
56.96550	0.3
61.40855	0.3
69.03425	0.6
69.07075	0.3
69.56930	1.4
69.57346	0.8
70.06583	1.2
72.08151	0.5
73.02914	0.6
76.53280	0.3
79.05490	0.4
81.07043	0.6
83.41297	0.3
84.08138	1.0
85.02917	0.5
86.09696	0.9
91.05481	0.9
93.07065	0.4
95.04955	0.3
95.08572	0.4
98.97575	0.7
100.29991	0.3
105.07025	0.5
107.08603	0.8
109.10162	0.4
115.28968	0.3
119.08587	0.5
119.60349	0.3
121.06535	0.6
129.10191	0.4
131.23936	0.3
133.10138	0.8
137.05972	1.3
137.09624	0.4
138.24748	0.3
143.08548	0.3
147.05537	0.5
161.06032	0.4
173.13260	0.3
177.05463	0.3
182.40205	0.3
191.14409	0.5
214.08708	0.4
247.15556	0.4
265.37500	0.3
271.10101	1.6
271.60306	1.5
272.10690	0.5
277.17697	0.5
295.18716	0.9
335.12650	0.4
353.14105	0.3
393.17102	0.4
397.14993	0.4
439.23257	0.6
457.24094	100.0
458.18195	0.3
458.24530	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	457.3676
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
55.05508	1.8
55.55195	0.2
57.03419	0.3
57.07067	0.6
58.07579	0.2
67.05506	3.7
69.03407	0.2
69.07069	3.2
69.36517	1.4
69.36930	0.3
71.04945	0.3
71.08659	0.3
79.05494	2.0
79.84837	0.2
81.07057	6.8
83.04974	0.5
83.08621	1.6
85.06561	0.3
91.05480	2.2
93.07047	5.8
95.04963	0.9
95.08607	9.7
97.06527	0.6
97.10152	0.6
105.07033	4.1
107.04967	0.6
107.08593	8.0
107.09324	0.4
109.06540	0.7
109.10161	6.0
111.08087	0.5
111.11723	0.3
115.46008	0.2
117.07015	0.5
117.98481	0.2
119.04944	0.2
119.08583	5.5
121.06506	2.5
121.10142	7.8
122.10562	0.2
123.08079	1.2
123.11710	3.4
125.09657	0.5
127.11208	0.2
131.08572	1.5
133.06487	1.0
133.10143	4.3
134.58162	0.2
135.05559	0.2
135.08043	2.2
135.11694	4.5
137.09618	1.2
137.13268	2.4
139.11174	0.9
143.08592	0.6
145.10129	2.7
147.08037	1.0
147.11681	2.9
149.09610	1.5
149.13249	2.1
151.11224	0.4
151.14862	0.8
156.09341	0.2
157.10141	0.8
158.10915	0.3
159.08076	0.4
159.11673	2.3
161.09607	1.2
161.13277	1.8
163.11188	0.9
163.14842	1.7
169.10135	0.4
171.11699	1.1
173.09624	0.7
173.13316	1.8
175.11180	1.0
175.14821	2.3
177.12749	0.7
177.16451	1.0
179.14368	0.3
183.11731	0.8
185.13211	1.2
187.11182	0.3
187.14810	1.8
189.12769	0.9
189.16409	1.5
191.14236	0.3
191.17903	0.5
193.15736	0.3
197.13211	0.5
199.14833	0.9
201.12685	0.5
201.16400	1.2
203.14371	0.5
203.17885	1.1
207.17358	0.3
211.14825	0.6
213.16426	0.6
215.14380	0.4
215.17987	0.9
217.15970	0.5
217.19585	0.3
219.17400	0.3
223.14842	0.2
225.16302	0.5
227.17957	0.5
229.19604	0.4
231.17482	0.5
235.16954	0.5
239.18024	0.5
241.19545	0.7
243.17624	0.4
251.18076	0.3
257.19101	0.5
257.22711	0.5
259.20605	0.4
261.18613	0.5
273.18552	0.2
275.20120	0.5
277.21622	2.7
285.22153	0.7
287.20087	0.9
289.21658	0.3
301.21802	0.2
303.23093	2.4
317.24869	1.2
421.34555	0.7
439.36078	1.3
439.40994	0.2
457.36758	100.0
458.37082	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
54.95301	2.1
55.05515	11.9
57.07072	7.0
65.03936	3.2
67.05513	21.2
69.07075	25.6
70.22935	3.8
70.23325	4.1
71.04987	3.6
71.39494	1.8
79.05502	15.1
81.07056	46.5
83.08619	11.6
91.05480	13.5
93.06494	3.6
93.07044	38.4
95.04955	3.0
95.08609	70.0
97.10156	4.4
99.08106	20.5
104.18337	2.0
105.07047	17.4
107.08594	56.8
107.09318	3.5
109.06552	4.7
109.10154	54.9
111.08087	3.5
111.11745	3.8
117.07023	3.5
119.08586	30.3
121.06516	2.4
121.10148	48.6
123.08054	4.3
123.11713	22.7
125.09650	5.1
127.07589	6.0
131.08559	6.5
133.07469	2.1
133.10123	23.0
135.08034	11.7
135.11694	34.6
137.09641	4.4
137.13303	11.7
139.11197	3.2
143.08578	3.3
145.10136	16.8
147.08057	5.4
147.11661	21.3
149.09598	6.6
149.13255	25.9
151.11244	2.8
153.12724	2.4
157.10095	5.2
159.11696	11.5
161.09648	6.3
161.13284	17.0
163.11139	3.7
163.14822	17.6
165.12781	5.5
171.11693	6.2
173.09741	2.7
173.13216	10.4
175.11182	4.3
175.14845	9.6
177.12778	4.6
177.16386	13.0
179.14293	4.8
183.11632	3.3
185.13275	5.7
187.11246	2.3
187.14850	9.1
189.12770	2.6
189.16425	15.7
191.17976	13.4
193.15884	3.3
199.14774	2.8
201.12846	4.5
201.16383	6.2
203.17902	9.6
205.15891	6.8
207.17490	7.0
211.14874	2.7
213.16434	4.7
215.17929	5.1
217.15941	2.3
217.19620	2.7
219.17477	3.0
219.20978	2.5
223.17125	2.1
229.15889	2.8
229.19540	5.7
231.17522	2.8
233.19087	2.4
235.17125	2.5
241.19525	2.5
249.18526	21.3
255.21088	4.7
269.22809	2.6
271.20624	2.7
277.21741	5.0
285.22159	6.5
287.20145	9.8
289.21585	10.0
301.21597	3.8
317.24847	3.6
325.25516	2.4
329.24887	3.3
403.33804	3.1
411.36270	17.7
421.34692	19.3
439.35684	100.0
440.35831	5.0
457.36707	82.3
458.36984	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	457.3677
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
51.77140	3.0
52.89695	2.9
55.01891	2.8
55.05508	11.2
57.07074	6.3
65.43229	2.8
67.05511	21.5
69.07072	22.0
69.85973	16.1
71.08633	2.4
77.70093	2.8
79.05486	14.9
81.07055	38.5
83.05003	3.3
83.08635	10.6
91.05478	13.7
93.07041	27.2
95.05001	2.5
95.08606	58.0
97.06577	4.5
97.10162	5.0
98.20846	4.2
105.07029	26.9
107.08599	57.7
109.06541	4.8
109.10149	36.9
110.62758	2.5
111.08060	4.9
117.07047	4.2
119.08591	33.0
121.06561	3.8
121.10153	35.0
123.08089	12.2
123.11681	17.7
125.09649	6.7
129.07048	3.6
131.08597	15.0
133.10139	41.7
135.11707	21.7
137.09625	4.1
137.13274	8.6
139.11201	3.7
143.08623	6.6
145.10136	15.6
147.11682	18.6
149.09700	5.3
149.13283	15.8
151.11211	8.9
151.14874	9.0
157.10097	6.6
159.11674	13.7
161.09645	4.5
161.13260	12.9
163.14844	8.7
165.12781	3.4
171.11711	7.4
173.13313	13.5
175.14844	21.3
177.16422	6.9
179.14479	3.2
180.11069	2.8
181.15918	2.9
183.11703	5.0
185.13309	8.3
187.14845	10.7
189.16403	10.8
191.14311	3.4
191.18030	5.5
193.15907	31.8
197.13231	4.4
198.06818	2.7
199.14763	4.3
201.12805	3.3
201.16393	7.3
203.14352	4.7
203.17940	3.6
207.31697	2.8
213.16402	6.7
215.17975	3.2
217.19568	4.2
227.17891	4.7
229.19513	3.9
235.17015	7.1
239.17761	3.1
241.19595	4.3
243.21074	3.6
253.19550	4.2
257.18942	3.4
267.21298	3.1
271.20532	3.2
271.24329	11.2
273.10257	2.7
281.22644	3.9
289.25385	9.8
390.75049	2.8
403.33667	3.8
421.34741	26.4
439.36188	34.9
457.23291	11.3
457.36862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Microfokienoxane B
Peak:m/z	Relative Intensity
51.02366	1.0
52.49197	1.0
53.03943	1.4
54.15391	1.2
55.05518	5.9
57.07074	2.9
65.03925	1.5
67.05508	9.0
69.03419	1.7
69.07076	10.0
71.04990	3.4
71.34372	1.4
76.42867	1.0
77.42295	1.0
79.05492	6.0
79.20524	1.2
81.07062	20.7
83.04984	2.9
83.08629	5.2
84.13759	1.1
91.05481	8.1
93.07041	15.9
95.04964	2.7
95.08615	28.0
97.06525	2.6
97.10181	3.4
99.08076	1.7
101.59428	1.0
104.21859	1.1
105.07026	14.2
107.08595	29.4
109.06509	2.6
109.10157	16.2
111.08092	2.4
111.11737	1.9
113.92864	1.1
117.07019	2.1
119.08588	33.7
119.49561	0.9
121.06496	2.2
121.10146	21.9
123.08100	2.6
123.11701	14.1
125.09620	2.3
125.13319	1.2
126.97173	1.0
131.08560	9.0
133.10129	17.8
135.08089	2.4
135.11703	18.8
137.09621	2.9
137.13255	6.3
139.11162	1.2
143.08607	3.2
145.10121	8.9
147.08099	1.2
147.11647	8.7
149.09627	2.8
149.13261	10.4
151.11172	3.0
151.14861	2.1
153.12819	1.3
155.08501	2.0
157.10139	7.1
159.11699	8.5
161.09669	3.3
161.13257	5.6
163.11269	2.1
163.14868	3.1
165.09222	1.1
165.12772	1.0
169.10175	4.2
170.10898	1.2
171.11661	6.8
173.09639	1.7
173.13255	6.7
174.13751	1.0
175.11237	3.0
175.14844	6.1
177.12726	1.0
177.16319	5.1
179.10681	1.4
179.14217	1.4
183.11697	3.5
185.13292	3.9
187.14816	6.1
189.12715	1.7
189.16370	8.1
191.14427	1.2
191.17897	11.0
193.15971	1.4
195.11644	1.9
197.13232	3.1
199.14848	2.9
201.12785	1.2
201.16426	2.7
203.14331	1.0
203.17998	3.2
207.17502	1.9
211.14854	2.0
213.16425	3.4
215.17911	1.8
217.15897	2.4
225.16457	2.8
227.18008	3.5
229.15941	1.9
229.19577	2.1
231.17447	9.0
235.16980	1.2
239.17967	4.0
241.19406	2.5
241.62930	1.3
244.39455	1.1
245.18991	3.9
247.20494	1.2
249.18495	1.7
253.19568	2.3
255.21077	2.5
257.19073	8.3
257.22537	1.6
259.20532	1.4
267.21066	3.0
271.20734	3.4
271.24286	3.6
283.20438	1.2
285.22208	4.8
287.97873	1.1
299.23721	9.9
303.23352	1.6
307.24069	1.1
403.33698	3.0
421.34616	12.1
439.01566	1.2
439.35721	27.5
457.36813	100.0
458.36963	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	457.3674
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
53.03964	2.6
55.01880	2.6
55.05517	23.6
56.96571	5.9
57.03409	3.3
57.07074	14.6
59.04978	2.8
67.05509	36.9
69.03427	6.2
69.07069	35.7
69.96853	8.4
69.97266	4.9
71.04985	5.7
71.08639	5.0
74.48493	2.8
79.05492	31.5
81.03413	3.9
81.07056	70.6
83.04985	6.5
83.08622	18.7
85.06546	3.9
91.05468	29.7
93.07047	47.4
95.04957	10.2
95.08611	100.0
97.06536	8.7
97.10169	15.7
99.08073	2.8
105.07033	33.4
107.04965	5.1
107.08588	70.8
109.06516	11.0
109.10158	77.0
111.08040	4.6
111.11720	5.8
117.07046	6.5
119.08575	45.1
119.09382	3.1
121.06506	3.4
121.10143	70.1
123.08067	26.9
123.11713	37.2
125.05952	5.2
125.09640	7.9
127.03880	3.7
128.06203	3.1
129.07004	6.5
131.08563	26.5
133.10144	31.7
135.08052	11.1
135.11699	29.3
137.05960	4.3
137.09621	9.7
137.13263	24.1
139.11154	3.6
141.07033	3.5
142.07684	3.4
143.08554	10.5
145.06560	2.8
145.10152	21.5
147.08054	5.4
147.11716	21.7
149.09650	11.8
149.13249	27.0
151.11229	4.4
151.14842	8.2
155.08598	6.0
156.09322	2.9
157.10089	12.6
159.07985	3.1
159.11700	20.0
161.09651	3.4
161.13293	11.2
163.14830	8.0
165.09064	4.1
165.16354	6.1
167.08453	3.4
167.10698	6.5
169.10146	7.7
171.11646	15.5
173.13251	11.4
175.11174	6.3
175.14836	9.7
177.12820	3.8
177.16374	9.3
179.18045	3.6
181.10117	3.8
183.11725	7.1
185.13249	11.5
187.14839	9.5
189.12848	4.5
189.16359	9.0
191.17979	6.5
195.11693	7.4
197.13307	6.2
199.11232	4.5
199.14815	8.3
201.12668	4.6
201.16342	7.3
203.14429	3.8
203.17998	8.8
205.15976	3.6
211.14772	4.3
213.16402	8.5
215.17978	6.7
217.15865	3.0
217.19421	4.3
223.14893	3.1
225.16447	4.9
227.17897	5.9
229.19408	3.4
239.17949	3.2
241.15912	3.4
241.19563	4.2
243.17337	6.6
243.21126	4.3
251.16415	8.6
257.19037	2.9
257.22589	2.9
261.18549	7.7
267.21027	4.1
269.19022	6.9
269.22491	2.8
273.18521	4.2
273.25766	35.0
283.24118	5.2
287.20071	18.1
289.21649	3.9
291.19547	7.2
301.21625	5.0
305.21210	13.7
319.22821	3.0
365.20953	4.4
394.27844	2.9
397.30643	4.0
403.33548	5.8
421.34674	18.3
439.36020	59.5
457.25995	7.8
457.37186	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	457.3675
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
55.05514	14.1
57.07070	9.0
58.86654	2.0
67.05504	19.1
69.03426	3.5
69.06808	1.8
69.07073	20.4
69.62039	13.8
75.15105	1.9
79.05489	13.6
81.07056	41.7
83.08612	9.7
83.47714	2.0
91.05469	15.7
93.07047	33.2
93.48487	2.1
95.04960	2.9
95.08608	60.6
97.06543	4.1
97.10157	3.6
105.07034	25.4
107.08595	100.0
107.09326	4.9
108.17266	2.0
109.06522	4.3
109.10156	39.8
115.05409	2.2
117.07027	4.3
119.07812	3.4
119.08580	29.3
121.06542	2.0
121.10142	52.1
123.08060	8.0
123.11710	40.7
124.66539	1.9
125.09618	6.3
130.98238	2.1
131.08568	11.8
133.10132	63.1
134.91371	1.9
135.11691	46.3
137.13254	12.9
139.11172	5.2
142.07820	3.3
143.08553	7.5
145.10149	14.1
147.07999	2.8
147.11684	17.8
149.09604	5.7
149.13252	26.4
151.11203	18.3
151.14847	9.9
155.08481	3.0
156.09393	3.1
157.10091	12.0
159.11717	21.4
161.13269	15.4
163.11162	3.0
163.14851	9.3
165.12708	3.3
169.10124	5.1
169.12244	4.8
171.11691	14.0
173.13266	14.1
175.14810	10.3
175.97267	2.3
177.16429	6.5
179.14322	7.3
183.11665	7.3
185.13269	11.3
187.14865	9.2
189.12700	3.5
189.16429	5.7
196.12361	3.1
197.13261	8.3
199.14873	8.0
201.16400	8.8
203.14346	4.1
203.18030	2.6
209.13309	5.5
211.14806	5.9
213.16365	5.7
215.17937	6.3
223.14812	2.7
224.15549	2.5
224.31863	2.4
225.16316	2.9
227.17975	7.5
229.19504	3.7
231.21242	3.0
237.16325	2.8
239.17996	4.0
241.19624	8.0
243.17471	2.5
253.19601	4.8
257.19000	4.4
259.20609	7.2
262.75836	2.2
265.19623	3.0
267.21054	13.6
269.19162	3.4
271.20932	4.7
271.24228	26.4
273.22229	2.2
273.25775	6.0
281.22568	4.5
283.20654	5.9
285.22079	24.7
287.20151	3.6
289.25272	14.5
299.23697	5.9
301.21646	5.2
303.23196	4.0
305.21051	2.8
378.72375	2.2
403.33658	11.3
421.34644	40.5
439.35770	48.5
457.36942	23.3
465.14099	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	457.3675
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
55.05507	13.0
57.07069	6.8
58.30224	2.7
59.64426	3.2
67.05507	19.7
69.07072	23.4
69.62733	19.3
79.05481	13.9
81.06596	4.4
81.07054	41.0
83.08609	11.1
83.09053	3.7
84.34602	2.6
91.05467	14.5
93.07048	42.4
95.04929	3.8
95.08603	58.2
97.10184	7.4
105.07030	30.9
107.08591	100.0
109.06490	6.8
109.10152	37.5
117.07045	5.0
119.08593	30.0
121.10143	55.6
123.08092	6.4
123.11692	44.4
125.09689	7.3
131.08563	13.5
133.06529	3.1
133.10130	73.8
135.08076	3.8
135.11687	51.4
137.13237	15.3
139.11194	7.0
143.08557	5.7
145.10071	16.6
147.11676	24.9
149.09647	4.9
149.13254	28.5
151.11165	23.0
151.14806	9.9
157.10144	16.9
159.11665	20.7
161.13272	18.3
163.14804	11.3
165.12755	5.6
169.10133	9.6
169.12285	6.8
171.11700	16.2
173.13229	14.3
175.14830	8.7
177.16522	6.0
179.14319	10.4
183.11676	7.1
185.13280	14.0
187.14819	12.4
189.16370	11.2
191.17853	3.3
197.13246	9.3
199.14844	4.6
201.16411	14.3
203.14346	4.0
203.18019	4.4
205.15723	2.7
209.13321	5.0
211.14839	8.5
213.16330	4.5
215.17993	9.8
219.17630	3.0
223.14819	4.8
225.16400	4.5
227.17943	5.0
227.78871	3.0
228.18745	3.6
229.19505	3.9
239.17981	6.9
241.19466	10.7
243.21024	4.2
253.19485	5.9
255.21059	3.2
257.19125	4.5
257.22574	3.7
259.20593	10.9
265.19574	5.1
267.21146	18.5
269.19098	3.1
269.22916	3.3
271.21091	4.2
271.24197	29.4
281.22513	3.4
283.20688	5.4
285.22156	29.2
289.22195	4.2
289.25125	20.1
299.23712	7.1
403.33636	10.7
421.34692	48.7
439.35831	46.0
457.37146	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	457.3676
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
51.02355	1.2
52.21691	1.0
53.03947	2.6
55.01862	1.3
55.05509	14.1
56.96583	1.1
57.07069	4.6
59.04973	1.1
60.26922	0.9
63.64550	1.1
67.05502	21.2
69.03419	2.1
69.07071	21.9
71.04990	1.6
79.05487	11.9
81.03436	1.6
81.07054	35.0
81.84236	1.3
83.04972	1.7
83.08617	10.7
85.06571	1.2
85.22635	1.1
91.05485	12.2
93.07043	24.1
95.04967	3.8
95.08606	100.0
97.06552	3.0
97.10168	5.0
105.07024	31.0
105.57470	1.1
107.04973	2.2
107.08588	40.1
109.06527	3.2
109.10154	29.0
111.08105	5.7
111.11726	1.1
113.09646	9.2
117.06998	5.6
119.08580	45.0
121.06537	2.3
121.10143	35.0
123.08070	3.9
123.11703	19.7
125.09668	2.4
128.06244	1.6
129.07014	4.0
131.08560	13.7
133.06526	1.4
133.10124	31.5
135.08035	2.8
135.11684	18.8
137.09601	2.0
137.13254	11.0
139.11214	3.1
141.07004	1.5
142.07764	1.8
143.08551	11.2
144.09285	1.7
145.10132	24.2
147.11682	20.7
149.09587	2.0
149.13252	15.7
151.11209	1.4
151.14827	4.0
153.12706	2.4
155.08574	4.6
156.09419	2.0
157.06467	1.4
157.10112	13.1
158.10818	1.2
159.11691	18.5
160.12419	1.3
161.13246	17.0
163.11205	1.5
163.14767	6.5
165.12682	1.3
169.10167	6.2
170.10936	1.5
171.11684	11.5
173.09665	1.9
173.13280	16.9
175.14825	12.3
177.12811	3.5
177.16386	7.3
179.14381	2.9
181.10217	2.3
183.11723	5.3
185.09595	1.3
185.13202	5.5
187.11220	1.1
187.14859	10.7
189.12778	2.4
189.16382	6.1
191.14319	2.6
191.17903	6.3
193.15865	1.8
195.11658	3.0
197.13254	8.4
199.14839	11.5
200.15579	1.7
201.16382	10.3
203.14517	1.4
203.17934	13.3
205.15877	1.5
205.19508	1.9
207.17407	1.5
209.13242	3.8
211.14827	4.8
213.16386	7.9
215.14400	2.0
215.17909	11.5
217.15881	3.0
217.19441	5.6
219.17473	3.4
223.14749	2.5
225.16400	4.8
227.17940	6.1
229.15923	1.7
229.19455	6.0
230.07648	1.3
231.17409	2.7
231.21078	2.0
233.19012	2.7
235.14682	1.1
237.16454	1.8
239.17987	4.6
241.19547	4.7
243.17500	1.2
243.21046	6.6
245.18956	3.2
251.18044	3.0
253.19571	3.4
255.21127	4.1
257.19159	1.5
259.20538	2.6
261.22229	2.1
265.19519	3.2
267.21036	5.7
269.19107	2.4
269.22668	3.5
271.20291	1.6
271.24182	4.3
279.21121	1.8
281.22845	1.7
283.20621	1.8
285.22211	3.0
291.21161	1.6
293.22638	1.4
295.24213	2.1
297.25818	3.2
299.23563	1.4
301.21603	2.0
309.25781	2.4
333.25659	1.6
377.32080	2.7
379.29523	1.5
383.22107	1.5
391.33603	3.4
393.35498	1.3
403.33575	21.8
409.34695	2.8
410.66370	1.3
411.32590	1.4
421.34637	48.8
427.35422	1.4
439.35785	20.5
457.26285	5.1
457.37030	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	458.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77486	0.6
53.03946	0.9
55.01854	1.1
55.05506	1.3
56.05024	0.7
57.03421	1.4
61.02930	1.0
66.39550	0.6
67.05507	1.6
69.03426	8.1
69.07050	0.7
70.06602	3.6
71.04973	1.6
71.49455	1.3
72.08138	2.4
74.09769	0.6
75.18365	0.7
75.43033	0.6
75.96137	0.6
79.05484	1.5
81.03387	4.2
81.07049	1.7
83.04980	1.8
83.08595	0.7
84.04467	0.7
84.08131	2.2
85.02907	11.9
85.06566	0.9
86.09702	3.9
87.04442	1.1
91.05491	3.1
92.05066	0.7
93.07023	2.0
95.04981	1.2
95.08591	1.0
96.93127	0.7
97.02895	4.7
97.06552	1.2
98.98461	1.7
99.04477	1.1
105.07022	2.9
107.04954	0.7
107.08606	1.6
109.02840	1.9
111.04443	1.3
116.07073	1.0
119.08569	1.5
120.08127	0.9
121.06511	4.3
121.10120	0.9
122.07298	0.8
123.08126	0.7
124.07603	0.8
124.70426	0.7
125.02264	0.8
127.03925	2.6
129.10167	1.0
131.08562	2.2
132.08058	2.5
133.10107	1.5
134.05943	1.1
134.09610	1.1
136.07578	2.0
137.05959	0.7
137.08331	1.9
145.04892	1.7
147.06783	1.6
147.07990	0.8
148.07491	3.9
148.11217	3.1
149.08385	4.2
150.09099	1.5
160.07465	0.8
161.08376	8.4
162.09128	8.8
164.10713	48.6
165.11034	0.8
174.09177	1.0
176.10706	100.0
177.07790	0.8
177.11105	2.0
178.12251	6.6
201.05392	0.7
204.10268	1.8
208.13324	62.9
233.03873	0.8
236.12801	46.6
237.13135	1.1
264.12299	14.3
267.15897	0.8
268.15997	1.6
285.09958	1.4
285.17163	0.8
286.17477	1.6
296.14920	22.2
299.32800	0.7
326.16052	3.0
338.16022	1.1
370.18494	7.8
398.18106	33.5
399.18460	1.6
426.17633	9.2
458.19943	7.9
458.24579	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	458.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.01875	0.3
55.05503	0.9
55.93521	0.3
56.05035	3.1
57.03434	0.3
61.02911	0.5
64.63323	0.2
64.73837	0.2
67.05508	0.6
69.03423	1.3
70.06600	1.3
71.05004	0.4
71.49314	0.3
72.08163	0.5
73.02930	0.2
79.05474	0.5
81.03417	0.9
81.07059	0.3
82.06564	0.3
83.06095	0.4
84.04507	0.3
84.08143	100.0
85.02898	2.9
85.08475	0.8
86.09705	0.5
87.04460	0.3
92.08086	0.2
93.04556	0.2
93.07050	0.6
95.04956	0.7
95.06081	0.4
96.08113	0.3
97.02903	1.6
104.96729	0.2
106.14264	0.2
107.04975	0.7
107.08607	0.3
109.02872	0.3
109.06546	0.3
110.07172	1.7
110.09701	0.3
111.08056	0.2
121.06519	0.2
123.04401	0.5
123.08061	0.3
125.02357	0.9
126.09152	0.9
127.03877	0.5
128.10721	0.5
129.10303	0.2
131.04886	0.3
134.09636	0.3
135.04428	0.3
136.11232	0.7
145.04904	0.2
149.06006	0.3
150.09142	0.7
151.03906	0.7
152.10725	0.4
156.07695	0.2
162.09111	0.4
165.05444	0.4
167.14386	0.2
178.08540	0.3
180.10194	6.5
190.12187	0.2
198.11212	0.4
203.07248	0.2
204.13770	0.2
208.02980	0.3
208.09692	6.0
226.10681	0.5
229.15472	0.4
232.13382	0.3
234.14757	0.3
242.11707	0.3
252.15987	0.3
260.12744	1.6
264.12109	0.3
278.13873	10.6
279.14108	0.4
296.14926	8.7
398.83020	0.2
412.24249	0.5
440.18933	0.6
458.20044	13.6
458.24960	1.2
459.20114	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	458.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77486	0.6
53.03946	0.9
55.01854	1.1
55.05506	1.3
56.05024	0.7
57.03421	1.4
61.02930	1.0
66.39550	0.6
67.05507	1.6
69.03426	8.1
69.07050	0.7
70.06602	3.6
71.04973	1.6
71.49455	1.3
72.08138	2.4
74.09769	0.6
75.18365	0.7
75.43033	0.6
75.96137	0.6
79.05484	1.5
81.03387	4.2
81.07049	1.7
83.04980	1.8
83.08595	0.7
84.04467	0.7
84.08131	2.2
85.02907	11.9
85.06566	0.9
86.09702	3.9
87.04442	1.1
91.05491	3.1
92.05066	0.7
93.07023	2.0
95.04981	1.2
95.08591	1.0
96.93127	0.7
97.02895	4.7
97.06552	1.2
98.98461	1.7
99.04477	1.1
105.07022	2.9
107.04954	0.7
107.08606	1.6
109.02840	1.9
111.04443	1.3
116.07073	1.0
119.08569	1.5
120.08127	0.9
121.06511	4.3
121.10120	0.9
122.07298	0.8
123.08126	0.7
124.07603	0.8
124.70426	0.7
125.02264	0.8
127.03925	2.6
129.10167	1.0
131.08562	2.2
132.08058	2.5
133.10107	1.5
134.05943	1.1
134.09610	1.1
136.07578	2.0
137.05959	0.7
137.08331	1.9
145.04892	1.7
147.06783	1.6
147.07990	0.8
148.07491	3.9
148.11217	3.1
149.08385	4.2
150.09099	1.5
160.07465	0.8
161.08376	8.4
162.09128	8.8
164.10713	48.6
165.11034	0.8
174.09177	1.0
176.10706	100.0
177.07790	0.8
177.11105	2.0
178.12251	6.6
201.05392	0.7
204.10268	1.8
208.13324	62.9
233.03873	0.8
236.12801	46.6
237.13135	1.1
264.12299	14.3
267.15897	0.8
268.15997	1.6
285.09958	1.4
285.17163	0.8
286.17477	1.6
296.14920	22.2
299.32800	0.7
326.16052	3.0
338.16022	1.1
370.18494	7.8
398.18106	33.5
399.18460	1.6
426.17633	9.2
458.19943	7.9
458.24579	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	458.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.05512	0.5
56.05039	3.2
56.96571	0.4
57.03436	0.4
61.02924	0.4
67.05513	0.8
69.03428	1.9
70.06599	1.0
70.75109	0.7
70.75473	0.5
71.04961	0.4
73.02934	0.3
79.05518	0.3
81.03426	1.2
82.06602	0.3
84.08148	100.0
85.02903	2.7
85.08482	0.4
87.04470	0.3
91.05498	0.3
93.07057	0.5
94.58284	0.3
95.04978	0.5
97.02905	1.7
98.06130	0.4
98.97617	0.7
101.23410	0.3
107.04983	1.3
107.05613	0.3
109.02888	0.5
109.06538	0.3
110.09709	0.4
110.76738	0.3
116.98620	0.5
117.06988	0.3
119.04952	0.3
123.04390	0.3
125.30478	0.3
126.09186	0.9
127.03944	0.6
128.10744	0.9
135.04427	0.4
136.07680	0.3
136.11249	0.5
145.05135	0.3
146.99648	0.3
149.06081	0.3
150.09138	1.7
151.03925	0.4
152.10721	1.1
154.34561	0.3
158.99675	0.3
159.95541	0.3
160.07555	0.2
161.01303	0.3
162.09242	0.8
162.12805	0.7
165.05545	0.5
177.00729	0.7
177.05502	0.6
178.08600	0.6
179.09430	0.3
180.10197	10.1
190.12463	0.4
198.11279	0.5
200.96164	0.3
208.09702	12.6
214.12253	0.4
219.01805	0.5
226.10730	0.7
232.13403	0.4
234.14984	0.7
237.02869	1.1
241.06223	0.3
248.12856	0.9
252.15952	1.1
260.12839	2.7
278.13901	14.3
296.14935	15.0
440.19424	0.5
458.20285	19.8
459.20648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
56.05020	0.4
56.96550	0.3
67.05476	0.3
69.03411	0.9
69.04539	1.0
69.07059	0.6
69.52543	1.2
69.52953	0.8
69.74133	0.3
70.06589	1.9
72.08144	1.3
73.02897	0.4
74.06052	0.8
81.07051	0.4
84.04480	0.8
84.08131	1.1
85.02893	1.0
86.09711	1.8
91.05470	0.7
93.07014	0.4
95.04926	0.5
97.02893	0.7
98.97551	0.4
100.07632	0.4
102.05486	0.4
107.03518	0.3
107.04865	0.3
109.05122	0.4
110.07156	0.3
116.98614	0.4
120.06558	1.0
120.08120	0.5
124.03940	0.6
129.10243	0.4
134.04622	10.2
135.02975	0.8
140.02754	0.7
147.04401	0.5
151.03931	0.3
152.05688	1.8
161.01186	0.4
165.02307	11.3
167.02625	1.2
178.03558	0.9
182.04962	80.0
183.03378	0.6
183.05272	0.4
193.00514	0.7
208.02882	100.0
209.03151	1.2
297.18359	1.4
314.08994	1.4
327.08694	56.9
328.08948	0.6
340.07147	1.2
459.17941	1.1
459.23267	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	459.2416
Annotation	fumagillin
Peak:m/z	Relative Intensity
51.57980	1.1
53.03954	2.4
55.01869	1.3
55.05515	8.9
56.96571	2.3
57.03445	3.0
57.07074	3.3
59.04992	1.6
67.05512	7.5
69.03423	4.2
69.07063	8.8
70.06582	3.9
71.04984	2.5
71.48689	1.7
72.08146	4.0
73.02917	1.4
74.06095	2.1
79.05495	9.2
81.03426	4.3
81.07051	13.3
82.11210	1.0
83.04984	2.6
83.08629	4.0
84.04488	1.1
84.08157	7.5
85.02891	4.3
85.06565	1.9
85.08472	1.4
86.09709	20.3
89.07165	2.4
89.65642	1.1
91.05471	13.5
93.07047	13.0
95.04970	4.2
95.08601	12.7
97.02898	2.3
97.06519	5.7
97.10176	5.8
98.97614	1.2
99.08105	1.7
105.07031	21.8
106.43340	1.0
107.04942	1.9
107.08595	11.1
109.06522	3.1
109.10165	11.7
111.08102	2.1
113.09648	1.2
115.05527	1.3
116.98620	1.3
117.07021	6.1
118.50348	1.0
119.08586	14.5
120.08130	1.1
121.06509	3.4
121.10143	10.9
123.08063	4.9
123.11708	4.7
125.09664	3.5
126.05462	1.4
128.06233	2.2
129.07010	6.7
131.08565	27.6
133.10110	12.8
135.08047	2.1
135.11681	6.2
137.05980	3.3
137.09642	2.5
137.13274	1.2
139.11223	1.2
141.06987	5.3
142.07787	2.5
143.08582	17.0
144.09271	1.7
145.06346	2.0
145.10133	16.2
146.09631	6.5
147.04376	1.4
147.08058	2.1
147.09985	5.4
147.11708	6.7
149.09627	2.5
149.13206	1.6
151.07578	9.4
155.08524	16.0
156.09343	3.7
157.10143	20.6
159.08119	1.8
159.11684	21.3
160.11200	1.4
161.05980	2.3
161.09595	1.7
161.11652	2.8
161.13290	4.8
163.11208	1.2
165.12779	2.6
167.07060	2.9
167.10722	1.2
168.09312	1.6
169.10129	24.7
169.11429	2.1
170.10910	3.5
171.08206	1.3
171.11694	18.9
173.09651	1.5
173.13272	8.0
175.11345	2.2
177.09338	1.6
177.12840	2.2
179.14268	2.1
181.01785	1.3
181.10147	2.4
182.10934	3.0
183.11713	15.8
184.12503	1.8
185.13264	16.4
187.14810	4.7
189.12788	2.7
189.16451	1.8
191.10701	2.7
191.14412	3.0
193.12268	1.9
195.11700	1.5
196.12471	2.7
197.09346	2.9
197.13263	23.5
198.14148	1.4
199.14827	9.0
201.12642	2.7
201.16472	3.6
203.14253	1.8
205.12260	1.5
209.13327	2.6
210.13989	1.8
211.13139	2.4
211.14833	12.5
213.16373	9.1
215.07121	1.4
215.10327	2.2
215.14340	3.0
217.15942	2.5
224.15598	1.5
225.16347	7.9
227.17958	2.3
229.15903	2.6
239.17953	20.1
240.18871	1.7
241.19521	6.3
243.17378	2.9
243.21164	3.1
253.19553	5.0
255.09021	1.3
257.19031	4.8
257.22394	1.6
267.21075	53.6
268.21820	22.1
271.20538	2.0
273.10153	2.3
278.13858	2.6
279.13931	2.8
285.22125	100.0
286.22760	8.5
297.16800	2.1
303.23215	5.1
367.22882	2.4
399.13260	1.5
405.20795	3.4
423.21753	10.6
441.22913	5.4
459.19308	2.9
459.25394	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	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01861	11.5
55.05510	67.7
57.03423	7.2
67.05502	57.0
69.03402	6.0
69.07065	24.9
71.04974	6.7
71.50068	4.6
74.78242	2.9
79.05496	65.2
81.03416	9.9
81.07059	55.8
83.04972	8.0
83.08613	35.4
84.08159	2.9
85.06542	4.9
91.05482	54.6
93.07040	31.4
95.04981	15.2
95.08614	30.6
97.06536	8.1
97.10169	60.4
98.06320	3.6
98.26186	2.9
101.09621	2.5
103.05467	28.1
105.03335	2.8
105.07033	47.3
106.41142	2.9
107.04943	9.0
107.08595	40.6
109.06535	6.1
109.10166	19.5
111.08118	3.4
115.05467	14.8
117.07006	60.2
117.07776	4.7
119.08578	23.7
121.06512	4.4
121.10162	14.4
123.08117	3.6
125.09634	47.7
128.06232	9.0
129.07005	29.8
131.04982	7.5
131.08563	47.9
133.06476	16.4
133.10124	11.2
135.08051	15.4
135.11674	6.0
137.09627	4.5
141.06995	16.5
142.07756	4.4
143.08548	21.4
143.10675	3.2
145.06488	20.0
145.10120	20.6
147.04373	3.0
147.08066	8.1
147.11731	5.5
149.09605	10.1
151.11133	4.1
153.07088	3.3
153.09178	7.1
154.07835	3.5
155.08543	21.2
156.09370	4.3
157.06493	7.1
157.10124	12.2
159.08023	9.5
159.11688	12.0
163.14842	3.6
165.06975	4.7
167.08540	8.2
169.10187	15.4
171.08046	5.9
171.11676	13.0
173.09563	3.9
173.13220	7.7
179.08531	3.6
181.10136	5.5
182.10938	3.7
183.08139	3.1
183.11668	7.0
185.09651	4.3
185.13248	4.4
187.14786	19.9
189.11243	33.6
193.12312	4.0
195.11732	6.9
197.13232	25.8
199.11191	4.6
203.10542	4.1
211.11157	4.3
213.12712	5.8
215.14294	98.4
218.05478	3.0
223.14833	3.3
227.12708	34.1
233.15318	5.6
237.12706	3.6
241.12242	3.7
245.13779	4.4
255.13675	3.5
269.15387	3.7
271.16882	8.4
283.16898	2.9
321.22150	3.7
331.20178	3.3
339.23166	11.1
349.21710	22.2
367.22656	46.0
369.52972	3.3
370.70758	3.2
385.23676	31.1
403.24738	10.2
441.26273	67.7
441.32776	3.7
459.27417	100.0
459.33755	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	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01876	5.6
55.05512	24.4
57.03443	5.2
57.07074	1.8
59.04985	1.2
65.03927	2.4
67.05505	27.9
69.03420	3.7
69.07069	10.2
71.04978	2.9
71.36007	1.2
75.54665	0.7
77.03923	1.6
79.05022	1.6
79.05493	33.3
81.03418	88.6
81.07053	27.0
83.04971	5.7
83.08620	22.3
85.02906	1.8
85.06542	1.5
91.05480	33.5
93.07045	19.2
95.04967	31.8
95.08608	13.3
97.02888	2.9
97.06521	5.2
97.10169	14.1
103.05477	2.2
105.07034	25.1
107.04954	15.7
107.08589	13.2
109.02853	0.9
109.06509	6.3
109.10146	9.8
111.04468	1.4
111.08078	8.9
115.05442	3.2
116.06266	1.1
117.07017	9.4
119.04988	0.9
119.08578	17.0
121.06505	12.0
121.10136	10.1
123.04413	2.2
123.08062	5.2
123.11708	1.6
125.05959	0.8
125.09631	9.8
128.06241	2.5
129.07011	17.3
131.04948	5.0
131.08571	16.6
133.06502	7.6
133.10123	8.5
135.04442	1.8
135.08054	5.1
135.11671	2.5
137.05962	1.8
137.09601	3.4
141.06944	3.6
142.07822	3.6
143.08559	6.3
143.10655	1.7
144.05713	1.8
145.06491	21.0
145.10123	6.0
146.07196	0.8
147.04446	0.9
147.08046	7.4
147.11676	9.9
149.05946	1.1
149.09630	6.7
149.13283	0.8
151.07535	5.8
151.11122	1.5
153.07042	0.9
153.09135	2.6
155.08565	6.0
156.09459	0.9
157.06503	4.6
157.10114	14.7
159.08060	5.2
159.11710	2.5
161.06026	3.9
161.09642	2.5
161.13321	0.9
163.11217	1.8
165.09105	3.7
165.12772	3.0
167.08508	1.7
168.09230	0.9
169.06509	1.6
169.10060	4.3
171.08055	5.6
171.11717	2.8
173.09593	2.6
173.13196	1.7
175.11183	11.9
177.12759	0.9
181.06633	0.7
181.10086	1.9
181.47885	0.7
183.08020	2.6
183.11694	2.5
185.09648	3.2
185.13248	3.0
187.11270	1.9
187.14810	1.4
189.09215	1.7
189.11237	4.7
189.12750	2.0
191.10716	1.8
193.12245	49.8
195.07979	1.0
195.11682	3.6
197.09659	2.2
197.13286	3.1
199.11179	2.4
203.14354	1.7
205.12306	1.6
209.09624	1.8
209.13231	1.3
211.11205	2.4
211.13226	1.8
213.08986	0.7
213.12724	2.8
215.14320	3.3
217.12320	0.8
219.11748	1.0
219.13625	0.8
223.11275	1.3
225.12805	2.1
227.14337	2.0
231.13861	2.8
233.15378	3.7
235.11214	1.1
237.12790	2.9
239.14445	1.1
245.15266	1.0
247.13242	0.9
249.12712	0.9
249.14893	4.5
255.13809	5.6
257.15454	1.1
259.13266	1.2
269.15427	1.1
271.16965	1.4
273.14850	17.3
275.16754	1.1
277.18155	1.1
281.15341	1.2
283.16983	0.9
287.16348	1.8
299.16495	1.4
301.17822	0.8
321.22275	0.9
331.20529	2.1
339.23242	5.2
349.21603	12.7
357.24161	4.5
367.22647	33.0
385.18799	1.5
385.23749	31.0
386.24484	1.1
387.23120	0.9
395.25891	0.8
403.24738	7.2
405.24066	3.1
423.25269	1.2
441.26425	6.7
441.32428	1.1
459.27417	100.0
460.27667	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	459.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01873	2.7
55.05511	42.2
56.96577	1.1
57.03436	2.0
57.07066	2.1
59.05001	0.9
62.93722	0.7
65.03936	1.5
67.05499	16.8
69.03446	4.3
69.07072	20.0
69.76891	0.8
71.04999	1.9
71.08632	1.7
71.49702	0.9
72.23042	0.7
74.23397	0.7
79.05494	9.4
81.03422	7.9
81.06602	1.8
81.07051	21.3
83.04526	0.7
83.04977	4.7
83.08618	6.1
84.04502	3.7
85.02917	1.8
85.06551	1.8
87.04483	1.2
91.05476	10.4
93.07037	11.7
95.04985	8.8
95.08607	20.2
96.08900	0.9
97.06535	10.0
97.10170	78.7
98.97586	0.8
99.04474	1.2
99.08070	1.9
105.07043	10.2
107.04954	3.8
107.08592	8.4
109.06525	3.7
109.10165	11.9
111.04471	2.6
111.08071	1.9
111.11726	2.6
115.05437	0.9
117.07038	3.7
119.08591	6.8
121.06509	3.5
121.10146	7.4
123.08070	12.3
123.11681	5.2
125.09637	17.8
128.06198	1.8
129.07014	2.7
130.05022	3.5
131.05066	0.7
131.08609	6.1
133.06499	2.0
133.10139	5.1
135.08063	6.6
135.11705	3.1
137.09644	2.9
137.13255	1.9
139.07556	1.6
139.11156	5.2
141.07025	1.7
142.07794	1.1
143.08592	4.0
143.10674	32.9
145.06496	3.4
145.10126	3.8
147.07982	2.0
147.11714	3.8
149.09644	3.5
149.13306	1.2
151.07542	100.0
151.11192	3.3
152.07845	1.0
153.09087	1.5
155.08542	1.7
157.10155	2.2
157.12247	3.3
159.08073	2.9
159.11708	4.0
161.05974	2.3
161.09644	4.2
161.13190	0.9
163.11226	3.4
165.05565	0.8
165.09097	6.5
165.12831	1.6
167.07106	1.9
167.08501	1.2
167.10788	0.8
169.10141	1.3
171.08089	1.1
171.10251	1.8
171.11702	2.4
173.09665	2.3
173.13269	2.0
175.07521	2.0
175.11191	6.0
176.08334	2.2
177.09106	12.0
179.08495	1.3
181.12270	1.1
183.08055	1.4
183.11749	1.7
185.09612	1.9
185.13264	1.6
187.11214	3.3
187.14833	1.1
189.09175	4.0
189.11234	7.7
189.12852	2.1
191.10663	27.6
193.08591	2.1
193.12257	3.5
197.13293	1.0
199.11180	3.0
199.14859	1.9
201.12801	1.6
203.10699	4.0
205.12277	8.2
213.12798	0.9
215.10768	1.4
215.14427	1.7
217.12318	1.4
229.12206	1.5
231.13643	0.8
233.15227	1.5
235.17082	0.8
241.16055	1.1
245.15691	0.9
251.20201	1.2
255.13841	1.6
257.15314	1.4
259.16919	1.8
269.18613	0.9
273.14948	1.6
273.18530	0.9
277.21741	1.5
279.23080	0.9
285.18451	1.3
285.21564	1.0
291.07919	1.4
291.23206	1.4
293.21143	1.1
294.21564	3.1
297.20746	1.4
303.19626	2.6
311.12869	0.9
317.21097	1.3
321.16730	1.3
339.23068	1.5
345.20654	1.1
349.21509	2.4
355.15439	1.0
357.24377	1.4
367.22641	6.5
385.23608	6.4
403.20166	0.8
423.28906	2.3
436.57751	0.8
441.29828	7.5
459.21207	1.0
459.27240	16.2
459.34045	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	459.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01873	2.7
55.05511	42.2
56.96577	1.1
57.03436	2.0
57.07066	2.1
59.05001	0.9
62.93722	0.7
65.03936	1.5
67.05499	16.8
69.03446	4.3
69.07072	20.0
69.76891	0.8
71.04999	1.9
71.08632	1.7
71.49702	0.9
72.23042	0.7
74.23397	0.7
79.05494	9.4
81.03422	7.9
81.06602	1.8
81.07051	21.3
83.04526	0.7
83.04977	4.7
83.08618	6.1
84.04502	3.7
85.02917	1.8
85.06551	1.8
87.04483	1.2
91.05476	10.4
93.07037	11.7
95.04985	8.8
95.08607	20.2
96.08900	0.9
97.06535	10.0
97.10170	78.7
98.97586	0.8
99.04474	1.2
99.08070	1.9
105.07043	10.2
107.04954	3.8
107.08592	8.4
109.06525	3.7
109.10165	11.9
111.04471	2.6
111.08071	1.9
111.11726	2.6
115.05437	0.9
117.07038	3.7
119.08591	6.8
121.06509	3.5
121.10146	7.4
123.08070	12.3
123.11681	5.2
125.09637	17.8
128.06198	1.8
129.07014	2.7
130.05022	3.5
131.05066	0.7
131.08609	6.1
133.06499	2.0
133.10139	5.1
135.08063	6.6
135.11705	3.1
137.09644	2.9
137.13255	1.9
139.07556	1.6
139.11156	5.2
141.07025	1.7
142.07794	1.1
143.08592	4.0
143.10674	32.9
145.06496	3.4
145.10126	3.8
147.07982	2.0
147.11714	3.8
149.09644	3.5
149.13306	1.2
151.07542	100.0
151.11192	3.3
152.07845	1.0
153.09087	1.5
155.08542	1.7
157.10155	2.2
157.12247	3.3
159.08073	2.9
159.11708	4.0
161.05974	2.3
161.09644	4.2
161.13190	0.9
163.11226	3.4
165.05565	0.8
165.09097	6.5
165.12831	1.6
167.07106	1.9
167.08501	1.2
167.10788	0.8
169.10141	1.3
171.08089	1.1
171.10251	1.8
171.11702	2.4
173.09665	2.3
173.13269	2.0
175.07521	2.0
175.11191	6.0
176.08334	2.2
177.09106	12.0
179.08495	1.3
181.12270	1.1
183.08055	1.4
183.11749	1.7
185.09612	1.9
185.13264	1.6
187.11214	3.3
187.14833	1.1
189.09175	4.0
189.11234	7.7
189.12852	2.1
191.10663	27.6
193.08591	2.1
193.12257	3.5
197.13293	1.0
199.11180	3.0
199.14859	1.9
201.12801	1.6
203.10699	4.0
205.12277	8.2
213.12798	0.9
215.10768	1.4
215.14427	1.7
217.12318	1.4
229.12206	1.5
231.13643	0.8
233.15227	1.5
235.17082	0.8
241.16055	1.1
245.15691	0.9
251.20201	1.2
255.13841	1.6
257.15314	1.4
259.16919	1.8
269.18613	0.9
273.14948	1.6
273.18530	0.9
277.21741	1.5
279.23080	0.9
285.18451	1.3
285.21564	1.0
291.07919	1.4
291.23206	1.4
293.21143	1.1
294.21564	3.1
297.20746	1.4
303.19626	2.6
311.12869	0.9
317.21097	1.3
321.16730	1.3
339.23068	1.5
345.20654	1.1
349.21509	2.4
355.15439	1.0
357.24377	1.4
367.22641	6.5
385.23608	6.4
403.20166	0.8
423.28906	2.3
436.57751	0.8
441.29828	7.5
459.21207	1.0
459.27240	16.2
459.34045	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	459.3848
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
55.05512	19.1
57.07067	9.9
61.02914	4.3
67.05504	23.9
69.03428	7.6
69.07079	24.8
69.62022	3.4
70.46638	3.2
71.08630	3.2
71.25380	3.1
71.50153	4.4
79.05499	17.9
81.03413	7.5
81.07053	55.4
83.08614	13.2
85.06525	5.0
89.05991	8.4
91.05492	20.4
93.07053	38.9
95.04963	9.4
95.08607	100.0
97.02892	5.8
97.10137	8.8
98.06854	4.2
105.07025	45.2
107.04949	5.8
107.08595	71.4
109.10155	60.5
111.08082	6.0
116.65063	3.5
117.06994	8.6
119.08587	42.4
121.10149	53.7
123.08057	11.8
123.11691	27.0
125.09644	12.0
131.08566	13.6
133.06487	5.5
133.10109	26.8
135.08026	13.5
135.11678	40.9
137.13272	12.7
145.10159	21.4
147.11667	27.2
149.09573	3.6
149.13271	19.5
151.07585	9.3
155.08524	3.8
157.10138	7.5
159.11694	27.2
161.09593	4.0
161.13239	19.8
163.11150	5.6
163.14838	13.9
167.03299	4.6
171.11641	6.1
173.13272	8.0
175.14854	12.9
177.12781	5.1
177.16365	6.1
187.11171	12.6
187.14833	8.2
189.16360	18.5
191.10664	8.6
191.14316	4.4
191.17958	65.0
201.16391	22.8
203.17920	21.6
205.15817	4.8
205.19400	4.2
207.17369	9.3
213.16393	5.0
215.17987	5.1
217.19516	12.0
219.17479	11.7
233.19028	8.9
241.19534	4.3
255.09111	3.9
257.06967	4.2
279.16235	3.6
294.25433	4.5
295.17291	5.3
297.17105	6.8
315.26572	3.8
341.27966	4.1
423.36456	27.9
441.38177	22.6
459.28644	3.3
459.38193	12.3
467.88040	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	459.3829
Annotation	Primulagenin A
Peak:m/z	Relative Intensity
55.05505	6.6
57.07051	2.6
67.05502	7.6
69.07059	16.5
70.75762	4.6
70.76096	2.6
79.05479	6.9
81.07054	20.0
83.08611	7.2
91.05470	7.8
93.07040	30.3
95.04985	2.7
95.08610	43.8
97.06525	2.9
97.10191	2.5
98.20891	2.0
99.08090	4.3
101.06034	3.3
105.07015	14.6
107.08591	50.7
109.10154	18.8
111.08068	4.1
111.11720	5.2
111.12473	2.2
117.07021	2.4
119.08566	22.9
121.10143	46.2
123.11715	13.4
125.09615	3.8
131.08553	6.2
133.10114	20.7
135.11693	25.5
137.13222	3.3
139.11121	3.2
143.08508	3.0
145.10149	15.0
147.11664	18.9
149.13254	41.3
157.10110	5.1
159.11676	21.8
161.13255	8.9
163.14854	4.6
167.14348	4.2
171.11653	5.0
171.74400	2.2
173.13272	8.2
175.14787	6.0
177.16324	11.6
185.13255	7.2
187.14778	12.1
189.16431	4.7
191.17976	4.7
195.17468	6.2
199.14824	3.7
201.16400	22.4
203.17918	29.4
213.16376	8.2
215.17961	8.0
217.19408	2.9
223.16936	3.9
225.16249	3.5
227.17949	7.8
229.19453	4.8
233.18997	9.6
251.20035	25.2
254.50853	2.1
255.20978	2.9
267.20996	2.5
279.23145	2.4
283.24200	13.2
405.34839	5.2
423.36206	100.0
424.36438	3.6
441.37262	18.5
459.31192	2.9
459.37930	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	460.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
53.48007	0.2
55.01868	0.7
55.05519	0.4
57.03430	0.4
58.99583	3.9
61.02920	0.2
67.05510	0.6
68.05029	0.4
69.03416	1.6
69.62518	1.2
69.62928	0.4
70.06586	0.3
71.04993	0.9
73.02921	0.3
75.02731	0.4
76.02202	0.3
79.05492	1.1
80.05022	0.8
81.03416	0.8
81.07055	0.6
82.06599	0.2
85.01128	3.0
85.02907	4.6
86.00652	24.3
86.99059	2.3
88.02213	0.7
91.05495	1.1
93.07043	1.3
95.04966	4.7
96.04488	4.4
97.02892	4.8
97.03471	0.5
97.06547	0.4
99.04427	0.3
100.02169	1.5
102.03773	2.9
103.05470	0.9
105.00089	1.6
105.07025	0.4
106.06557	2.4
107.04975	2.1
108.04465	0.7
109.02876	0.9
112.25838	0.2
120.04474	0.7
121.05158	0.2
121.06509	1.7
122.02422	0.6
122.06013	0.7
123.04430	1.0
124.03952	100.0
125.04268	0.6
125.05958	0.4
126.05534	1.2
127.03923	0.7
131.01590	0.6
131.04941	0.5
132.01146	8.6
132.02147	0.5
134.06039	0.3
135.02620	0.5
135.04408	2.3
138.03702	0.3
140.03426	4.3
145.04930	0.6
145.06221	0.2
146.02705	0.3
148.07573	1.1
149.05969	4.5
150.05502	0.6
151.03896	5.2
151.21794	0.2
152.01620	0.3
152.07100	0.3
153.05457	1.1
154.03189	1.7
154.13158	0.2
156.01263	0.3
159.04326	0.2
164.01671	0.6
164.05325	0.8
164.07172	0.3
166.03189	0.9
176.07027	1.4
177.92743	0.2
178.06947	0.3
180.01192	0.3
181.03168	1.5
182.02704	25.0
183.03297	0.2
184.04286	4.3
188.05309	0.3
196.06078	0.3
200.03772	0.5
201.05701	0.3
206.06355	1.1
208.04297	0.6
210.02277	0.5
210.05846	1.8
212.03862	0.4
216.04855	0.3
224.07404	3.6
228.03246	39.2
229.03581	0.5
230.04723	1.3
234.05856	4.0
252.06891	36.2
253.07091	0.6
280.06378	5.3
298.07431	93.2
299.07813	1.6
442.11517	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	460.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03949	7.1
55.01863	6.5
55.05497	3.8
56.96561	1.5
57.03434	5.4
59.08929	0.7
60.07352	0.8
61.02930	5.1
67.05497	2.5
68.99775	2.7
69.03433	26.0
69.07076	2.4
69.25509	2.8
69.25926	7.2
70.06586	5.3
71.05004	5.2
73.02913	7.6
79.05502	5.3
81.02941	1.3
81.03422	25.2
81.07056	4.9
83.04964	1.5
83.08614	1.1
84.08125	1.5
85.02911	64.0
85.04971	0.9
86.09698	2.0
87.00833	22.3
87.04488	1.3
91.03956	1.9
91.05486	5.2
93.07037	3.8
95.04958	2.9
95.08607	2.7
97.02901	28.4
97.06528	3.8
97.10168	1.1
99.04460	12.8
103.05485	1.5
105.01868	23.1
105.07034	5.4
107.04957	28.7
107.08596	2.5
108.04497	8.0
108.05208	1.5
109.02157	1.5
109.02885	26.7
115.03922	2.5
115.05448	2.4
117.01838	2.6
117.07005	1.9
119.08576	2.2
120.08115	1.8
121.06506	1.6
123.04424	1.4
123.11707	1.2
125.05997	1.2
126.05496	2.8
127.03925	50.0
127.08694	1.3
129.01842	3.1
129.06963	1.1
131.08589	1.4
133.06450	1.8
133.10172	1.9
135.08063	10.5
136.06160	3.1
137.05936	1.1
145.04967	25.4
145.06287	1.3
145.06494	1.1
147.02882	2.6
147.08156	1.0
149.09663	1.0
159.02885	14.9
161.05943	1.1
162.94826	1.0
163.07555	35.0
165.07039	1.1
165.09172	1.8
167.07059	12.0
170.78091	0.9
175.07558	2.9
180.07855	2.0
187.07539	2.4
189.04007	2.5
189.09306	1.1
195.10178	100.0
205.08595	2.2
207.10158	3.0
213.03969	2.8
215.14325	1.2
219.09940	1.3
221.11682	2.0
229.15486	1.6
230.06586	2.8
230.70709	1.0
231.05074	7.8
237.11201	1.6
248.07793	6.3
259.09647	1.3
266.08640	1.6
285.11084	1.9
303.12280	2.4
342.66333	0.9
368.23032	1.8
386.24023	3.0
460.28348	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	460.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01860	2.5
55.05516	10.3
56.05017	4.2
56.96564	2.7
57.03437	1.8
57.07063	3.3
58.02949	1.2
60.04548	1.1
61.02918	2.0
67.05499	16.5
68.05023	3.1
69.03440	5.7
69.07071	11.0
70.01426	2.4
70.01841	3.4
74.06084	1.0
79.05489	15.1
80.05021	1.6
81.03415	5.3
81.07049	16.0
82.06571	6.7
83.04967	2.1
83.08626	5.9
85.02912	9.0
86.06056	1.2
86.09712	1.2
91.05479	10.7
93.01482	1.1
93.07047	9.9
94.06586	5.4
95.04943	3.9
95.08598	13.2
96.08125	2.9
96.45287	1.0
97.02881	5.2
97.06500	2.5
97.10177	2.9
98.06052	1.3
99.04427	1.7
105.07024	6.8
106.01926	1.2
107.08577	6.7
108.08113	2.9
108.08879	1.8
109.06561	1.5
109.10139	4.6
112.07582	1.7
114.62350	1.0
117.06977	1.9
119.08581	5.9
120.08894	1.3
121.10129	4.4
122.09690	1.6
123.11687	2.8
127.03906	2.4
131.08536	1.9
132.85547	1.1
133.10097	5.3
135.08005	1.6
135.11678	2.4
139.33607	1.0
145.04906	1.7
145.06480	1.8
145.10133	1.4
147.11650	1.9
148.12041	1.1
149.09686	1.2
151.11131	1.4
163.03870	1.5
164.10646	1.1
165.09015	1.1
167.08765	1.1
193.12311	2.4
247.08488	1.3
250.25333	6.1
262.25290	26.0
263.23590	1.3
264.26892	3.3
267.09036	1.6
280.26334	100.0
283.08609	1.5
285.10083	3.7
298.27368	5.5
330.12790	1.6
368.22937	2.2
386.24139	1.5
412.30505	1.8
424.30481	2.0
442.31778	7.8
460.26971	5.5
460.32697	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98758	3.7
53.03944	8.4
55.01868	5.4
55.05514	49.7
57.03427	10.3
65.03951	5.3
67.05505	100.0
69.07069	32.7
70.63431	12.0
71.04979	10.0
79.05495	79.5
81.03418	14.3
81.07057	78.6
83.04980	9.1
83.08627	25.9
85.06530	6.8
91.05482	90.7
93.07039	72.6
93.07585	6.3
95.04964	19.7
95.08614	50.5
95.31317	3.5
97.06553	12.5
97.07993	3.4
97.10158	9.4
103.05467	5.2
105.07030	74.6
107.04968	14.5
107.08604	41.2
109.06528	15.6
109.10184	21.4
111.08102	6.6
115.05479	8.4
116.06216	4.0
117.07021	63.2
119.05005	4.6
119.08591	49.1
121.06528	13.3
121.10128	23.0
123.08077	8.4
123.11713	5.2
125.09640	7.6
125.77964	4.7
128.06226	12.9
129.07002	61.4
131.08572	81.0
133.06499	8.7
133.10115	25.7
135.08051	9.4
135.11681	15.6
137.09659	5.0
141.06987	25.3
142.07808	7.4
143.08554	55.2
145.06535	14.9
145.10138	33.5
147.04454	3.9
147.08047	11.3
147.11668	14.9
149.09593	8.6
149.13242	5.3
151.11197	4.9
155.08546	35.5
157.06493	7.6
157.10129	28.6
159.08067	14.5
159.11670	18.7
161.09645	8.4
161.13216	7.1
163.11201	5.8
165.06938	6.5
166.07832	3.9
167.08565	17.6
168.09277	4.7
169.10161	25.0
171.08153	7.1
171.11719	16.1
172.62837	4.0
173.09647	7.1
173.13243	6.1
175.11230	4.7
177.12813	4.8
179.08563	6.7
181.10161	11.2
183.11652	19.3
185.09644	5.9
185.13312	13.2
187.11227	5.2
187.14804	5.6
193.10139	7.7
195.11703	16.7
197.09625	5.4
197.13261	15.9
199.14909	6.0
207.11682	7.8
209.13271	12.8
211.11046	4.4
211.14807	8.4
213.16382	5.0
215.14421	12.9
221.13327	10.9
223.14786	13.8
225.12822	4.5
235.14937	8.0
239.14384	8.5
245.15398	7.1
253.15868	5.9
257.15417	6.5
271.16925	8.0
289.18207	4.3
300.06168	3.9
323.23654	12.2
333.22162	19.7
341.24741	15.9
351.23148	59.8
369.24194	51.4
387.25430	20.7
415.27951	4.3
425.26862	6.1
432.67899	4.1
443.27930	69.8
455.05817	4.1
461.29083	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	462.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.0
52.08925	0.9
53.03930	2.0
55.01234	0.9
55.01855	1.6
56.05022	1.3
57.03173	1.2
57.03436	17.9
60.04525	14.3
61.02934	6.7
62.45570	0.8
65.03921	1.5
67.05480	1.3
69.03429	13.9
69.14474	0.9
70.06592	5.5
70.80945	2.8
71.01343	2.5
71.04982	3.7
72.08146	1.6
72.93771	0.9
73.02916	41.4
79.05482	6.4
81.03397	4.0
81.07049	2.1
83.04991	1.3
84.04491	1.1
84.08126	3.0
85.02903	27.7
86.09692	3.9
87.04459	2.1
91.03931	1.0
91.05483	36.7
93.07056	1.2
94.06569	2.9
95.04973	5.6
97.02890	19.8
97.45562	1.0
99.04474	1.0
100.07588	1.9
103.05442	1.6
105.07034	10.4
106.06548	3.6
107.04955	54.8
107.07361	1.4
107.25795	1.1
108.08063	1.8
109.02878	3.0
109.06487	5.7
111.04462	2.3
115.03929	16.8
115.05409	1.8
117.05752	5.6
117.06994	1.1
119.04985	1.2
120.08101	32.9
121.06497	2.8
122.09688	3.5
124.07577	2.0
127.03899	6.5
129.05487	1.1
130.06517	3.2
132.08092	66.6
133.04948	3.8
133.06474	17.1
134.09679	1.3
137.05962	1.4
140.07034	1.0
145.04971	6.0
146.06058	1.9
147.06479	1.3
150.09138	100.0
154.08568	1.5
157.07610	8.3
165.05460	1.6
166.08659	1.0
168.10197	10.5
206.10291	1.4
238.11845	1.0
254.12920	3.3
282.12402	11.7
283.15408	1.1
283.31699	1.2
294.13293	1.0
307.91620	0.9
312.14407	17.5
330.15500	4.1
361.55103	1.0
444.18396	1.8
462.19571	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	463.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
53.53941	1.5
55.01868	7.3
55.05276	1.7
55.05512	18.0
56.96552	3.3
57.03426	8.5
57.07074	1.7
57.75130	1.5
60.42659	1.4
65.03937	3.4
67.05509	63.6
69.03412	7.2
69.07075	19.2
69.10915	1.5
70.20548	2.8
70.20918	5.7
71.05009	7.3
71.60749	1.3
73.06544	1.6
79.05492	34.2
81.03422	100.0
81.07059	63.1
83.04989	12.9
83.05450	2.6
83.08624	19.5
85.02895	3.2
85.06536	7.0
85.80697	1.9
91.05483	61.1
93.06502	3.1
93.07047	34.8
95.04379	3.1
95.04966	33.1
95.08604	19.3
97.02885	6.4
97.06558	10.5
97.10173	3.2
98.97689	1.5
99.04430	4.7
99.08099	2.0
105.06325	3.0
105.07034	56.3
107.04946	10.9
107.08595	44.0
109.02868	1.5
109.06525	9.7
109.10159	76.1
111.04441	2.7
111.08076	9.0
112.72046	1.4
113.05999	4.3
115.05484	1.8
117.06981	4.0
119.08579	16.7
121.06504	4.5
121.10160	10.9
123.04434	3.2
123.08000	3.5
123.11721	13.6
125.09618	4.3
127.07545	5.6
128.06252	2.8
129.07010	10.6
131.08562	12.4
133.06540	3.0
133.10130	81.4
135.08078	1.9
135.11694	6.8
137.05962	1.9
137.09613	3.6
142.07768	2.6
143.08575	2.1
145.10143	6.1
147.04359	1.8
147.08055	4.0
147.11682	9.4
149.09630	6.8
149.13188	1.7
151.11182	48.5
155.08534	1.6
157.10170	9.5
159.11661	2.4
161.09634	2.8
163.11168	4.1
165.12808	1.8
169.10017	2.0
169.12251	12.2
171.11588	1.5
173.11742	2.7
175.11198	8.5
179.10703	4.2
193.12242	42.4
211.88689	1.6
215.12778	5.2
219.13857	2.0
227.12834	7.4
229.14375	3.7
249.14859	3.1
253.11720	2.8
253.14366	54.2
343.22513	2.1
347.15378	2.5
365.16232	4.9
371.22116	5.6
376.87836	1.9
383.17313	2.9
427.28973	2.1
445.25854	10.9
463.20541	3.4
463.26843	73.3
484.73743	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	463.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.4
55.01873	5.8
55.05513	25.4
56.96563	3.2
57.03429	9.9
57.07066	3.8
63.98468	2.0
64.08501	2.3
65.03932	4.3
67.05143	4.7
67.05504	96.8
68.33714	2.1
69.03432	5.1
69.07072	24.4
70.22631	2.3
71.04986	9.3
71.49902	2.8
71.50256	2.2
73.02908	3.2
79.05492	58.9
81.02938	4.0
81.03417	76.4
81.07056	100.0
83.04980	15.5
83.08160	2.8
83.08621	26.4
85.02905	5.0
85.06524	7.0
90.47355	2.1
91.05481	68.3
93.07034	58.7
93.07583	4.3
95.04963	28.4
95.08612	23.4
97.02885	4.0
97.06524	14.3
97.10152	6.0
99.04465	3.1
99.08059	3.6
105.07032	47.9
107.04921	10.8
107.07894	4.1
107.08588	48.3
109.06494	13.3
109.10155	61.7
111.08067	9.7
113.05984	3.5
115.05482	3.1
117.07001	11.0
119.06074	2.7
119.08603	14.6
121.06487	5.8
121.10142	15.6
123.04424	2.9
123.11704	9.0
125.09633	2.3
127.07573	4.2
128.06210	3.1
129.06981	8.6
131.08563	17.1
133.06470	3.3
133.10126	71.0
135.08041	3.2
135.11684	11.5
137.09639	3.4
137.44521	2.1
142.07782	3.9
143.08525	3.4
145.10104	4.1
147.08096	3.7
147.11696	6.5
149.09618	5.9
149.13240	22.6
151.11179	36.2
157.10133	8.3
159.11662	9.6
161.09627	3.5
163.11154	4.2
169.10028	2.3
169.12231	7.8
173.11766	2.1
175.11180	5.8
177.12711	6.0
193.12228	36.1
195.13774	12.0
203.05908	2.7
215.12799	5.4
227.12639	3.5
239.17822	2.3
249.14793	2.9
253.14343	38.8
281.47308	2.4
371.21875	5.2
376.48300	2.5
384.72748	2.4
431.10580	3.1
445.25827	8.8
463.26550	28.2
463.31030	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	463.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01861	3.9
55.05515	19.1
57.03420	6.0
57.90359	1.9
65.03943	4.2
67.05508	54.3
67.80350	2.1
69.03410	2.4
69.07073	20.3
70.85457	6.2
71.04984	2.8
79.05498	38.4
81.03416	5.9
81.07056	43.6
82.70563	2.3
83.04974	5.0
83.08630	8.4
85.02856	2.7
85.12030	2.1
90.71942	2.4
91.05480	48.8
91.53581	2.3
93.07045	42.6
93.07584	3.8
94.79725	2.3
95.04970	6.9
95.08610	29.8
97.06531	8.1
97.10163	4.6
102.29822	2.2
103.05464	2.6
105.07035	45.3
106.25813	2.1
107.04968	25.1
107.08591	20.0
109.06515	5.2
109.10168	19.0
117.07012	20.9
119.08585	27.0
121.06528	8.7
121.10148	18.3
123.08097	3.5
123.11708	3.2
128.06314	3.6
129.06984	12.8
131.08572	39.2
133.06555	3.4
133.10127	19.8
133.25290	2.2
135.08051	11.2
135.11723	7.1
137.09619	6.0
141.06985	5.9
143.08537	18.0
145.10126	19.5
147.08072	5.7
147.11713	6.8
149.09644	8.4
149.13309	2.9
155.08611	7.9
157.10124	12.0
159.08047	2.6
159.11699	9.7
159.59753	2.4
161.09552	2.7
161.13139	2.2
163.11147	2.9
167.08638	3.1
169.10176	5.7
171.11731	5.9
173.11748	4.3
173.13235	2.9
175.11179	4.0
177.12822	2.2
181.10120	4.9
183.11726	5.6
185.13313	8.0
187.14751	3.4
189.12857	2.2
195.11769	4.3
197.13254	2.5
199.14851	3.6
209.13307	3.0
211.14902	5.7
225.16365	2.2
233.15384	2.7
237.16492	2.4
245.18919	2.7
261.18478	2.2
264.96960	2.2
273.18530	7.3
291.19574	18.9
325.25165	4.9
335.23764	7.4
343.26419	10.0
343.30185	2.1
353.24710	25.7
366.94437	2.2
371.25705	29.5
389.26880	35.8
427.28140	4.9
445.29498	45.0
463.30414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.7
57.07067	0.7
67.05499	1.0
69.07065	0.6
69.49084	1.8
69.49508	3.6
79.05491	1.1
81.07060	2.3
91.05492	0.9
93.07059	1.3
98.20839	1.4
98.43115	0.7
107.08622	1.2
109.10127	0.8
207.71927	0.7
269.65341	0.7
392.38968	0.7
445.29251	85.0
446.29471	1.4
463.30304	100.0
464.30838	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	464.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01872	7.9
56.05043	6.5
57.03429	10.6
58.06595	16.4
59.21882	5.2
60.04523	6.5
61.02930	6.5
67.05497	10.6
69.03439	24.7
69.52194	9.2
69.52602	34.0
70.06580	13.7
72.04528	5.8
72.14727	5.0
76.07641	26.3
79.05498	40.2
80.05853	6.1
81.03417	18.7
81.07047	13.4
82.06571	9.5
84.04501	20.8
85.02893	37.5
86.06077	5.6
86.09722	5.8
91.05484	29.5
93.07040	10.7
94.06564	6.3
95.04969	25.4
96.04480	6.2
97.02892	21.3
97.06523	8.7
99.04475	4.9
103.05476	6.9
105.07021	9.5
106.02990	6.2
106.06570	7.8
107.04960	60.9
107.08565	9.6
108.04516	7.0
108.05233	9.2
108.08122	11.8
109.02892	12.5
109.06545	7.8
110.06038	8.9
115.05444	6.9
118.06553	11.9
119.04925	13.3
120.04448	6.7
120.08104	12.6
121.02895	6.5
121.06516	13.0
122.06025	13.1
123.04416	13.6
123.11752	4.7
124.07575	8.0
126.05497	14.4
128.03427	17.8
129.01805	7.7
130.06554	4.9
131.04852	7.4
132.08109	12.6
133.06505	11.9
134.06006	7.6
135.04417	14.2
135.11641	5.5
136.03973	5.3
136.07585	18.8
137.05995	11.6
138.05527	12.4
138.09254	6.3
139.03915	16.6
142.04973	8.5
144.06648	7.0
146.06010	8.9
147.04411	22.0
148.07507	7.6
149.05904	10.0
150.09145	12.7
151.09995	5.2
152.07100	17.8
160.07613	16.0
162.09132	5.8
163.07700	6.0
164.07104	21.5
165.05495	17.2
166.08626	7.2
168.06583	5.5
175.03938	8.9
176.07097	7.2
177.05505	7.1
178.08632	14.6
179.07028	6.3
180.10129	7.7
181.04962	7.6
188.07091	15.2
193.04984	7.6
196.09685	17.9
197.94934	4.5
204.08717	6.8
206.08249	22.3
207.06648	7.8
211.06088	7.8
211.82425	5.1
214.10840	7.7
216.06468	5.9
217.08687	5.1
218.08189	4.6
220.09737	6.7
222.07645	7.1
224.09178	54.6
234.07631	13.3
238.10704	19.2
240.08720	8.6
242.10263	72.9
248.09206	9.9
249.09689	5.5
250.10762	5.8
252.08658	8.4
256.11862	29.5
266.10217	51.1
267.10593	12.0
268.11801	15.2
284.11301	100.0
284.14484	6.2
285.11984	6.4
302.12344	16.0
320.14594	5.3
351.24268	4.9
446.17606	5.3
464.17493	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	464.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54189	0.6
53.03925	1.5
55.01867	1.5
55.05491	0.9
56.05033	1.5
57.03428	2.4
61.02928	3.2
62.41463	0.6
63.76839	0.5
67.04243	1.1
67.05489	1.3
69.03436	10.0
69.79905	2.0
69.80334	1.8
70.06583	3.3
71.04966	1.7
72.08150	2.0
73.02911	1.6
75.46754	0.7
80.05001	1.2
81.03424	4.6
81.07052	1.1
82.06581	7.3
84.04478	0.7
84.08143	11.0
85.02906	19.9
86.09728	1.7
87.04455	2.0
91.03947	1.5
91.05480	1.6
95.04962	8.7
96.08146	1.0
97.02892	7.4
98.09688	1.2
98.21510	0.9
99.04476	1.9
100.07617	95.9
101.07948	0.8
109.02888	3.1
109.06542	1.2
110.06046	0.8
110.09689	13.4
112.07612	0.8
120.08100	11.0
121.06502	40.2
124.07584	0.8
127.03922	4.5
129.04482	2.7
129.10280	1.3
136.84941	0.6
138.09137	100.0
139.07530	0.8
139.09515	1.0
140.15744	0.6
142.08659	1.1
142.96310	0.7
145.04979	2.4
147.05530	23.2
156.10205	2.0
159.05554	8.0
177.06596	4.3
180.10217	0.9
187.05009	5.9
193.12192	0.7
203.08171	7.0
218.08224	1.7
226.10854	0.8
262.12860	31.5
264.12360	1.0
266.12964	0.8
284.13943	35.3
302.14969	17.5
402.12100	0.8
420.12711	1.0
464.20404	38.0
465.20349	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	464.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33293	0.5
53.03942	0.9
54.36959	0.5
55.01871	1.2
55.05505	0.7
56.22549	0.4
57.03433	0.9
61.02925	2.7
66.14704	0.5
67.04237	1.1
67.05486	0.6
69.03427	8.2
70.06586	0.5
70.95654	1.3
71.04987	1.2
72.04515	0.6
73.02905	0.7
80.05016	1.1
81.03416	3.5
82.06579	6.2
83.01342	0.5
84.08141	5.6
85.02903	15.9
87.04464	1.6
91.03943	0.9
91.05447	0.5
93.07061	0.7
95.04967	4.7
96.08138	0.8
97.02888	6.6
99.04438	1.1
100.07614	100.0
101.07930	1.2
105.21062	0.5
109.02879	1.6
109.06544	0.5
110.06020	0.6
110.09682	8.4
112.07549	0.5
117.67612	0.5
120.08101	69.8
121.06506	20.0
121.07396	0.7
121.08458	1.1
127.03885	3.2
129.04488	0.7
136.07542	0.5
138.09137	51.6
139.07558	1.4
139.09480	1.0
139.26695	0.6
142.08664	2.5
145.04967	1.6
147.05524	25.8
156.10211	1.1
159.05580	1.2
162.09184	0.5
177.06648	0.6
180.10280	1.1
187.05051	1.7
197.49858	0.5
203.08156	18.4
226.10626	0.5
239.72321	0.5
244.11864	1.0
250.23808	0.4
262.12836	14.3
284.10822	0.7
284.13907	11.5
302.14981	46.7
303.15607	1.3
318.15414	0.5
428.18216	0.8
446.19211	0.6
464.20313	24.0
465.20673	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	464.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05508	0.8
56.05027	0.7
56.96554	0.5
57.03422	1.1
58.57030	0.3
59.95974	0.3
61.02914	1.2
67.05506	0.9
68.05002	0.4
68.17784	0.3
69.03433	3.2
69.07077	0.4
70.06589	3.7
71.05001	2.1
72.08145	1.6
73.02905	0.6
74.06078	0.7
79.05516	0.6
81.03413	1.5
81.07065	0.6
82.02977	0.4
82.06586	0.7
84.08138	1.6
85.02905	7.6
86.09704	1.8
87.04465	0.6
89.20787	0.4
91.05473	0.7
91.95635	0.3
93.07036	1.2
95.04967	0.6
95.07358	0.4
95.08604	1.2
96.04492	1.6
96.08112	1.9
97.02905	2.9
97.05270	1.3
97.06534	1.1
98.06015	0.5
98.97585	1.6
99.04442	1.0
100.07613	1.5
103.05468	0.5
105.07044	0.7
109.02884	0.9
110.06042	4.7
110.09695	2.8
116.07086	2.3
116.98598	0.6
120.08097	2.3
121.06484	1.0
123.08039	0.5
126.09153	6.7
127.03920	2.1
129.05525	0.5
129.10197	0.9
131.04942	0.7
136.07664	0.5
138.09137	16.8
139.07535	1.3
140.10687	0.4
145.04987	0.7
147.04413	0.9
147.05421	0.4
152.10684	0.5
156.10199	100.0
157.10501	1.1
166.08694	0.5
168.10199	1.3
180.10196	0.9
198.11214	0.9
219.01823	0.4
222.11162	0.7
237.02739	0.4
294.10413	0.8
303.05093	1.0
303.13467	0.4
318.15466	32.6
319.15826	0.9
344.05106	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	464.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70463	3.9
53.03945	8.1
55.01871	4.8
55.02324	4.4
55.05497	13.0
56.96567	8.3
57.03433	5.6
61.02916	3.7
67.05509	37.6
69.03426	11.7
69.07048	16.5
70.49223	9.4
70.49554	4.2
77.41049	3.7
79.05494	29.8
80.05823	5.6
81.03417	100.0
81.07046	21.9
83.04969	12.1
83.08605	31.5
85.02893	12.8
85.06496	5.4
87.87780	3.5
90.06757	3.2
91.05477	23.9
93.07023	16.6
95.04958	39.1
95.08614	8.3
97.02874	7.7
97.06521	15.6
98.97624	4.8
105.07050	24.3
107.04948	13.5
107.08588	11.0
109.06532	4.1
109.10149	16.1
111.08083	8.3
117.06947	6.3
119.08569	17.4
121.06494	5.1
121.10133	7.6
123.08042	5.5
129.07028	4.2
131.08554	10.5
133.06450	3.9
133.10095	14.0
134.10483	5.1
136.06172	20.9
137.09627	4.7
142.07733	3.8
147.08072	5.6
147.11667	9.4
149.09596	4.7
151.11096	6.8
157.10120	15.0
161.01099	3.9
165.05501	5.9
173.11653	5.5
175.11154	14.0
193.12234	77.8
224.55650	3.8
235.13290	4.8
239.06859	4.1
253.14243	4.1
267.15930	45.0
285.16977	39.1
293.21078	7.3
303.05045	4.2
309.16928	10.4
435.93536	4.5
446.26837	4.5
464.27643	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	464.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.0
55.01860	12.8
55.05502	24.3
56.96553	14.5
57.03424	9.4
60.91899	8.8
67.05255	5.3
67.05505	57.8
69.03416	18.9
69.07056	31.7
69.29385	43.8
69.29803	21.1
71.04989	8.0
73.02911	10.2
77.58725	7.0
79.05506	41.8
81.03416	100.0
81.07065	43.6
82.07397	9.1
83.04977	21.6
83.08599	28.7
85.02901	21.4
91.05463	29.3
93.07021	30.9
95.04973	35.4
95.08599	24.7
97.02869	10.9
97.06518	36.7
97.10136	11.2
105.07017	25.9
107.04931	22.7
107.08599	20.9
109.06503	12.0
109.10130	22.8
109.99216	7.7
111.04418	12.7
111.08102	13.4
117.06990	7.7
119.08588	33.2
121.02902	7.7
121.10124	17.2
128.06160	9.1
129.06967	10.5
131.08536	11.8
133.10124	12.6
135.11630	8.7
136.06187	15.6
137.09572	10.2
139.03880	7.1
144.04359	7.0
145.10086	9.9
147.11665	14.1
151.11226	8.9
152.05676	21.0
157.10112	22.9
161.05920	9.3
163.07530	9.3
165.05502	12.4
175.07616	9.3
175.11163	9.3
193.12222	92.4
193.59840	7.7
211.13301	8.1
220.13705	7.5
252.96419	7.0
259.09882	12.3
259.12686	7.5
267.15860	46.5
273.18442	6.9
285.16931	30.8
291.32089	6.9
303.05020	7.8
309.17017	14.3
361.63669	7.4
464.19604	6.9
464.27563	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	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03931	0.3
55.01883	0.3
57.03429	0.7
61.02928	5.7
65.03921	0.2
67.05506	0.2
68.99783	0.6
69.03437	1.5
73.02917	1.9
81.03423	1.4
83.01342	0.2
84.04501	0.5
84.08137	0.4
85.02908	6.2
85.15559	0.2
86.09702	0.5
91.03960	3.3
91.05487	0.2
93.03429	0.3
94.06561	0.2
95.04945	0.6
97.02888	3.0
99.04445	0.3
107.04910	0.4
109.02864	1.0
111.00831	1.0
112.04004	0.3
115.03943	0.3
120.05282	0.2
121.02852	1.3
122.98241	0.2
123.04443	0.4
127.03923	1.1
137.02345	4.1
137.03352	0.1
144.06624	0.2
145.02849	0.2
145.04950	0.9
145.06349	0.2
149.02327	0.8
153.01820	4.2
155.04854	0.3
161.06009	0.3
163.03947	1.0
163.18813	0.2
165.01831	2.0
173.06006	0.5
174.66997	0.2
183.02890	0.9
183.04337	0.4
187.03854	0.4
191.03436	0.3
195.02885	0.4
201.05481	2.1
205.04889	0.3
213.05440	0.3
219.03099	0.2
219.06664	0.3
229.04955	5.2
229.07121	0.4
239.03326	0.4
246.05244	0.2
247.05963	0.8
257.04425	2.7
267.10660	0.3
274.04755	1.0
275.05402	0.4
284.11285	0.4
285.03949	1.2
285.11719	1.0
303.04977	100.0
304.05331	1.0
315.04984	2.1
327.05109	0.2
341.06644	0.4
345.06033	1.7
355.08188	0.4
369.06076	1.3
381.05585	0.2
399.07202	0.3
429.07950	0.6
447.09073	0.4
465.10245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	2.6
66.91914	1.7
69.03426	8.0
69.56408	10.8
70.06607	3.1
81.03399	4.0
85.02898	13.9
88.46439	1.6
89.07153	2.4
90.13623	1.7
92.47002	1.5
97.02896	6.5
98.20815	2.4
107.04955	2.8
109.02871	2.4
110.06033	3.2
116.98641	3.8
126.05511	1.7
127.03937	4.2
134.99570	1.9
137.05997	3.1
145.05061	2.4
150.61484	1.8
163.03848	2.6
174.09160	4.3
177.00673	3.2
196.09914	8.6
197.10699	2.6
206.08389	21.7
209.10789	2.5
211.08702	1.8
211.12265	10.0
220.10048	5.0
221.10747	10.5
223.08659	6.8
224.09404	9.9
226.08644	3.9
227.08199	6.0
232.37125	1.7
237.10236	4.8
238.10989	6.8
239.11763	25.4
241.09789	3.6
252.08810	3.0
254.07996	2.6
257.12851	4.5
267.11276	70.2
272.09009	8.2
272.11606	5.7
285.12338	69.9
303.13373	100.0
304.11673	16.4
441.52048	2.1
465.14575	3.1
465.19617	6.2
466.17197	28.7
485.35095	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	465.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32890	2.4
53.03942	4.5
55.01874	4.5
55.05516	20.8
57.03439	13.5
61.02911	4.3
63.29640	2.1
67.05509	22.5
69.03442	17.7
69.07071	8.2
69.67618	4.7
69.68011	14.6
70.06588	3.8
71.04992	4.9
79.05482	23.0
81.03423	88.8
81.07059	27.0
83.04990	23.9
83.08620	24.1
84.08154	2.2
85.02915	27.7
85.06525	4.1
85.96368	2.7
86.09715	7.4
91.05485	29.9
93.07046	18.7
95.04968	28.0
95.08614	8.8
97.02893	8.2
97.06535	4.9
97.10181	2.3
98.20879	5.8
99.04436	2.6
100.86919	2.3
101.77479	2.9
105.07037	27.2
107.04963	10.4
107.08621	11.4
109.02816	2.8
109.06517	7.5
111.08079	10.0
119.08586	21.4
121.10133	11.3
123.08015	3.6
125.44037	2.8
127.03925	3.0
129.06993	9.4
131.08560	12.7
133.06540	2.6
133.10126	15.3
137.06047	3.3
137.09653	5.0
142.07814	3.8
147.11726	14.4
147.80093	2.5
149.09631	7.5
157.10117	15.5
175.11189	17.3
183.60107	2.8
184.07314	5.8
193.12251	84.1
209.15469	3.6
211.13315	77.2
214.60873	3.2
239.11845	6.9
242.10635	2.8
257.12885	7.3
267.11429	4.3
267.15930	28.9
277.92181	2.5
285.12320	39.1
285.16974	100.0
286.17239	7.5
303.05087	3.5
303.13416	28.4
426.42273	2.8
465.18790	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	465.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05980	2.0
53.03944	3.0
54.20622	2.5
55.01874	3.4
55.05518	14.8
57.03430	9.7
60.04512	2.8
61.02922	2.5
65.03966	2.6
67.05502	17.6
69.03426	8.2
69.07058	6.0
69.21024	25.4
70.06586	14.3
71.04981	2.9
73.02918	2.6
79.05497	12.1
81.03425	40.9
81.07066	21.5
83.04999	11.2
83.08606	11.9
84.04488	3.7
84.08150	4.1
85.02913	20.4
86.09698	13.1
91.03912	2.3
91.05470	20.8
93.07046	15.5
95.04971	21.0
95.08609	5.2
97.02911	7.6
97.06534	5.4
97.10108	2.1
105.07034	17.3
107.04963	7.8
107.08588	5.4
109.06518	7.0
109.10158	3.6
111.04465	3.4
111.08075	9.1
117.06987	3.0
119.08588	11.3
120.08102	14.2
121.06517	4.2
121.10138	6.1
127.03929	2.6
129.06985	7.8
131.08559	7.1
133.06445	2.9
133.10106	5.9
135.11612	2.4
137.08556	2.4
137.09607	2.8
147.07990	2.8
147.11707	11.6
149.09570	6.4
157.10175	13.0
161.22940	2.5
165.05524	3.3
165.12814	3.1
175.11200	10.5
184.07449	3.7
193.12244	33.5
207.11331	2.4
211.13258	35.3
267.11432	4.3
267.15909	10.3
285.12296	5.0
285.16962	100.0
303.04898	4.3
306.16623	2.5
317.55359	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	465.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88029	1.1
52.44188	1.2
53.03930	2.0
55.01870	9.7
55.05245	1.6
55.05509	27.9
55.19522	1.1
56.10218	1.2
56.99635	1.3
57.03431	9.3
57.07075	14.2
59.05918	1.1
67.05197	1.7
67.05502	20.3
69.07069	28.5
71.08631	9.5
71.50240	1.2
73.02927	6.5
76.82227	1.1
79.05514	6.3
81.03398	1.7
81.07056	14.6
83.04996	1.5
83.08161	1.8
83.08619	22.2
85.02888	1.3
85.10156	3.8
90.36078	1.3
91.05413	2.7
93.07040	8.0
94.18523	1.4
95.08609	14.3
97.06518	3.4
97.09639	1.5
97.10180	16.0
98.98467	47.9
99.04451	1.7
105.06978	2.2
107.08585	3.9
109.10153	11.7
110.03635	3.0
111.08091	2.1
111.11702	3.9
116.99496	3.6
119.08536	1.9
120.41609	1.3
121.10135	7.9
123.11696	4.1
125.09617	2.2
129.05463	3.8
130.82191	1.6
133.10172	1.3
135.11659	2.8
135.13519	1.2
137.00014	2.4
137.09607	1.5
137.13225	2.5
140.01085	1.5
149.13255	2.6
155.01045	42.1
173.11720	2.6
191.00131	3.5
219.21049	3.0
229.04707	2.2
237.22124	10.7
239.23669	3.0
244.75330	1.2
277.21716	1.9
311.25800	100.0
312.26193	2.7
342.23526	1.3
362.35480	1.3
407.26749	1.5
447.25034	12.5
465.29178	1.5
465.35440	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	466.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.5
57.03439	0.5
61.01704	0.4
61.02897	0.7
65.17961	0.4
69.03430	2.3
71.40410	0.7
73.02922	0.4
79.05479	1.1
80.04989	1.0
81.03422	1.2
85.02908	3.5
87.04460	1.1
91.05483	0.8
97.02891	1.9
101.28284	0.5
107.04945	1.6
108.04474	2.5
109.02875	0.7
109.05259	4.2
110.06048	9.1
116.98615	0.5
126.05508	5.5
127.03962	1.0
133.05215	1.2
134.05986	0.8
135.04404	3.5
136.07533	0.7
136.83752	0.5
137.05963	0.7
145.02893	1.2
146.05971	2.7
147.04399	1.0
152.49403	0.5
163.03888	3.5
165.05595	0.4
172.07614	0.7
174.09143	14.3
177.05438	2.8
177.07913	0.5
183.06779	1.5
184.07617	1.7
188.10776	0.7
196.07585	0.6
198.09148	4.2
200.07062	1.0
202.08638	4.7
216.10231	1.5
222.11031	0.5
226.08640	9.4
226.10786	0.6
228.10310	1.3
236.07039	0.7
237.02705	0.6
240.12164	0.8
244.09738	3.6
254.08136	6.8
258.11105	0.8
267.11328	1.0
268.11685	2.0
272.09186	22.7
273.12024	0.5
276.12375	3.5
285.12424	1.0
286.10315	1.0
286.12799	1.9
303.13394	1.6
304.11700	48.1
305.12173	0.7
402.75546	0.5
466.17117	100.0
467.17499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01879	4.0
55.05492	2.6
56.96544	0.8
57.03442	7.4
57.07061	3.2
61.02928	5.6
67.05512	8.6
69.03432	12.6
69.07076	9.0
69.95786	4.0
70.06590	1.0
70.79559	0.8
71.01352	1.6
71.04985	1.8
73.02519	1.3
73.02920	23.9
75.82096	0.7
78.59894	0.7
79.05495	12.0
81.03411	2.4
81.07058	100.0
83.04974	1.7
83.08617	2.4
84.08089	1.0
85.02906	28.1
87.04456	2.0
91.03962	1.5
91.05487	2.2
93.07037	4.0
95.04965	2.1
95.08613	22.1
97.02892	19.5
97.06544	9.7
99.04443	1.7
100.07642	0.9
100.11253	2.6
103.03953	1.3
103.05440	1.0
105.07037	3.1
107.04950	2.6
107.08572	2.3
109.02870	1.7
109.06503	1.4
109.10161	2.9
110.07200	0.9
111.04396	1.3
111.11681	1.5
115.03946	9.2
116.97087	0.9
119.08587	2.5
121.06531	0.9
121.10152	0.9
122.10520	0.8
123.04459	1.0
123.11698	1.4
127.03931	10.4
131.08563	1.9
133.04967	15.0
133.10150	1.2
135.04451	1.0
135.11661	1.3
137.05922	0.9
137.13257	24.5
139.03909	1.9
143.08459	0.8
145.04959	13.6
145.10057	0.9
150.07614	1.8
153.05464	2.4
153.12805	1.1
157.10138	0.9
159.11687	1.8
163.03969	2.0
163.06013	6.4
165.05536	0.9
173.13246	1.1
182.15446	1.6
195.06522	0.9
210.14912	1.0
217.07202	1.0
223.05840	1.8
233.15355	1.1
241.07080	2.4
249.11250	2.0
259.08136	3.2
269.17352	1.9
295.10229	1.7
303.72964	1.2
305.12469	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	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01879	4.0
55.05492	2.6
56.96544	0.8
57.03442	7.4
57.07061	3.2
61.02928	5.6
67.05512	8.6
69.03432	12.6
69.07076	9.0
69.95786	4.0
70.06590	1.0
70.79559	0.8
71.01352	1.6
71.04985	1.8
73.02519	1.3
73.02920	23.9
75.82096	0.7
78.59894	0.7
79.05495	12.0
81.03411	2.4
81.07058	100.0
83.04974	1.7
83.08617	2.4
84.08089	1.0
85.02906	28.1
87.04456	2.0
91.03962	1.5
91.05487	2.2
93.07037	4.0
95.04965	2.1
95.08613	22.1
97.02892	19.5
97.06544	9.7
99.04443	1.7
100.07642	0.9
100.11253	2.6
103.03953	1.3
103.05440	1.0
105.07037	3.1
107.04950	2.6
107.08572	2.3
109.02870	1.7
109.06503	1.4
109.10161	2.9
110.07200	0.9
111.04396	1.3
111.11681	1.5
115.03946	9.2
116.97087	0.9
119.08587	2.5
121.06531	0.9
121.10152	0.9
122.10520	0.8
123.04459	1.0
123.11698	1.4
127.03931	10.4
131.08563	1.9
133.04967	15.0
133.10150	1.2
135.04451	1.0
135.11661	1.3
137.05922	0.9
137.13257	24.5
139.03909	1.9
143.08459	0.8
145.04959	13.6
145.10057	0.9
150.07614	1.8
153.05464	2.4
153.12805	1.1
157.10138	0.9
159.11687	1.8
163.03969	2.0
163.06013	6.4
165.05536	0.9
173.13246	1.1
182.15446	1.6
195.06522	0.9
210.14912	1.0
217.07202	1.0
223.05840	1.8
233.15355	1.1
241.07080	2.4
249.11250	2.0
259.08136	3.2
269.17352	1.9
295.10229	1.7
303.72964	1.2
305.12469	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	467.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87989	0.8
55.05508	9.6
55.91080	0.9
57.03439	10.5
57.07075	49.6
59.04983	1.2
65.03955	1.8
67.05505	53.3
69.07065	9.8
69.37569	6.6
69.37979	1.3
69.54013	0.9
71.04995	1.1
71.08632	35.3
71.29715	0.8
79.05500	2.6
81.07059	26.4
83.04922	0.8
83.08616	14.2
85.06538	2.3
85.10191	19.5
85.10684	1.3
86.09677	0.9
91.05507	3.2
93.07075	4.1
95.04969	0.9
95.08605	25.6
97.10158	6.4
97.64240	0.9
98.20806	1.7
98.98469	46.3
99.08064	1.1
104.10756	2.1
107.08649	2.2
109.10155	41.0
111.08098	1.8
111.11783	1.3
113.96439	1.0
116.99518	2.2
119.08624	3.8
123.11732	4.9
125.13277	1.3
137.00044	3.2
137.09628	1.7
137.13316	2.0
155.01047	53.5
155.10744	1.7
173.11723	11.2
211.03700	2.0
229.04803	1.9
239.23674	8.6
257.24896	1.6
313.27362	100.0
314.27960	1.0
362.36633	1.1
393.24176	2.5
449.26474	14.3
467.23987	1.9
467.37418	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	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07233	0.6
55.05513	13.5
56.96558	0.6
57.03434	3.4
57.07076	37.3
57.99139	0.5
59.05001	4.5
65.03949	2.9
67.05505	100.0
68.05817	1.0
69.03444	0.9
69.07068	9.3
70.46453	1.5
71.04986	3.3
71.08631	26.7
79.05490	2.7
81.07058	26.6
83.08618	15.7
85.02899	0.5
85.06538	3.3
85.10188	12.4
91.05486	6.2
93.07059	3.5
95.04958	1.1
95.08608	28.6
97.10175	5.2
98.98474	5.1
99.11740	1.4
105.70182	0.6
107.08598	2.4
109.10155	73.8
110.10513	1.3
111.08084	2.7
111.11696	1.1
119.08554	4.6
121.10159	0.7
123.11710	5.5
125.13277	1.0
133.10123	1.3
137.00055	0.6
137.09644	2.7
137.13249	1.3
145.10143	0.6
151.14803	0.8
153.05438	0.9
155.01024	5.6
155.10617	3.2
165.16360	0.8
173.11732	25.8
177.70601	0.5
187.40195	0.6
211.13396	0.5
239.23698	9.7
299.87720	0.6
313.27356	12.2
313.30807	1.0
314.27667	0.8
393.24109	0.7
449.26404	1.1
467.37323	85.1
468.37885	3.8
468.43784	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	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41949	0.7
55.05511	12.1
57.03452	1.8
57.07078	36.8
59.05005	3.6
65.03932	3.2
67.05505	100.0
68.05840	1.2
69.03436	0.8
69.07065	9.8
70.08585	2.0
70.09003	1.0
71.04997	2.7
71.08636	25.5
71.09024	1.4
79.05499	3.3
81.07054	27.3
83.08621	14.8
85.06537	1.9
85.10183	12.7
91.05479	6.8
93.07037	4.1
95.05012	1.0
95.08608	25.1
97.10168	5.2
99.08087	1.2
99.11741	0.9
105.07076	1.1
107.08604	2.4
109.10159	73.2
110.10482	0.9
111.08095	2.5
111.11752	1.8
119.08588	4.8
119.44984	0.6
123.11703	4.7
125.13317	1.0
132.05031	0.6
133.10127	0.9
137.09619	3.1
137.13271	1.8
139.14917	0.7
140.59261	0.6
155.10706	2.4
173.11739	24.0
173.13213	1.3
179.68355	0.7
187.07597	1.0
239.23729	7.8
288.59930	0.8
407.06497	0.7
467.37338	79.4
468.37973	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	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05515	13.5
57.03452	2.8
57.07077	42.7
58.73856	0.5
59.03025	0.5
59.05004	4.0
62.97844	0.6
65.03946	2.4
65.65416	0.6
67.05507	100.0
68.05853	1.2
69.07069	8.6
70.04243	2.6
71.04984	3.1
71.08635	27.9
74.11306	0.5
79.05485	3.2
79.95547	0.6
81.07058	28.1
83.08624	16.2
85.06561	3.1
85.10180	14.8
85.90324	0.5
91.05476	6.2
93.07067	3.9
93.07553	0.7
95.08608	27.4
97.06566	0.7
97.10154	5.8
98.21416	0.8
98.98464	7.3
99.08083	0.6
99.11752	1.3
105.07016	0.6
107.08616	1.9
109.10160	74.1
110.10476	0.9
111.08090	2.1
111.11734	1.3
119.07866	0.7
119.08538	3.6
123.11696	4.2
133.08620	0.7
137.00055	0.7
137.09610	3.5
137.13266	2.0
139.23822	0.6
151.14822	1.0
155.01051	7.2
155.10638	2.7
173.11739	21.1
173.13206	1.2
221.22729	1.1
236.45549	0.5
239.23683	8.2
244.78323	0.6
313.27359	13.4
313.30777	1.0
314.27774	0.7
449.26282	1.2
467.37360	75.3
468.37772	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	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.1
57.03411	1.6
57.07074	35.2
59.05011	4.2
65.03931	2.3
67.05502	100.0
68.05836	1.0
68.77804	0.9
69.03403	1.4
69.07068	10.5
70.08267	2.7
70.79173	0.7
71.04986	2.2
71.08631	25.8
79.05495	3.9
81.03413	1.2
81.07057	26.6
81.07542	1.3
83.08619	13.3
85.02901	0.9
85.06532	2.7
85.10178	13.1
89.06039	0.8
91.05472	6.0
93.07036	2.9
95.04959	1.6
95.08607	26.5
95.51100	0.8
97.10181	4.8
98.10593	0.9
99.08087	1.1
99.11724	1.5
105.07045	1.7
107.08592	2.7
109.10152	78.8
110.55886	0.9
111.08091	3.2
113.13253	0.8
115.78791	1.2
119.08569	5.0
123.11689	4.7
124.90178	1.1
125.13203	0.9
137.09584	2.9
137.13228	1.6
139.30634	0.8
147.11664	1.0
155.10669	3.7
173.11731	23.0
173.13234	1.4
174.12019	1.0
175.14977	0.9
189.00803	0.8
221.22678	1.6
239.23692	8.5
253.85197	0.9
267.09064	1.5
278.10745	1.0
285.10168	1.8
313.27106	0.9
315.10941	2.9
317.65012	0.8
338.16992	1.4
340.12927	1.0
431.95264	0.9
443.23065	1.6
467.37323	87.4
468.37842	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	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
53.08882	0.8
53.89007	0.8
55.05508	11.5
57.03421	1.3
57.07074	37.3
59.04986	3.6
65.03935	1.4
67.05502	100.0
69.07059	8.1
70.46025	2.2
71.04979	2.3
71.08250	1.8
71.08629	28.2
79.05482	3.9
81.07053	25.1
83.08614	16.6
85.06540	2.6
85.10175	13.7
91.05476	5.5
93.07050	4.2
95.04980	0.9
95.08602	27.6
97.10165	4.3
107.08601	1.7
109.10151	75.9
110.10464	0.9
111.08089	3.6
111.11749	1.3
113.13274	1.0
119.08575	5.8
121.10135	1.0
123.11662	4.8
137.09583	3.7
137.13268	3.5
151.14772	0.9
155.10645	3.7
173.11720	23.0
190.19296	0.8
239.23677	9.1
272.29279	1.0
467.37326	93.6
468.37625	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	468.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.3
55.05509	1.5
57.03427	1.8
59.91699	0.7
60.93222	0.7
67.05493	2.8
67.77829	0.7
69.03410	1.7
69.07069	9.4
70.06600	0.7
70.62959	1.4
70.63300	1.4
71.04981	1.0
79.05498	7.3
81.07063	4.1
82.07381	1.4
83.04961	2.0
83.16578	0.8
85.02906	1.9
89.03890	2.0
91.05482	1.3
93.07027	1.1
95.04960	2.0
95.08577	1.5
97.02911	0.9
97.06528	70.3
98.06865	1.5
105.07036	1.1
107.04959	1.4
107.08602	1.6
109.10162	1.1
111.04466	1.1
117.03372	2.6
119.08623	1.2
121.10123	1.2
128.02150	0.9
133.10121	1.2
134.03519	1.2
135.04410	7.8
139.03885	0.9
145.02832	5.0
145.10060	0.8
147.04372	1.4
159.04408	2.9
161.01151	1.2
161.02342	8.6
163.03902	34.1
164.04221	1.2
173.02345	25.9
174.02676	1.5
180.04318	0.8
185.05954	0.9
215.07027	32.5
216.07422	1.7
231.21329	0.8
259.09656	100.0
260.09958	2.1
276.09595	0.9
277.10797	8.0
294.11163	0.9
306.13327	1.1
324.05972	0.8
450.15921	1.2
468.00458	0.8
468.17819	2.5
469.20358	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	468.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
54.85452	2.2
55.01878	4.1
55.05261	2.4
55.05502	10.7
56.96554	8.9
57.03429	3.5
57.07068	2.7
65.03922	2.7
67.05499	16.2
69.03429	6.6
69.07068	23.2
70.06576	2.8
71.04984	2.7
71.49754	4.9
73.02888	3.0
76.59184	2.7
79.05488	14.7
81.03403	3.7
81.07032	10.2
83.04969	8.1
83.08618	6.1
84.99850	2.7
85.02906	11.9
86.09682	3.4
89.03893	4.5
91.05474	6.0
93.07048	7.0
95.04957	7.7
95.08600	4.7
97.02916	6.1
97.06525	48.7
97.10172	3.9
98.06818	5.9
105.07005	6.8
107.04916	4.3
107.08595	5.8
109.06499	3.4
117.03374	10.2
119.08602	3.6
127.03924	3.5
134.03586	2.9
135.04419	25.3
137.06032	3.0
139.03877	2.8
145.02824	15.8
153.05499	4.6
154.05736	3.1
160.31599	2.4
161.01202	2.9
163.03905	100.0
173.02371	3.0
177.00737	3.1
184.05084	3.2
195.08080	3.5
213.09019	3.9
215.07051	2.8
217.05008	2.9
241.08572	66.3
259.09659	84.2
260.10242	3.1
306.13382	6.4
312.90558	2.6
337.12991	2.9
365.50705	2.8
372.12796	2.9
468.18829	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	468.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01872	0.8
56.96550	0.8
57.03434	1.6
59.04973	0.4
61.02926	2.6
67.05503	0.4
69.03431	9.5
70.06575	0.5
71.01345	0.8
71.04988	1.2
71.49066	0.6
73.02932	1.9
77.73840	0.3
79.05489	0.3
81.03416	2.0
85.02905	10.1
86.09698	0.5
87.04479	1.9
91.03945	0.5
97.02896	5.7
98.97579	1.0
99.04470	1.0
101.02397	0.6
102.57826	0.3
103.03933	0.6
107.04986	0.4
108.21524	0.3
109.02884	1.3
112.07632	0.3
116.98614	1.3
118.06521	0.7
119.04978	0.5
122.06013	0.4
127.03899	2.2
127.82229	0.3
130.06522	1.0
132.10162	0.4
133.08873	0.5
136.07614	0.8
137.05995	2.4
139.03929	0.5
144.08218	0.4
145.05049	0.7
146.99725	0.4
147.04424	1.4
147.93803	0.4
148.06116	0.3
148.07559	0.9
149.06099	0.4
149.08369	1.1
149.32950	0.3
150.09134	1.1
157.08923	0.3
158.09682	0.9
160.07620	0.3
163.03860	0.5
167.07155	1.3
168.08086	5.9
170.09709	0.4
174.09116	0.4
176.10635	0.7
177.00758	0.7
179.07059	1.0
180.84488	0.3
182.09599	1.0
184.07635	0.7
185.08347	0.9
186.09149	14.9
186.10823	0.8
187.09491	0.4
188.10732	0.5
200.10709	2.6
202.08655	1.3
204.10208	2.7
206.08061	0.5
210.09163	0.9
212.07054	9.3
219.01598	0.6
228.10223	3.2
230.08147	0.8
230.55424	0.4
237.02805	0.7
238.08606	1.7
241.10733	0.8
244.09665	4.1
246.11154	0.5
256.09689	10.8
271.11841	0.4
274.10794	2.1
282.10092	0.4
288.12454	1.0
306.13336	14.4
307.13370	0.4
366.74240	0.3
468.18671	100.0
469.12799	0.4
469.18994	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	468.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
56.05028	0.5
57.03417	0.3
58.06365	0.3
58.06628	0.6
60.08162	6.2
65.59679	0.2
67.05508	0.5
69.03430	0.4
69.21262	1.4
69.21687	0.8
70.06591	0.6
71.07372	2.7
73.96988	0.2
79.05479	0.6
81.03428	0.5
81.07056	0.4
85.02909	0.9
86.09703	30.9
91.05470	0.8
93.07008	0.2
93.20723	0.2
95.04959	0.4
95.07263	0.2
97.02895	0.4
97.06515	0.5
98.98463	2.7
104.10744	3.5
105.07047	0.5
107.04972	0.5
111.08105	0.3
120.08158	0.3
121.10167	0.2
124.99999	22.0
139.03889	0.3
143.01010	0.4
163.03990	0.3
164.06972	0.3
177.05472	0.4
184.07335	100.0
185.07639	0.9
203.05228	0.3
215.06990	0.5
224.06967	0.2
231.04715	0.3
236.09152	0.8
258.11182	0.2
259.09610	0.5
260.08987	0.3
270.13263	0.3
288.08484	0.5
288.14294	0.4
288.95474	0.2
306.13193	1.5
307.13000	0.4
309.15314	0.4
311.10474	0.3
450.22754	1.3
468.13974	2.6
468.23886	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	468.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
56.05025	1.4
57.03433	1.1
58.06575	1.8
60.08165	16.1
67.05496	1.6
68.50745	0.4
69.03410	0.6
69.07060	0.9
69.57320	0.9
69.57737	1.7
70.06595	1.6
71.05007	0.6
71.07372	5.1
72.08141	0.9
79.05506	2.1
81.03416	1.5
81.07050	1.7
83.04973	1.0
83.08633	0.6
84.08138	1.2
85.02904	3.0
86.09707	50.8
87.10046	0.7
91.05476	1.9
93.07057	0.9
95.04958	1.2
95.08612	0.6
97.02876	0.6
97.06537	1.8
98.09685	0.4
98.98473	3.4
104.10744	100.0
105.07041	1.1
105.11086	0.7
107.08616	0.4
111.04430	0.5
112.07604	0.6
113.05998	0.5
113.34966	0.4
119.08569	0.9
120.08139	0.4
121.10198	0.4
125.00001	26.3
131.08534	0.7
133.10107	0.4
140.07050	0.5
141.06963	0.6
144.94635	0.4
147.11720	0.4
157.10114	0.4
163.01553	0.4
163.06322	0.4
164.07080	1.1
169.06528	0.7
184.07341	85.0
185.07742	0.7
187.07500	0.5
193.12292	0.5
197.06003	0.8
200.04745	0.6
208.09799	0.5
215.07001	2.4
236.09198	3.6
252.09451	0.5
258.11075	0.6
259.09641	3.9
285.17026	0.5
306.13431	4.2
307.14673	0.5
335.30923	0.4
450.22510	7.0
468.23688	31.7
469.17123	0.6
469.23965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75935	3.5
55.05502	12.7
56.96567	34.0
57.03429	10.3
57.07075	43.2
61.02920	28.3
61.99647	3.9
62.33376	3.9
67.05184	6.1
67.05505	54.0
68.05826	10.9
68.71483	3.7
69.03430	18.3
69.07054	11.6
69.19173	18.3
69.19604	24.0
71.04980	5.1
71.08617	25.0
73.02910	15.2
76.77501	3.7
79.05458	8.9
81.03410	34.4
81.07059	30.0
82.07381	3.7
83.04948	4.1
83.08604	17.4
85.02913	25.3
85.10167	17.6
89.06026	40.0
91.03961	18.4
91.05453	10.9
93.07023	4.5
95.04955	10.2
95.08600	25.9
96.08919	5.3
97.02894	29.0
97.06480	4.0
97.10154	7.7
98.21573	9.0
98.97586	22.6
103.03940	4.6
105.07039	10.0
109.10149	38.2
110.10480	13.5
110.97512	5.9
116.98568	19.2
119.08594	4.6
121.10135	6.9
123.11712	5.5
127.03895	8.1
128.98579	11.1
131.00165	5.1
133.08618	11.5
134.99649	7.7
137.09599	4.5
143.00215	3.6
145.04930	4.5
146.99661	12.6
149.01257	7.2
152.05913	4.5
152.80875	3.7
158.99608	8.3
161.01254	12.7
165.09091	7.4
170.99652	9.4
173.01251	4.1
173.11748	9.1
173.17763	3.3
177.00682	16.4
177.11255	4.9
183.06468	3.8
185.04892	6.2
189.00668	15.7
191.02209	5.7
193.12268	7.9
202.54753	4.7
203.05949	10.9
219.01706	8.7
239.23790	10.0
243.08882	8.4
249.08075	8.6
259.10138	14.8
267.09027	62.4
267.15802	8.3
268.09427	6.9
277.21609	5.7
280.77118	3.9
283.17426	18.3
285.10101	95.9
286.10516	7.4
287.09741	7.0
296.22772	5.0
299.11594	12.9
303.10947	4.8
308.11813	9.6
313.27338	25.8
315.10907	100.0
315.61032	25.6
317.12735	24.1
321.05069	5.2
324.11472	63.3
324.61710	9.4
331.12082	6.4
335.62335	7.5
338.16708	17.1
338.66830	7.1
340.13171	14.9
347.16946	10.4
358.68127	7.6
359.18265	5.1
362.20227	15.8
362.70670	4.3
443.23013	68.1
443.73340	21.9
468.37650	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.9
53.03933	6.4
55.01873	13.6
55.05505	17.5
57.03404	8.1
57.07060	6.0
60.36201	2.5
61.02908	7.8
65.03899	5.0
67.05505	27.8
68.99755	8.7
69.03431	34.3
69.07072	36.0
69.29317	23.8
71.04687	2.6
71.04987	27.6
79.05496	32.8
81.03423	25.9
81.06616	4.0
81.07053	60.5
83.04948	8.2
83.08588	9.5
85.02914	38.1
85.15192	2.3
87.00855	17.4
89.03889	3.2
91.05479	24.8
93.07033	37.9
95.04958	18.9
95.08610	52.5
97.02908	17.2
97.06529	86.9
97.10138	8.7
98.06850	7.7
98.20734	4.5
99.04430	9.7
99.08107	3.0
103.03905	2.7
103.05411	3.0
105.01804	9.1
105.06347	3.6
105.07030	47.1
107.04914	9.0
107.08595	37.9
109.02251	2.3
109.02881	19.8
109.06474	9.1
109.10158	44.2
111.04404	7.4
111.08051	4.0
115.03905	6.2
115.05430	4.3
117.03330	6.3
117.06959	11.7
119.07851	3.2
119.08579	45.5
119.29890	2.4
121.06449	8.4
121.10148	34.9
123.04399	9.5
123.07996	6.2
123.11703	23.2
125.05967	4.5
125.09594	7.0
127.03930	18.8
127.11189	19.8
128.06168	4.6
129.01808	9.8
129.06947	10.0
130.07753	2.7
131.08569	19.3
133.02776	5.7
133.06436	3.7
133.09280	3.3
133.10127	30.7
135.04356	11.7
135.08022	6.5
135.10907	2.4
135.11690	29.0
137.06038	3.0
137.09592	5.2
137.13203	7.2
141.06918	4.3
142.07742	9.2
143.08554	15.5
144.09283	3.9
145.02776	9.9
145.04863	4.3
145.06396	6.2
145.10121	30.1
147.02885	6.3
147.07982	6.1
147.11697	22.9
149.09563	6.4
149.13200	10.6
151.07515	3.4
151.11140	5.0
153.12723	4.4
155.08482	8.3
156.09331	4.8
157.10114	20.3
159.02884	5.6
159.04341	6.0
159.08002	8.4
159.11696	33.3
161.02303	21.6
161.05927	3.5
161.09543	8.1
161.13264	14.1
163.02617	4.4
163.03896	59.9
163.07487	6.3
163.11160	4.6
164.04181	6.0
165.09048	5.7
167.07034	2.9
167.08513	2.8
169.10069	9.8
171.07994	3.0
171.11668	15.2
173.02338	51.6
173.09547	5.4
173.13245	12.5
175.11169	5.4
175.14731	8.5
177.12700	7.4
181.08530	2.8
181.10091	6.0
183.07979	3.5
183.11600	9.9
185.05855	2.9
185.09555	4.8
185.13162	9.3
187.11043	5.5
187.14754	8.6
189.03885	3.6
189.09094	6.5
189.12680	4.6
189.16382	16.2
191.10631	2.9
191.14304	3.1
191.17940	3.2
193.15823	4.0
195.11508	4.0
197.13200	6.1
199.11047	4.3
199.14775	4.9
201.03911	4.4
201.12653	7.7
201.16414	15.2
203.17934	17.0
205.19472	3.3
207.11594	5.8
211.14810	2.8
213.16237	6.4
215.07016	59.9
215.17870	5.8
216.07338	8.0
219.17340	8.0
221.18883	6.5
225.12685	7.2
227.17841	7.3
229.12206	4.4
233.18951	3.3
241.15781	2.7
243.13727	4.1
243.17381	3.3
245.19060	13.2
251.18036	2.8
257.18896	5.6
259.09659	98.4
260.09943	21.9
263.19943	5.2
269.19043	4.5
277.10718	72.5
278.10962	4.7
285.09918	3.6
287.19925	4.9
293.18866	9.6
305.20773	2.6
311.20050	20.7
329.20969	10.0
415.20956	2.9
433.21808	10.4
451.23340	19.5
469.20102	100.0
469.31696	5.9
470.20123	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	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06072	1.8
51.58079	1.6
53.03931	7.8
55.01870	15.5
55.05508	21.5
56.96556	3.7
57.03423	8.9
57.07057	6.1
57.48927	1.7
61.02922	6.4
65.03936	2.9
67.05180	3.3
67.05505	29.0
68.99785	8.1
69.03429	36.0
69.07068	37.8
69.29366	19.9
71.01330	2.2
71.04998	22.3
73.02921	3.9
79.05081	3.2
79.05494	34.4
79.68291	2.4
81.03423	26.1
81.07058	73.0
83.04974	11.4
83.08611	9.7
85.02907	44.6
85.06522	3.2
87.00823	24.4
89.03906	3.7
91.05487	21.5
93.07042	39.5
95.04972	20.9
95.08609	55.3
97.02898	22.5
97.06536	80.7
97.10156	8.9
98.06852	6.5
99.04457	9.9
99.08105	4.0
103.03932	5.5
103.05447	2.5
105.01860	6.4
105.07037	46.4
107.04968	11.3
107.08591	44.5
109.02887	16.9
109.06536	12.4
109.10164	49.3
109.88783	2.2
111.04464	11.5
111.08057	4.3
111.11667	5.5
115.03911	8.2
117.03345	3.8
117.07027	10.4
119.08590	44.2
121.06501	10.4
121.10146	39.5
123.04435	8.4
123.08079	10.0
123.11714	28.4
125.09657	5.1
127.03905	16.9
127.11203	15.4
128.06186	4.4
129.01831	8.9
129.06978	7.5
131.08559	20.0
133.02895	2.2
133.06468	4.9
133.10136	29.2
135.04416	10.9
135.08078	6.5
135.11693	25.0
137.05974	4.7
137.09598	7.9
137.13223	9.4
139.07481	2.7
139.11177	3.4
141.05373	2.0
141.06981	5.3
141.09143	2.5
142.07800	5.1
143.08574	14.3
144.09309	2.3
145.02837	7.5
145.05066	2.4
145.10127	28.6
147.02873	4.1
147.04362	2.5
147.08012	7.3
147.11687	29.3
149.09622	6.8
149.13240	19.6
151.07526	3.6
151.11133	3.5
153.06825	2.3
153.09149	2.7
153.12724	9.3
155.08527	8.0
155.10709	2.2
156.09280	4.6
157.10150	19.0
159.02914	5.8
159.04398	6.2
159.08040	7.4
159.11682	33.4
161.02325	16.3
161.09557	5.3
161.13234	15.7
163.03905	59.0
163.07535	2.5
163.11224	4.7
163.14835	3.9
164.04231	5.4
165.09117	5.9
165.12764	3.2
167.08553	3.6
168.09311	3.3
169.10121	8.0
171.08046	3.5
171.11673	11.6
173.02348	44.4
173.09579	6.8
173.13246	12.7
175.11139	8.3
175.14816	7.9
177.12772	6.2
177.16376	5.6
179.14345	2.8
181.10149	5.5
182.10834	2.4
183.11713	7.8
185.06029	2.7
185.13217	4.7
187.11101	3.4
187.14832	7.3
189.03926	3.6
189.09053	4.3
189.12762	6.6
189.16403	9.8
191.10626	3.7
191.14326	4.9
191.17963	4.7
193.08574	3.1
193.15857	3.5
193.19501	4.7
195.11746	5.5
197.09688	3.0
197.13258	4.2
199.11189	3.8
199.14812	4.0
201.03938	6.5
201.12692	7.3
201.16328	10.8
203.17963	16.0
205.15918	2.5
205.19467	4.8
205.50958	2.3
207.11835	4.3
209.13264	2.5
211.14743	2.5
213.12729	3.5
213.16399	6.3
215.07033	56.4
215.17917	7.2
216.07367	8.8
217.15855	3.9
219.04961	3.1
219.17491	12.3
221.19026	11.2
223.14844	3.9
225.12709	5.7
225.16354	3.4
227.14291	2.8
227.17987	4.9
231.04906	3.3
231.17470	7.3
233.19031	7.8
239.14381	2.4
241.15862	4.2
243.13928	3.6
243.17656	4.5
245.19044	8.0
249.26482	2.4
257.18915	3.7
259.09656	100.0
260.10019	19.7
261.14899	2.5
261.18512	3.2
263.20148	4.2
265.19806	2.8
269.18961	4.2
275.20142	2.7
277.10712	51.5
278.10999	2.5
287.20090	5.8
293.18893	4.7
305.21066	3.0
311.20178	13.4
329.21045	10.9
347.21826	2.9
415.21027	5.1
433.22116	8.6
451.23334	15.3
469.24677	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	469.3315
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
53.03939	0.7
55.05511	4.2
56.96569	0.7
57.03430	0.6
57.07059	1.5
67.05505	3.6
69.03430	1.0
69.07057	2.3
70.24458	1.3
70.24821	1.1
71.04982	0.7
79.05499	3.4
80.44244	0.5
81.03403	1.4
81.07059	4.8
82.93681	0.5
83.04989	11.7
83.08615	1.6
85.06580	0.7
86.09736	0.8
91.05480	5.2
93.07038	5.7
93.61844	0.6
95.04980	1.7
95.08601	5.8
97.06538	1.3
97.10149	0.6
104.03996	0.7
104.10743	0.9
105.07031	6.4
107.04952	0.9
107.08591	11.6
109.06512	1.6
109.10155	4.1
111.08108	1.5
116.98656	0.5
117.06996	1.2
119.08591	6.3
121.06521	1.6
121.10149	12.0
123.08041	2.6
123.11720	3.4
125.09660	0.8
129.06978	0.9
131.08583	3.8
133.06487	0.6
133.10155	7.5
135.08031	1.4
135.11702	2.6
137.09662	1.0
137.13307	0.7
139.11183	1.1
141.07001	1.3
142.07816	1.1
143.08586	1.7
143.63193	0.5
145.10086	2.7
147.08057	2.6
147.11681	3.2
149.09631	1.3
151.11172	2.9
153.09103	1.0
155.08527	1.2
156.09335	2.0
157.10124	4.2
159.08095	2.7
159.11687	3.5
161.09625	1.2
161.13304	1.0
163.11197	1.4
165.12769	2.0
169.10092	2.8
170.10960	1.8
171.11711	6.6
173.09569	0.6
173.13329	2.7
175.11180	1.3
175.14830	1.2
177.16328	0.5
181.10060	1.0
182.11053	0.6
183.11713	3.6
184.12462	0.9
185.09616	0.7
185.13248	4.5
187.11205	1.3
187.14803	0.9
189.12834	1.0
191.14345	1.7
195.11658	1.9
197.13255	3.1
199.11180	1.5
199.14847	3.0
201.12868	0.6
203.14304	1.4
207.11742	1.3
209.13260	2.1
211.11023	0.6
211.14835	1.0
213.12668	1.8
215.14386	0.9
217.15872	1.3
221.13356	0.9
223.14789	1.0
225.16269	0.7
227.14394	0.6
235.14828	1.0
239.18092	1.6
241.12326	0.7
243.13834	0.9
245.15269	1.3
249.16403	0.7
251.18025	0.9
257.19070	1.1
259.13409	0.7
262.97397	0.6
281.19058	0.6
285.09930	0.9
313.65732	1.0
319.20453	0.9
335.23672	0.8
367.26532	0.8
370.25369	0.7
385.27121	3.1
413.26492	0.8
433.31134	1.6
451.32281	3.4
469.33148	100.0
470.33585	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	469.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01860	2.4
55.05512	20.5
57.07065	6.6
59.05011	4.1
65.03941	4.5
67.05505	31.6
69.07071	34.6
69.44907	11.3
69.45316	7.1
71.05006	18.9
73.06555	5.1
79.05498	22.6
81.03397	3.1
81.07059	59.6
83.04945	2.3
83.08632	15.3
85.06549	2.8
86.74265	2.3
91.05470	22.3
93.07043	38.4
95.04985	8.0
95.08611	77.1
97.06534	8.8
97.10181	8.8
97.40469	2.1
98.20787	4.6
99.08111	6.5
101.06020	4.2
101.94210	2.3
105.07034	45.0
107.08588	52.2
108.72503	2.1
109.06524	5.4
109.10155	55.9
111.08072	4.6
113.09654	3.6
115.07558	3.2
117.07003	7.7
119.08585	55.9
119.09407	4.5
121.06583	3.1
121.10139	41.4
121.10941	2.9
123.08071	6.2
123.11681	21.7
125.09682	3.5
125.13149	2.5
129.07007	9.2
131.08565	28.8
133.06532	2.5
133.10132	34.6
135.08090	5.9
135.11679	31.7
137.09628	2.7
137.13239	12.5
139.11079	2.6
141.07013	4.1
142.07750	5.7
143.08548	23.1
145.10127	39.1
147.08029	3.8
147.11678	22.7
149.09636	3.9
149.13258	15.6
151.11208	5.9
153.12807	4.3
155.08548	16.6
156.09363	4.6
157.10114	27.3
158.10889	2.4
159.11687	38.3
161.09686	2.7
161.13251	18.0
161.58485	2.6
163.11191	5.0
163.14842	15.3
165.07027	2.8
165.12689	3.9
167.08618	6.5
168.09370	5.7
169.10101	25.4
170.10828	4.6
171.11679	29.5
173.09634	3.6
173.13248	25.2
175.14845	17.6
177.12775	4.3
177.16399	7.9
179.08557	5.2
181.10194	6.7
182.10980	2.8
183.11710	19.1
184.12509	2.8
185.13264	21.3
187.11195	2.8
187.14810	17.6
189.12859	3.9
189.16441	10.2
191.18024	11.0
193.10167	4.7
193.15962	3.7
194.10866	4.6
195.11653	12.2
196.12378	3.2
197.13260	20.1
199.11409	3.2
199.14816	13.0
201.12735	2.6
201.16426	9.3
203.14282	3.8
203.17996	4.3
205.15869	4.7
207.11768	6.7
209.13310	11.2
210.14142	4.1
211.14890	16.9
213.16360	19.1
215.17932	8.4
219.17387	3.0
221.13249	6.2
223.14822	12.0
225.12910	2.4
225.16425	13.9
227.14453	3.7
227.18011	14.8
229.19569	5.0
231.17419	3.4
233.19104	5.4
235.14888	3.4
237.16399	12.1
239.17999	11.3
241.15892	2.8
241.19582	6.7
243.21089	3.6
245.19029	3.8
248.95291	2.4
249.16429	6.8
251.18028	10.1
253.19492	5.1
255.17473	5.5
257.19009	4.2
259.20593	3.4
263.17969	5.4
265.19778	5.6
267.18466	2.5
267.20978	14.7
269.18948	4.6
269.22937	2.9
271.20667	3.0
275.20245	4.8
277.19501	6.1
279.21143	3.7
281.19797	2.8
281.22827	10.1
283.20599	4.9
285.22211	7.2
287.20258	3.7
291.21066	4.3
292.24243	2.1
293.22681	5.9
295.20737	4.2
297.22122	2.9
299.23755	5.1
301.21698	7.3
307.24417	4.1
309.22339	3.1
309.25598	4.4
321.22427	3.2
321.26004	5.2
323.27551	4.1
333.25684	3.4
339.26865	3.1
345.25970	2.6
347.27435	8.1
349.28781	18.5
351.27295	2.4
363.30661	3.9
365.28540	4.1
379.30084	5.9
380.30103	2.8
381.27429	3.8
381.31592	15.4
389.32019	3.8
393.31583	3.4
395.29675	3.6
397.31165	8.5
401.31940	16.4
407.33203	3.7
419.33127	45.2
433.34818	8.2
437.34048	15.2
441.33728	6.7
451.35815	50.0
469.36853	100.0
470.37097	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	471.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01866	0.5
56.96552	0.3
57.03440	1.3
60.31446	0.2
61.02917	2.2
65.03943	0.3
69.03427	4.2
70.06601	0.3
70.50652	0.8
71.04996	0.6
73.02905	1.0
75.04443	0.2
77.52328	0.2
81.03041	0.2
81.03424	1.8
83.01308	0.3
84.99320	0.2
85.02906	18.8
87.04472	0.3
91.03946	0.8
92.04990	0.2
95.04957	0.3
97.02896	4.8
98.06076	0.5
99.04448	0.8
104.04998	4.4
106.97804	0.2
109.02859	1.9
120.04478	0.4
127.03910	4.2
129.04485	1.3
130.02881	1.0
130.03821	0.3
134.09653	0.3
145.04959	5.5
147.05530	100.0
148.05862	1.7
163.06046	0.9
188.10770	0.3
237.03004	0.4
241.86241	0.3
277.12521	0.3
291.14026	0.5
308.14880	0.6
309.15298	1.4
350.93811	0.2
471.14835	0.3
471.20633	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	471.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01860	9.2
55.05515	28.1
56.96552	6.5
57.03429	7.5
57.07075	3.1
58.83712	3.4
64.78130	2.6
67.05200	3.2
67.05508	46.9
69.03410	9.6
69.07071	32.2
69.64066	5.2
69.64478	16.9
71.04977	10.0
71.08655	3.2
74.19690	3.1
79.05503	28.0
81.03394	10.8
81.07054	39.1
83.04964	13.1
83.08617	15.5
85.02882	7.2
85.06538	4.4
85.14549	3.0
91.05491	26.4
93.07049	28.6
95.04983	14.4
95.08609	35.3
97.02867	4.8
97.06524	26.5
97.10168	11.7
98.21497	6.6
103.05420	3.9
105.07032	22.9
107.04964	16.3
107.08591	28.4
109.06512	9.6
109.10167	28.9
111.08068	3.8
112.07613	22.6
113.07931	5.0
115.05388	4.0
117.06990	9.2
119.04871	3.2
119.08590	27.6
121.06451	4.4
121.10145	28.1
123.08044	11.2
123.11681	7.4
125.09589	9.4
128.06261	4.0
129.06993	6.2
131.04921	5.8
131.08545	12.0
133.10115	13.3
135.08047	10.3
135.11674	7.1
137.09616	14.7
139.11208	5.0
141.07043	4.0
143.08537	10.5
145.02805	3.7
145.06477	5.2
145.10124	11.9
147.04382	11.6
147.08035	5.9
147.11661	10.6
149.05855	3.3
149.09666	15.0
149.13252	4.2
155.08571	5.7
155.10616	5.6
157.06477	7.1
157.10072	6.7
159.04404	10.1
159.08057	5.1
159.11682	9.4
161.05927	3.6
161.09602	6.2
161.13298	5.4
163.03893	5.5
163.11148	11.0
163.14854	3.8
165.06995	6.6
165.09111	10.5
167.08615	4.5
169.10069	4.7
171.08032	3.7
171.11655	9.2
173.02225	4.9
173.06020	7.1
173.11800	6.0
173.13225	8.4
175.03885	26.3
175.11217	4.4
177.12755	6.0
179.08571	4.2
179.10641	3.9
181.06485	6.3
181.10120	5.8
183.04434	7.3
183.08014	4.9
185.06004	9.1
185.09500	4.1
185.13206	4.6
187.03909	100.0
189.05403	6.4
189.09193	3.9
189.11125	3.8
193.04950	7.7
194.05362	3.6
195.08026	5.5
195.11578	3.8
197.05989	10.0
197.09558	3.3
199.03899	27.7
199.07541	9.6
201.05495	12.3
206.07320	4.0
209.09657	5.6
211.07582	7.9
213.05486	38.1
213.09064	4.4
215.06981	5.7
217.04932	23.1
217.12119	3.7
222.06696	3.7
223.07626	5.0
225.05333	6.1
225.09109	6.6
226.06351	4.7
227.07002	10.9
227.10660	4.4
231.08061	3.3
233.09746	4.1
235.13368	4.0
237.09142	11.8
239.03316	4.7
239.10541	3.5
241.05013	4.3
241.08568	7.0
243.10074	4.7
251.07140	4.8
251.10777	4.9
253.08450	5.8
255.10149	72.3
255.17378	4.4
267.10120	13.7
269.11664	15.7
271.13449	4.0
273.18497	10.8
279.10193	6.6
283.13211	11.5
291.10272	3.8
291.19489	31.6
293.11572	5.2
297.10962	3.5
307.13428	3.5
325.14349	5.2
333.94620	4.0
389.21371	6.4
399.19122	3.9
407.21979	8.2
417.20587	17.1
435.21594	29.1
435.31851	3.7
453.13919	4.3
453.22525	10.0
453.33591	5.2
471.24097	6.9
471.34283	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	471.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
55.01860	8.2
55.05513	28.7
57.03426	6.4
57.07064	3.2
65.03934	2.6
67.05505	60.7
67.82376	1.7
69.03417	8.6
69.07067	36.1
71.04984	4.1
71.38063	3.8
79.05489	48.1
81.03416	27.6
81.07056	33.3
83.04964	9.8
83.08611	15.0
85.02927	3.3
85.06511	2.6
89.03909	2.1
91.05475	42.6
93.07042	39.9
93.57536	2.1
94.04158	3.2
95.04971	24.7
95.08604	38.1
97.02885	2.8
97.06513	10.1
97.10157	15.4
105.07034	21.1
107.04962	44.5
107.08602	32.2
109.06504	8.7
109.10160	31.6
110.87537	1.9
111.08101	3.4
115.05479	5.7
117.07027	15.0
119.04907	2.5
119.08581	28.0
121.06487	8.6
121.10152	18.6
123.08068	7.6
123.11694	2.8
125.09624	14.0
129.07010	9.4
131.04898	4.6
131.08574	16.1
133.02808	4.4
133.06476	7.0
133.10106	9.4
135.08051	18.6
135.11674	4.3
136.08812	4.3
137.09639	18.7
139.11188	4.3
142.07800	2.2
143.08565	9.1
145.02864	2.3
145.10126	15.8
147.04427	2.8
147.08008	11.9
147.11678	6.7
149.09624	39.5
151.07512	2.9
155.08554	3.1
155.10667	3.8
155.92207	2.1
157.06464	3.5
157.10127	7.4
159.04445	7.1
159.11684	10.3
161.02330	6.8
161.09633	5.8
161.13278	3.9
163.03917	29.3
163.11203	9.8
165.09105	3.5
167.08589	2.9
169.10144	2.3
171.11699	3.1
173.02359	15.4
173.05974	4.0
173.11743	14.2
173.13136	3.3
175.03929	4.1
175.11162	9.4
177.12703	3.0
183.04405	3.5
185.05901	2.7
185.09686	2.7
185.13362	3.2
187.03918	11.4
187.11172	4.8
189.11171	8.8
189.12746	5.0
195.11728	2.5
199.03882	10.8
201.05379	3.6
203.10641	3.2
203.14288	2.4
205.12285	3.2
213.05443	5.4
213.16449	2.2
217.12233	3.3
223.13263	7.1
227.17903	3.5
235.13235	14.5
236.10112	2.3
245.18970	4.5
249.09001	2.2
255.10188	16.2
255.17455	5.4
265.12207	2.9
269.11725	7.1
273.18469	29.2
274.19153	5.0
283.13248	12.9
291.19543	100.0
292.20093	7.7
297.11292	8.2
391.73050	2.4
407.22043	3.1
417.20706	10.8
435.21762	16.6
453.22748	4.3
471.34818	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	471.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01872	7.5
55.05510	24.1
56.72515	1.5
56.96558	2.2
57.03426	3.4
57.07076	1.8
65.03922	3.9
67.05504	42.4
68.58781	1.5
69.03426	6.7
69.07069	36.8
69.90377	3.4
69.90784	5.1
71.04977	2.4
77.03908	1.5
79.05489	35.2
81.03416	29.8
81.07053	28.3
83.04984	10.5
83.08622	7.6
85.06537	3.2
91.05477	28.5
93.07043	38.7
94.07819	1.5
95.04964	19.1
95.08604	36.5
97.02895	1.9
97.06522	8.5
97.10143	7.8
98.21577	1.6
98.34415	1.2
99.08105	2.5
102.04762	1.2
103.05472	2.8
104.36588	1.5
105.03387	1.6
105.07035	22.0
107.04955	40.4
107.08591	31.6
109.06483	7.7
109.10155	23.2
111.04430	3.0
111.08100	2.6
115.05462	3.8
117.07014	13.6
119.05028	1.6
119.08578	27.7
121.06542	7.0
121.10138	19.3
123.08048	9.3
123.11707	4.6
125.09615	8.2
129.07007	6.0
131.04922	3.8
131.08559	17.2
133.02844	3.2
133.06512	5.2
133.10112	11.6
135.04405	2.7
135.08054	12.7
135.11691	4.9
136.08856	3.1
137.09616	13.4
139.07578	1.9
139.11177	3.6
141.07008	2.5
142.07777	2.4
143.08577	7.7
144.03723	1.4
145.02899	1.7
145.06462	3.4
145.10123	11.8
147.04422	1.6
147.08057	5.7
147.11703	5.8
149.09624	40.1
149.13272	2.9
151.07565	1.7
151.11179	2.7
155.08540	2.9
157.06429	2.1
157.10094	7.5
159.04445	9.9
159.08084	1.8
159.11662	11.0
161.02333	6.0
161.09657	6.9
161.13301	4.4
163.03900	21.4
163.11183	8.4
165.09152	2.3
167.10669	16.7
169.10149	5.5
171.11696	5.2
173.02335	13.4
173.06006	4.2
173.09544	3.1
173.11752	9.3
173.13350	4.1
175.03851	1.9
175.11124	7.3
175.14862	2.5
177.05344	1.7
177.12817	4.8
179.10725	1.9
181.10178	2.4
181.12213	1.5
182.17297	1.4
183.04443	3.3
183.11737	2.8
185.05960	3.2
185.09644	1.8
185.13237	5.5
187.03903	12.3
187.11212	3.4
187.14900	2.5
189.11206	2.1
189.12767	4.0
195.11679	2.0
197.05914	2.1
197.13237	3.8
199.03893	13.9
201.16423	1.6
203.10655	3.1
205.12210	2.4
205.15923	2.2
213.05490	4.6
213.16339	1.9
217.15796	2.0
218.10307	1.5
221.11731	2.3
223.13284	5.0
225.05466	2.0
227.17946	3.1
235.13251	11.2
237.16309	1.8
241.02219	1.5
245.18996	5.0
253.19624	1.7
255.10207	11.1
255.17372	3.9
265.12241	3.1
267.10132	1.5
267.20993	2.0
269.11832	6.2
273.18539	21.7
283.13226	8.7
291.19531	100.0
292.20108	3.9
297.11182	6.4
311.12885	1.5
315.12439	2.3
337.14404	1.5
378.82828	1.5
407.22141	2.6
417.20435	11.0
435.21808	13.2
435.32544	4.5
453.22852	3.5
453.33881	13.2
471.24057	4.1
471.34711	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	471.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
55.01863	18.0
55.05518	30.3
55.59443	3.6
56.96560	4.0
65.03928	4.4
67.05508	74.8
69.03429	11.0
69.07070	46.8
69.79663	23.7
71.05025	4.6
73.82581	3.5
76.22551	3.4
79.05497	100.0
81.03413	28.9
81.07059	55.3
83.04989	13.4
83.08614	18.2
83.17000	3.3
85.06541	4.5
89.79032	3.6
91.05479	74.5
93.07047	70.0
93.07594	7.3
94.07858	3.4
95.04977	27.2
95.08614	70.2
97.06525	12.6
97.10177	14.5
98.21581	4.2
98.74023	3.6
103.05467	6.4
105.07025	41.9
107.04958	55.8
107.08606	75.6
109.06538	21.1
109.10146	37.3
111.08055	4.3
114.24077	4.3
115.05431	11.0
117.07030	25.2
119.07811	4.8
119.08583	35.9
121.06517	12.3
121.10139	34.8
123.05634	3.6
123.08060	24.3
125.09641	14.7
128.06207	6.1
129.06976	20.1
131.04933	8.5
131.08582	24.2
133.02829	14.1
133.06459	9.1
133.10150	22.6
135.08067	25.6
136.08823	11.1
137.09622	20.7
141.06996	6.9
143.08591	12.1
145.02808	4.9
145.06503	7.3
145.10167	13.5
147.04433	7.5
147.08070	12.0
147.11726	9.9
149.06035	4.7
149.09608	53.6
151.07477	4.7
151.11153	5.9
153.09157	4.0
155.04857	4.3
155.08591	6.9
157.06564	4.5
157.10159	13.9
159.04420	16.2
159.11714	10.4
161.02359	9.1
161.09612	19.6
162.03108	3.9
163.03911	76.5
163.11217	9.4
165.09125	6.0
167.08609	6.4
169.10155	5.4
171.11668	8.1
173.02374	23.9
173.06007	8.5
173.11739	5.8
173.13228	4.4
175.03955	12.6
175.11214	18.6
177.12773	7.5
179.10832	5.6
181.10107	5.3
185.05913	6.5
187.03886	34.3
187.11293	6.4
189.05504	6.6
189.11226	4.6
189.12801	7.5
193.12199	5.6
197.06070	6.2
199.03946	21.9
201.05516	10.5
205.12285	10.0
213.05528	5.7
227.17937	9.8
237.16351	4.1
241.08612	7.9
245.19038	8.4
255.10197	13.0
255.17415	13.2
257.18918	4.6
269.11771	27.8
273.18442	35.7
275.19818	4.3
283.13321	10.7
291.19577	70.9
293.11572	5.8
297.11282	10.2
311.12714	8.5
313.14200	7.9
315.12115	4.7
389.21030	5.2
399.19574	5.8
407.22455	7.0
417.20590	86.4
435.21646	39.1
435.32962	4.2
453.22491	8.6
453.33966	4.5
471.34961	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	471.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.6
55.01872	20.5
55.05511	38.4
57.03436	7.6
65.03929	9.8
67.05504	80.9
69.03416	13.3
69.07069	65.1
69.36218	36.1
71.04997	10.4
79.05039	5.2
79.05492	100.0
81.03424	34.6
81.07058	67.1
83.04965	16.3
83.08612	19.1
85.06538	8.1
89.03912	4.3
91.05477	88.2
93.07037	77.4
95.04971	28.0
95.08604	91.4
97.06521	20.6
97.10175	15.9
102.03006	4.1
103.05490	6.9
105.03399	6.5
105.07018	57.2
107.04948	56.7
107.08595	80.3
109.06516	19.1
109.10153	37.9
111.08056	9.2
115.05474	5.3
117.07028	27.1
119.08562	38.7
121.06511	13.4
121.10141	50.7
123.08058	24.9
123.11715	4.7
125.09626	18.5
128.06168	5.3
129.06976	16.0
131.04907	8.2
131.08543	27.7
133.02864	21.1
133.06476	14.8
133.10109	29.1
135.04474	7.0
135.08063	21.9
135.11676	10.9
136.08832	8.0
137.09605	25.6
139.11176	5.5
141.07030	7.5
143.08542	12.7
145.02798	5.3
145.06494	8.3
145.10101	20.3
147.04390	4.6
147.08014	10.5
147.11670	18.0
149.09625	43.6
151.07535	7.7
151.11157	10.6
153.06993	4.3
155.08635	4.4
157.06551	5.2
157.10098	17.5
159.04413	13.7
159.08101	5.6
159.11697	10.7
161.02313	12.9
161.09621	28.6
161.13278	5.8
163.03902	81.2
163.11198	11.4
165.09184	10.2
167.08533	7.3
167.10629	5.3
169.10045	7.6
171.04482	6.2
171.11659	8.1
173.02342	25.4
173.05986	13.0
173.11787	9.1
173.13249	6.3
175.03836	9.0
175.11179	17.2
179.10638	6.5
181.06462	4.6
181.10229	4.9
183.04399	4.1
183.11615	5.7
185.05966	8.3
185.09534	6.2
185.13266	6.9
187.03897	42.0
187.11215	9.5
195.11662	6.3
197.06026	8.2
199.03909	28.5
199.07539	6.0
201.05440	13.4
205.15544	4.4
209.13271	5.0
213.05377	8.9
223.13165	6.1
227.17969	10.7
237.16321	5.2
241.08701	4.9
245.18961	11.3
255.10213	17.6
255.17426	12.5
265.12283	8.4
267.10205	9.1
269.11804	27.7
273.18506	44.3
281.11505	5.1
283.13242	21.8
291.19543	68.7
293.11740	4.8
295.13339	5.2
297.11163	14.7
309.10922	5.2
311.12860	13.1
313.14304	6.3
316.47849	5.0
391.22501	5.7
407.22128	14.7
417.20578	88.5
435.21619	47.8
435.32224	8.8
453.22711	14.3
453.33475	6.7
471.24500	4.7
471.35028	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	471.2377
Annotation	Subtrifloralactone L
Peak:m/z	Relative Intensity
53.03941	3.6
55.01872	9.7
55.02099	1.8
55.05510	17.9
56.96569	2.5
57.03425	3.3
67.05504	34.7
69.03428	4.8
69.07067	29.6
70.66216	6.0
71.04991	4.2
79.05491	37.8
80.06300	1.9
81.03417	20.1
81.07047	23.1
82.04193	8.9
83.04967	8.5
83.08646	4.7
85.02914	2.6
85.06540	2.6
91.05480	25.2
92.06277	2.3
93.07043	35.9
94.07816	3.3
95.04967	40.6
95.08601	22.8
96.05776	2.5
96.09377	3.0
97.06533	7.6
97.10165	8.0
105.03394	5.4
105.07031	23.5
107.04222	4.4
107.04950	77.6
107.08593	23.9
108.05749	2.5
108.09403	3.5
109.06506	8.3
109.10169	13.4
111.08091	3.7
115.05458	4.3
117.07034	12.4
119.04948	4.7
119.08559	20.5
121.06497	26.9
121.10139	19.4
123.04462	3.1
123.08066	10.8
124.08852	2.7
125.09625	2.0
129.07019	6.3
131.08533	13.9
132.09334	2.7
133.02878	13.8
133.06488	8.6
133.10162	16.1
135.04404	2.8
135.08063	15.9
135.11685	10.7
137.09662	6.1
137.13170	2.0
139.11157	5.4
141.07014	3.3
143.08530	5.5
145.06502	4.4
145.10130	8.0
147.08037	8.8
147.11731	5.4
149.05975	1.9
149.09619	58.6
149.13213	3.2
150.10362	3.8
155.08585	2.9
156.09395	2.4
157.06529	4.8
157.10106	4.6
159.08081	3.0
159.11723	9.6
161.02419	2.9
161.09697	4.3
161.13286	4.7
163.03918	12.2
163.11191	5.5
165.09109	2.5
171.11607	2.2
173.02351	4.1
173.05981	2.9
173.13370	4.1
175.11221	3.7
175.14890	2.8
177.12840	5.4
179.03380	22.7
179.10727	2.0
183.11719	2.3
185.13289	5.3
187.03970	4.5
187.11191	2.2
191.03429	3.4
195.11720	2.1
197.13229	2.9
199.03857	2.7
199.14824	3.3
201.16360	2.5
203.10577	2.2
203.18114	2.4
207.02962	2.6
207.13919	2.2
209.13225	3.4
213.05487	4.2
217.15869	3.9
219.17574	2.2
227.17836	2.6
237.14835	6.5
245.15265	9.3
245.18987	2.5
249.15012	2.6
259.05969	3.1
259.16907	2.7
263.16434	32.4
269.11716	3.6
273.18542	6.2
275.20062	12.0
291.19629	7.2
292.20316	67.9
293.21149	17.6
301.14355	4.0
357.12637	2.3
417.20587	4.6
435.21689	60.6
435.32520	3.8
443.19949	2.3
453.22720	28.5
453.33707	6.1
471.23828	100.0
471.34393	22.0
472.24356	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	471.3462
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
52.20537	0.4
53.03944	1.4
55.01862	1.2
55.05510	5.4
56.96552	0.7
57.03427	0.8
57.07077	4.3
59.04989	1.1
67.05509	7.7
69.03426	1.6
69.07069	6.4
69.32996	1.2
69.33409	3.4
71.04993	1.2
71.08630	0.4
73.06547	1.9
73.14581	0.5
79.05501	9.7
81.03411	1.9
81.07059	12.0
83.04980	3.2
83.08620	2.8
84.08120	0.7
85.02927	1.1
85.06543	2.3
91.05479	9.8
93.06499	0.9
93.07047	12.8
95.04974	6.0
95.08604	12.5
95.77430	0.5
97.06535	2.7
97.10159	2.1
99.08071	0.8
103.05450	0.7
105.04483	0.5
105.07034	12.4
107.04967	4.2
107.08592	18.0
109.06525	6.3
109.10159	8.1
111.08086	2.0
115.05399	0.7
117.06281	0.6
117.07012	3.7
119.08589	15.1
121.06481	3.4
121.10141	13.7
122.91404	0.5
123.08060	3.4
123.11726	5.5
125.09627	1.8
128.06194	1.4
129.07021	2.9
131.08559	8.4
133.06531	1.4
133.10132	11.7
135.04410	0.8
135.08055	4.0
135.11694	5.6
137.09628	2.4
137.13274	1.5
139.11185	1.2
141.07025	1.2
142.07794	1.2
143.08554	6.7
144.09341	1.0
145.06520	0.8
145.10127	9.7
147.08031	2.0
147.11697	5.8
149.09621	7.5
149.13249	2.5
151.07536	0.5
151.11217	3.5
153.06969	0.7
155.08551	3.4
156.09328	1.9
157.06511	0.7
157.10130	8.7
158.10957	0.6
159.04474	0.6
159.08078	1.0
159.11702	7.0
161.09608	1.9
161.13258	5.8
163.03920	1.8
163.11176	4.2
163.14793	0.6
165.07133	0.5
165.09030	0.8
165.12750	1.5
167.08560	0.9
167.10751	2.4
168.09285	0.5
169.10106	5.7
170.10831	1.0
171.08101	0.6
171.11684	6.7
173.02451	0.9
173.09627	1.5
173.11726	0.8
173.13202	5.1
175.11218	2.1
175.14842	2.1
177.12791	2.1
179.08607	0.5
179.10696	0.5
179.14349	2.4
180.09465	0.6
181.10161	1.5
181.12227	0.5
182.10867	0.6
183.11690	5.9
185.06068	0.7
185.13231	6.0
187.03932	2.1
187.11209	0.7
187.14864	3.0
189.12743	0.9
189.16376	1.6
191.14378	1.1
195.11696	2.1
195.13623	0.6
196.12399	0.9
197.06036	0.6
197.13271	5.9
198.13858	0.6
199.03972	0.9
199.07681	0.5
199.11212	0.8
199.14868	3.3
201.05429	0.9
201.12766	0.8
201.16399	1.7
203.14348	1.3
203.18080	0.8
205.15851	1.4
207.11739	0.9
209.13293	2.3
210.13986	0.6
211.07632	0.6
211.14830	3.6
213.05489	1.7
213.09105	0.5
213.16455	3.0
215.14330	0.5
215.18015	0.6
217.15965	1.2
221.13289	1.7
223.15044	2.3
223.16919	0.9
225.05402	0.5
225.09038	0.8
225.12784	0.7
225.16400	2.0
227.10707	0.9
227.17995	1.5
229.16054	0.9
229.19447	0.8
231.17549	1.0
235.14880	0.8
235.16983	1.0
237.16382	1.4
239.14308	0.5
239.17903	2.3
241.15927	1.2
241.19534	1.8
243.17480	1.0
245.19009	1.5
247.16995	2.5
251.17937	2.1
253.19470	2.6
255.10205	3.3
255.17415	0.8
255.21124	0.9
257.19101	1.2
263.17792	0.6
265.19449	0.7
267.21152	4.6
269.12167	1.2
269.19092	1.1
271.20517	1.6
273.18564	1.2
279.81339	0.6
283.13452	0.6
283.20572	0.6
285.10266	0.6
285.22040	2.3
291.19485	4.1
295.20517	0.9
297.22058	0.7
299.20041	0.9
313.21689	1.2
321.22397	0.6
327.23190	0.7
335.23669	0.7
339.23175	0.6
353.25003	0.7
363.26834	1.4
381.27979	1.5
399.29092	2.5
405.31607	0.6
417.20667	0.8
417.31528	3.0
435.21951	0.8
435.32587	7.8
443.20074	0.5
453.22971	1.0
453.33713	7.6
471.20761	2.8
471.34705	100.0
472.19684	0.6
472.35040	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	471.3469
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
55.01870	0.7
55.05318	0.4
55.05513	4.7
57.07073	4.2
57.28784	0.7
59.05001	1.2
63.61022	0.5
67.05508	5.8
69.03424	1.1
69.07077	4.9
69.72552	3.5
71.04989	1.2
73.06544	1.7
74.43959	0.5
76.01469	0.6
79.05487	5.7
80.34548	0.6
81.03422	2.8
81.07058	8.8
83.04976	2.1
83.08604	2.0
85.06547	1.7
91.05473	5.6
93.07045	8.7
95.04956	5.1
95.08612	10.2
97.02889	0.8
97.06535	2.6
97.10173	1.0
99.08086	0.7
101.37997	0.6
105.07030	9.5
107.04986	2.8
107.08598	15.0
109.06505	4.6
109.10147	7.2
111.08091	1.1
115.05437	0.8
117.07001	2.8
119.08572	11.0
121.06531	1.9
121.10147	10.7
123.08080	2.5
123.11688	5.3
125.05989	0.7
125.09610	1.2
129.06982	1.8
131.08591	8.1
133.10118	9.3
135.08060	3.1
135.11710	5.1
137.09612	1.9
137.13284	1.0
139.07584	0.6
139.11214	1.0
141.06989	0.9
142.07782	1.6
143.08600	5.5
145.10130	8.4
147.03244	0.6
147.07997	1.3
147.11670	4.3
149.09639	5.2
149.13275	2.2
151.11206	2.8
155.08577	2.5
156.09370	1.2
157.10120	7.9
159.08076	1.1
159.11705	6.3
161.09648	1.7
161.13239	5.2
163.03894	1.0
163.11169	3.5
163.14854	1.0
165.12711	1.4
167.08530	0.7
167.10667	2.7
169.10143	3.6
170.10918	1.4
171.11716	5.6
173.09642	1.1
173.11899	1.1
173.13223	5.2
175.11217	2.1
175.14836	1.7
177.12753	1.7
179.14275	1.6
181.10077	1.3
182.10892	0.9
183.11653	5.8
184.12460	0.7
185.05957	0.7
185.09688	0.9
185.13257	4.0
187.14841	1.7
189.12791	1.3
189.16371	0.8
191.14305	1.1
193.10109	0.8
194.10910	0.7
195.11736	2.2
195.13705	0.9
197.13222	3.9
199.03929	0.8
199.11188	0.8
199.14880	2.3
201.05365	1.1
201.12682	0.6
201.16397	1.4
203.14304	1.3
205.15854	1.2
209.13275	2.0
211.14835	4.1
213.16399	2.3
215.17966	0.9
217.15871	1.1
221.13339	0.8
223.14920	1.4
225.16322	3.1
226.95593	0.8
227.14326	1.0
227.18060	1.3
229.16026	1.1
235.14883	0.8
235.16986	1.0
237.16484	1.6
239.17935	2.1
241.15854	0.6
241.19463	1.3
243.17441	1.0
245.19022	0.7
247.16966	1.4
251.18037	1.7
253.19534	3.6
255.09990	0.9
257.19083	1.2
259.20706	0.8
267.21014	3.8
269.12204	1.0
271.20535	1.8
281.18967	1.4
283.20798	0.7
285.22095	2.9
291.19400	3.3
295.20740	0.8
313.21573	1.0
339.23398	0.9
363.26883	2.6
381.28018	1.4
399.28970	1.9
405.31717	1.0
417.31650	1.9
423.32681	1.2
435.32642	7.1
453.33716	7.4
454.34512	0.7
471.34726	100.0
472.35089	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	Ilelatifol D
Peak:m/z	Relative Intensity
50.83144	0.4
51.02387	0.5
53.03941	0.6
55.05503	4.1
56.96560	0.6
57.03423	0.6
57.07078	2.9
59.04988	1.4
63.94318	0.5
65.03932	0.7
67.05503	5.5
67.22870	0.4
69.03434	1.1
69.07070	5.4
71.08622	0.5
71.20605	0.8
73.24541	0.4
75.36255	0.4
79.05488	4.8
81.03423	0.6
81.07052	7.1
83.04983	2.1
83.08603	2.5
84.08443	0.4
85.02880	0.4
85.06539	1.9
91.05470	5.1
93.07041	7.8
95.04969	1.7
95.08611	12.4
97.06519	1.5
97.10160	1.1
105.07022	7.0
107.04969	1.3
107.08583	9.6
107.09301	0.5
108.66593	0.4
109.06517	3.8
109.10141	7.8
109.13168	0.4
111.08073	2.7
115.05470	1.1
117.07016	2.0
119.08575	9.1
121.06470	0.7
121.10148	5.7
123.08065	2.6
123.11693	5.2
125.09649	1.1
128.06227	1.1
129.07011	3.3
131.08554	5.2
133.10121	5.7
135.08032	1.4
135.11688	4.4
137.09624	2.9
137.13231	1.0
139.11166	0.5
141.06979	2.3
142.07796	1.2
143.08551	7.3
144.09167	0.4
145.06467	0.5
145.10114	6.2
147.08044	0.6
147.11674	4.0
149.09636	1.8
149.13268	1.6
151.11176	10.3
153.12743	7.2
154.07802	1.0
155.08563	5.8
156.09297	1.3
157.10117	6.9
159.08070	0.5
159.11676	5.7
161.09601	0.9
161.13249	1.8
163.11177	1.0
163.14825	0.9
165.06953	0.9
165.09134	0.8
165.12798	2.1
166.07751	0.8
167.08565	1.4
168.09354	1.2
169.10135	7.6
171.11693	5.9
173.05928	0.4
173.09514	0.8
173.13205	2.6
175.11281	0.7
175.14879	1.0
177.12779	2.9
179.08588	0.8
179.14301	1.6
180.09218	0.5
181.10085	4.9
182.10893	1.3
183.11678	8.8
184.12296	0.6
185.09688	0.4
185.13235	3.2
187.14862	1.2
189.12796	0.7
189.16452	0.8
191.14297	0.7
193.10208	0.8
194.10829	0.6
195.11681	5.1
196.12447	0.9
197.13214	5.6
199.03957	0.5
199.14798	2.5
201.16328	0.6
203.14339	0.4
207.11668	1.7
207.17482	1.3
208.12540	0.7
209.13257	3.4
210.14037	1.1
211.14827	3.5
212.15477	0.5
213.16414	1.7
215.18030	0.8
219.17563	1.3
221.13260	1.1
222.14075	0.5
223.14767	3.6
224.15599	0.6
225.16391	4.0
227.17966	1.2
231.17482	0.6
235.14874	1.0
236.15407	0.6
237.16302	4.7
238.17168	0.6
239.17970	3.9
241.19588	0.6
245.18893	0.6
249.16394	1.2
251.17964	7.5
253.19493	14.9
254.19989	0.4
257.19003	0.6
265.16812	0.7
265.19476	3.7
267.17764	0.6
267.20993	0.5
269.19040	1.5
271.20575	6.2
273.18716	0.6
279.21188	0.6
283.12958	0.5
283.20630	1.9
291.20688	0.4
297.22165	0.9
305.22632	0.6
309.22311	1.0
323.23389	0.6
335.23837	0.8
337.24939	0.5
349.24915	0.6
351.66614	0.6
405.31561	13.7
406.31992	0.6
417.20892	0.7
417.31622	2.1
423.32535	4.9
435.21875	0.7
435.32510	1.7
453.33734	1.5
471.34702	100.0
472.34985	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	471.347
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05497	2.5
57.07072	0.8
67.05498	2.0
69.07077	4.5
69.36839	1.4
69.37253	4.0
79.05477	1.5
81.07050	3.8
83.08611	4.2
91.05472	2.5
93.07054	2.8
95.04989	1.2
95.08600	7.1
97.10164	0.9
105.07037	3.1
107.08597	5.6
109.06538	0.9
109.10170	2.7
111.08055	0.8
119.08584	7.5
121.06472	0.8
121.10126	3.4
123.08080	1.9
123.11697	1.2
131.08528	0.9
133.10132	5.7
135.08061	1.2
135.11697	7.0
137.06003	1.3
137.09604	2.7
138.06685	0.6
145.10138	1.7
147.08017	0.9
147.11687	3.0
149.09636	0.9
149.13274	1.7
151.07555	7.6
151.11227	0.8
153.09119	1.2
157.10146	0.8
159.11661	1.0
161.09596	1.6
161.13263	1.6
163.14796	2.0
165.09076	1.3
165.12793	0.6
166.09932	2.7
171.11699	0.9
173.13287	0.8
175.11177	0.7
175.14838	2.2
179.10730	0.9
185.13179	0.7
187.14857	1.8
189.16379	11.0
191.17896	0.6
197.13226	0.7
199.75404	0.6
203.14340	1.1
207.17451	10.2
217.15929	1.0
221.15344	4.0
226.52521	0.5
233.15251	0.6
345.27890	4.6
347.25848	0.9
359.25827	2.3
365.54678	0.6
373.27292	1.2
374.28152	2.3
375.28763	1.6
386.59082	0.6
425.34125	1.3
443.35202	100.0
444.35541	7.3
453.33551	1.7
471.34760	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	471.347
Annotation	Lantic acid
Peak:m/z	Relative Intensity
53.03925	0.4
53.27461	0.3
55.05507	2.0
56.96556	0.5
57.07066	0.9
67.05510	3.7
69.03425	0.7
69.07071	3.8
70.56686	0.9
73.06552	0.4
75.04482	0.5
77.85245	0.3
79.05494	2.4
81.07053	7.6
83.04980	3.2
83.08621	1.7
85.06557	1.0
86.77779	0.4
91.05486	2.9
93.07050	6.2
95.04984	1.8
95.08605	10.3
97.06527	1.6
97.10154	0.8
99.08044	0.5
105.07029	9.1
107.08599	10.6
108.08895	0.4
109.06547	0.7
109.10152	5.4
111.08064	1.2
113.09620	0.5
117.07043	0.8
119.08574	12.3
121.06490	0.5
121.10148	7.4
123.08061	0.9
123.11707	2.9
125.09620	0.6
129.07008	0.5
131.08546	2.3
133.06454	0.5
133.10132	8.2
134.10580	0.4
135.08058	1.3
135.11688	7.9
136.12076	0.4
137.09576	1.0
137.13263	1.5
139.11197	0.4
141.07013	0.5
143.08560	2.2
145.10114	4.0
147.08008	1.8
147.11688	4.9
149.09669	0.7
149.13321	2.1
151.11165	0.8
153.09096	1.1
155.08604	1.1
156.09349	0.5
157.10141	3.0
159.08069	0.8
159.11700	2.8
161.09607	3.0
161.13252	3.3
163.11166	0.7
163.14807	1.4
165.09225	0.4
169.10141	1.3
171.11668	2.6
172.95274	0.6
173.09579	0.6
173.13274	4.0
175.11243	1.2
175.14824	8.3
177.12881	0.4
177.16418	1.8
179.14265	0.6
182.11002	0.5
183.11719	1.5
185.13310	1.2
187.11258	0.6
187.14803	4.0
189.12784	0.8
189.14629	0.8
189.16376	15.9
191.17920	1.7
193.15875	0.6
197.13235	2.8
199.14760	3.5
201.12740	0.5
201.16426	1.5
203.14354	0.4
205.16003	0.4
207.17438	1.8
209.13277	0.7
211.14886	1.2
212.15543	0.4
213.16418	1.6
214.40910	0.4
215.14301	2.1
215.17964	0.8
217.15863	7.7
221.15326	0.7
222.83026	0.4
223.14795	0.6
225.16342	0.7
227.18042	1.4
229.15996	0.9
229.19539	1.0
231.17477	0.8
233.19156	0.7
235.16913	8.4
239.17992	0.7
243.21117	0.9
245.19061	0.5
253.19522	2.7
255.20847	0.6
261.14856	0.4
263.16559	0.4
267.21124	0.9
269.19180	0.4
271.20541	6.1
272.43378	0.4
273.18591	0.5
275.16553	0.5
285.22098	0.6
287.19971	0.7
317.21039	1.7
329.25266	0.4
385.27661	0.6
389.32077	0.7
407.33148	2.3
417.31683	0.5
425.34067	10.0
425.39429	0.5
426.34766	0.4
435.32785	2.1
453.33633	2.9
471.34717	100.0
472.35110	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	471.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80529	0.5
53.03881	0.9
54.02405	0.6
55.05431	4.8
56.96500	0.8
57.03367	1.0
57.06998	2.2
59.04949	1.2
61.02859	0.8
65.03873	0.5
66.63925	0.5
67.05417	11.4
67.05819	1.6
69.06980	6.8
69.07378	1.4
71.08583	0.7
71.50215	0.8
73.02813	0.6
73.06499	0.8
75.04446	0.6
79.05398	4.4
81.03352	0.6
81.06961	18.9
81.07476	1.7
83.04894	1.4
83.08521	5.4
85.06457	1.5
89.05941	0.7
91.05466	6.1
93.06944	10.8
93.07579	0.9
95.04967	3.2
95.08609	41.0
96.08849	0.7
97.06464	1.3
97.10101	1.4
99.08018	0.9
103.05379	0.7
105.07034	12.5
107.04890	1.0
107.08597	13.3
109.06416	1.5
109.10159	18.0
111.08073	5.2
113.05909	0.5
115.05325	0.7
117.06962	1.2
119.08585	10.1
121.06393	1.5
121.10147	8.8
123.07961	2.4
123.11713	6.5
125.09526	0.8
128.06122	1.1
129.06908	2.0
130.07735	0.9
131.04828	0.6
131.08562	4.2
133.06395	0.8
133.08455	0.6
133.10126	8.1
135.08061	4.2
135.11700	7.8
137.09599	2.7
137.13145	2.4
139.11044	0.6
143.08571	3.0
145.10115	6.6
146.07150	2.2
147.08052	4.2
147.11725	6.1
149.09596	6.0
149.13286	3.4
151.11089	1.2
151.14815	4.1
153.12640	0.9
155.08517	2.6
156.09285	0.9
157.10107	3.8
159.07965	1.0
159.11703	4.2
160.08762	0.7
161.09619	55.6
161.13239	3.3
163.11160	2.5
165.12708	0.8
167.08473	0.7
168.09267	0.7
169.10121	3.7
171.11670	3.2
173.09526	2.1
173.13206	2.2
175.03700	0.7
175.11172	6.7
175.14871	2.5
177.12601	0.7
177.16286	1.6
179.03328	0.8
181.09988	0.9
182.10907	0.8
183.11690	4.7
184.12341	0.8
185.13223	2.6
187.11096	2.2
187.14717	2.4
189.12659	1.5
189.16408	3.2
191.18005	0.7
195.11687	1.3
197.13293	3.3
199.14684	2.0
201.12645	1.8
201.16324	1.0
203.14264	0.8
203.17950	3.6
209.13313	0.8
211.14830	3.6
213.12689	1.0
213.16302	2.1
215.14256	0.7
215.17819	0.7
217.15787	0.9
219.17389	0.6
223.14812	2.9
225.16319	2.7
226.17082	0.9
227.17850	0.7
229.15994	0.6
237.16460	0.6
238.17194	1.3
239.17867	1.9
243.17305	1.1
245.18976	0.7
255.21074	0.6
257.18863	1.2
259.20581	0.7
267.21155	0.9
275.19925	0.7
281.22601	4.5
285.09982	0.6
297.21967	0.7
299.23633	1.1
301.21616	29.8
312.74887	0.7
313.25269	2.0
315.23145	2.1
319.26407	1.0
331.26315	71.6
332.26505	1.2
339.55768	0.6
376.51114	0.5
421.34720	1.5
435.32608	1.0
439.35736	0.7
453.38339	3.4
471.38470	100.0
472.39041	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	471.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.05517	6.5
57.07073	2.3
59.05001	0.9
65.03959	1.1
67.05506	12.6
69.03433	1.1
69.07070	10.3
69.39984	5.0
71.04988	0.9
71.08620	0.9
73.06548	1.2
79.05490	5.3
81.07059	22.9
81.07542	1.2
82.07403	0.7
83.04924	0.7
83.08628	4.8
85.02930	0.7
85.06573	1.9
89.06023	1.2
91.05485	7.3
93.07046	11.7
95.04949	3.3
95.08605	42.9
97.02925	0.7
97.06547	1.9
97.10180	1.9
98.21567	1.0
99.08140	0.6
105.07027	13.8
107.04990	0.8
107.08593	13.3
109.06561	1.1
109.10154	19.5
110.10619	0.7
111.04456	0.8
111.08079	3.4
111.11687	0.6
117.07051	2.5
119.08574	10.4
121.06535	1.4
121.10148	10.6
123.08064	3.7
123.11706	8.7
125.09668	1.4
127.11234	0.6
128.06233	1.1
129.07022	2.0
131.04976	0.8
131.08554	5.6
133.06488	0.7
133.10139	8.7
135.08072	4.2
135.11693	8.4
137.09660	1.8
137.13303	2.1
139.11215	0.6
142.07782	0.8
142.89372	0.6
143.08574	3.8
145.06526	0.8
145.10124	7.0
145.11134	0.6
146.07207	3.0
147.08067	3.5
147.11693	6.4
149.09633	5.9
149.13219	3.3
151.14844	4.1
155.08583	1.9
156.09375	0.8
157.10129	4.1
159.11687	4.4
160.08879	0.7
161.09615	57.8
161.13312	2.7
163.11255	2.6
163.14908	0.8
165.12758	0.7
169.10078	3.0
171.11703	3.2
172.08887	0.9
172.95316	0.7
173.09709	1.6
173.13348	2.7
175.11179	7.9
175.14841	2.8
177.12776	1.1
177.16432	2.0
179.14302	0.8
181.60559	0.6
183.11673	5.2
184.12469	0.6
185.09679	0.9
185.13283	2.5
187.11240	2.6
187.14859	2.3
189.12793	2.0
189.16472	2.7
195.11551	0.7
197.13255	2.8
199.14864	1.8
201.12759	1.1
201.16428	1.8
203.14317	1.0
203.18040	2.5
207.17500	0.6
209.13293	1.0
210.14174	0.8
211.14854	3.5
212.15659	0.8
213.12796	0.9
213.16428	1.4
215.14337	0.9
215.17914	1.0
216.28291	0.7
219.17523	0.7
223.14905	1.7
225.16508	1.8
227.14436	1.1
227.18047	1.1
237.16422	0.8
238.17046	1.6
239.18115	1.9
255.21048	1.0
257.18988	1.6
259.08755	0.9
259.20685	1.3
275.20221	2.3
281.22644	5.8
283.20786	1.3
299.23792	1.2
301.21625	29.4
309.56735	0.7
313.25275	2.9
315.23407	1.3
319.26556	0.7
331.26315	72.9
332.26782	1.2
421.34933	2.0
435.32471	1.2
453.38492	3.3
463.00513	0.7
471.38507	100.0
472.38922	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	472.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.6
61.02928	0.4
69.03435	2.1
70.06596	3.1
71.04981	0.4
71.33521	0.7
79.05483	1.0
80.05058	0.3
81.03416	1.0
81.07037	0.5
82.06577	1.4
84.08148	2.1
85.02923	2.8
87.04478	0.8
91.05502	0.6
93.07024	0.4
96.08131	3.7
97.02901	1.7
98.06059	1.1
98.09690	1.5
98.97558	0.5
99.04446	0.4
100.07619	19.9
105.07040	0.4
106.93390	0.4
107.04956	1.0
109.02894	0.6
114.09144	0.3
119.04961	0.5
119.08531	0.4
120.08109	1.3
121.06509	0.5
127.03920	0.6
134.09648	1.4
135.04434	1.3
136.11221	0.7
146.09676	0.7
147.04457	0.4
147.05528	0.7
149.06003	0.5
152.10648	0.3
159.04411	0.4
162.09146	0.4
162.12762	1.9
163.03917	0.6
164.10730	0.5
165.05487	1.0
165.11377	0.4
166.08684	0.5
172.11241	2.6
177.00685	0.3
182.11777	6.2
186.12799	0.7
186.61499	0.4
187.11241	0.3
188.10661	0.8
190.10751	0.5
190.12218	2.5
196.11368	0.4
204.13879	1.0
208.13460	1.0
214.12233	2.3
232.13391	2.4
242.11746	2.2
250.14369	0.8
260.12854	6.1
264.13547	0.4
264.15945	1.7
274.14462	0.7
278.13876	17.9
282.17004	0.7
292.12177	0.4
292.15436	8.6
305.21414	0.4
308.15060	0.8
309.15826	0.3
310.16492	40.7
311.16809	0.7
345.18588	0.3
454.20975	1.0
472.21796	100.0
473.22116	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	473.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.7
55.01867	15.3
55.05514	40.5
56.96550	3.1
57.03433	7.9
57.07068	9.9
58.48037	3.2
59.05000	4.2
60.41774	2.8
65.03932	5.8
66.03005	3.0
67.05509	100.0
69.03414	10.2
69.07066	24.9
69.95952	15.9
71.04984	3.6
71.08646	24.1
79.05500	45.4
79.75855	2.7
81.03416	27.9
81.07053	60.4
83.04972	12.7
83.08637	15.1
85.06517	7.7
91.05483	47.4
93.07043	52.9
95.04982	31.2
95.08608	94.1
97.06550	4.5
97.10173	12.4
98.21558	3.1
99.08084	22.0
103.05470	5.0
105.07035	29.7
107.04959	9.6
107.08601	31.3
109.06502	12.3
109.10168	53.9
111.08076	6.0
115.05430	8.5
117.07011	16.9
119.08585	40.2
121.06487	9.9
121.10150	32.4
123.08117	21.1
123.11708	9.2
125.09611	6.7
128.06273	4.0
129.06978	8.3
131.04907	7.3
131.08531	17.4
133.06529	5.5
133.10117	27.0
135.08047	9.0
135.11673	11.2
137.09618	28.9
139.11198	15.6
141.06992	6.1
141.09073	4.6
141.12729	3.1
142.10487	3.1
143.04872	3.4
143.08548	10.4
145.06508	8.8
145.10130	15.0
147.04446	5.1
147.08046	4.9
147.11661	7.9
148.08783	4.8
149.02351	8.2
149.05994	3.2
149.08580	3.0
149.09688	5.9
149.13223	8.1
151.07533	7.6
151.11168	84.5
153.12740	6.6
155.08582	3.7
157.06487	5.0
157.10117	7.7
159.04449	24.3
159.11761	16.4
161.02362	7.7
161.06041	6.3
161.09622	18.4
161.13232	7.7
163.03896	64.2
163.11197	4.7
165.09145	7.1
165.12762	11.5
169.06485	4.0
169.10194	7.8
171.04436	4.9
171.11647	5.5
173.02353	39.9
173.05952	11.2
173.11664	9.1
173.13217	9.5
175.03900	7.0
175.14819	4.8
177.12749	17.5
183.04388	8.3
183.11714	4.7
185.06015	9.4
187.03867	24.2
187.07500	4.2
187.11156	5.7
187.14876	5.7
189.05522	6.8
191.14293	6.9
193.12225	5.0
197.05945	10.9
199.03828	10.1
199.07530	4.5
201.05495	13.8
201.12749	9.2
203.18001	4.4
205.12178	4.0
213.05493	27.0
215.06972	6.8
215.10808	3.7
224.07997	7.0
229.05110	3.5
229.19548	9.0
230.20265	4.4
239.17934	5.1
243.10197	11.2
247.20589	11.9
257.11761	30.7
257.19080	19.9
259.20468	4.3
267.13690	6.5
269.11633	9.2
271.13300	14.3
275.20099	66.2
276.20694	4.6
285.14734	13.1
293.21140	87.6
294.21762	7.3
299.12659	6.3
305.09213	3.7
313.14404	12.8
315.15872	9.3
317.13834	5.7
331.15381	8.2
381.20584	4.1
391.22656	7.3
393.24002	5.6
401.20865	4.4
409.23608	13.6
419.22223	83.7
437.23392	36.6
440.18097	3.2
455.24219	12.4
473.14316	9.2
473.25693	6.4
473.36938	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	473.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01870	5.3
55.05516	12.0
57.03416	2.0
57.07072	4.1
59.04994	1.4
65.30751	1.1
67.05506	31.4
69.03426	2.3
69.07071	10.7
70.08626	2.4
70.09001	5.4
71.04977	2.8
71.08633	10.5
71.97445	1.3
79.05154	1.2
79.05503	13.1
81.03411	16.0
81.07056	20.4
83.04984	5.5
83.08621	4.4
85.06550	3.6
91.05490	12.1
93.07043	18.0
95.04964	16.6
95.08607	27.9
97.06554	3.3
97.10167	4.7
98.21507	1.6
99.08089	11.7
103.05476	2.6
103.16429	1.2
105.07034	8.8
107.04954	3.9
107.08595	11.4
107.36641	1.4
109.06502	2.8
109.10151	14.9
109.55759	1.2
111.08076	3.0
115.05440	1.9
117.07024	4.9
117.25945	1.3
119.08581	10.9
121.06538	3.0
121.10165	10.6
123.08082	4.9
123.11710	3.9
125.09647	3.3
127.11237	1.4
129.07014	2.1
131.04939	1.8
131.08582	4.8
133.06541	2.4
133.10139	8.9
135.08081	3.5
135.11702	5.0
137.09627	7.2
139.11192	9.0
141.06961	2.2
141.09120	2.4
143.08511	2.9
145.06386	1.9
145.10121	6.0
147.04436	1.7
147.08067	3.4
147.11674	3.4
147.63231	1.3
149.01245	1.6
149.02327	2.3
149.09637	4.1
149.13217	2.6
151.11182	69.9
152.06206	1.3
155.08641	1.9
157.10141	2.9
159.04416	8.9
159.11707	5.2
161.01172	1.6
161.02261	6.5
161.06055	2.0
161.09639	5.2
161.13319	2.3
163.03891	10.1
163.11159	1.8
165.09106	2.1
165.12767	4.4
166.93381	1.3
167.10683	2.4
169.10130	2.4
171.11742	1.7
173.02374	14.2
173.06050	3.1
173.09650	1.4
173.11778	5.3
173.13312	3.5
175.11154	2.0
177.12759	15.0
183.04407	2.9
183.11674	1.5
185.05917	1.4
187.03911	15.8
187.11189	2.4
187.14833	1.5
189.05580	2.0
191.14336	4.9
197.05997	2.0
199.03889	1.5
201.05537	2.2
201.16515	2.0
211.11121	1.5
213.05481	2.0
219.13792	2.4
224.08057	4.0
224.62433	1.4
225.75894	1.5
229.19572	1.5
243.10368	1.9
243.13763	1.5
247.20508	2.7
257.11691	20.2
257.18985	5.0
267.13922	2.3
271.13110	1.7
275.20065	17.3
276.20831	1.9
281.11731	5.6
285.14816	2.3
293.21103	100.0
294.21741	2.6
299.12738	1.6
309.86020	1.3
315.16205	1.7
419.22195	4.6
437.23080	7.0
437.34326	2.1
441.08304	1.5
455.24496	3.3
455.35031	4.8
473.14111	1.7
473.25439	4.4
473.36710	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	473.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01864	4.2
55.05511	15.7
56.55820	1.5
56.96558	1.9
57.03423	2.0
57.07059	5.1
58.37368	1.7
65.03925	3.5
66.81924	1.3
67.05505	30.6
69.03432	2.5
69.07067	10.4
70.56747	4.0
71.04983	3.8
71.08636	10.6
79.05495	19.0
81.03009	1.6
81.03426	17.3
81.07053	18.9
83.04977	6.9
83.08601	4.5
85.02888	1.9
85.06535	3.4
91.05490	15.4
93.07036	17.6
94.93027	1.4
95.04961	18.2
95.08604	33.2
97.02905	2.0
97.06526	2.8
97.10150	6.1
99.08079	10.0
103.05468	2.5
105.07034	9.7
107.04932	7.0
107.08581	12.2
109.06534	3.7
109.10157	19.0
111.08078	2.7
113.06001	1.8
117.07003	4.6
119.08560	11.4
120.09454	1.5
121.06525	1.9
121.10143	12.3
123.04404	2.0
123.08057	6.5
123.11698	2.8
125.09624	3.3
128.06212	1.4
129.06979	1.4
131.04907	2.1
131.08562	7.4
131.67433	1.3
133.10112	9.8
135.04428	1.8
135.08011	4.6
135.11667	7.0
137.09566	4.4
139.11169	11.5
141.09111	3.1
143.08614	3.1
145.06483	3.4
145.10095	4.9
147.08017	2.7
147.11652	6.6
149.02356	3.2
149.09590	3.9
149.13274	3.5
151.07545	1.5
151.11174	73.7
155.08549	2.4
155.10651	1.6
157.10201	1.8
159.04411	11.8
159.11728	7.7
161.02315	6.4
161.05992	1.7
161.09622	4.2
163.03871	11.0
163.11172	3.7
165.09090	3.0
165.12759	5.5
169.06631	1.4
169.10120	1.6
171.11679	1.7
173.02338	15.1
173.05994	4.6
173.11719	6.4
173.13219	4.1
175.11191	2.0
175.14806	1.9
177.12726	14.4
181.12137	1.7
183.04413	3.1
183.11699	2.7
185.05910	2.0
187.03908	18.4
187.14835	1.6
191.14326	5.4
197.05983	2.8
197.13229	1.6
199.03864	2.7
201.05501	3.2
201.09116	1.5
201.12775	2.1
203.17946	1.6
211.14601	1.6
213.05461	2.4
219.13734	4.2
224.08054	4.3
229.19647	1.8
247.20503	2.0
257.11728	18.0
257.18924	3.7
263.12854	2.1
267.13876	1.6
271.13177	1.7
275.20001	17.9
276.20987	3.1
281.11639	4.1
285.14737	3.6
293.21100	100.0
294.21826	2.5
299.12802	3.5
299.20020	1.6
330.38092	1.7
409.23251	1.6
413.26721	2.1
419.22186	4.0
437.23120	4.7
437.34207	4.0
455.24509	3.1
455.35001	5.3
473.14761	2.6
473.25006	5.5
473.36670	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	473.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25737	3.0
53.03946	7.1
55.01867	14.1
55.05507	30.7
56.96542	3.3
57.03433	5.8
57.07072	6.2
57.82923	2.5
65.03935	5.1
67.05503	100.0
69.03419	5.6
69.07068	27.4
70.84264	8.4
71.04971	7.2
71.08620	19.7
73.28847	2.9
79.05495	38.3
81.03419	23.1
81.07053	60.9
83.04968	12.0
83.08604	9.2
85.06537	5.7
91.05473	43.1
93.07042	50.5
95.04960	31.6
95.08605	91.0
97.06522	9.5
97.10157	12.0
99.08062	17.5
103.05444	3.8
105.07032	28.4
107.04944	14.1
107.08582	25.7
109.06506	13.1
109.10146	47.7
111.08057	5.5
115.05454	4.1
117.07036	19.1
119.04905	4.9
119.08573	34.4
121.06502	7.5
121.10137	31.4
123.08067	26.3
123.11694	6.7
123.32786	2.8
125.09611	5.5
128.06216	3.3
129.06981	10.7
131.04846	4.8
131.08553	17.6
133.02840	6.4
133.06523	7.4
133.10132	31.6
135.04468	3.0
135.08014	7.1
135.11668	10.5
137.09613	23.7
139.11143	10.5
139.83450	3.2
141.06943	8.0
141.09091	3.5
143.04933	3.1
143.08542	12.0
145.02901	2.8
145.06503	7.3
145.10110	12.1
147.04443	5.7
147.08104	6.6
147.11632	8.1
148.08842	5.5
149.02321	5.2
149.09634	9.2
149.13292	3.5
151.07544	6.3
151.11171	77.2
153.12761	4.0
155.08546	5.9
155.10725	4.0
157.06462	3.8
157.10129	7.0
159.04410	19.2
159.07970	4.2
159.11699	10.4
161.02324	12.4
161.05826	3.9
161.09648	19.8
161.13231	4.4
163.03888	66.8
163.05261	3.5
163.11133	7.6
165.05499	3.6
165.09152	3.6
165.12738	12.3
167.10661	6.6
169.10150	7.8
171.04294	5.5
171.11664	3.9
173.02354	35.7
173.05977	11.1
173.11723	7.7
173.13248	12.5
175.03917	14.6
175.07458	3.1
175.11154	3.7
177.12679	15.2
179.10681	11.2
179.14241	3.1
183.04480	4.7
183.11667	2.8
185.05943	7.3
187.03905	36.6
187.11166	6.4
189.05441	9.6
189.11296	3.6
191.14351	10.2
193.12193	4.5
195.08063	3.9
197.05927	7.7
199.03925	12.9
201.05482	7.5
201.12758	14.6
203.17996	3.3
205.12149	4.0
205.15759	3.6
213.05450	38.8
215.07080	5.3
229.19514	11.9
243.10199	15.9
247.20607	10.0
255.10135	9.0
257.11703	26.6
257.18893	16.1
259.20538	4.4
267.13834	7.3
269.11801	14.3
271.13324	13.7
275.20056	67.7
285.14810	6.9
293.21060	78.0
299.12805	7.6
313.14359	18.9
315.16040	7.6
331.15567	6.2
373.21844	4.5
381.20380	6.9
391.22620	5.3
401.21082	8.9
409.23700	8.4
419.22141	93.9
437.23203	49.3
437.33405	5.8
455.23965	18.2
455.34845	3.9
473.13953	5.5
473.24921	4.8
473.36499	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	473.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01863	0.3
55.05512	7.4
56.96552	0.5
57.03427	0.6
57.07050	0.5
59.05017	0.3
61.02928	0.3
65.03944	0.3
67.05506	5.0
69.03422	1.7
69.07069	3.7
70.04091	0.3
70.06586	0.6
70.36906	0.8
71.04990	0.3
71.08616	0.3
72.08175	0.3
73.02916	0.3
74.28465	0.3
79.05492	2.6
81.03422	0.7
81.07067	4.7
83.04978	1.0
83.08613	1.2
85.02919	1.2
85.06520	0.7
86.09689	1.0
87.04475	0.2
87.08080	0.3
91.05486	2.4
93.07044	3.4
95.04975	1.6
95.08606	4.0
97.02902	0.7
97.06538	3.4
97.10171	15.8
99.04464	0.5
105.07033	2.5
107.04945	1.0
107.08592	2.5
109.06517	0.9
109.10162	7.5
111.04401	0.2
111.08070	0.4
111.11691	0.3
117.03368	0.3
117.07004	0.7
119.04983	0.4
119.08586	5.0
121.06451	0.7
121.10155	2.1
122.07289	2.1
123.08065	0.7
123.11729	1.4
124.03973	0.8
125.09628	3.4
131.08568	1.0
133.10147	1.5
135.04427	0.7
135.08069	0.8
135.11745	1.4
137.05913	0.3
137.09621	13.5
137.13185	0.4
139.03952	0.5
139.07538	0.3
139.11189	0.8
143.08577	0.3
143.10681	7.3
145.06483	0.7
145.10150	0.8
147.04405	0.3
147.08038	0.5
147.11656	1.0
149.07420	0.9
149.09624	3.3
149.13255	1.0
151.07520	0.6
151.11136	0.4
153.05504	0.4
153.09123	0.7
157.10129	0.6
157.12207	0.6
159.11659	0.8
160.08791	0.4
161.05986	0.4
161.09619	0.7
161.13234	0.6
163.03938	1.6
163.07549	1.0
163.11243	0.4
165.09114	100.0
166.09462	1.5
167.07005	0.5
169.10146	0.4
171.10236	0.4
171.11696	0.3
173.02357	0.7
173.09627	0.5
173.13228	0.5
175.11194	1.1
175.14859	0.3
177.09181	0.5
177.12730	0.4
179.10635	1.1
180.13853	0.7
181.04942	0.5
184.13260	0.4
185.15927	0.2
187.11134	0.4
187.14789	0.7
189.09094	0.9
189.11197	2.0
189.12668	0.5
191.10661	0.9
192.13817	0.5
197.04338	0.6
203.10686	3.8
203.14337	0.4
205.12256	2.7
207.10121	0.9
211.15033	0.3
213.12863	0.3
215.05266	1.5
215.07086	1.0
217.12103	0.4
232.13344	0.4
259.09711	1.1
277.21671	0.4
285.10098	0.4
285.22141	0.5
291.23209	1.1
294.16998	1.1
299.08801	1.3
303.23117	1.7
312.18082	1.0
316.28506	0.3
321.24286	2.7
362.42841	0.3
381.20364	0.4
427.13556	0.5
455.12988	2.1
455.31564	2.2
456.13397	0.6
473.14154	18.8
473.25369	0.8
473.32639	1.0
474.14700	2.2
474.23257	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	473.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01858	0.7
55.05513	7.6
56.96569	0.4
57.03436	0.6
60.31480	0.2
61.02909	0.3
67.05197	0.4
67.05514	4.5
69.03426	1.4
69.07069	3.9
69.62685	1.3
69.63095	0.4
71.04977	0.5
77.03920	0.2
79.05497	2.0
81.03416	0.6
81.07055	4.6
82.02901	0.2
83.04982	1.6
83.08598	0.9
84.08133	0.4
85.02914	1.6
85.06523	0.6
85.29745	0.3
86.09681	0.8
91.05497	1.6
93.07057	2.7
95.04945	0.9
95.08604	3.7
97.02901	0.8
97.06542	3.6
97.10172	15.1
103.05447	0.3
105.07023	2.7
107.04961	0.9
107.08588	2.9
109.02869	0.3
109.06512	0.9
109.10162	6.5
110.10423	0.3
111.08055	0.3
111.11692	0.2
117.07036	0.6
119.08584	3.9
121.06493	0.9
121.10163	2.3
122.07307	2.1
123.08049	1.0
123.11696	1.6
124.03957	0.6
125.09638	3.0
127.11204	0.4
131.08574	0.7
133.06461	0.3
133.10158	1.3
135.04422	0.9
135.08028	0.8
135.11687	0.9
137.05991	0.4
137.09619	12.5
139.03897	0.4
139.07584	0.3
139.11177	0.9
143.08597	0.4
143.10684	6.8
145.06470	0.6
145.10097	0.8
147.08083	0.5
147.11664	1.3
149.06003	0.4
149.07373	0.4
149.09610	2.9
149.13249	0.7
151.07545	0.6
157.08659	0.3
157.10132	0.6
157.12198	0.4
159.08073	0.5
159.11693	1.1
161.02406	0.5
161.09497	0.4
161.13258	0.8
163.03918	1.0
163.07545	0.9
163.11130	0.4
163.14751	0.3
165.09116	100.0
166.09442	1.9
167.06964	0.3
171.10179	0.5
173.02356	0.5
173.09538	0.3
173.13271	0.4
175.07530	0.5
175.11214	0.8
175.14772	0.3
177.09111	0.9
177.12730	0.3
179.10710	0.8
180.13826	0.6
181.04976	0.3
187.11237	0.6
187.14830	0.4
188.08432	0.3
188.12271	0.3
189.09296	0.5
189.11224	2.3
189.12766	0.8
191.10670	0.9
195.08046	0.4
197.04237	0.4
201.12793	0.5
201.16362	0.3
203.10699	3.7
203.14288	0.6
205.12198	2.3
205.13837	0.3
207.10219	0.9
213.12881	0.4
215.05272	1.5
215.07098	0.8
259.09732	0.8
275.23703	0.3
277.21716	0.4
285.22144	0.3
287.20212	0.3
291.23184	0.9
294.17023	0.6
297.17813	0.3
299.08878	1.8
303.23187	2.0
309.24268	0.3
312.17966	0.9
321.24191	3.3
329.21063	0.3
335.18475	0.3
381.20361	0.4
427.13730	0.8
437.30957	0.4
449.02359	0.3
455.12799	1.7
455.31497	2.3
473.14185	17.9
473.20432	0.8
473.32639	0.8
474.14636	2.3
474.23282	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	473.3625
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
55.05517	9.6
55.05742	2.1
57.07056	3.6
67.05502	11.1
69.03428	3.2
69.07051	9.9
69.19254	22.8
71.08617	4.0
78.27925	2.0
79.05494	5.1
81.07054	14.6
81.42845	1.7
83.04973	2.8
83.08610	6.8
91.05484	8.8
93.07042	13.2
95.08598	29.1
97.02867	2.3
97.10173	4.2
105.07039	12.3
107.08588	25.2
109.06493	3.1
109.10138	14.8
110.97630	1.8
119.08583	18.1
121.10126	14.9
123.08069	6.1
123.11706	8.0
125.09657	2.5
128.06247	2.2
131.08571	8.7
133.10136	16.9
135.11702	14.0
137.13271	4.6
139.11229	2.1
143.08539	2.6
145.10152	11.5
147.11667	13.4
149.09587	2.5
149.13269	7.3
159.11722	7.8
161.09659	2.2
161.13243	8.1
163.14809	5.3
171.11630	2.5
171.23021	1.9
173.13313	6.2
175.14861	7.8
177.16408	4.6
179.14351	2.3
187.11282	2.1
187.14815	10.1
189.16377	16.8
191.17911	5.4
199.14970	3.4
201.16365	15.7
203.17921	11.0
205.15897	6.9
207.17462	17.8
213.16426	2.6
215.17896	3.7
219.17368	2.8
229.19608	2.5
243.21008	3.1
247.17000	9.2
255.21100	7.3
259.08505	2.7
269.22720	2.4
301.21579	3.1
315.23096	3.5
331.26334	2.1
341.76755	2.3
357.27966	2.4
391.33636	2.6
409.34634	6.6
427.35770	100.0
428.36444	2.4
437.34470	9.7
455.35272	10.3
473.34579	89.8
474.34909	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	473.3628
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
50.27601	0.9
55.01873	1.4
55.05511	10.9
55.35073	1.2
57.07073	3.9
65.03928	1.3
67.05505	12.1
69.03427	3.1
69.07066	14.5
70.46677	3.8
71.04987	2.1
79.05482	8.6
81.03433	1.8
81.07056	23.7
83.04986	3.1
83.08596	6.3
85.06548	2.0
91.05486	11.3
93.07046	19.5
95.04985	4.2
95.08607	32.9
96.66578	1.1
97.06530	4.0
97.10172	3.6
105.07027	19.5
105.27374	1.4
107.04942	2.0
107.08594	28.1
109.06520	4.4
109.10155	15.5
111.04440	2.0
111.08070	2.1
111.11800	1.3
116.06099	1.1
117.07024	3.0
119.08583	26.9
121.06547	5.0
121.10136	24.9
123.08087	2.8
123.11700	13.1
125.09680	2.8
128.06244	1.6
129.07007	2.6
131.08543	7.3
133.10115	19.8
135.08044	6.4
135.11696	15.5
137.09615	2.6
137.13266	9.9
139.11206	2.4
142.07831	1.7
143.08594	6.2
145.10117	20.6
147.08002	5.7
147.11682	14.3
149.02376	2.2
149.09636	6.4
149.13269	9.7
151.11203	2.8
151.14809	1.7
155.08606	2.2
156.09340	2.4
157.10141	8.4
159.08078	1.6
159.11697	9.9
161.09634	4.2
161.13255	9.5
162.10266	1.4
163.07533	1.2
163.11179	3.7
163.14848	5.5
165.09169	2.4
165.12782	2.1
169.10138	4.7
171.11658	6.9
173.09636	4.9
173.13246	8.4
175.11211	3.4
175.14857	5.7
177.12796	2.4
177.16443	3.2
179.14299	2.0
181.10225	1.5
183.11743	5.2
184.12408	1.5
185.09744	2.9
185.13303	5.7
187.11198	3.9
187.14793	8.6
189.12791	2.7
189.16415	7.4
191.14374	2.2
193.10141	1.8
195.11720	3.0
197.13327	4.0
199.11145	2.4
199.14825	4.1
201.12767	4.5
201.16360	3.0
203.17970	3.9
205.15891	2.3
207.11745	2.0
209.13274	3.2
210.14069	1.9
211.14896	4.6
213.12822	4.0
213.16466	2.0
215.14410	2.5
215.17973	2.7
219.13832	7.8
223.14848	2.5
225.12798	1.4
225.16380	4.3
227.14436	2.1
227.17950	2.7
229.16083	1.7
231.17418	1.7
233.15414	2.0
237.16376	1.5
239.17998	3.0
241.15880	1.9
241.19637	1.7
243.17593	1.4
249.18694	1.4
251.16353	19.0
253.19508	2.1
255.17357	1.6
255.21085	2.5
257.19128	3.1
265.19571	1.6
267.17358	1.2
267.20895	1.5
269.19089	2.8
269.22339	1.1
273.22061	1.5
275.20087	12.8
277.18143	1.7
279.21069	1.8
281.19235	1.7
283.20505	3.6
287.20044	1.8
301.21686	2.3
305.21176	3.3
315.23553	1.7
321.22272	2.1
333.24631	1.6
369.27814	1.4
377.31845	1.4
379.30197	1.3
381.20700	1.9
393.31363	1.3
401.32071	3.3
413.34155	4.5
419.33093	9.2
437.34207	26.0
455.35236	100.0
456.35437	1.5
473.25214	4.0
473.36313	90.9
474.36810	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	473.3626
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03936	3.4
55.05510	15.2
57.07069	4.7
67.05502	35.4
69.03426	3.9
69.07075	27.6
70.80760	2.9
71.04993	5.0
71.08643	4.3
71.50070	4.0
75.64712	3.2
79.05492	21.8
81.03429	5.4
81.07054	45.8
83.04984	8.1
83.08632	12.5
85.06540	5.3
91.05470	29.2
93.07037	50.2
95.04962	13.9
95.08601	51.6
97.06540	10.3
97.10168	9.1
99.08102	3.9
105.07027	41.5
107.04959	7.7
107.08585	56.2
109.06526	11.2
109.10162	38.7
111.08081	7.8
117.06997	11.1
119.04963	3.3
119.08577	58.2
121.06490	5.2
121.10146	43.9
121.10953	4.2
123.08089	6.9
123.11699	21.7
125.09618	7.9
127.11148	3.7
128.06146	4.7
129.07011	5.6
131.08566	22.8
133.10109	31.5
135.08054	6.7
135.11676	33.7
137.09647	6.6
137.13278	6.3
139.11160	6.0
143.08578	19.8
145.06499	5.2
145.10127	30.9
147.04463	3.7
147.08081	7.8
147.11696	19.5
149.02364	5.6
149.09631	5.5
149.13289	11.9
151.07526	3.6
151.11201	13.5
151.14761	3.3
154.07742	2.8
155.08519	8.3
157.10144	27.4
159.11742	26.6
161.09634	7.9
161.13292	16.1
163.03931	8.1
163.11148	5.7
163.14859	10.6
165.12842	6.1
167.08507	4.0
169.10130	13.7
169.12238	3.9
170.10767	3.4
171.11684	15.7
173.02353	4.0
173.09615	4.4
173.11993	3.2
173.13232	17.5
175.11220	6.1
175.14845	22.6
177.12715	3.7
177.16432	10.7
179.14299	10.1
183.11700	12.7
185.13249	14.7
187.03903	5.4
187.14838	17.8
189.09145	3.4
189.16443	14.9
191.18083	5.4
191.56612	2.7
193.15982	4.0
195.11685	3.0
197.13289	11.7
197.15208	3.7
199.14825	8.8
201.16345	7.1
203.14218	5.5
203.17992	6.1
205.15930	5.6
207.17349	3.9
209.13300	8.4
211.14874	8.8
213.16446	11.1
215.17923	6.5
219.17488	3.5
223.14824	6.6
225.16364	9.7
227.17944	9.8
229.19455	4.2
239.17909	7.8
241.19540	6.5
243.17491	5.7
245.18968	4.7
247.16988	9.2
251.18065	7.9
253.19534	17.4
257.11868	6.1
257.19257	4.1
259.20694	3.8
267.20984	5.4
269.22504	3.0
271.20605	12.6
278.10217	3.6
279.20911	4.1
281.19321	3.5
283.20486	6.6
285.22156	3.1
297.22064	4.0
301.21747	4.3
305.22488	3.9
323.23676	6.4
381.20633	3.8
389.32043	8.9
400.19937	3.1
401.31955	4.4
407.33105	11.7
419.22083	5.1
419.33316	24.0
425.34073	17.6
437.23267	8.1
437.34158	42.6
455.35217	50.3
473.25476	8.2
473.36356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3624
Annotation	16-Oxolycoclavanol
Peak:m/z	Relative Intensity
53.03943	1.5
55.05509	12.5
55.17308	1.5
57.07068	8.7
59.04990	1.5
59.87619	1.5
60.82314	1.4
64.94491	1.3
67.05504	14.4
67.73277	1.5
69.07063	21.9
69.62378	7.5
69.62785	3.6
79.05482	14.7
81.03468	3.6
81.07056	44.3
83.04982	3.0
83.08622	12.2
91.05482	17.7
93.07042	27.8
95.04977	6.1
95.07995	3.2
95.08603	66.2
97.06501	1.8
97.10182	5.5
98.20857	2.5
99.08071	2.1
105.07024	24.1
107.08590	63.9
109.06516	7.1
109.10154	29.6
111.08025	4.1
111.11722	2.9
112.64870	1.4
117.06998	4.9
119.08578	42.3
119.09403	3.0
121.06522	5.8
121.10145	70.4
123.08041	12.2
123.11699	37.1
125.09644	4.5
125.89226	1.5
128.06178	2.0
129.06999	2.9
131.08562	17.8
133.06473	2.3
133.10121	26.4
135.08064	6.6
135.11681	15.1
137.09636	6.1
137.13251	34.9
139.11163	11.9
143.08578	5.5
143.32390	1.6
145.10159	13.0
147.08026	5.5
147.11678	17.9
149.09642	5.7
149.12064	3.1
149.13258	55.7
149.43657	1.5
151.11198	4.8
151.14766	10.0
155.08554	4.6
157.10103	15.7
159.08038	4.1
159.11697	10.6
161.09599	3.0
161.13242	12.1
163.11217	1.7
163.14816	4.1
165.12761	13.0
167.14325	8.5
169.10144	6.8
170.10878	2.1
171.11716	14.0
173.09624	6.0
173.13263	9.4
175.11208	5.6
175.14795	4.2
177.12790	2.0
177.16385	17.1
179.14311	11.2
181.10069	2.1
182.10870	1.8
183.11702	6.1
183.15703	1.5
185.09680	3.5
185.13281	9.7
187.11142	3.4
187.14865	4.7
189.09250	2.0
189.12839	2.7
189.16383	5.2
191.14262	2.5
193.10103	1.8
193.15915	6.0
194.10962	1.8
195.11694	5.1
197.13260	6.2
199.11198	7.8
199.14861	5.3
201.12747	5.2
201.16428	2.3
203.14310	3.3
203.17970	6.1
209.13185	7.2
211.11263	2.5
211.14867	6.7
213.12790	5.5
213.16522	1.8
223.14796	4.9
225.12766	2.9
225.16441	4.7
226.17024	1.5
227.14317	3.6
227.17952	5.0
237.16336	1.8
239.17958	7.6
241.16037	2.1
241.19530	3.8
243.17575	2.6
245.19104	2.4
248.37743	1.8
251.17979	3.8
253.19614	3.7
255.17586	2.6
255.21066	3.8
257.19016	3.2
267.17444	6.7
267.20889	2.1
269.19022	9.8
269.22693	5.6
271.20590	3.2
279.20935	3.5
281.19211	2.4
281.22678	5.9
283.20596	13.2
285.18561	8.1
286.94345	1.6
287.20090	30.6
289.21573	3.6
295.20709	2.9
297.22153	17.4
299.20123	7.4
299.23727	3.9
301.21628	6.9
303.19601	1.7
305.21204	5.5
313.21506	3.3
315.23163	4.4
317.21320	2.1
317.24896	4.0
333.24298	5.3
335.01199	1.7
377.32034	2.4
379.29645	2.4
401.32074	3.5
409.34845	1.9
419.33099	28.2
437.34152	82.0
438.34497	4.3
455.35193	100.0
456.35272	3.2
473.36325	20.7
474.36740	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	473.3627
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
55.01874	1.6
55.05508	8.1
57.07066	4.4
58.33431	1.0
67.05506	12.4
69.03440	1.8
69.07073	13.4
69.76256	4.1
69.76659	2.0
71.08626	2.0
79.05497	7.8
81.03413	1.5
81.07053	20.4
83.04972	8.9
83.08623	7.6
85.06525	2.4
87.96459	1.1
90.59341	1.0
91.05482	9.1
93.03401	2.0
93.06512	1.3
93.07051	16.0
95.04984	6.0
95.08609	29.5
97.02897	1.3
97.06528	3.8
97.10173	3.7
99.08082	1.6
103.05421	1.8
105.07037	23.6
107.04971	2.3
107.08594	24.1
109.06536	6.4
109.10169	14.0
111.04450	28.8
111.08104	1.9
117.07035	3.6
119.08587	22.0
121.06504	11.0
121.10146	29.0
123.08095	2.5
123.11712	10.7
125.05980	1.4
125.09624	2.1
129.06995	1.8
130.07715	1.4
131.08582	6.0
133.10118	19.7
135.08051	13.8
135.11673	12.2
137.05957	2.7
137.09639	4.5
137.13228	8.9
139.11218	4.8
141.28896	1.2
142.07866	1.2
143.08554	4.2
145.10117	14.6
147.08083	2.8
147.11679	19.4
149.06082	2.1
149.09608	3.8
149.13272	6.4
151.11176	3.7
151.14833	1.9
155.08632	1.2
157.10167	6.6
159.08080	2.1
159.11673	9.0
161.09637	4.7
161.13242	7.6
163.11205	4.1
163.14850	4.4
165.09123	2.3
165.12764	4.8
169.10088	2.8
171.07924	1.3
171.11734	5.0
173.09651	2.8
173.13278	6.7
175.11188	2.2
175.14832	2.3
177.12813	1.7
177.16428	3.1
183.11728	1.7
183.13733	1.9
185.09616	2.3
185.13326	3.1
187.11217	2.7
187.14847	7.6
189.12843	2.6
189.16383	20.6
190.96368	1.3
191.14330	2.5
193.12137	1.2
197.13297	1.8
199.11208	1.7
199.14879	2.4
200.20135	3.4
201.12804	1.7
201.16440	4.1
203.14267	1.9
203.17952	7.4
205.15918	3.4
207.17439	1.6
211.14813	2.0
213.12907	1.2
213.16470	3.8
215.14326	3.0
215.17929	1.4
217.15852	1.5
223.14958	1.3
227.14462	2.8
231.17450	3.0
233.15428	1.9
235.16821	1.9
237.16338	1.7
239.14316	1.2
241.19688	1.7
249.18564	4.5
251.16368	19.0
255.17377	1.3
255.21100	3.5
257.19086	1.4
261.18713	1.4
273.22253	6.1
279.21042	2.1
283.20657	1.5
287.20230	1.4
287.23709	1.4
297.22186	8.9
311.61121	1.4
315.23166	8.5
319.22598	2.5
333.24139	16.4
341.24924	2.1
353.24725	1.4
381.20474	1.6
419.33136	3.6
437.34238	14.6
455.30057	1.4
455.35379	13.4
473.36313	100.0
474.36630	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	473.3628
Annotation	Hispidone
Peak:m/z	Relative Intensity
53.03945	0.8
55.01867	1.2
55.05510	3.3
56.96567	0.9
57.07068	1.0
67.05513	5.8
67.15036	0.6
67.66949	0.6
69.03439	0.6
69.07076	4.8
69.53194	4.3
71.08616	1.1
79.05499	4.1
79.92206	0.5
81.03411	1.4
81.07062	9.2
83.04955	0.8
83.08620	2.3
88.64162	0.5
91.05483	3.6
93.07043	6.9
95.05004	2.8
95.08608	13.9
97.06542	0.9
97.10172	1.9
98.20808	0.8
99.08117	1.1
105.07038	4.8
107.04969	1.0
107.08594	7.9
109.06516	1.3
109.10146	7.4
111.08131	0.6
117.07030	1.1
119.08581	6.4
121.06509	2.5
121.10157	7.3
123.08061	1.9
123.11721	3.4
124.88087	0.7
125.09699	0.9
131.08575	2.5
132.46869	0.6
133.02904	0.6
133.06479	1.1
133.10129	5.3
135.08055	2.3
135.11699	4.2
137.09589	2.5
137.13266	2.4
139.11177	0.7
143.08540	1.5
145.10117	4.3
147.04398	0.6
147.08052	1.2
147.11661	3.8
149.09662	2.1
149.13264	2.2
151.11172	5.3
156.09322	0.9
157.10130	1.6
159.11726	3.7
161.09628	1.9
161.13301	2.1
163.11192	1.9
163.14862	2.1
165.09062	0.7
171.11742	1.9
173.02348	0.7
173.09668	1.6
173.13300	1.4
175.11194	1.2
175.14972	1.0
183.11737	0.9
185.13303	1.6
187.03951	0.7
187.11227	1.0
187.14868	2.0
189.16360	1.6
191.10640	0.7
195.11827	0.7
197.13293	0.8
199.14912	0.8
200.12086	0.7
201.12724	1.1
201.16464	1.1
203.17990	1.6
209.13127	0.6
213.12758	0.9
215.14281	1.1
215.18146	0.9
219.17410	0.6
221.15480	0.6
225.16312	0.6
283.24640	0.5
293.21198	2.1
294.21957	0.8
303.23138	0.7
346.13254	0.7
351.18491	0.7
369.19348	0.8
429.11105	0.8
429.22281	0.7
437.23459	1.0
437.33945	2.8
455.35355	5.6
473.25342	3.2
473.36298	100.0
474.36539	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	473.3625
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03941	4.4
55.05503	14.2
57.07074	9.2
57.64056	3.3
62.97242	2.9
67.05502	27.3
68.98083	3.2
69.03436	5.0
69.07067	22.6
71.04989	3.9
71.49640	3.4
71.50053	4.1
77.23782	3.1
79.05498	14.2
81.03416	3.7
81.07057	45.0
83.04979	12.0
83.08620	14.8
91.05493	15.0
93.07046	22.2
95.08601	57.7
97.10162	5.0
105.07018	33.0
107.08576	35.5
109.06528	10.3
109.10160	42.2
111.04442	41.0
117.07035	4.7
119.08596	41.9
121.06509	25.0
121.10139	66.3
123.04455	4.1
123.08077	6.9
123.11726	21.0
125.09644	4.0
128.06239	3.3
129.06970	4.1
131.08575	7.0
133.10156	28.6
135.08058	24.0
135.11693	25.4
136.67880	3.5
137.06039	7.2
137.09639	6.0
137.13266	28.2
139.11172	8.3
143.08591	5.6
145.10112	16.6
147.11700	22.4
149.06010	12.7
149.09625	8.5
149.13263	10.8
151.14856	7.5
157.10097	8.6
159.08151	5.5
159.11697	15.4
161.09653	7.9
161.13222	10.4
163.07582	4.0
163.11169	6.7
163.14764	7.1
165.09076	5.2
165.12781	5.3
169.10118	5.6
171.11684	5.9
173.13226	8.2
175.14879	7.1
177.16391	5.0
179.17891	4.0
183.11760	4.2
185.09685	4.4
185.13263	6.7
187.11203	6.3
187.14832	8.0
189.16405	20.1
197.13326	3.7
199.11177	4.3
199.14885	4.8
199.22261	3.5
200.20132	8.7
201.12697	3.5
203.18024	5.6
213.16351	5.9
215.14447	4.0
223.14870	3.7
225.16422	5.1
227.14314	6.0
239.17973	5.0
249.18605	6.5
251.16376	4.0
255.20984	7.4
256.26453	12.5
257.19025	4.9
265.19836	3.4
273.18530	4.1
273.22018	9.5
275.20026	11.5
277.17950	39.9
283.20670	6.0
289.18005	11.1
297.22183	5.7
300.59280	3.7
301.21762	3.9
303.19614	23.1
315.23099	11.5
319.22833	4.7
333.24142	19.5
419.33182	9.3
437.34256	19.4
455.35278	58.4
473.36282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05498	2.2
56.96564	1.5
57.03426	1.1
58.99590	4.8
60.04528	1.4
61.02913	1.0
67.05489	2.0
69.03426	2.3
69.05800	0.6
69.07050	2.2
70.06603	3.7
71.04990	0.9
71.49429	0.7
72.08156	0.9
73.02903	1.3
79.05494	2.9
80.05023	1.1
81.03418	1.7
81.07066	3.2
83.08624	1.3
84.04510	1.1
84.98437	0.6
85.01116	2.7
85.02906	4.3
85.03365	0.8
86.00651	16.4
86.09712	3.2
86.99055	5.6
88.02224	0.7
91.05468	3.4
92.96550	0.6
93.07035	2.7
95.04967	4.6
95.08585	1.3
96.04493	3.3
97.02908	3.4
97.06532	2.6
98.97581	1.9
100.02240	1.0
102.03734	2.8
103.05476	1.7
105.07037	3.4
106.06539	3.1
107.04947	1.9
107.08610	1.7
108.08098	0.7
109.02891	1.2
109.10149	1.0
116.98607	1.2
117.07018	1.1
119.01670	3.7
119.02386	0.5
119.08584	7.7
120.08098	1.2
120.08898	0.7
121.06522	1.2
121.10153	1.1
123.04430	0.8
123.08065	0.9
123.11670	2.8
124.03949	100.0
125.04298	1.0
126.05492	1.0
127.03957	1.3
129.16028	0.7
130.06474	0.8
131.08504	0.7
131.15138	0.5
133.10129	3.2
135.04425	1.4
137.05968	1.7
140.03358	3.7
145.05002	0.8
145.10088	5.1
146.02695	6.3
146.99629	0.9
147.11620	0.7
148.07581	1.3
149.02335	1.9
149.05981	2.4
150.02698	1.1
151.03925	4.8
151.07585	1.3
153.05457	1.0
154.03142	1.6
157.10188	0.7
158.45224	0.6
159.11696	0.8
164.05342	0.8
165.09074	2.8
166.09586	0.8
175.14850	2.1
176.07056	1.0
181.04903	0.7
182.02698	17.4
184.04218	3.2
197.01167	1.2
206.06268	0.6
210.02187	1.0
214.05360	1.0
219.10332	0.9
222.08089	0.6
224.07401	5.1
234.05804	2.9
237.02771	1.3
242.04814	27.6
244.06429	0.9
252.06886	28.4
280.06375	7.7
294.07953	2.5
296.17752	0.7
297.10040	0.7
312.08987	77.3
313.09378	2.0
318.94305	0.6
324.17001	3.0
340.23349	0.5
387.20242	3.9
401.12741	0.7
427.19867	0.9
431.13898	1.6
474.13721	3.1
474.23706	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	474.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
54.16939	0.9
55.01875	1.6
56.96544	2.1
57.03419	4.7
61.02926	5.5
66.65482	1.0
67.05492	1.9
68.05009	1.0
68.13609	1.1
69.03429	30.8
69.07066	1.9
70.06587	8.9
71.01366	1.0
71.04973	3.0
71.10129	1.9
72.04532	1.3
72.08159	8.4
73.02907	2.7
79.05480	4.5
80.05011	2.3
81.03412	8.7
81.07049	1.9
82.06552	2.3
83.05009	1.1
84.04497	4.0
84.08136	10.7
85.02904	33.6
86.06075	15.0
86.09707	12.8
86.61754	1.0
87.04468	13.6
91.03941	1.6
91.05473	4.7
93.07072	1.3
95.04964	11.8
95.08585	1.2
97.02891	17.2
97.06527	1.3
98.06060	2.4
98.97585	2.3
99.04442	1.7
100.07623	11.2
101.07156	1.6
103.05450	2.4
105.07005	2.2
106.06539	3.8
107.02318	1.0
107.04959	5.8
108.08053	2.1
109.02850	4.5
110.06057	1.0
112.07601	2.6
114.05527	40.6
115.05506	1.4
116.98606	1.2
117.07047	1.7
119.59499	1.1
120.08091	2.9
121.06509	5.3
121.10163	1.2
123.04444	2.0
124.03952	17.0
125.02352	4.1
125.06013	1.1
126.09187	2.4
127.03900	7.8
128.07077	3.8
129.10219	4.5
130.04985	2.0
130.08646	1.4
133.06532	1.5
134.06000	1.3
134.09676	2.0
135.04419	2.6
136.07553	4.4
137.05908	1.2
138.05478	2.6
139.03912	2.3
140.07047	2.8
141.50076	1.2
145.04982	7.3
146.09660	1.3
147.04398	2.1
147.07680	1.5
147.10472	1.0
148.07556	3.9
149.06012	5.7
150.09122	2.8
151.03922	7.9
153.05455	2.1
161.06000	2.7
162.09232	1.6
163.03856	1.9
164.07047	5.0
164.10667	1.1
165.05475	1.8
166.05011	1.2
166.08640	12.8
167.05351	1.0
167.07045	3.6
167.60866	1.2
173.05983	1.5
176.07138	1.3
177.05426	1.7
178.08647	2.5
179.07083	1.3
179.43781	1.2
180.06566	1.8
180.10114	1.3
189.05478	1.3
190.08621	6.0
192.06508	8.0
192.10188	25.5
194.08115	9.0
194.11777	4.4
195.06458	2.3
198.07642	1.4
202.08643	1.6
206.08130	3.8
206.11674	1.5
208.06088	2.4
208.09653	1.1
210.05637	1.9
210.07614	35.0
216.10205	3.7
219.01733	1.5
224.09189	18.9
230.11671	1.9
232.09560	1.2
232.13255	1.6
234.11279	5.1
237.02882	2.4
242.10146	7.5
244.09781	2.6
246.85501	1.1
250.14363	1.4
252.12373	1.3
253.03853	1.3
258.11163	1.1
262.10757	21.5
266.13974	1.7
276.12387	5.3
280.11807	23.1
287.04041	1.1
294.13351	68.5
295.13449	1.5
301.06860	1.0
312.14380	100.0
313.14798	2.2
339.23798	1.1
442.17474	1.6
456.18802	3.3
474.19696	85.1
474.30890	2.2
475.19736	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	474.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04701	1.0
55.05513	10.7
56.54286	1.4
56.96547	1.1
57.03420	1.3
57.07075	17.9
64.52837	1.0
65.49422	1.1
67.05516	7.8
68.05843	1.6
69.03442	1.8
69.07053	3.8
69.87114	6.5
73.06554	2.0
79.05479	3.2
81.03405	2.2
81.07041	7.3
83.04969	1.8
83.08614	1.9
84.08123	1.4
84.13191	1.0
85.02894	2.1
91.05466	5.2
93.07034	4.9
94.78840	1.1
95.04953	4.2
95.08631	5.7
97.02889	1.8
97.06528	5.3
97.10156	8.3
98.10489	3.3
98.97567	2.2
105.07035	3.4
107.04940	1.4
107.08566	4.0
108.08920	1.6
109.10163	7.0
110.10480	2.2
111.04471	1.2
111.08077	1.3
117.07012	1.7
118.24104	1.1
119.08575	4.8
121.02853	2.8
121.10130	3.3
123.11668	2.0
125.09637	2.4
129.06973	1.4
131.08559	2.7
133.10088	1.8
137.09612	4.7
139.03835	1.5
143.10638	3.3
144.11000	1.7
145.10083	1.8
146.31314	1.1
149.02338	100.0
149.09637	2.6
154.18239	1.4
161.05942	2.3
161.13213	1.3
165.09109	34.6
166.09456	17.9
167.03371	2.3
175.07550	4.4
175.11243	1.6
187.11217	1.8
203.07001	7.8
205.08568	5.6
205.12253	1.4
244.09787	1.4
277.14328	26.5
323.87698	1.6
354.67044	1.3
395.47607	1.3
456.31406	2.1
474.25851	4.0
475.26654	2.7
496.61829	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	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
55.01863	2.1
55.05510	12.0
57.03434	1.6
57.07074	18.8
62.90938	1.2
67.05508	8.6
69.03407	2.0
69.07050	4.6
69.38725	2.2
69.39130	9.1
73.02908	1.7
79.05490	6.4
80.05814	1.5
81.03406	3.6
81.07052	8.3
83.04968	2.7
83.08600	2.2
83.73525	1.2
85.02898	5.1
91.05478	4.7
93.07035	4.7
95.04963	3.7
95.08604	6.4
97.06506	4.5
97.10168	6.9
98.10519	1.9
98.21497	2.1
98.97533	1.4
105.07021	3.8
107.04942	2.6
107.08578	4.4
109.06543	1.3
109.10151	6.0
110.10547	1.7
111.08022	1.7
115.73660	1.3
119.08556	4.8
120.08916	1.7
121.02843	2.9
121.06486	1.5
121.10141	3.0
123.11701	1.4
125.09616	2.6
127.03933	1.4
129.06993	2.0
131.08560	1.6
133.06419	2.0
133.10075	2.7
135.08022	1.3
135.11667	2.7
137.05898	1.6
137.09605	4.5
138.09937	1.8
143.10693	2.9
145.10141	3.1
147.11664	2.8
149.02336	100.0
149.09625	2.5
157.10129	1.5
161.05959	3.2
161.09680	1.3
165.07840	2.2
165.09126	31.3
166.09464	14.4
167.03384	3.1
173.09587	1.2
175.07527	5.2
175.11226	1.6
185.52957	1.5
203.07040	5.5
205.08615	6.5
205.12234	1.4
219.91020	1.2
263.00400	1.3
277.14325	31.4
382.20929	1.5
383.22031	2.6
400.21738	1.5
456.25055	1.8
456.31238	1.9
457.25833	2.1
474.25616	4.1
475.26724	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	475.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01867	8.1
55.05252	1.7
55.05513	31.9
57.03443	7.4
57.07080	1.4
59.04993	2.9
67.05505	37.3
68.05814	1.7
69.03434	3.1
69.07076	11.0
71.04986	2.9
71.20274	2.2
71.20619	3.3
79.05491	40.8
81.03417	23.5
81.07055	31.2
83.04969	6.9
83.08616	16.1
85.02914	2.5
85.06540	2.1
91.05479	27.6
93.07043	25.9
95.04968	19.7
95.08614	14.7
97.02865	2.8
97.06519	5.4
97.10172	20.5
97.90051	1.5
105.03371	1.7
105.07029	18.9
107.04960	15.8
107.08591	16.0
109.02861	10.7
109.06513	4.6
109.10162	13.6
111.04447	3.0
111.08080	4.5
115.05470	2.8
117.07034	14.5
119.04956	4.6
119.08604	10.9
121.02850	3.6
121.06498	9.7
121.10139	6.7
123.04441	4.2
123.08052	6.2
125.02348	5.4
125.09644	14.5
128.06223	2.2
129.06958	11.9
131.04939	7.4
131.08563	13.6
132.42487	1.7
133.06464	9.2
133.10133	4.9
135.04414	3.4
135.08092	8.4
135.11667	7.8
137.05977	3.4
137.09630	2.7
141.07005	7.6
142.07799	1.9
143.08557	7.7
145.06471	13.6
145.10118	12.6
147.04391	6.9
147.08035	7.0
147.11627	2.1
149.05969	3.2
149.09644	4.2
153.00722	1.8
153.09090	2.8
153.12790	1.6
155.08484	7.2
157.06487	5.3
157.10138	7.2
159.04436	1.9
159.08018	8.5
159.11662	2.9
160.05208	5.8
161.05977	26.9
161.09618	4.4
163.11172	10.5
165.07013	2.4
165.09102	1.9
167.08598	3.6
169.06531	3.7
169.10172	4.3
171.08073	5.5
171.11703	4.8
173.06007	6.2
173.09650	7.3
173.11775	3.7
173.13211	2.6
175.07552	4.2
175.11176	4.3
179.08662	1.5
181.10141	3.0
181.12244	1.9
183.08064	3.8
183.11726	3.3
185.09601	5.5
185.13272	2.9
187.07607	5.6
187.11237	3.7
189.09067	3.6
189.11203	7.4
189.12781	2.3
191.10709	3.5
193.10233	2.9
193.12254	7.0
195.08101	3.3
195.11673	2.3
195.19998	1.5
197.09627	3.8
199.07520	2.0
199.11186	2.9
201.12805	2.0
202.81470	1.6
205.12169	2.9
208.08989	1.6
209.09631	1.8
209.11700	3.1
211.11191	3.8
213.12746	2.5
219.13811	2.0
225.12666	2.6
227.12619	8.7
229.12326	2.2
231.13831	7.6
235.11212	2.6
243.13878	6.7
245.15457	1.9
247.13354	2.0
249.12413	1.6
257.15393	3.0
267.16214	1.6
269.15399	4.4
271.13293	6.7
273.14896	6.8
279.55167	1.8
287.16565	2.4
289.14368	18.4
303.15881	4.1
313.14447	1.9
337.21542	3.1
341.21124	1.7
347.19998	2.7
355.22610	9.9
365.21021	22.4
383.22159	93.1
384.22607	2.6
395.22250	2.3
401.23209	38.8
403.43845	1.7
419.24246	4.7
421.23773	5.2
431.24240	10.0
439.24750	11.4
445.75964	1.5
457.25916	58.4
458.26224	1.9
475.26910	100.0
476.27295	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	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.3
55.01865	4.3
55.05508	14.5
57.03439	35.5
57.07076	58.1
61.02928	47.0
67.05502	30.6
69.03429	30.6
69.07072	21.2
69.59078	15.1
71.01349	3.7
71.04996	5.8
71.08632	39.6
73.02914	21.7
79.05482	11.0
81.03423	36.0
81.07051	37.3
83.04980	5.3
83.08618	25.5
85.02901	56.2
85.03386	3.0
85.10182	19.9
87.04463	5.5
91.03959	30.5
91.05496	8.0
93.07056	12.2
95.04961	3.6
95.08606	42.3
97.02891	49.3
97.03458	4.0
97.10179	11.1
98.98485	14.4
99.04456	15.1
101.02400	7.9
103.03933	17.4
105.07076	6.2
107.08627	6.5
109.02900	21.3
109.10149	19.8
111.04509	4.1
111.11728	3.3
115.03978	3.1
117.05534	2.4
119.08626	5.7
121.06543	10.2
121.10184	7.3
123.11694	12.4
125.43565	2.3
127.03911	34.0
129.05510	5.4
133.10127	3.1
135.11713	4.3
137.00021	12.2
137.05960	2.8
137.13297	6.5
145.05016	9.1
155.01039	11.3
171.11752	2.4
181.12282	3.6
183.06491	11.6
193.02872	2.6
201.07683	6.8
207.08519	2.4
207.10313	6.1
211.03793	3.3
221.22841	3.4
239.23718	34.6
257.24844	2.6
261.16113	2.9
313.27368	98.8
339.29175	10.8
380.63727	2.6
383.23392	4.4
383.27853	18.2
399.88092	2.3
457.32172	7.6
475.32874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01861	3.6
55.05509	8.7
57.03169	1.1
57.03439	19.9
57.07076	41.8
58.66945	0.8
59.04983	1.2
61.02927	53.5
67.05507	16.0
69.03431	23.5
69.07066	10.6
70.47984	3.8
71.01337	3.3
71.04981	4.3
71.08250	2.0
71.08632	31.7
73.02917	22.0
75.04492	2.2
79.05482	4.0
81.03417	17.9
81.06599	1.7
81.07060	20.8
83.04976	4.2
83.08623	15.5
85.02908	52.3
85.10176	18.4
87.04456	3.1
89.06001	1.1
91.03957	36.5
91.05476	2.3
93.07027	2.4
95.04971	2.0
95.07996	1.5
95.08608	28.0
97.02892	45.0
97.06549	1.6
97.10153	7.8
99.04453	10.0
99.11720	1.1
101.02380	11.5
103.03933	7.7
105.07040	2.4
107.04960	1.2
107.08627	1.9
109.02887	10.4
109.10161	15.8
111.04421	1.8
111.11703	2.7
115.03929	3.8
117.05503	3.0
119.08564	1.3
121.06426	1.0
121.10189	1.5
123.11697	7.7
125.13260	2.0
127.03911	23.4
129.05508	4.9
133.10214	1.1
135.11748	1.1
137.13255	2.7
139.14806	1.5
145.04958	7.8
147.11702	2.0
151.14774	1.3
153.12643	1.3
159.06528	2.0
177.00949	1.0
179.03351	1.3
181.12166	1.0
183.06534	5.3
201.07579	4.2
219.08705	1.3
221.22604	2.0
230.88260	1.3
239.23679	27.4
257.24829	4.7
275.19858	1.1
313.27359	100.0
314.27753	2.8
341.26779	3.1
355.28256	2.8
383.22186	1.7
383.27734	1.9
457.31519	4.6
475.26773	3.5
475.32684	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	475.3784
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
50.11261	1.0
53.03946	2.0
53.37985	1.0
54.16427	1.2
55.01868	3.7
55.05508	12.1
57.03440	2.7
57.07070	4.3
65.59742	1.0
66.73214	1.1
67.05505	13.9
69.03427	2.9
69.07066	17.3
69.35017	7.8
69.35436	2.8
71.04973	1.7
75.99541	1.2
79.05488	14.1
81.03425	8.7
81.07054	27.8
83.04972	3.5
83.08620	19.4
85.02905	1.1
85.06540	2.7
87.54342	1.1
91.05478	12.7
93.06612	0.8
93.07038	33.9
95.04972	8.0
95.08606	38.5
97.06529	5.3
97.10193	5.5
99.08103	3.2
105.07024	26.0
107.04959	2.7
107.08592	39.7
107.09319	2.1
109.06517	5.2
109.10152	29.0
111.04382	1.3
111.08067	5.1
111.11719	1.7
113.24966	1.2
117.07002	5.4
119.08582	34.4
121.06493	2.7
121.10143	33.8
123.08063	3.9
123.11687	8.2
125.09659	3.6
129.07011	4.0
131.08588	9.3
133.06538	1.9
133.10127	28.6
135.08073	2.5
135.11690	28.0
137.09624	2.9
137.13239	3.9
139.11165	4.5
139.14757	1.3
142.07773	1.3
143.08549	5.0
145.10114	18.3
147.08058	3.6
147.11684	29.2
149.09621	1.3
149.13261	13.2
151.11168	3.1
151.14784	1.9
153.12717	3.5
156.09387	1.1
157.10150	6.4
159.11685	19.8
161.09633	3.5
161.13281	11.9
161.39745	1.2
163.11176	4.3
163.14827	5.3
163.16113	1.3
165.12740	18.5
167.14334	3.5
171.11699	8.8
173.13271	8.5
175.11201	4.1
175.14801	9.4
177.16385	5.1
181.12183	2.2
183.11786	1.6
183.13824	1.3
185.13199	7.6
187.11070	1.3
187.14798	14.4
188.11864	1.1
189.11279	1.4
189.12779	2.2
189.16286	6.1
191.14317	1.6
191.17982	6.0
193.12175	3.3
193.15849	6.0
197.13268	1.2
199.14816	3.5
201.16383	26.3
203.14389	3.9
203.17955	34.5
205.15923	1.4
211.16917	4.9
213.16359	10.1
215.18005	3.6
221.15385	2.6
224.77678	1.2
225.16451	1.5
227.12790	3.3
227.17970	10.2
229.19569	3.3
231.17442	17.6
241.19403	2.7
245.18945	2.9
249.18533	12.4
253.19545	1.4
255.21126	3.2
263.20175	2.3
267.19385	11.4
281.22626	1.7
283.24219	7.8
289.14502	1.3
295.22687	3.4
309.24323	1.5
327.18503	1.3
365.20932	1.2
383.22229	4.2
421.34598	4.5
439.35712	100.0
440.35934	5.2
457.25671	3.2
457.36813	14.0
475.26770	14.0
475.32437	14.4
475.38080	2.5
476.26907	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	475.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18375	1.4
55.05518	7.7
57.03453	5.6
57.07082	5.1
61.02913	1.5
65.08908	1.5
65.10178	1.4
67.05506	11.0
69.03454	2.8
69.07077	11.1
69.19186	8.3
69.19608	6.8
71.04995	1.4
71.08646	1.7
73.02933	2.2
79.05514	5.6
81.03452	2.6
81.07055	16.1
83.08648	6.5
85.02921	4.5
91.03970	1.8
91.05508	6.4
93.07032	10.4
95.04976	2.7
95.08607	19.6
95.09087	1.7
97.02917	2.8
97.06567	1.8
97.10203	4.2
98.21498	2.8
98.98502	6.6
105.07058	6.9
107.08596	14.5
109.10165	14.4
111.04491	3.1
111.11784	2.1
117.07053	2.6
119.08562	12.0
121.10158	11.5
121.76967	1.7
123.08146	2.0
123.11765	6.0
127.03952	2.0
131.08632	1.9
133.10126	11.1
135.11687	13.5
137.00032	7.3
137.13286	2.8
139.11211	1.5
145.10205	4.7
146.17549	1.6
147.04454	1.8
147.11658	7.9
149.13303	3.9
153.12804	1.7
155.01025	7.6
157.10213	2.1
159.11784	2.6
161.13318	4.0
163.14865	3.5
168.49966	1.6
173.13347	2.1
175.14886	3.0
177.16454	2.1
181.12346	4.4
185.13214	1.7
189.16368	8.3
191.18073	4.4
193.02740	2.0
199.15051	1.6
201.16542	2.3
202.23810	1.5
203.18048	5.4
207.17596	6.8
209.82643	1.6
211.03816	2.8
215.18062	3.5
217.19614	1.4
229.19531	2.2
249.18629	1.9
313.27731	1.9
339.29242	5.8
349.77930	1.6
369.48337	1.7
429.37299	100.0
430.37698	4.6
439.36395	4.1
457.36996	5.3
475.32813	65.3
476.33255	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	476.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47470	1.4
55.01863	1.9
56.12963	1.2
56.96593	1.3
59.81309	1.3
61.02917	1.5
62.52869	1.3
63.69160	1.2
69.03430	7.0
69.50005	4.2
69.50437	6.6
70.80030	1.3
73.45783	1.3
73.79505	1.4
81.03419	2.1
85.02898	10.1
86.09721	2.4
95.04958	2.0
96.04480	4.1
97.02907	5.1
98.20806	2.7
98.97536	1.9
99.04490	1.5
101.74113	1.6
105.03230	1.5
106.06541	4.0
107.04907	1.8
109.02838	1.9
111.04444	1.9
116.98624	2.7
120.99576	3.6
121.06532	1.5
122.14707	1.6
123.08070	2.0
124.03955	100.0
125.02390	2.0
127.03877	2.4
130.03484	1.2
140.03403	4.8
145.04953	2.5
147.04366	1.7
148.07603	3.1
149.90939	1.5
150.05476	2.9
151.03931	3.6
152.05861	1.5
152.07033	2.0
176.03400	3.0
176.07161	2.7
180.03061	1.6
194.04544	4.2
198.02226	1.8
199.11264	3.0
215.10703	1.9
226.01663	21.5
237.02872	2.4
244.02742	14.1
261.11270	3.5
264.08701	4.4
268.06299	7.5
279.79785	1.5
296.05878	59.7
296.09201	3.0
296.14844	2.0
314.06833	11.1
458.20184	5.0
476.11508	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	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89092	0.6
53.61907	0.6
55.01885	0.9
55.05523	4.2
57.01484	0.6
62.06071	1.3
65.98091	0.6
67.05499	11.0
69.07072	3.9
70.75381	2.0
79.05479	5.0
81.07055	8.9
83.08600	1.5
85.05282	2.9
86.06071	1.5
91.05462	2.5
93.07039	3.9
95.08602	6.3
98.06052	11.4
98.98457	2.5
105.07027	1.3
107.08585	2.1
109.10151	2.2
112.07593	1.6
119.08598	1.1
121.10114	1.3
123.11718	0.9
126.09158	0.6
131.08548	0.7
135.11705	0.9
154.12286	1.6
159.23064	0.6
163.11096	0.6
168.13831	0.7
171.11687	0.8
208.16965	1.0
219.47520	0.6
222.18538	0.6
234.18526	0.8
304.26337	100.0
305.26730	1.3
368.30112	0.6
476.33228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94905	0.7
55.01856	2.1
55.05511	4.8
56.96545	0.8
59.44931	0.7
62.06085	1.3
63.41201	0.8
67.05502	16.4
69.07066	4.8
70.00244	4.0
70.06612	1.0
71.04959	0.8
79.05499	6.4
80.05860	0.8
81.03391	1.9
81.07051	13.4
83.04987	1.3
83.08620	1.9
85.05289	1.9
91.05469	5.5
93.07040	6.8
95.04951	2.0
95.08611	7.5
97.10165	1.5
98.06049	12.0
98.98461	2.6
105.07028	2.9
107.04937	1.0
107.08606	3.6
109.10162	3.2
111.08076	0.9
112.07618	0.8
117.06976	0.8
119.08567	1.5
121.06480	1.8
121.10122	1.9
125.09650	1.0
131.08559	1.1
133.10091	1.7
134.61258	0.7
135.11671	1.5
137.13335	1.0
138.09163	1.0
140.10634	1.1
145.10146	1.2
149.09668	0.9
154.12234	1.0
161.09695	0.8
163.11177	1.0
204.77811	0.8
222.18427	1.1
227.12836	2.0
229.07449	0.8
232.14392	1.1
304.26331	100.0
305.26669	1.9
351.58496	0.8
384.22498	1.5
421.68082	0.9
458.26572	2.6
476.27194	4.0
476.33371	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	477.2849
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
53.03932	7.3
55.01877	18.2
55.05512	68.2
57.03436	17.9
65.03925	2.4
67.05502	59.1
69.03420	9.5
69.07070	20.0
70.17710	7.4
70.18112	5.6
71.04980	5.4
78.52769	2.4
79.05494	62.0
81.03416	43.2
81.07058	62.7
83.04976	14.5
83.08620	31.7
85.02873	2.5
85.06525	3.6
91.05474	48.4
93.07048	36.3
95.04974	38.1
95.08606	30.2
97.06516	7.5
97.09568	3.9
97.10165	51.4
105.07038	34.0
107.04950	35.0
107.08600	36.5
109.06530	12.2
109.10154	21.1
111.08070	10.2
113.06020	2.6
115.05447	4.2
117.06992	21.2
119.04923	4.6
119.08578	28.6
121.06508	50.6
121.10120	10.6
123.08080	12.6
125.09623	44.3
129.07011	21.3
131.04926	7.3
131.08568	22.5
133.06497	15.9
133.10149	12.7
135.04466	2.7
135.08058	15.0
135.11682	5.6
137.05992	2.9
137.09610	4.8
141.06992	7.0
142.07738	2.3
143.08562	12.9
145.06487	20.4
145.10127	11.6
147.04376	4.3
147.08067	12.2
147.11659	8.4
149.09642	5.5
151.07468	3.5
151.11223	2.4
153.09090	8.1
153.12752	3.2
155.08545	8.4
157.06488	5.9
157.10110	11.1
159.08032	5.6
159.11710	5.6
161.05914	3.4
161.09581	6.2
163.11156	5.2
167.08537	5.5
169.10127	7.6
171.08025	7.4
171.10223	3.4
171.11726	5.3
173.09589	8.9
175.11214	8.4
181.10133	3.6
183.08002	2.7
185.09618	5.4
185.13242	6.4
187.11197	3.9
187.14856	5.4
189.11234	24.2
189.12633	4.7
189.15759	2.8
193.12227	30.0
195.11700	7.0
197.09570	2.9
197.13100	5.2
199.11140	6.6
205.12224	3.7
205.15875	4.6
211.11391	3.7
211.13289	8.7
215.14331	6.1
217.12167	3.5
223.13298	3.7
227.12668	21.6
233.15326	26.8
237.12781	3.6
241.14252	4.6
245.15356	7.6
249.14990	6.2
259.13217	3.1
267.15964	17.3
268.20160	2.8
271.16971	3.1
273.14856	19.2
287.16309	4.4
291.15857	3.1
303.16144	2.6
339.23132	7.8
341.20996	6.0
347.18704	3.8
349.21561	16.6
357.24130	12.1
367.22650	47.7
375.25250	5.0
385.23697	92.0
403.24774	32.4
415.24673	3.6
421.25772	2.7
433.25620	13.5
441.26364	7.7
459.27396	100.0
477.22403	4.2
477.28595	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.7
55.01882	14.8
55.05247	3.3
55.05510	62.3
57.03432	12.9
57.07071	2.2
59.04961	2.5
61.89880	2.1
65.03905	2.8
67.05500	68.8
69.03419	8.7
69.07070	20.7
69.23402	14.5
69.23830	11.4
71.04975	6.4
78.22352	2.3
79.05495	70.1
81.03416	59.0
81.06606	3.9
81.07056	57.8
83.04964	11.1
83.08615	37.0
85.02899	6.6
85.06564	3.2
91.05475	46.2
93.07035	37.1
93.12076	2.5
95.04969	39.8
95.08598	26.9
97.06513	7.0
97.10171	52.3
103.05436	3.3
105.07022	40.8
107.04960	38.0
107.08588	35.9
109.06539	12.8
109.10162	15.3
111.04425	3.6
111.08067	10.2
112.45839	2.7
115.05460	4.2
117.07011	23.7
119.04982	4.0
119.08565	23.2
121.06508	32.5
121.10132	13.8
123.04430	3.3
123.08033	11.0
125.09618	43.4
128.06192	3.2
129.06987	21.4
131.04929	4.5
131.08543	21.8
133.06471	12.2
133.10095	15.8
135.08080	14.5
135.11713	5.1
137.09662	4.8
139.07520	3.7
141.06979	4.4
142.07803	3.8
143.08571	8.6
145.06499	21.3
145.10095	13.9
147.04416	4.4
147.08029	12.5
147.11667	15.3
149.09607	10.1
151.07561	4.2
153.09082	12.6
153.12721	3.3
155.08533	6.1
157.06459	7.9
157.10124	17.7
159.07965	6.5
159.11708	5.7
161.06015	3.5
161.09610	6.3
163.11154	6.7
165.12880	2.8
169.10127	8.5
171.08029	5.9
171.11696	7.2
173.09636	5.3
175.07495	3.4
175.11180	10.5
177.12756	4.7
181.10123	3.9
183.11716	4.6
185.09706	4.2
185.13245	4.3
187.11160	5.2
187.14807	3.5
189.09523	3.4
189.11191	23.9
189.12749	6.6
193.12248	31.2
195.11653	4.3
196.63199	2.7
199.11192	4.9
203.14418	3.1
205.12276	5.8
211.11308	5.5
211.13286	11.7
215.14307	7.4
217.12206	4.6
219.13870	4.1
223.11105	3.2
223.13202	5.5
227.12689	23.0
229.56828	2.8
231.13683	2.7
233.15350	22.2
237.12772	4.5
240.99934	2.4
241.14319	6.2
243.13704	3.2
245.15511	5.3
249.14806	4.7
267.15942	32.2
273.14957	19.0
275.16327	4.2
287.16342	5.5
291.16098	3.1
321.22012	4.9
331.20474	2.5
339.23126	9.0
341.20865	3.9
349.21646	17.8
357.24243	14.1
367.22604	48.9
385.23715	85.7
386.24182	3.7
403.24667	29.6
433.25705	4.7
441.26187	10.0
459.27386	100.0
477.22360	3.9
477.28525	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	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	14.9
55.05510	58.2
56.96557	5.6
57.03441	13.6
63.21423	2.1
65.03932	2.9
66.04727	2.6
67.05507	53.4
69.03422	10.3
69.07071	17.8
69.98869	11.1
71.04987	4.7
79.05495	71.0
81.03420	44.7
81.07057	52.7
83.04971	11.1
83.08619	33.7
85.02894	8.7
85.06551	5.8
91.05475	50.7
93.07049	39.9
95.04965	34.4
95.08600	34.1
97.02890	6.3
97.06528	12.5
97.10168	46.3
98.97581	2.7
99.08092	3.0
101.24961	2.7
103.05460	6.4
105.04550	2.2
105.07025	33.7
107.04955	40.1
107.08590	34.3
108.67591	2.3
109.02851	2.3
109.06533	11.4
109.10149	22.2
109.37770	2.4
111.04475	3.4
111.08073	10.0
113.05968	3.1
115.05461	4.1
116.98644	2.1
117.07008	18.4
119.04959	2.6
119.08587	23.1
121.06501	38.4
121.10155	13.1
123.04443	5.0
123.08079	8.7
123.11729	2.3
125.06059	4.1
125.09625	33.4
128.06233	5.2
129.07027	18.8
131.04939	7.8
131.08591	27.4
133.06503	14.2
133.10123	16.5
135.04436	6.0
135.08035	13.5
135.11702	9.1
137.06001	3.9
137.09682	3.7
139.03934	5.8
141.06958	8.2
143.08546	13.0
145.06496	19.4
145.10081	15.0
147.04440	5.2
147.08073	12.2
147.11693	15.3
149.06029	2.9
149.09633	10.8
151.07472	2.3
153.09114	10.7
155.08612	6.7
157.06465	4.2
157.10098	14.7
159.08052	10.1
159.11690	6.7
161.05966	5.8
161.09547	5.3
163.11211	7.4
165.05511	7.3
165.12859	4.1
167.07021	2.4
167.08575	3.2
169.10188	5.9
171.08067	7.0
171.11673	6.7
173.09592	4.6
175.11198	8.4
177.05469	3.6
185.09622	5.5
185.13248	7.2
187.11195	4.3
187.14774	3.9
189.09517	3.7
189.11214	21.5
189.12782	6.3
193.12238	24.0
195.11710	4.0
197.13164	3.4
199.11183	6.5
201.00798	2.7
201.12805	2.8
203.14348	2.7
205.12198	6.9
209.13342	3.8
211.11397	3.4
211.13156	4.6
215.14284	7.5
217.12263	3.9
221.13342	2.6
223.11049	3.8
223.13104	2.8
225.12679	3.4
227.12686	24.2
231.13943	2.8
233.11794	2.6
233.15341	17.8
237.12907	2.6
241.14275	3.6
245.15411	6.5
247.13461	3.6
255.13780	6.8
257.15277	3.1
267.15869	18.3
273.14795	13.2
279.25943	2.9
286.07062	7.2
287.16312	3.4
289.17996	4.5
291.16162	3.2
295.21710	2.4
315.19534	2.6
316.33743	2.8
339.23196	9.8
341.21082	8.0
349.21637	15.9
357.24420	15.0
367.22656	39.8
385.23734	86.2
403.24765	30.1
431.27841	3.0
433.25842	8.6
441.26395	10.3
459.27368	100.0
460.27499	3.2
477.28644	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	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.4
55.01878	13.8
55.05512	77.8
57.03438	14.3
57.03666	2.6
59.04992	3.8
65.03934	4.2
67.05506	73.6
69.03419	10.1
69.07063	18.5
69.26254	20.5
70.71211	2.0
71.04990	8.4
79.05494	81.7
81.03419	72.5
81.07059	67.5
83.04996	21.6
83.08618	42.9
85.02904	12.1
85.06523	4.6
91.05482	71.6
93.07040	47.7
95.04399	2.8
95.04972	41.6
95.08601	35.2
97.06546	12.9
97.10168	57.0
98.20683	3.3
103.05448	2.8
105.07022	47.0
107.04958	38.5
107.08591	36.8
107.09235	4.0
109.02896	2.3
109.06506	13.5
109.10166	18.3
111.08074	12.7
115.05455	5.7
117.07005	17.9
119.04967	3.2
119.08573	32.7
121.06503	27.9
121.10146	14.9
123.04469	2.8
123.08089	11.9
123.11732	6.8
125.09624	39.8
128.06213	4.4
129.07004	26.4
131.04935	5.9
131.08568	28.3
133.06485	16.6
133.10147	20.1
135.08046	18.1
135.11702	4.9
137.05968	3.3
137.09607	3.9
139.07536	3.2
139.11142	2.4
141.06944	7.2
142.07776	4.5
143.08562	15.9
143.10687	3.8
145.06490	20.7
145.10126	15.4
147.04443	3.8
147.08070	15.2
147.11732	22.0
149.09622	9.2
151.07532	12.7
153.09143	7.0
155.08572	6.1
157.06500	7.4
157.10106	19.4
159.08049	9.2
159.11690	5.5
161.09636	5.2
161.13376	2.9
163.11160	7.6
164.40324	2.3
165.09140	3.2
165.12810	5.9
167.08572	2.8
169.10103	5.9
171.08035	8.8
171.10223	3.7
171.11723	7.0
173.09657	7.7
173.13261	3.7
175.11162	17.2
177.12843	3.5
181.10167	3.6
181.12169	2.5
183.11694	4.5
185.09647	5.0
185.13219	4.2
187.11064	4.0
187.14711	3.1
189.11217	27.5
189.12761	5.1
193.12228	51.6
195.08148	2.4
195.11748	8.4
197.13335	4.5
199.11192	8.4
203.14255	2.5
205.12199	5.1
209.13200	3.2
211.11353	3.7
211.13242	24.0
211.14714	2.1
213.12856	2.4
214.57045	2.1
215.14391	8.6
216.12836	2.0
217.12267	3.4
220.36267	2.3
223.11189	2.8
225.12747	3.5
227.12643	18.6
231.13824	4.9
233.15323	16.3
235.13377	3.2
237.12782	4.5
241.14291	4.8
243.13982	3.4
245.15384	4.1
249.14935	6.4
255.13731	3.7
257.15329	2.5
259.13324	4.4
267.15939	20.2
271.16980	3.8
273.14917	19.6
275.16534	4.0
287.16428	3.7
291.15948	6.3
321.22028	3.0
331.20624	3.5
339.23175	12.2
349.21619	16.2
357.24310	14.2
367.22711	60.8
385.23727	100.0
395.25906	2.2
403.24838	30.2
433.26004	5.6
441.26303	10.7
459.27432	93.8
459.33908	5.0
477.28500	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	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	13.3
55.05515	64.7
56.96556	2.0
57.03441	14.1
59.04986	3.5
61.11884	1.9
67.05509	64.0
69.03433	14.3
69.07072	21.1
70.62959	2.9
70.63317	5.3
71.04978	6.4
73.11694	1.9
79.05501	69.3
81.03416	31.1
81.06606	3.4
81.07063	61.4
83.04992	13.1
83.08166	2.7
83.08625	32.2
85.02905	3.2
85.06536	3.8
91.05485	40.9
93.07047	35.5
95.04970	31.2
95.08614	27.4
97.06532	13.9
97.10174	58.9
103.05474	4.0
105.07034	29.6
105.46060	1.9
107.04961	41.8
107.08601	37.0
109.02899	2.6
109.06516	15.0
109.10188	17.6
111.04424	3.5
111.08078	8.0
111.90125	2.0
114.18359	2.0
115.05460	4.5
117.07021	16.4
119.04936	4.0
119.08592	22.2
121.06506	39.1
121.10139	10.1
123.04420	3.5
123.08054	13.0
123.11674	3.3
125.09631	45.2
127.01772	1.9
128.06213	5.0
129.06993	18.2
131.04936	7.0
131.08565	22.0
133.06500	12.3
133.10138	11.3
133.39464	2.0
135.04416	3.7
135.08060	13.0
135.11705	6.1
137.05983	2.9
137.09595	4.0
141.06970	9.5
143.08582	13.7
145.06485	23.9
145.10153	16.0
147.04449	5.4
147.08067	10.9
147.11685	13.9
149.09636	8.2
151.07530	5.1
153.09128	8.2
155.08559	6.6
157.06467	4.6
157.10161	9.5
159.08054	7.1
159.11722	6.1
161.05971	4.3
161.09604	5.6
161.13289	2.3
163.03833	2.6
163.07550	2.5
163.11177	6.9
165.09117	4.6
165.12793	3.1
167.08607	3.1
169.06496	3.4
169.10156	6.2
171.08067	6.3
171.10292	3.7
171.11694	8.2
173.09671	5.3
173.13272	3.1
175.07603	2.9
175.11185	8.8
175.14612	2.1
177.12761	4.2
181.10156	5.1
183.08185	2.0
183.11684	3.0
185.09691	3.4
185.13289	4.8
187.11189	6.0
187.14801	2.9
189.11229	26.3
189.12798	6.8
193.12236	21.4
195.11751	3.8
197.09630	3.6
197.13281	4.0
199.11176	6.3
201.12872	2.4
205.12204	3.7
205.15941	2.0
209.13225	2.9
211.11365	2.4
211.13283	3.7
213.12772	4.1
215.14304	5.6
217.12206	5.9
219.13724	4.7
223.13333	3.4
227.12685	16.8
227.14670	2.7
231.13756	4.3
233.15346	18.5
237.12738	5.1
239.14430	2.6
241.12125	2.4
241.14360	7.1
245.15369	6.5
249.14902	5.5
259.13165	3.1
267.15988	10.5
273.14832	21.2
287.16388	3.5
291.15897	3.5
339.23187	9.6
341.21356	3.2
349.21655	22.4
357.24121	11.9
367.22693	51.6
368.23169	2.4
385.23749	100.0
386.23856	3.1
403.24771	26.4
404.25134	2.4
423.25220	2.5
433.25891	9.4
441.26218	8.3
459.27417	98.7
460.27957	4.1
477.29034	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	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.01121	0.4
55.05513	5.1
56.37889	0.4
62.06086	0.7
67.05204	0.5
67.05511	6.2
69.07068	5.9
70.75496	1.4
79.05487	1.3
81.07053	5.4
83.08609	1.6
85.05273	1.8
86.06068	0.8
93.07021	0.9
94.26247	0.5
95.08612	3.5
98.06049	7.6
98.98465	1.7
105.06998	0.8
109.10142	1.6
112.07588	1.5
164.50082	0.5
196.16971	0.6
208.16934	0.8
306.27914	100.0
307.28226	3.3
324.28888	0.7
337.27481	4.0
349.30045	0.5
361.86911	0.5
455.96451	0.5
478.29318	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	478.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05088	0.9
55.05521	2.2
55.26123	0.7
56.96585	0.9
58.06598	1.1
60.08167	14.5
61.66850	0.8
67.05497	3.0
68.17094	0.7
68.24258	0.7
69.07072	2.2
71.04969	1.0
71.07383	6.7
71.08623	1.2
71.50210	0.8
79.05494	2.6
81.03447	1.1
81.07057	3.6
83.04972	1.1
86.09707	51.6
93.07046	2.3
95.08613	1.9
98.98469	4.8
104.10744	100.0
105.11045	1.0
107.08588	0.9
109.06540	0.8
109.10191	1.5
125.00004	30.9
125.00926	1.8
136.06218	1.3
149.02342	1.0
156.18622	0.9
184.07344	70.4
197.01207	0.8
282.21756	0.8
292.16315	0.8
297.16788	1.1
410.72665	0.8
450.17236	0.9
450.68445	1.0
460.35464	2.3
478.14850	1.1
478.30301	1.2
478.36636	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	479.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86775	0.3
51.98533	0.4
52.12173	0.3
53.03953	1.8
54.75307	0.3
55.01878	1.8
55.05511	0.4
57.03439	2.8
59.04993	0.6
61.02930	5.1
67.05454	0.4
67.84274	0.4
69.03432	14.2
69.07064	0.5
70.08057	1.2
71.04983	1.7
72.08154	0.4
73.02916	2.1
76.97559	0.4
79.05487	0.5
81.03419	5.6
81.07026	1.0
83.01318	0.4
85.02906	22.2
86.09699	1.1
87.04469	2.5
91.03944	1.2
91.05453	0.4
93.07014	0.6
95.08607	0.4
97.02899	10.0
97.06520	0.6
99.04458	1.7
101.67582	0.4
107.08643	0.4
109.02906	2.5
120.08103	0.4
121.10131	0.5
127.03913	6.1
127.37257	0.4
137.06050	0.4
141.53642	0.4
145.04956	2.9
147.74843	0.3
163.03871	0.5
170.09706	0.5
180.08084	0.4
182.08368	1.1
197.10747	3.4
198.09200	0.8
209.07199	0.9
210.07846	3.1
211.08734	0.5
224.09354	0.7
225.10222	9.4
228.08977	0.9
238.07289	0.5
240.08905	1.6
242.10521	0.8
243.11154	0.6
253.09737	5.9
255.11304	2.4
257.09161	2.2
257.62112	0.4
268.08429	1.2
271.10779	8.1
278.41223	0.4
281.09409	0.6
299.10272	54.5
300.10590	1.0
317.11316	100.0
318.11685	1.4
479.16614	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	479.19
Annotation	Epimedoicarisoside A
Peak:m/z	Relative Intensity
53.03946	0.8
55.01858	1.3
55.04654	0.4
55.05512	5.1
56.05850	0.6
56.96551	0.4
57.03426	2.0
57.07074	0.6
65.03932	0.6
65.30799	0.4
67.05505	4.5
68.05838	0.7
69.03416	1.9
69.07058	2.4
70.06576	0.6
70.07389	0.5
71.32534	1.0
72.08163	0.6
73.02878	0.5
79.05493	5.0
80.05824	1.3
81.03413	2.1
81.07059	5.3
83.04980	1.5
83.08624	1.9
85.02902	1.3
91.05470	3.7
92.05815	1.2
93.07037	3.4
94.07368	0.7
95.04958	1.9
95.08622	3.0
97.06534	3.4
97.10176	3.7
98.10518	0.6
105.07026	3.2
107.04925	2.3
107.08588	2.8
108.09015	0.6
109.06533	1.6
109.10146	2.3
111.04519	0.4
111.08092	0.7
117.07000	1.4
119.08604	2.2
120.08909	0.7
121.06504	2.5
121.10136	2.5
123.08051	0.7
123.11671	0.8
125.05991	0.8
125.09634	1.8
126.09995	0.7
129.06995	0.7
131.04909	0.6
131.08586	1.1
133.06546	0.8
133.10179	1.4
135.08083	0.9
135.11697	1.3
137.05971	0.5
137.09637	0.7
139.03893	0.6
140.00227	0.5
143.08505	0.8
145.06508	0.8
145.10117	1.0
147.08092	1.1
147.11670	0.9
149.02356	0.9
149.09599	0.7
153.09061	0.7
155.08569	0.5
157.10141	0.6
158.10541	0.5
159.07947	0.5
161.09653	0.7
161.13275	0.6
163.11227	1.0
165.05467	0.8
165.09087	0.7
167.07120	0.7
169.10139	0.6
171.08089	0.5
171.11790	0.8
189.09216	0.6
189.11249	1.0
190.11536	0.7
193.12297	1.0
203.05261	0.7
208.09605	0.6
209.09964	0.8
213.09386	0.4
228.12988	0.6
228.92369	0.4
233.15297	0.8
234.15785	0.5
243.06299	0.6
245.07877	1.5
257.09894	0.6
261.07330	1.9
274.15387	0.5
275.11038	5.0
275.15903	0.5
299.12439	2.1
317.13589	2.2
351.22525	0.8
368.22900	0.8
369.23300	2.6
385.23859	0.9
386.24185	1.6
387.24399	4.4
405.25372	1.3
423.12619	2.0
427.11484	0.6
435.22171	1.0
461.28094	4.7
479.18878	100.0
480.19217	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	479.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.8
55.01862	13.0
55.05521	34.3
56.96547	7.5
57.03421	10.9
62.14925	4.4
65.03926	6.8
67.05508	70.0
69.03421	12.6
69.07078	51.1
71.04974	8.5
71.34263	6.6
73.02871	4.5
79.05503	68.9
81.03420	27.5
81.07060	78.7
83.04979	19.3
83.08628	25.3
85.02898	18.7
85.06542	6.8
91.05496	66.8
93.07053	68.7
95.04974	34.4
95.08610	46.0
95.26383	4.0
97.02883	8.6
97.06529	38.2
97.10174	16.6
99.04446	5.2
105.07048	55.8
107.04943	31.6
107.08590	62.8
109.02870	18.8
109.06548	10.7
109.10178	36.7
111.00806	4.9
111.04465	21.2
111.08066	9.1
117.07023	17.0
119.08601	42.0
121.06474	10.3
121.10140	33.5
123.08089	7.6
123.11675	13.6
125.05975	7.4
125.09652	9.3
126.03112	16.5
127.03902	11.7
128.06215	5.3
129.07028	10.0
131.08591	25.8
133.10136	40.1
134.10506	5.0
135.08038	18.9
135.11691	13.9
136.06171	6.8
137.09608	8.0
139.03902	9.1
139.11195	8.2
141.05478	45.4
141.06535	4.7
141.07051	7.3
143.08571	6.0
145.10114	15.6
147.08041	6.5
147.11690	25.9
149.09624	10.8
149.13269	12.0
151.11203	14.1
153.05363	6.1
153.09123	6.2
155.03387	14.1
155.08540	6.0
156.48607	4.6
157.10101	9.5
159.11665	13.3
161.06006	9.8
161.09613	16.8
161.13280	7.2
163.11197	9.7
165.05322	5.4
165.09103	5.7
167.07069	21.1
167.08374	4.9
169.04979	100.0
169.06396	7.9
170.05762	41.7
171.11584	9.9
173.16914	4.6
175.07504	8.9
175.11192	13.6
191.07036	8.0
193.12218	21.5
203.11037	5.9
203.12741	9.5
211.13330	13.7
237.14781	8.5
253.14407	11.5
257.18909	9.0
267.16016	5.6
275.20041	67.9
291.19495	8.1
293.21094	18.9
307.15125	6.6
315.15750	8.8
333.16919	5.9
349.16507	5.7
369.23996	9.2
387.24365	15.5
458.86548	4.5
461.28494	21.8
479.18710	14.8
479.26276	48.4
479.29950	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	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01868	5.7
55.05508	9.6
56.96593	0.8
57.03445	5.4
59.04995	1.6
61.02920	2.4
67.05506	7.5
69.03426	2.5
69.07065	3.4
70.06598	1.9
71.01357	0.7
71.04989	2.4
73.02921	2.6
79.05495	10.2
81.03416	8.8
81.07049	9.4
83.01337	7.1
83.04977	9.3
83.08611	9.7
84.04500	0.9
84.08132	1.1
85.02911	8.0
86.09707	2.6
91.03957	1.1
91.05479	6.3
93.07043	14.4
95.04955	4.2
95.08617	4.7
97.02906	3.6
97.06527	4.5
97.10172	1.2
99.04466	1.6
105.00094	1.1
105.07037	6.0
107.04942	7.5
107.08594	9.4
109.02895	0.7
109.06508	5.2
109.10178	2.5
111.04476	4.0
111.08109	1.2
114.91823	0.7
116.98638	0.9
117.06997	4.1
119.08552	5.3
121.06519	2.6
121.10159	5.5
123.04455	1.2
123.08080	5.6
125.05968	1.2
125.09650	1.4
129.07018	1.2
131.04909	0.9
131.08598	1.8
133.10127	1.9
135.08087	1.2
135.11693	7.3
137.06009	1.7
137.09605	1.0
139.03874	0.8
145.10120	12.0
147.08020	2.0
149.08514	1.0
149.09650	1.1
153.12741	4.1
155.08546	1.3
163.11176	19.8
173.09654	2.6
181.12245	4.5
191.03581	1.3
191.10663	5.7
191.87544	0.7
209.11731	11.1
227.12779	13.5
257.40512	0.8
283.15390	100.0
284.15897	1.2
306.13306	1.0
319.54837	0.8
480.16666	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	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01879	13.7
55.05504	3.0
57.03437	26.9
57.07057	2.2
58.13401	2.0
59.04991	3.4
61.02932	19.3
67.05495	6.4
67.92662	1.9
68.00890	2.1
69.03432	59.2
69.07073	67.2
70.69975	4.1
70.70325	2.8
71.01329	5.9
71.04992	4.0
73.02921	100.0
79.05482	2.9
81.03407	6.8
81.07059	19.9
83.04998	1.9
85.02909	99.1
86.09704	2.3
87.04449	7.9
91.03971	6.8
91.05486	3.1
93.07059	3.2
95.04963	2.5
95.08603	4.6
97.02898	94.6
97.06519	3.6
99.04462	4.2
103.03934	5.4
107.04957	2.6
107.08582	2.3
109.02899	10.5
109.06528	4.9
109.10138	6.1
115.03197	3.6
115.03941	49.2
123.11712	89.8
127.03926	34.5
133.04973	51.6
137.05937	2.2
145.04959	43.2
151.10005	4.3
151.11186	81.3
151.12404	4.6
152.05760	2.7
162.07684	2.1
163.06015	14.0
165.05344	1.9
169.12251	10.3
173.70499	2.3
191.94130	2.0
193.04965	4.5
217.07048	2.8
223.06070	6.0
241.07072	11.1
259.08182	6.9
283.15414	32.8
300.12286	3.6
313.16467	2.9
314.03476	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	480.3087
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
54.92980	0.7
55.05510	4.3
56.96559	0.9
57.07064	1.8
62.06082	1.3
67.05489	2.6
69.07072	4.2
69.59716	4.1
79.05481	0.8
81.03436	0.7
81.07070	1.5
83.08609	1.7
85.05266	1.1
86.09676	1.0
87.45216	0.7
91.05450	0.9
93.07038	1.7
95.08610	2.1
97.10159	1.2
98.06049	7.4
98.20790	1.3
100.90633	0.7
112.07507	0.7
135.33392	0.6
147.57809	0.6
154.12379	0.7
177.74086	0.7
256.02850	0.6
258.44104	0.7
267.09103	0.8
285.10138	1.2
308.29462	100.0
309.29739	2.1
326.30481	1.1
339.28711	0.8
342.69858	0.7
372.21289	0.7
424.32947	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	481.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44794	3.0
53.03945	7.1
55.01872	8.5
55.05505	26.3
55.17075	2.8
55.61885	3.1
56.96548	3.0
57.03435	13.1
65.03935	5.3
67.05506	82.2
69.03424	8.5
69.07068	24.4
71.01339	3.3
71.05001	10.8
71.49847	3.2
79.05492	47.6
81.03421	57.4
81.07055	63.5
83.04977	21.7
83.08614	22.9
85.02908	28.9
85.06537	9.1
91.05482	72.0
93.07051	31.3
95.04962	35.7
95.08613	20.8
97.02903	5.1
97.06523	17.8
99.04495	4.5
100.46862	2.8
101.06044	3.1
103.05463	3.4
105.07034	75.5
105.07712	5.0
105.44433	3.3
107.04953	9.0
107.08598	41.7
109.06495	14.0
109.10160	81.5
111.04477	5.1
111.08105	15.2
113.06015	7.1
113.63878	3.0
116.98589	3.4
117.07005	5.8
119.08573	23.5
121.06513	4.1
121.10149	9.6
123.08099	4.8
123.11742	14.3
125.09628	4.7
127.07635	3.3
129.07008	11.0
131.08582	14.5
133.10135	100.0
135.11713	4.7
136.06174	3.6
137.09665	4.2
139.03912	2.9
145.10152	6.3
147.11682	12.2
149.09595	6.0
151.11176	48.8
157.10127	10.8
161.09621	5.9
165.12773	4.5
169.12280	9.7
175.11229	11.1
176.26601	2.7
179.10744	4.3
193.12234	43.3
211.13290	40.4
215.12785	8.4
253.14349	53.9
253.16849	3.7
267.15771	4.7
271.15485	4.5
445.25681	3.8
463.26871	14.4
481.28378	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.05518	9.0
57.03424	7.0
61.02908	3.9
65.14178	1.7
66.07945	1.7
67.05196	1.5
67.05505	11.1
69.03410	4.3
69.07053	3.2
69.31901	15.0
71.04977	4.9
79.05500	11.1
81.03420	54.1
81.07055	12.2
83.04993	11.0
83.08629	19.1
85.02903	13.7
91.05010	1.5
91.05500	13.2
93.07028	7.2
95.04965	23.6
95.08590	4.5
97.02881	5.8
97.06521	2.9
97.10165	2.8
105.07043	9.8
107.04948	5.1
107.08576	3.9
109.06506	3.7
111.08090	8.8
119.08614	10.5
121.10122	3.9
123.11729	2.3
123.80461	1.8
129.06989	6.2
131.08537	7.6
133.06453	2.4
133.10098	7.5
142.07750	1.8
147.11673	9.5
149.09602	3.6
153.12741	2.8
157.10114	12.6
165.12700	2.7
175.11203	11.2
187.03174	1.7
193.12251	56.4
211.13298	50.1
212.28580	1.9
229.14397	2.4
244.94446	1.7
267.15912	17.0
285.16971	100.0
286.17377	3.1
387.80917	1.6
391.82227	1.6
399.56116	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	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01859	3.0
55.05507	6.2
56.96569	2.6
57.03430	4.2
61.02916	2.6
67.05503	12.8
69.03425	5.5
69.07071	11.1
69.10907	1.4
69.36564	8.2
69.36978	3.4
70.06604	9.4
71.04994	4.0
72.08147	3.1
73.02909	1.9
79.05498	11.0
81.03397	5.6
81.07063	15.2
83.04971	7.7
83.08630	3.6
83.98719	1.5
84.04513	2.6
84.08152	3.3
85.02905	11.5
85.06522	2.2
86.09705	15.3
91.03950	1.9
91.05471	16.2
93.07053	9.2
95.04962	21.6
95.08619	8.6
97.02891	6.1
97.06519	9.3
105.07026	13.5
107.04929	4.9
107.08594	10.3
109.06527	6.5
109.10150	2.8
110.07177	3.8
111.04435	3.3
111.08094	1.6
117.07010	3.3
119.04962	1.7
119.08582	5.6
120.08118	4.8
121.10133	4.3
123.08053	2.3
124.07596	2.7
125.05991	1.6
125.09657	2.5
127.03938	2.5
129.07010	5.7
131.07271	1.4
131.08571	6.0
133.06488	3.3
133.10123	11.4
135.08075	7.7
135.11607	2.4
136.07487	1.8
137.05971	4.6
137.09587	1.7
138.09113	2.1
139.03876	1.9
145.04961	2.1
145.06493	1.5
147.04420	1.6
147.11679	8.4
149.09622	5.2
150.09088	1.6
151.10063	2.1
151.11105	8.0
153.06995	2.3
157.10129	5.7
159.11676	1.6
161.09610	2.4
163.03969	1.4
163.11223	2.6
165.05446	1.8
165.12779	3.9
167.06982	1.9
175.11195	7.0
191.10718	1.5
193.12248	10.6
211.13283	13.1
214.12213	2.6
232.09700	4.4
267.15869	6.0
276.15823	1.7
284.12817	3.8
285.16968	100.0
286.17477	3.2
302.13885	4.3
320.14798	10.5
385.11188	1.7
398.04669	1.6
482.17667	1.3
482.28128	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	482.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.3
55.05511	13.8
57.03421	2.6
57.07073	4.0
59.04990	2.9
67.05511	23.4
69.03423	3.1
69.07069	38.7
69.87914	10.7
71.05006	2.4
71.08628	2.5
71.11022	1.6
71.37136	1.9
73.84430	1.9
79.05500	28.9
81.03439	4.4
81.07061	26.6
83.04985	5.9
83.08627	5.3
86.09702	8.4
89.06063	3.6
91.05472	20.6
93.07040	42.2
95.04962	12.8
95.08604	21.7
97.06561	4.6
97.10161	5.6
98.20799	3.0
103.37820	1.8
105.07035	22.7
107.04965	22.2
107.08603	20.1
109.06505	4.0
109.10173	9.2
117.07008	6.6
119.08591	24.1
121.10147	14.6
123.08083	3.1
123.11759	2.4
131.08562	12.5
133.08635	2.3
133.10146	17.7
135.08047	19.0
135.11696	4.5
139.11232	8.9
145.10115	6.7
147.11713	7.3
149.09625	6.1
149.13239	1.7
153.14929	1.9
157.10158	3.1
159.11684	6.7
173.13300	2.5
183.13866	4.9
187.14804	2.1
203.12804	11.4
219.13692	2.2
237.14856	15.1
257.19037	6.8
275.20065	100.0
283.17517	2.6
293.21094	70.3
294.21460	2.2
295.36624	2.0
305.00443	2.0
381.90439	2.2
434.28418	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20868	0.5
50.85535	0.5
54.21915	0.5
56.96544	1.1
64.73087	0.5
69.92818	1.2
69.93211	1.2
70.39938	0.6
98.97581	6.3
116.98636	6.1
134.99657	6.2
153.00693	1.0
174.97719	2.5
190.95668	0.6
192.98685	5.1
208.96660	1.2
214.95651	1.0
216.98668	2.5
221.01527	0.5
232.96658	9.8
233.96823	0.8
234.99808	7.2
238.95621	1.1
240.98712	0.6
250.97748	16.0
251.97917	0.9
253.00906	1.1
256.96677	11.6
258.99960	5.3
260.00034	2.0
260.99863	0.9
261.03021	1.2
274.97733	57.3
275.97897	3.5
276.98001	1.3
277.00952	9.0
278.01184	1.5
279.01044	1.2
280.96704	2.7
282.99933	7.5
284.00159	1.1
284.99728	0.9
289.96640	0.6
290.95749	0.5
292.98779	18.3
293.99020	1.5
298.97739	37.7
299.97940	1.8
300.97672	1.1
301.01044	19.0
302.01233	3.0
303.00803	1.6
316.98798	100.0
317.98975	6.1
318.98734	1.5
319.02188	1.2
332.43860	0.6
334.99921	6.1
336.00290	0.6
340.00168	3.2
340.98868	1.3
356.96652	0.8
358.99966	5.2
361.00119	0.8
374.97733	3.1
380.97009	1.6
385.04257	0.6
392.98853	0.5
398.97998	2.6
401.00937	3.0
402.01370	1.0
403.01050	0.6
416.98944	11.6
417.99023	1.1
418.99466	0.7
422.97757	5.4
423.98093	0.7
425.01065	1.7
440.98813	44.9
441.99231	2.4
443.02359	8.3
444.02124	1.4
445.01971	1.6
458.99954	91.9
460.00116	6.2
461.00015	1.5
477.01126	2.0
482.01633	3.6
483.01086	5.5
484.02438	0.6
490.91177	0.5
501.02469	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	483.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05741	0.6
57.03419	0.7
67.05487	1.0
69.03416	1.9
70.06590	1.1
70.56236	1.5
71.04975	1.4
79.05486	0.9
81.03409	2.2
81.07059	0.7
85.02915	3.6
86.09693	1.1
91.05477	0.6
93.07024	0.6
95.04962	2.2
97.02881	1.5
97.06532	0.9
98.97618	0.5
101.06020	0.5
103.05453	0.6
107.04955	1.6
109.02872	2.2
109.06518	0.6
116.74828	0.5
119.08585	0.5
120.06488	0.5
121.06496	0.7
127.03931	0.5
129.05429	0.6
135.04404	1.3
137.05962	0.9
151.03926	1.4
157.10126	0.7
165.05516	1.0
175.03673	1.4
177.05460	0.7
185.04257	1.1
193.12238	0.7
193.85973	0.5
204.43758	0.5
220.26045	0.5
265.68915	0.6
285.12357	0.6
295.94821	0.5
303.13303	1.1
305.06192	1.2
321.14423	0.7
331.09979	10.3
331.13611	0.8
337.08939	2.4
439.41452	0.6
451.11877	1.5
483.14734	100.0
484.14890	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	483.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52212	0.6
53.03938	1.7
55.01867	3.2
55.05507	3.2
56.96563	1.6
57.03436	4.5
59.19439	0.7
61.02906	1.6
67.05505	3.7
68.51335	0.7
69.03419	2.5
69.07072	19.8
69.58823	2.1
69.59254	3.3
71.05001	4.8
79.05499	20.0
80.51643	0.9
81.03400	0.9
81.07072	5.0
83.04974	2.2
85.02902	2.1
85.06544	1.0
87.08105	1.0
89.03938	2.1
90.49609	0.7
91.05472	2.0
93.07036	1.8
95.04964	2.7
95.08601	1.9
97.02891	1.3
97.06534	59.5
98.20759	1.2
98.97573	0.9
105.04545	1.2
105.07043	1.2
107.04942	1.8
107.08572	1.7
109.10150	2.1
111.04427	1.1
111.08080	8.0
112.08861	3.0
116.98621	0.8
117.03374	4.1
119.08601	1.6
121.10133	1.3
129.09099	3.0
131.08539	1.7
133.02831	6.1
133.10123	1.5
135.04436	8.0
135.11659	1.4
141.07002	1.3
145.02859	6.3
145.10049	0.9
147.04416	3.5
147.08087	0.8
147.11649	0.8
151.03893	1.1
153.12709	0.9
157.10117	0.9
159.04428	4.1
159.07997	1.2
161.01163	1.2
161.02342	9.8
162.03151	1.4
163.03914	38.6
163.07544	1.0
165.07150	0.8
167.08534	2.0
171.04442	0.9
171.08138	0.8
173.02350	85.5
174.02684	1.2
175.03899	1.3
177.05499	6.1
181.06493	0.9
183.08086	1.8
185.05989	4.4
185.09578	1.1
187.03912	3.2
187.07584	2.0
189.21635	0.8
191.03419	10.7
195.08087	4.7
197.05931	1.1
199.03925	2.3
199.07635	1.8
213.05630	1.0
213.09096	4.3
215.07036	84.0
216.07329	1.4
223.07513	2.9
233.08044	4.7
241.08604	49.8
242.08717	0.8
259.09662	65.4
260.10019	0.8
273.11221	100.0
274.11673	1.7
291.12164	5.1
309.14215	1.0
327.40811	0.9
353.44998	0.8
433.14838	1.0
465.17239	1.1
483.25647	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	483.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
54.67939	0.9
55.01859	2.4
55.05500	3.1
57.03428	4.0
59.04963	1.2
67.05495	4.0
69.03419	2.0
69.07068	12.0
69.62752	5.0
71.04974	2.8
77.03938	0.9
79.05492	10.3
81.07065	4.4
83.04977	2.3
83.08624	1.3
85.02887	1.2
89.03919	2.3
91.05457	1.6
93.07030	2.0
95.04953	2.0
95.08628	2.0
97.02863	1.0
97.06531	31.1
105.07047	1.6
107.04930	1.3
107.08598	1.7
111.08103	5.9
112.08855	2.8
117.03387	1.9
119.08575	1.9
121.10165	1.6
125.68140	0.9
133.02843	5.1
133.10149	1.1
135.04398	4.1
145.02843	4.6
145.10088	1.4
147.04419	1.4
147.08115	1.0
151.03894	1.7
159.04402	3.0
159.08028	1.3
161.02342	9.9
162.03130	2.0
163.03906	26.4
167.07054	1.1
167.08540	1.7
169.06516	1.0
171.07988	1.0
173.02347	87.9
174.02776	1.2
177.05475	8.6
178.75305	0.8
185.05998	5.0
187.03922	2.5
187.07513	1.9
191.03375	10.8
195.08029	2.7
197.05905	1.3
199.03938	2.2
204.04190	1.0
213.09114	2.8
215.07027	82.6
216.07355	1.9
222.00894	0.9
223.07515	1.2
233.08022	4.5
241.08588	25.8
259.09650	45.5
260.09930	1.9
265.16675	1.1
273.11218	100.0
274.11664	3.8
291.12317	5.0
483.26199	2.2
483.36844	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	483.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01872	1.8
55.05513	2.3
57.03437	4.4
57.94007	0.6
59.05003	0.8
61.02923	2.6
65.03951	0.6
67.05505	4.0
68.65016	0.5
69.03432	2.0
69.07066	21.2
70.03925	3.1
71.04987	0.8
79.05488	10.2
81.07056	2.3
85.02874	0.7
85.06542	1.4
87.08109	1.3
89.03892	3.7
91.05479	0.9
95.04965	2.1
95.08573	0.8
97.06527	86.5
103.05471	0.7
107.04939	1.4
111.04482	1.1
111.08067	3.2
112.08826	1.4
117.03413	2.9
117.07035	0.7
119.08572	0.8
119.95613	0.7
126.90385	0.6
129.09105	3.2
131.04881	1.1
133.02844	2.7
133.10103	0.7
134.03607	0.7
135.04417	7.0
140.02800	0.6
141.06989	0.6
145.02838	6.2
145.06540	0.6
146.76515	0.6
147.04402	1.2
149.05951	0.7
151.03943	0.7
159.04419	7.8
159.08043	1.2
161.02339	26.8
163.03897	59.0
164.04155	0.9
165.09120	0.6
169.06534	0.7
173.02339	55.2
174.02731	1.3
177.05508	1.3
179.03409	1.0
185.05972	5.1
186.03262	0.6
187.03902	1.2
187.07596	1.8
191.03384	8.7
195.08041	1.0
197.05920	1.6
199.03859	0.9
200.04619	0.6
213.05556	1.0
213.09113	1.6
215.07019	92.8
216.07318	1.7
233.08115	4.5
237.02794	0.7
241.08600	16.3
259.09647	34.4
273.11218	15.2
283.94742	0.6
291.12247	100.0
292.12601	1.6
321.16772	0.9
351.11838	0.7
394.07492	0.6
405.86868	0.7
425.61136	0.6
433.82251	0.6
465.16943	1.2
483.16223	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	483.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64934	0.7
56.96552	1.2
57.03429	1.9
60.04501	0.9
61.02914	2.8
69.03432	5.2
70.78564	0.9
70.78894	1.6
73.02908	1.0
81.03407	2.9
85.02906	11.0
86.09682	0.8
88.20295	0.8
91.03937	0.8
94.06548	2.0
95.04955	1.1
95.23025	0.8
97.02891	3.5
98.97570	1.1
99.04449	1.0
107.29864	0.8
108.08137	1.3
118.06523	1.0
120.08098	1.4
122.06039	1.2
127.03930	1.9
136.07585	1.6
140.07018	0.8
144.08098	1.0
145.06404	0.8
145.07544	1.0
146.08398	1.2
167.91307	0.8
173.07080	3.3
174.07886	2.2
174.11612	0.9
182.09657	1.5
184.11264	1.1
189.10217	3.7
194.09615	1.4
195.09212	1.3
196.09921	7.6
197.10730	2.5
201.10193	0.9
203.11819	1.4
206.08388	15.2
209.07086	1.4
209.10791	1.8
210.11537	1.6
211.08665	1.1
211.12292	11.5
212.10831	0.8
213.10292	0.9
220.09959	3.3
221.10779	6.7
221.12746	1.1
223.08661	5.7
224.09460	7.8
226.10941	1.3
227.08110	3.2
227.11729	1.1
229.13391	1.2
237.10234	2.6
238.10982	8.0
239.08083	2.0
239.09290	1.2
239.11786	23.9
241.09712	2.8
243.11285	1.1
244.12090	2.7
252.08896	1.2
254.10532	1.8
257.12799	7.3
262.13229	1.2
267.11282	50.7
268.11588	1.1
272.11548	4.0
275.13934	3.0
285.12344	59.7
287.14041	1.0
290.12570	3.1
300.48581	1.0
303.13385	100.0
321.14429	23.9
452.18414	0.9
465.18484	1.0
483.19904	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	483.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.5
55.01863	1.4
56.96564	1.3
57.03429	1.6
58.55214	0.7
60.04468	0.9
61.02912	2.8
67.05485	1.2
69.03432	7.8
70.06579	1.7
71.05003	1.0
71.49438	0.9
72.08133	1.5
73.02892	1.6
81.03397	3.2
81.07069	0.7
84.08126	2.0
85.02904	12.8
86.09693	2.0
87.04444	2.0
89.07156	1.0
90.62268	0.8
91.05489	1.2
94.06544	1.5
95.06085	0.8
97.02901	5.7
98.97545	1.6
105.07037	1.0
107.34544	0.9
108.08109	1.1
109.02856	2.3
118.06493	1.3
120.08080	1.8
122.06010	1.7
127.03879	2.0
128.98590	1.1
135.04410	0.9
136.07590	2.3
145.04898	1.6
146.08395	1.0
147.04420	1.3
155.07188	0.9
163.03914	2.2
167.07056	1.1
168.08116	0.9
169.08890	0.9
182.08273	0.9
182.09695	0.9
184.07510	0.8
184.11224	1.1
185.07144	1.0
187.98180	0.9
194.09676	0.9
195.09114	1.8
196.09930	8.8
197.10693	2.6
206.08386	19.5
209.07108	1.4
209.10744	1.3
210.11517	2.4
211.08792	1.6
211.12300	10.7
212.09181	0.9
213.10286	1.5
220.09984	4.5
221.10687	8.4
223.08562	6.3
224.09380	9.1
225.10095	1.7
226.11000	1.2
227.08139	3.0
227.11774	0.8
229.13312	0.8
237.02875	1.0
237.10216	4.9
238.10979	6.5
239.08081	1.7
239.11781	25.5
241.09714	2.6
243.11377	1.2
252.08833	1.6
254.10654	1.6
257.12830	5.7
258.11115	0.8
267.11279	49.7
272.11572	5.8
273.12201	1.0
275.13727	1.0
285.12323	66.7
286.12665	1.1
287.14017	1.5
303.13373	100.0
304.13846	1.8
321.10886	1.1
321.14423	9.1
339.11450	1.2
483.19241	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	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63400	2.4
55.05516	19.9
57.03431	7.0
57.07067	10.2
58.76628	1.9
67.05515	4.5
69.07071	24.8
70.36907	2.1
70.56467	2.4
70.56805	5.8
71.08629	5.8
73.90397	2.4
79.05482	4.3
81.07049	4.6
83.08626	18.5
85.10173	3.3
93.07034	4.4
95.04936	2.8
95.08601	6.8
97.10154	13.1
98.98466	11.6
100.97034	2.1
105.07032	2.4
107.08592	5.6
109.10158	3.1
121.10143	2.6
125.09622	2.7
151.11081	2.3
155.01039	5.2
156.13889	6.6
166.93376	2.1
187.52582	2.8
311.25830	95.1
343.74466	2.5
349.21088	2.4
447.25217	3.4
482.47131	3.2
483.35635	100.0
483.47244	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	483.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72122	1.9
55.01887	4.0
55.05512	60.2
57.06806	3.0
57.07077	49.2
62.75320	1.9
64.66460	2.1
67.05504	27.5
69.03420	6.8
69.07074	16.9
71.08299	3.0
71.08630	31.6
71.50063	2.6
79.05491	13.3
81.07055	32.9
83.04950	2.9
83.08621	41.0
85.06528	4.4
85.10181	16.5
91.05461	6.1
93.07030	6.9
95.08610	25.0
97.09573	3.8
97.10168	63.9
105.07028	3.1
107.08604	13.0
109.10127	12.0
123.11692	7.3
125.08795	4.1
125.09633	50.7
135.08057	6.5
143.10716	2.5
153.09065	5.5
171.10201	4.9
189.11226	61.8
224.51741	2.2
227.12804	25.2
239.23746	8.9
263.44562	2.1
275.20111	2.9
276.20413	4.1
294.21359	2.4
370.04901	2.5
469.14032	2.2
483.36752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62936	8.3
55.05492	20.0
56.96561	16.3
57.03419	11.6
67.05500	35.2
69.07058	39.0
69.48746	65.7
70.06589	10.5
73.81792	9.2
79.05477	41.9
81.07069	45.5
83.04995	9.3
91.05473	25.2
93.07053	51.5
93.18241	9.7
95.04955	22.2
95.08585	36.7
97.06519	24.6
98.20804	18.3
105.07035	23.4
107.04968	22.9
107.08607	22.6
109.10146	17.9
115.67428	9.2
117.06997	12.4
119.08549	23.5
121.10128	18.8
133.10085	22.9
135.08032	18.4
139.11140	10.5
145.10080	12.9
147.11667	14.4
157.54446	8.8
173.23801	9.5
178.10518	9.5
203.12761	16.6
237.14923	14.3
245.96997	8.6
275.20035	100.0
291.95776	8.9
293.21045	66.8
327.52200	9.2
439.79559	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	484.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.05505	10.1
57.07066	5.6
59.19066	2.6
62.52545	2.3
67.05503	33.0
69.03435	4.3
69.07074	12.0
69.57498	10.7
69.57903	5.5
71.04982	3.8
71.08623	9.8
79.05494	16.5
80.49169	2.3
81.03431	15.8
81.07062	23.5
82.28260	2.3
83.04961	6.4
83.08614	5.2
85.06510	3.1
91.05465	10.1
93.07049	24.6
95.04980	13.1
95.08626	17.0
97.06537	4.3
97.10176	4.4
98.21512	4.6
99.08086	2.4
105.07001	6.4
107.08601	11.6
109.06493	3.1
109.10165	17.1
111.20152	2.3
119.08569	8.7
121.10164	12.9
133.10135	7.4
135.11671	4.9
137.09639	16.3
139.11191	2.8
145.10217	2.4
147.11700	5.7
149.13243	6.0
151.11208	9.3
163.14780	2.5
203.12773	2.4
206.61769	2.5
221.15474	3.9
241.19513	4.4
248.40288	2.2
249.22162	3.1
277.18576	3.6
277.21628	89.7
295.22668	100.0
378.46616	2.6
410.90872	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	485.1992
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
50.81957	0.3
55.05505	0.4
67.05514	0.8
69.03421	0.5
69.07058	0.8
70.06586	0.7
70.61741	0.7
70.62116	0.5
73.55048	0.3
79.05496	0.6
81.03390	0.5
81.07056	1.0
83.04988	0.5
84.02383	0.3
84.04504	0.3
84.08142	0.3
85.02906	0.5
86.09712	0.6
91.05460	0.3
93.07031	0.5
95.08620	0.6
97.06532	2.1
98.97626	0.4
105.07026	0.5
107.04960	0.5
107.08582	0.7
113.07671	0.3
114.05974	0.3
116.51432	0.3
117.31995	0.4
119.08586	0.5
121.10114	0.4
123.08079	0.3
133.10133	0.5
145.10155	0.4
160.45816	0.3
163.03874	0.4
163.11264	0.3
165.05508	0.5
169.63072	0.3
173.02550	0.4
185.04262	0.5
234.24377	0.3
259.09708	0.6
267.10706	0.6
285.11673	0.6
309.11703	0.4
323.14661	1.4
343.46469	0.3
390.61282	0.4
467.13870	0.4
485.19916	100.0
486.20328	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	485.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57905	0.7
55.01869	2.8
55.05511	14.7
56.05008	0.9
56.96561	1.3
57.03443	0.9
57.07049	1.6
57.98803	1.0
58.99585	10.9
61.01139	1.2
65.03933	1.6
67.05508	19.7
68.05021	1.1
69.03439	1.8
69.07063	5.0
70.02939	1.1
70.06585	1.4
71.04990	1.1
71.08644	1.2
71.49442	1.3
73.01136	1.8
74.00675	1.3
76.02254	1.4
76.04014	2.3
79.05496	8.1
80.05022	2.9
81.03406	1.4
81.07059	9.9
82.02972	0.9
83.04982	1.3
83.08624	5.9
84.04517	1.6
85.01113	1.6
85.02895	1.8
85.06548	1.2
86.00657	3.7
86.09727	1.3
86.99056	7.7
88.02226	4.8
91.05475	7.1
92.72841	0.8
93.07027	6.5
94.06561	2.7
95.04971	2.2
95.08608	5.7
96.04482	5.2
97.01125	2.4
97.06527	5.5
97.10174	10.3
98.00649	2.2
98.09683	0.9
99.02689	1.9
100.02215	2.0
105.07014	5.1
106.06566	2.5
107.04958	2.0
107.08587	8.8
108.04486	5.6
108.08121	1.3
109.06532	2.8
109.10155	10.3
110.06049	2.4
111.02685	2.5
111.08082	1.1
112.02184	19.2
113.00600	2.5
114.03767	1.4
115.05531	0.8
116.01675	43.3
117.07033	2.3
118.06550	1.7
119.08543	4.2
120.04530	0.8
120.08091	1.9
121.10179	2.6
122.06032	4.4
122.09677	1.2
123.02642	1.2
123.08064	1.0
123.11683	1.5
124.02189	2.4
124.11256	2.7
125.00567	1.6
125.09644	6.7
126.03741	11.8
126.09190	1.4
127.02140	1.3
128.01703	2.6
129.07040	1.4
130.04965	1.2
131.08583	1.9
132.08128	1.4
133.10124	1.4
134.06049	1.7
135.08060	3.0
135.10382	1.0
136.02155	5.4
136.11212	1.8
137.02954	1.2
137.04201	0.9
137.09633	1.3
138.03740	12.4
139.04645	1.1
139.05733	2.0
140.01677	4.0
140.05319	1.1
141.07184	1.1
143.02785	0.9
143.08617	2.2
143.10695	0.9
144.01135	12.3
145.06100	1.8
145.10147	1.5
146.07323	0.8
146.09656	1.3
147.08118	1.0
147.10443	1.1
147.11678	1.6
148.07579	0.8
148.11221	2.0
149.01242	1.4
149.02925	1.4
149.05823	0.9
150.03712	5.7
150.09152	4.7
150.12779	1.6
151.11189	1.2
152.01636	1.9
152.05316	2.9
152.10690	15.5
153.09148	1.0
154.03218	11.9
154.06776	1.0
155.08817	1.0
156.08446	1.7
158.09926	1.4
160.11186	1.5
161.09653	1.0
162.02191	14.0
163.11215	0.8
164.01648	2.1
164.05312	1.8
164.10750	1.7
165.07388	1.0
166.03241	2.5
166.06956	2.2
166.12321	1.6
167.05283	0.9
168.04762	1.3
168.08415	13.8
169.06862	1.2
170.09941	0.9
173.06131	0.9
173.11780	1.5
174.12895	0.9
175.07555	0.8
176.10701	4.5
178.03181	1.2
180.08392	1.9
181.06784	1.0
182.09985	18.3
182.11641	1.0
184.07910	17.2
184.11633	2.2
189.03310	1.4
189.11263	2.8
192.08371	4.8
194.09982	26.5
204.10246	1.0
206.10158	1.0
208.07939	3.8
210.09467	79.6
212.11115	1.6
215.07121	1.6
220.07977	1.3
221.08687	1.2
222.09547	1.3
224.08121	2.5
229.14502	0.9
238.08916	3.9
239.12274	1.7
240.05650	1.8
249.12474	1.6
251.12119	4.1
253.06433	5.1
254.12047	0.9
255.04375	1.0
262.12585	1.2
265.10159	1.8
266.12177	1.1
267.11685	3.7
279.19644	1.2
280.13736	2.2
285.12671	26.3
285.15771	1.5
289.18109	1.6
292.17270	1.6
295.11179	3.1
296.11887	4.9
297.12665	38.1
307.18820	1.1
311.10675	4.4
312.11423	3.0
313.12143	100.0
314.12869	1.2
318.18930	3.6
336.20108	4.8
346.18314	9.4
364.19342	10.1
365.20349	1.0
374.18341	1.1
387.15967	2.8
392.18915	4.9
393.22067	1.2
403.20526	1.7
421.21564	6.1
439.22571	7.9
449.21060	16.8
467.22104	57.1
468.22314	1.1
485.23251	27.5
485.33163	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	485.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46527	1.9
53.03930	2.9
55.05497	10.1
57.03418	6.0
57.06846	2.4
57.07075	29.1
66.09016	2.7
67.05494	11.6
69.07056	8.2
69.79705	2.1
70.59699	6.1
71.05002	3.3
71.08632	18.2
73.15182	2.5
79.05467	3.9
81.07048	14.3
83.08614	6.9
85.06458	2.1
85.10171	9.4
89.06040	3.4
91.05467	6.6
93.07015	8.1
95.04944	3.0
95.08611	19.4
98.98469	13.4
105.07025	6.2
107.08561	5.8
109.10112	7.8
119.08576	5.8
121.10165	5.4
131.08527	3.6
133.10149	3.9
143.08582	2.8
145.10126	4.3
147.11696	3.1
155.01033	9.3
173.02025	3.6
173.13275	2.2
175.71477	2.1
183.11481	2.1
313.27368	100.0
449.30780	3.0
454.59665	2.6
467.31265	4.4
485.32538	7.0
485.46991	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	485.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.3
57.03440	3.6
57.07079	23.6
63.21165	1.5
63.69310	1.2
67.05508	7.2
69.07063	5.4
71.08624	15.7
71.50430	2.1
79.05473	1.6
81.07040	8.6
83.08630	5.4
85.10194	10.0
89.06046	2.4
91.05524	1.7
93.07050	1.9
95.08617	11.2
97.10178	2.7
98.98478	16.5
104.50898	1.4
107.08587	1.8
109.10168	5.3
116.04825	1.3
123.11774	1.5
155.01065	10.8
172.35263	1.6
173.02094	2.3
239.23628	2.2
277.71265	1.4
313.27365	100.0
314.27716	2.0
393.24060	2.2
449.26581	5.5
485.32733	5.5
485.47079	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	486.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
61.02905	0.6
61.79500	0.4
69.03427	2.8
70.06590	3.0
70.67446	1.0
70.67788	0.5
71.04989	0.5
79.05492	1.2
82.06576	0.5
84.08146	2.0
84.25723	0.4
85.02908	2.6
87.04465	2.5
91.05483	0.6
97.02897	1.7
98.06055	4.6
107.04964	3.3
109.02785	0.4
112.07598	9.8
114.05498	2.1
118.06524	1.1
120.08112	0.7
124.07511	0.4
125.02312	0.4
127.03943	0.6
132.08031	0.5
134.06035	0.7
135.04411	6.6
136.07542	0.6
139.03905	4.3
145.02856	1.1
148.07585	1.2
148.11234	0.9
149.08372	0.8
150.09138	4.8
151.03757	0.4
158.09634	1.4
161.05984	0.5
161.08385	0.8
163.03876	4.0
168.08098	1.6
168.10194	0.6
172.07494	0.5
172.11226	0.8
174.09187	0.5
175.41255	0.4
176.10690	2.8
177.05476	3.7
178.08572	0.7
184.07585	0.8
185.08353	0.5
186.09142	7.3
189.05501	3.3
196.09674	0.6
200.10672	2.9
202.08667	2.5
202.12254	0.5
204.10197	5.0
210.09088	0.6
212.07033	1.1
218.11838	1.1
222.11357	0.4
228.10188	8.4
230.08128	1.5
238.08604	1.1
238.10912	0.4
241.71568	0.5
244.09570	0.6
246.11244	3.8
250.14340	0.5
256.09650	6.2
260.12851	2.1
274.10736	8.5
278.13785	2.8
288.12311	3.3
292.11786	6.9
296.15042	0.8
304.11816	0.4
306.13361	27.7
307.13562	0.4
324.14410	39.2
325.14606	0.7
468.18735	7.9
469.18848	0.4
486.19702	100.0
487.19974	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	486.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
61.02924	0.9
66.30484	0.4
69.03445	2.8
70.06577	1.2
71.48969	0.7
73.02919	0.5
73.84570	0.5
79.05498	1.4
82.06596	1.2
84.08124	0.9
85.02922	3.0
86.06097	1.0
87.04482	5.6
91.05482	0.7
97.02898	1.4
98.06052	2.9
98.97585	0.9
104.07048	0.4
105.07053	0.7
107.04970	1.9
108.08199	0.5
109.02937	0.5
110.06036	0.5
112.07603	5.4
114.05528	0.6
116.07101	0.6
117.58414	0.4
118.06538	2.5
119.04938	0.7
127.03889	1.2
127.40237	0.4
128.14735	0.4
130.08708	1.2
133.06482	0.6
134.06012	1.0
135.04434	5.0
136.07602	0.8
139.03865	2.3
145.02869	0.6
145.04988	0.6
148.07623	0.7
149.08412	0.6
150.09152	3.5
151.85631	0.4
158.09627	0.8
160.07574	0.9
161.06015	1.3
161.08281	0.4
163.03902	3.9
168.08130	1.2
168.10223	1.1
176.07161	0.5
176.10754	1.9
177.05501	2.3
178.08690	0.6
186.09122	5.5
188.07091	1.4
189.05530	1.5
194.11833	1.3
200.10757	1.6
202.08679	1.3
203.07077	0.6
204.10225	4.0
205.99843	0.4
218.11804	0.6
220.09666	0.6
228.10243	3.2
230.08170	0.9
237.02913	0.5
238.08549	1.0
238.10718	0.9
246.11275	2.0
256.09692	2.9
268.73911	0.5
274.10718	4.5
278.13824	1.5
288.12323	1.7
292.11856	6.2
296.14926	0.6
306.13385	13.4
324.14435	28.3
325.14737	0.5
436.49808	0.5
458.06406	0.6
468.18881	3.9
486.19736	100.0
487.19962	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	486.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05512	1.6
56.96581	0.9
60.42172	0.8
65.03907	1.4
67.01798	0.9
67.05506	3.7
69.03418	3.5
69.07070	11.9
69.24967	1.0
69.59513	5.2
72.08170	1.1
79.05486	5.8
81.03413	1.3
81.07056	2.7
83.04560	0.9
83.04974	5.1
84.08080	1.2
85.02913	1.7
86.09697	1.8
89.03925	2.8
91.05485	1.1
93.03400	2.4
93.07054	1.9
95.04978	7.1
97.05943	1.5
97.06541	22.1
98.06864	1.1
105.07046	1.8
107.04955	2.9
109.02905	1.2
111.04440	7.4
117.03376	4.1
129.05469	4.4
134.03589	1.3
135.04413	9.5
139.03934	5.1
145.02852	10.0
145.06422	1.0
147.04424	1.2
147.06531	3.5
157.04926	2.9
163.03915	74.5
164.04231	1.6
165.05429	1.1
173.05795	1.5
176.84944	1.1
183.66611	1.0
189.05408	1.6
193.07132	7.7
213.08992	2.0
214.17885	1.2
215.10600	1.4
217.04939	3.8
217.08627	1.7
231.10051	5.1
235.09688	1.7
241.08630	4.1
247.09721	1.5
259.09671	100.0
260.09973	1.7
277.10544	1.5
354.21414	0.9
379.77039	1.2
433.14914	4.0
451.16031	4.8
455.33426	1.0
486.17511	1.6
490.94183	1.1
511.19424	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	486.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.4
55.05511	15.8
55.89197	2.2
56.96567	5.3
57.03436	5.1
67.05509	34.3
69.03428	5.9
69.07071	34.2
71.04987	2.8
71.11285	5.0
79.05483	21.3
81.03413	8.8
81.07055	29.7
83.04982	7.6
83.08626	4.1
85.02905	8.3
87.02173	2.0
91.05457	14.0
93.07040	28.3
95.01335	3.4
95.04945	10.9
95.08607	22.7
97.02892	5.2
97.06532	16.2
97.10171	13.0
101.06038	2.2
103.05451	2.5
105.07026	15.9
107.05009	4.2
107.08591	10.4
109.02858	4.1
109.06517	6.7
109.10142	11.3
111.04460	5.3
111.08076	2.7
111.11745	2.7
117.07047	4.2
119.08593	8.0
121.06477	2.6
121.10153	26.9
122.10513	2.2
123.04419	3.6
123.08049	4.6
125.06022	2.2
127.03812	2.3
128.95190	1.9
129.06996	5.1
131.08557	10.1
132.00269	2.3
133.06505	5.7
133.10130	8.8
135.04402	3.5
135.08073	4.8
135.11769	2.2
137.05975	4.5
137.09637	5.0
139.03934	3.1
139.11156	20.0
141.01846	3.1
141.90424	2.1
143.08624	3.2
145.10139	5.3
147.04395	3.7
147.08098	3.2
147.11676	3.3
149.02354	3.4
149.09650	5.7
153.28064	2.0
157.06389	2.1
159.08029	2.6
159.11707	3.3
161.09624	4.3
165.05490	7.0
165.09081	3.4
167.10710	3.8
175.11176	6.2
177.00739	2.0
177.09084	4.9
179.10739	2.6
191.10640	3.7
193.12289	5.2
195.02039	2.4
195.10242	2.6
197.01709	2.1
203.10687	33.3
203.12767	13.2
205.08606	38.7
205.10402	3.6
221.11746	29.9
223.09625	6.6
229.07610	2.5
231.10429	2.2
231.71117	2.1
239.12816	5.0
239.18042	3.6
259.09744	3.3
268.18787	2.2
285.91953	7.2
287.91730	3.9
321.20453	2.6
333.20636	6.2
351.19400	2.4
359.91293	2.1
367.18954	2.8
369.20499	4.2
387.21667	100.0
388.22086	2.8
397.19705	3.7
405.22717	78.0
415.20847	3.8
423.23773	24.9
433.22214	4.5
451.23279	19.8
454.92874	7.2
468.22165	3.7
510.82977	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	487.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.9
55.01869	4.9
55.05497	3.9
56.96560	3.4
57.03429	5.9
60.04517	3.9
61.02925	7.1
67.05500	7.7
69.03099	3.6
69.03436	32.7
70.06599	27.5
70.61501	9.9
71.04997	7.2
72.08154	10.3
73.02921	4.4
75.04507	4.0
76.04307	3.1
79.05491	12.6
81.03411	24.9
81.04572	3.0
83.04971	10.2
84.04514	7.9
84.08152	16.0
85.02911	22.4
86.09711	22.8
87.04450	4.8
87.51887	3.0
91.05469	11.2
91.59834	3.8
95.04987	14.7
97.02896	11.5
98.97588	5.1
99.04459	8.4
100.07671	4.5
105.07038	5.2
107.04948	20.0
109.02892	10.1
111.04463	4.4
113.05984	11.0
116.98647	3.4
118.06528	7.3
120.08068	4.3
121.06525	5.4
125.00004	3.4
125.02348	4.8
126.05499	6.6
127.03924	10.0
129.10249	5.2
135.03429	7.0
135.04416	86.7
137.05992	5.0
145.04959	4.0
145.07626	5.2
146.06038	10.2
147.09189	5.2
149.05968	9.8
149.09598	8.7
151.03903	14.4
153.05504	7.9
165.05562	4.5
173.07140	9.0
175.08685	9.1
177.05449	16.8
179.06973	3.4
184.07372	9.1
185.07603	4.6
188.07082	13.5
191.06476	5.8
191.08171	100.0
195.06572	12.2
205.09785	3.4
219.01743	3.6
233.09279	3.7
237.02826	6.4
263.07397	4.6
279.03842	4.0
289.11752	4.5
294.10196	3.7
307.12909	30.1
324.65210	3.3
325.13971	80.7
353.41269	4.2
355.18713	5.5
370.41956	3.5
487.18497	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	487.2157
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05235	0.3
55.05505	0.9
56.05040	0.3
56.96557	0.7
57.03426	0.6
61.02902	0.4
67.05504	1.5
69.03421	1.4
69.07059	1.5
70.06589	1.7
71.49242	0.7
72.08154	1.1
79.05492	1.3
81.03410	0.9
81.07062	2.4
83.04971	0.8
83.08610	0.4
84.04502	0.5
84.08145	1.2
84.96039	0.4
85.02896	2.2
85.06577	0.6
86.09707	2.8
91.05476	1.8
93.07042	2.2
95.04981	1.8
95.08622	1.9
97.02888	1.1
97.06541	2.4
98.97583	0.6
99.04453	0.6
102.05486	0.5
103.05466	0.4
105.07014	1.8
107.04923	0.9
107.08582	2.5
109.06498	0.9
109.10138	1.8
110.07230	0.4
110.49422	0.3
111.04477	0.8
111.08089	0.5
116.98601	0.4
117.07038	0.7
118.06540	1.1
119.08598	1.8
120.08122	0.8
121.06496	0.7
121.10154	1.3
123.08060	0.4
123.11700	1.0
123.51914	0.3
125.09629	0.5
127.03920	0.5
129.05476	0.5
129.06969	0.5
131.08568	1.5
133.10135	1.3
135.04382	0.4
135.08076	0.7
135.11696	0.8
137.05989	1.3
137.09636	0.8
139.03888	0.7
143.08566	0.6
144.08147	1.0
145.02907	0.4
145.04948	0.4
145.10110	1.3
146.06015	4.0
147.08110	0.3
147.11656	0.8
149.05974	0.4
149.09608	0.6
151.03906	0.5
151.07526	0.5
156.04765	1.7
157.10144	0.7
159.08078	0.6
159.11732	0.9
161.01152	0.3
161.06000	0.6
161.13202	0.6
163.03937	0.6
163.07629	0.6
165.05441	0.5
165.09125	2.0
165.12859	0.4
167.07135	0.6
169.10110	0.6
171.11623	0.5
173.13234	0.9
175.07439	0.5
175.11156	0.4
183.11725	0.7
185.13231	0.5
187.07605	0.4
188.07062	6.4
193.07104	0.6
193.15895	0.5
201.12648	0.5
201.16292	0.3
209.13306	0.5
211.14923	0.5
212.11086	1.4
214.23366	0.3
215.14095	0.7
225.16444	0.4
232.10490	0.5
237.02898	0.5
243.13374	0.5
253.10941	0.7
259.09833	0.9
260.10025	0.6
269.12695	0.7
280.70099	0.4
299.09781	0.4
307.19217	0.5
325.02509	0.4
325.12701	0.5
325.16238	3.2
325.19843	0.5
350.12314	1.1
423.32953	0.5
433.30908	0.4
434.15421	0.8
441.33972	0.4
451.32019	1.1
469.32764	0.6
487.21518	100.0
488.22226	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	487.215
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
65.34865	0.3
65.41320	0.3
69.85335	0.3
69.98048	0.3
71.45229	0.7
74.49149	0.3
76.81122	0.3
89.34807	0.3
97.06515	0.9
163.03899	0.6
190.74617	0.3
208.00046	0.4
260.09882	0.5
267.32843	0.3
269.12494	0.7
311.23764	0.4
325.16141	1.7
487.21515	100.0
488.21823	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	487.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01862	6.4
55.05503	13.3
56.96563	13.0
57.03428	6.8
65.03957	5.6
67.05504	29.9
69.03421	16.8
69.07077	23.5
70.06612	5.7
70.81110	12.6
71.05003	4.7
73.02893	4.4
79.05495	39.8
81.03423	9.6
81.07058	31.6
83.04981	14.6
84.96029	6.1
85.02898	20.3
86.09710	6.9
87.04498	4.6
91.05474	24.8
91.96155	4.4
93.07057	26.9
95.04961	35.5
95.08604	27.1
97.02905	7.7
97.06531	100.0
97.10174	6.4
98.97567	11.4
102.03769	5.4
103.05471	6.5
105.07027	19.4
107.04964	66.4
107.08588	27.4
109.02857	10.4
109.06537	11.1
109.10168	21.8
111.04449	13.0
111.08077	4.6
112.02199	10.6
116.01691	7.4
116.98597	6.4
117.07016	15.8
119.08608	25.5
121.06510	15.6
121.10148	14.6
123.51974	4.4
125.06033	5.2
125.09622	10.7
126.03752	22.4
129.06956	9.1
131.08559	17.2
133.06447	5.8
133.10104	11.6
135.04425	4.7
135.08023	10.0
137.05981	9.9
137.09599	12.1
139.03911	13.5
141.07111	6.6
143.08540	11.6
145.10164	10.6
146.99637	5.4
147.08047	5.4
147.11700	4.6
149.06003	8.4
149.09601	6.2
149.13239	6.4
151.03946	12.5
153.05411	5.4
157.10100	7.0
158.21375	4.2
159.08072	6.0
159.11710	11.9
161.01170	5.2
161.05928	8.2
161.09616	9.2
162.02208	5.3
163.03909	8.8
163.07536	4.3
163.79575	4.6
165.05486	71.0
165.09125	14.5
167.07054	8.8
168.08408	9.0
170.09979	8.7
173.13344	7.2
177.05524	15.1
177.09114	5.6
179.04915	5.3
182.10007	15.2
182.94508	4.5
183.11728	7.6
184.11565	5.5
195.06400	6.5
201.00772	6.2
201.09026	5.4
201.12782	6.2
205.12405	5.1
209.08121	17.7
212.11102	7.7
213.09294	4.8
215.07043	6.3
221.05957	4.7
225.09256	5.1
227.09001	6.9
229.12108	6.7
236.09000	4.3
237.02849	12.4
257.11426	4.6
259.09781	8.5
267.07819	26.0
273.12582	6.4
285.12741	26.9
291.19614	7.6
293.14093	6.2
348.19531	5.0
355.15244	5.0
469.23499	15.5
487.17490	23.9
487.24570	81.2
487.31171	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	487.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.4
55.05505	44.8
56.96577	7.7
57.03435	12.8
57.07082	8.9
61.02951	7.7
66.71035	7.4
67.05501	32.7
68.99736	6.7
69.03429	38.2
69.07076	64.1
70.06583	6.5
71.04998	29.1
71.49888	9.9
72.08154	7.0
73.02898	9.0
79.05504	37.1
81.03429	21.1
81.07058	100.0
83.04999	16.9
83.08622	23.3
85.02881	48.4
86.09717	56.2
87.00833	16.8
89.15535	7.3
91.05491	25.8
93.07047	67.4
95.04985	23.9
95.08612	73.3
97.02917	35.1
97.06534	83.8
97.10160	11.5
98.97566	11.9
99.04488	10.2
103.05480	7.6
105.01876	11.3
105.07054	35.0
105.31051	6.6
107.04979	15.6
107.08589	83.0
108.92443	7.1
109.02894	15.7
109.06512	17.1
109.10157	69.9
111.04414	13.5
111.11702	9.8
115.03944	14.5
116.98685	10.6
118.06570	11.9
119.04998	7.5
119.08590	54.5
121.06506	12.1
121.10126	41.6
123.08059	12.3
123.11712	56.9
125.05753	6.5
125.09646	13.0
125.13255	18.9
127.03922	19.2
127.11226	12.1
130.26614	7.4
131.08591	18.3
133.10133	45.8
135.11700	74.8
137.05992	8.9
137.09567	11.6
137.13277	13.0
143.08586	7.8
145.04991	10.1
145.06483	10.1
145.10103	13.2
146.06030	27.1
146.99678	6.8
147.11714	36.0
149.09651	11.8
149.13263	32.3
149.83127	6.9
151.07545	8.0
153.12732	13.6
155.31377	7.6
159.11714	16.5
163.03918	15.1
165.09126	30.5
173.09526	7.6
173.13333	10.9
188.07060	43.5
203.17981	29.7
205.19556	23.3
215.06952	11.2
221.19028	30.6
233.15504	8.0
237.02704	9.8
259.09592	33.8
267.07861	25.7
268.96564	7.0
350.12222	13.0
373.88538	9.4
377.63724	7.2
439.19885	12.6
487.15240	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3032
Annotation	Vernoguinosterol
Peak:m/z	Relative Intensity
50.96325	0.6
63.53974	0.6
67.05480	1.1
69.07066	1.5
70.18417	2.5
78.20547	0.7
79.05455	0.9
81.07039	1.8
91.05451	1.0
93.07027	1.1
95.08588	1.7
107.08557	1.0
109.58060	0.6
119.08605	1.2
121.10149	1.0
195.09879	0.8
315.19244	5.3
469.33276	1.1
487.30179	100.0
488.30765	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	487.3418
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
55.05507	2.5
56.96563	1.4
57.03417	0.7
57.07058	1.1
61.74200	0.6
67.05507	4.1
69.03415	0.8
69.07053	4.1
71.49966	0.9
78.27654	0.7
79.05493	2.6
81.07063	6.2
81.07492	0.8
83.04997	3.2
83.08610	1.4
87.04434	0.9
91.05480	3.2
93.07038	5.1
95.04952	1.8
95.08612	6.7
97.06524	1.9
97.10163	1.0
102.39057	0.6
105.07021	8.3
106.55312	0.7
107.08605	6.1
109.06519	1.7
109.10161	7.8
111.08076	1.3
117.07012	1.0
119.08581	8.6
121.06508	1.3
121.10143	6.6
123.08031	1.4
123.11711	2.0
131.08568	4.4
133.10121	7.1
135.08032	2.0
135.11661	3.1
137.09579	0.6
139.11174	1.0
141.06970	0.6
143.08572	2.8
145.10132	4.0
147.07997	1.2
147.11731	2.8
149.09612	1.7
149.13269	2.1
151.11174	1.3
155.08571	1.2
157.10139	2.8
159.08060	0.9
159.11720	2.8
161.09619	3.6
161.13268	2.3
163.11194	1.3
163.14824	1.4
165.09177	0.6
169.10141	1.4
171.11700	1.9
173.09673	1.2
173.13269	4.9
175.11256	0.9
175.14807	5.9
177.12819	0.9
177.16382	1.7
183.11700	1.4
185.13312	1.2
187.14827	6.3
189.12729	1.3
189.16382	9.9
189.17935	0.8
191.14384	1.9
191.18027	1.0
197.13281	2.4
199.14861	3.2
201.16385	1.0
205.15771	1.4
207.17392	0.9
211.14923	1.1
213.16460	2.0
215.14351	2.9
215.18024	1.0
217.15892	5.0
229.15959	1.3
231.17435	1.0
233.15419	1.5
235.17007	2.3
253.19522	2.5
257.19043	1.5
267.21210	1.0
271.20575	6.0
285.22147	1.2
293.21268	0.8
299.20364	0.9
313.21817	0.7
317.21143	1.4
325.29019	0.6
332.15643	4.8
332.65808	1.1
356.23865	0.6
369.19617	0.9
405.31525	1.7
423.32602	2.1
433.31204	0.8
441.33707	6.4
451.32288	3.0
469.33401	5.3
487.34216	100.0
488.34384	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	488.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
57.03382	0.5
58.32365	0.4
61.02901	0.9
69.03419	3.5
70.06588	4.7
70.95816	1.1
71.04955	2.2
79.05460	1.4
81.03369	0.6
82.06540	1.8
84.08116	0.5
85.02463	0.4
85.02898	5.3
87.04455	0.8
96.07604	0.4
96.08132	5.4
97.02888	2.5
98.06049	9.2
98.38288	0.4
99.04432	0.7
99.06823	1.0
100.07616	26.3
106.06550	0.8
107.04918	1.8
109.02834	0.9
112.07568	1.0
114.09169	2.2
117.06956	0.5
118.06547	0.5
119.04910	0.8
120.08051	1.1
125.02320	0.7
127.03863	1.5
129.03349	0.7
134.08716	0.6
134.09647	10.1
135.04414	2.7
139.03888	2.5
145.02841	3.5
145.04889	0.8
147.04387	0.9
150.09157	1.1
152.10654	2.0
159.04417	0.9
160.11172	2.2
161.06009	0.6
162.09081	1.6
163.03891	1.6
163.09869	1.3
170.09657	4.3
177.05443	4.7
178.12221	1.3
179.06995	1.3
180.10229	2.8
184.11177	1.1
186.09146	2.1
188.10686	6.0
189.05460	17.6
191.07002	1.2
202.12280	1.4
203.06923	0.6
206.11745	2.7
211.59131	0.5
212.10675	3.4
214.08636	1.7
218.11740	0.5
220.13370	0.6
225.12270	0.5
228.10165	1.2
229.08495	0.9
230.11772	5.4
240.10168	3.1
246.11169	0.6
248.12746	2.3
258.11240	7.2
262.14392	0.8
272.12814	2.7
276.12292	12.4
280.15323	4.4
290.13855	66.4
291.14206	2.1
293.31900	0.5
308.14905	100.0
309.15405	2.3
326.15210	0.8
371.66840	0.5
430.70538	0.5
433.06168	0.5
433.55750	0.4
452.19156	1.5
466.39722	0.6
470.20209	38.8
471.20789	1.3
488.21140	29.6
489.21393	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	489.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
54.76252	0.3
55.01875	0.4
55.05508	2.0
56.96565	0.5
57.03434	0.4
65.03922	0.3
67.05507	6.7
69.03419	1.2
69.07074	2.3
70.06590	0.5
71.04986	1.0
71.49552	0.3
72.08143	0.3
79.05503	2.0
81.03428	0.6
81.07057	5.2
83.04975	1.7
83.08611	0.7
85.02908	0.6
85.06549	2.3
86.09705	0.4
87.04465	0.4
91.05470	2.0
93.07049	2.8
95.04946	1.7
95.08612	13.7
97.02867	0.4
97.06540	3.5
97.10155	0.8
99.04445	1.1
101.06037	0.4
105.07018	1.9
107.04956	0.8
107.08586	2.6
109.02904	0.3
109.06519	0.7
109.10159	7.4
111.04456	0.5
111.08086	0.3
113.06007	2.5
113.09635	1.6
117.07011	0.7
119.08586	4.6
121.06499	0.6
121.10120	1.7
122.07297	1.7
123.08074	4.2
123.11712	1.4
125.05957	0.4
125.09601	0.7
129.07071	0.3
129.09138	0.5
131.08575	0.4
133.10144	0.9
135.04344	0.4
135.08046	0.5
135.11705	1.2
137.05972	0.5
137.09619	12.4
137.13219	0.4
139.07553	0.5
139.11168	0.4
141.09105	5.3
143.08493	0.3
145.06425	0.5
145.10132	0.9
147.08063	0.4
147.11664	0.8
149.09639	3.2
149.13231	1.0
151.03928	0.3
151.07562	3.6
151.11133	0.4
153.09053	0.3
155.08560	0.4
155.10687	0.3
157.08537	0.6
159.10208	0.7
159.11664	0.9
161.05916	0.3
161.09583	0.3
161.13269	0.8
163.03932	0.6
163.07652	0.3
163.11159	0.5
163.14789	0.4
165.09117	100.0
166.09462	0.7
167.07077	0.7
169.08615	1.1
169.10010	0.2
171.11710	0.4
173.13210	0.4
174.10356	0.4
175.11154	1.0
177.09160	0.6
179.10590	1.3
183.11694	0.3
187.09644	4.8
187.11147	0.4
187.14790	0.5
189.09152	0.6
189.11220	0.3
189.12781	1.1
189.16368	0.3
191.03461	0.3
191.10698	0.3
195.11661	0.3
199.14854	0.4
201.09155	0.4
201.11169	0.3
203.08873	0.5
203.10660	4.7
203.14314	0.6
205.12247	2.1
207.10106	1.4
241.07185	0.3
259.09662	0.9
269.07602	0.3
273.22162	0.6
291.23203	0.6
293.21213	0.7
307.22729	1.0
319.22656	0.8
325.23868	0.6
333.06424	0.4
337.23727	3.6
425.30255	0.6
443.31537	0.6
453.29492	0.3
471.31152	1.4
489.13379	1.7
489.22189	0.5
489.31836	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	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59531	2.3
53.03953	3.8
55.05514	25.4
56.09809	2.5
57.03434	5.5
57.07088	3.6
59.04994	5.2
65.03930	3.3
67.05507	100.0
69.07066	20.9
69.61386	2.6
71.04990	4.2
71.50407	3.3
79.05082	3.4
79.05499	37.1
81.03401	2.5
81.07058	55.0
83.05002	2.7
83.08618	15.5
91.05480	35.9
93.07047	43.6
95.04964	7.0
95.08614	37.5
97.10180	6.0
99.08078	3.0
105.07041	28.9
107.08589	26.3
109.10156	62.7
111.08063	3.8
117.07006	9.1
119.08581	34.7
121.10146	18.3
125.09648	4.0
129.06967	5.4
131.08559	14.8
133.10115	20.2
135.11722	12.3
143.08562	8.7
145.10126	19.5
147.11612	13.7
147.60771	2.8
149.13272	9.5
157.10138	7.1
159.11671	14.9
161.13223	8.8
171.11656	8.0
173.11731	16.2
173.13258	8.6
183.11751	3.3
185.13217	5.2
187.14825	6.3
199.14847	4.1
201.16455	4.4
211.14833	2.8
213.16541	4.0
217.15761	2.9
227.18158	3.7
259.20551	3.4
261.22137	5.8
285.22122	3.0
291.40805	2.9
317.20959	5.9
364.51654	2.8
379.29874	10.0
397.30960	16.5
415.31973	4.3
418.25891	3.0
471.34741	14.0
483.30231	3.0
489.31281	76.8
489.36060	78.6
490.30878	3.6
490.36703	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	489.3575
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.93279	2.2
53.03945	3.0
55.05503	17.2
55.91846	2.2
56.26910	2.4
57.03445	6.1
57.07076	3.0
59.05009	2.9
66.45176	2.4
67.05502	63.2
69.07060	16.5
70.56490	8.1
71.04983	3.2
79.05492	33.0
81.07053	40.8
82.68880	2.2
83.08597	12.8
91.05470	32.9
93.07046	32.4
95.04943	5.1
95.08601	31.0
97.10173	5.2
105.07028	29.0
107.08593	23.5
109.10151	35.6
111.08068	3.0
117.07003	7.8
119.08588	39.2
121.10153	17.7
123.08066	3.9
129.07034	4.2
131.08568	14.7
133.10126	19.9
135.11670	10.1
139.11153	3.8
143.08571	8.0
145.10085	19.7
147.11697	12.4
149.13249	5.2
155.08586	3.1
157.10118	4.1
159.11732	12.7
161.13272	7.1
163.14835	3.4
169.10101	3.3
171.11649	7.7
173.11726	8.9
173.13275	9.3
183.11684	5.2
185.13280	7.9
187.14790	3.1
197.13284	4.7
199.14757	3.2
213.14726	3.9
225.16304	3.3
261.22141	2.9
285.22256	4.0
299.23520	2.7
379.29993	10.7
397.31039	14.9
415.32159	3.8
433.33469	3.4
471.34683	12.4
489.36237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.37341	8.8
55.01865	8.0
55.05509	52.5
60.54573	7.1
67.05504	76.5
69.07074	53.6
69.48116	13.5
69.48520	52.8
71.04980	13.8
71.08609	10.7
71.28004	7.1
74.55275	8.5
79.05470	53.7
81.03410	21.5
81.07057	100.0
83.04953	15.1
83.08607	24.3
91.05468	58.8
93.07046	53.4
95.04951	19.1
95.08601	66.5
95.82539	8.7
97.06502	14.9
97.10155	21.2
100.12506	9.3
105.07015	52.7
107.04946	22.7
107.08585	49.0
109.06510	11.0
109.10133	30.3
111.08028	11.8
117.06987	23.8
119.08592	38.6
119.47594	8.0
121.06480	19.0
121.10135	47.8
123.11697	15.1
129.07004	17.4
131.08543	27.8
133.06525	12.4
133.10124	29.2
135.08069	12.0
135.11687	25.3
137.09578	8.5
137.13248	10.6
143.08594	20.1
145.10118	24.5
147.07977	10.4
147.11650	20.3
149.13269	17.3
151.11198	16.1
157.10129	15.1
159.11668	17.0
161.13251	19.8
171.11702	15.0
187.14803	9.5
205.15739	9.1
211.14917	8.8
213.16391	10.7
237.10861	9.6
240.87843	8.8
247.17029	8.9
251.94365	8.5
348.56616	9.7
435.32452	21.1
453.33890	37.2
471.34732	51.1
489.35843	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	489.3575
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03937	8.4
55.01874	4.8
55.05496	19.3
57.03425	7.0
65.03922	5.4
67.05505	44.7
69.03414	9.3
69.07054	31.4
69.40505	14.0
69.40919	21.3
73.02930	5.1
79.05484	38.3
79.07518	4.2
79.59263	4.0
81.03398	7.2
81.06668	4.8
81.07056	51.8
83.04959	8.1
83.08602	6.8
85.02895	7.6
91.05458	31.2
93.07038	48.4
95.04948	21.2
95.08613	38.4
97.02940	6.7
97.06535	46.2
97.10153	13.6
97.27721	3.8
103.05465	7.3
105.07009	41.0
107.04937	6.2
107.08587	72.4
108.67857	4.3
109.06495	13.9
109.10144	44.1
111.04420	7.0
111.08077	6.7
115.05424	6.8
117.06995	10.7
119.08573	47.6
121.06470	9.0
121.10134	68.0
123.08035	6.2
123.11701	23.1
125.05971	4.3
125.09607	12.0
129.07028	8.2
130.52405	4.0
131.08549	19.8
133.06509	4.1
133.10112	34.2
135.08009	10.6
135.11684	60.7
136.12125	4.2
137.05981	4.8
137.09541	5.3
137.13242	15.0
139.11145	6.4
141.06955	6.5
142.07780	5.1
143.08546	13.6
145.10120	31.0
147.08041	10.1
147.11699	51.5
149.09631	16.4
149.13261	13.1
151.07524	4.3
155.08546	7.7
157.10139	14.5
159.08092	6.9
159.11679	18.4
161.09688	4.2
161.13258	12.5
163.07529	6.9
163.11192	7.6
163.14786	7.9
165.09087	13.3
165.12717	15.1
169.03810	4.6
169.10135	16.6
171.08089	5.4
171.11696	17.8
173.09642	12.6
173.13225	19.2
175.07605	6.5
175.11102	3.8
175.14816	10.7
177.05710	4.3
177.12665	5.3
183.11691	15.4
185.13214	13.0
187.11163	6.0
187.14827	9.6
189.09103	5.9
189.16344	6.0
195.11620	5.1
197.13231	11.3
199.11150	9.2
199.14833	9.4
201.16431	4.6
203.10637	6.9
207.13808	4.5
209.13220	10.5
211.14766	10.4
213.16370	4.7
225.16347	10.2
227.17876	9.2
237.16510	6.2
239.17967	11.5
241.08569	7.5
241.19473	8.1
243.17439	4.9
245.19005	8.2
251.17961	8.1
253.19420	13.6
257.18967	16.2
259.09656	5.2
269.18872	25.9
271.20538	7.6
273.18689	5.5
281.19064	12.4
283.20551	9.7
285.18195	6.0
287.20041	5.8
289.21429	7.0
299.20093	7.4
311.12787	4.8
312.07123	4.4
349.25092	5.9
355.15445	12.2
379.26190	5.5
387.30481	6.0
393.31433	8.6
405.31485	27.6
417.31552	10.4
423.32562	64.6
435.32651	49.8
441.27908	8.0
441.33652	100.0
453.33911	41.6
471.34976	36.4
489.11609	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65581	1.1
55.05501	3.9
56.96557	2.0
57.25896	1.0
61.02925	1.3
65.03959	1.1
66.71416	1.0
67.05512	1.3
69.03442	2.3
69.07059	1.2
70.06588	3.3
71.04997	1.6
72.08137	1.5
73.02924	1.0
73.06562	2.2
79.05486	1.8
81.03411	1.6
81.07057	3.0
84.08109	1.2
85.02902	7.9
86.09700	2.0
91.05463	2.7
93.07026	2.5
95.04967	1.2
95.08600	1.5
97.02898	1.7
97.06525	3.9
98.97567	1.3
105.07057	2.0
107.08569	1.3
109.06519	1.2
119.08614	1.8
120.08093	1.7
121.02877	2.5
121.06480	1.5
124.07543	1.1
131.08606	1.0
133.10065	1.6
137.05960	1.9
145.04977	2.1
145.10114	1.4
149.02344	100.0
161.05995	1.8
163.03914	1.6
165.09123	2.2
167.03426	2.7
167.06998	1.5
175.07552	3.6
177.05450	3.6
203.06949	1.7
213.16057	1.2
215.07019	1.5
221.08096	43.7
239.09135	3.3
267.10117	1.2
293.13855	3.9
367.44342	1.2
473.14020	1.6
490.23593	4.5
491.15228	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	490.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61684	3.5
53.03938	4.7
55.01865	10.8
55.05514	63.2
56.96563	5.0
57.03440	20.0
59.04994	4.3
61.02921	3.7
67.05151	3.7
67.05506	62.6
68.05833	3.9
69.03423	9.5
69.07071	32.1
69.44282	26.6
71.05000	8.8
78.11062	3.2
79.05498	49.2
81.03419	67.1
81.07055	63.9
83.04993	29.1
83.08620	52.4
85.02898	29.7
85.06538	4.8
91.05476	43.3
93.07043	38.7
95.04972	34.0
95.08608	26.3
97.02878	11.9
97.06539	18.0
97.10162	64.0
97.10729	6.6
99.08101	4.3
105.07029	33.9
107.04945	14.3
107.08588	37.7
109.02908	4.6
109.06499	7.8
109.10145	12.4
111.04457	8.1
111.08080	11.4
114.96506	3.2
117.07024	9.3
117.99409	3.7
118.85034	3.3
119.08557	29.2
121.06497	4.3
121.10128	20.0
123.08048	9.2
125.09631	63.3
127.03900	9.0
129.07013	8.6
131.08589	16.7
133.10126	20.2
135.08064	7.5
135.11674	17.0
136.74512	3.2
137.09662	5.9
139.11182	4.5
142.07649	3.8
145.10103	11.3
147.07990	6.4
147.11687	22.9
149.09607	10.7
151.07533	3.9
151.11188	4.4
153.09108	6.8
157.10112	14.2
159.11661	5.1
161.13249	4.3
163.11159	9.6
165.12781	5.1
171.10112	3.9
175.11220	14.3
181.12184	5.0
189.11191	48.2
193.12268	53.6
195.13782	6.6
203.12866	4.8
209.11549	4.0
211.13280	100.0
227.12770	73.2
245.13858	82.6
267.15964	17.3
275.20111	23.2
285.16962	60.4
293.21045	17.6
299.12833	4.6
318.24203	5.7
328.13477	4.5
419.24304	4.4
437.25412	16.6
455.26331	78.0
490.28345	5.4
491.26498	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	490.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18737	1.8
53.03945	3.8
55.01867	8.1
55.05510	24.5
56.05036	6.6
57.03438	3.3
60.78366	1.8
61.02912	2.2
65.03947	2.3
67.05508	43.2
69.03414	9.6
69.07066	35.5
70.06599	2.7
71.04978	3.1
71.49927	2.3
73.02930	1.8
79.05494	31.4
79.82561	1.8
80.34875	1.8
81.03424	12.3
81.07058	44.5
83.04978	8.1
83.08612	9.6
85.02907	11.7
91.05487	27.0
93.07049	31.8
93.07589	3.3
95.04453	2.0
95.04973	10.7
95.08602	29.0
97.02894	3.3
97.06528	18.7
97.10181	10.3
105.07029	27.1
107.04960	9.7
107.08585	23.8
109.02862	4.2
109.06544	5.7
109.10157	17.3
111.04443	2.2
111.08073	2.3
115.05489	2.5
117.07005	8.9
119.08585	20.5
121.02857	3.3
121.06493	7.1
121.10147	13.2
123.08083	4.5
123.11690	4.8
125.09631	12.4
127.03893	5.1
128.06200	2.5
129.07022	4.2
131.08528	13.8
133.06508	2.3
133.10136	19.9
135.08041	4.6
135.11684	10.4
137.09544	5.0
138.12773	4.1
145.10156	12.7
147.11684	12.0
149.02316	11.4
149.09636	23.7
149.13258	4.7
151.11095	2.3
157.10149	3.7
159.11685	8.5
161.09637	4.5
161.13278	5.4
163.03983	2.2
163.11180	13.4
165.09067	5.7
169.10168	4.6
171.11630	3.3
173.11775	8.4
173.13278	6.7
177.12730	3.2
179.14296	5.5
181.12265	2.9
183.11664	2.0
187.11191	3.6
189.11186	10.1
189.16432	2.9
193.04953	9.3
193.12225	4.6
194.15448	8.8
205.12251	2.6
207.13837	2.0
212.16467	31.7
219.13780	4.0
227.12790	7.4
229.19577	3.4
237.07590	8.8
239.17946	3.1
247.20590	4.9
257.18973	11.0
275.20059	100.0
281.10324	4.1
292.22760	5.3
293.21057	22.3
310.23804	18.4
328.24789	4.6
385.09229	2.8
411.11273	2.3
429.11719	6.1
473.25171	2.9
476.12408	2.2
478.43060	2.3
490.19498	2.7
490.30096	3.2
491.26419	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	491.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.05505	2.5
57.03439	1.6
57.07067	1.2
59.27115	1.0
65.27502	1.0
66.39918	1.0
67.05508	6.7
67.05795	1.1
69.03426	1.2
69.07058	2.1
69.57925	7.9
71.04985	1.1
71.08643	1.8
79.05502	10.9
81.03403	2.3
81.06609	1.8
81.07056	27.2
83.08646	1.4
91.05470	4.5
93.07039	3.7
95.04966	1.7
95.08610	3.5
99.08084	4.2
105.07030	2.4
107.04960	1.5
107.08575	1.7
109.10142	3.6
110.81492	1.4
117.06992	1.3
119.08565	2.4
121.10123	2.0
129.06999	4.2
131.08557	3.9
133.10167	1.1
141.06990	1.7
142.07718	1.6
143.08557	2.1
145.10095	3.4
151.03886	1.5
153.01797	1.1
156.09363	2.5
157.10117	2.2
159.08038	3.5
163.03835	1.2
171.11674	2.7
173.09642	2.2
173.11777	1.0
179.03342	1.5
186.13998	1.7
186.74512	1.4
193.04932	3.4
201.12674	1.2
207.02921	5.7
237.09137	1.2
275.67798	1.2
293.07919	1.5
294.08841	4.4
297.07709	2.1
309.11209	22.3
319.09851	1.2
336.09802	2.1
339.12274	23.3
349.10645	2.8
351.12265	12.9
353.13568	1.4
379.15152	2.6
391.15332	1.4
393.16959	88.4
394.17163	2.5
407.18442	5.8
433.20114	4.1
449.18918	1.2
449.23862	1.5
491.24149	100.0
491.30231	14.7
491.36996	3.9
492.24570	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	491.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72610	1.9
53.03925	9.2
55.01873	32.3
55.05509	57.0
57.03432	13.1
57.07031	3.3
59.04982	8.5
65.03908	7.1
67.05506	47.3
69.03389	5.5
69.07075	15.4
69.22595	5.0
69.22997	17.3
71.01326	4.8
71.04996	15.1
73.67649	2.3
79.05492	70.0
81.03419	37.2
81.07054	63.7
83.01340	23.5
83.04985	36.3
83.08618	33.7
84.83713	2.1
85.02895	10.6
85.06544	5.4
91.04942	3.4
91.05480	50.3
93.07044	78.3
95.04978	35.6
95.08605	28.0
97.02869	5.5
97.06519	21.1
97.10165	10.8
99.04420	6.4
103.05433	3.6
105.06436	3.2
105.07035	38.6
107.04953	36.3
107.07928	2.8
107.08595	45.4
109.02848	4.0
109.05963	1.8
109.06519	22.7
109.10159	12.5
111.04398	9.5
111.08046	5.6
115.05421	3.7
117.07021	30.4
119.08585	28.4
121.06504	16.7
121.10148	30.2
123.07236	2.7
123.08058	28.7
125.05930	6.1
125.09631	13.9
129.06950	7.4
130.07764	4.2
131.08553	19.4
133.06447	4.2
133.10097	7.6
135.04366	2.6
135.08067	10.6
135.10712	3.6
135.11678	41.0
137.09543	6.7
143.08545	4.6
145.06424	4.5
145.09103	3.8
145.10124	50.6
147.04353	2.4
147.07993	8.0
147.11644	4.0
149.05995	2.5
149.09573	5.9
149.13226	2.1
153.12717	16.9
155.08498	6.6
161.09550	2.9
163.03838	4.8
163.11176	93.8
173.09596	17.2
181.12247	18.0
187.03813	2.9
189.11185	6.5
191.10733	12.6
193.12253	2.5
199.13220	3.2
205.04904	2.6
209.11722	33.0
219.13702	5.4
227.12755	23.9
271.34372	2.2
283.15201	3.3
299.12491	3.4
308.21194	2.2
308.69992	2.1
367.22559	5.5
385.23581	7.1
459.27481	14.5
473.25235	4.2
491.26108	100.0
492.26523	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	491.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01875	12.5
55.05513	70.0
56.96548	1.2
57.03420	5.4
57.07067	2.1
58.05693	1.3
59.04990	2.3
59.29316	1.2
59.96725	1.3
61.02881	1.1
65.03925	2.3
67.05506	39.9
69.03430	9.5
69.07073	20.0
69.50150	9.9
71.04974	4.2
79.05025	1.8
79.05495	43.6
81.03417	21.1
81.07056	36.7
83.04977	12.0
83.08625	44.4
85.02880	3.2
85.06512	4.2
87.04395	1.2
91.05485	27.9
93.06491	2.2
93.07047	25.6
95.04974	18.2
95.08607	13.9
97.02869	4.1
97.06538	11.6
97.10172	80.0
99.00812	1.7
99.04430	1.5
99.08038	1.7
101.09663	1.6
103.05431	1.5
105.07037	16.2
107.04960	25.3
107.07911	1.8
107.08599	34.1
109.02881	6.6
109.06519	16.4
109.10168	10.8
111.04389	3.1
111.08073	4.9
115.05441	2.9
117.07012	9.7
119.04922	2.0
119.08586	10.0
121.02834	5.5
121.06502	16.0
121.10139	7.4
123.04411	3.0
123.08027	4.4
123.11695	3.9
125.05976	1.4
125.09634	60.5
128.06190	2.6
129.07013	6.7
131.04890	4.3
131.08569	11.9
133.06461	4.9
133.10149	12.7
135.04472	1.5
135.08063	12.5
135.11699	6.4
137.05956	3.3
137.09628	3.4
139.07584	1.8
141.06969	1.6
141.91260	1.3
142.07782	2.4
143.08517	5.6
143.10664	2.6
145.06461	5.1
145.10118	9.9
147.04370	1.5
147.07999	4.0
147.11664	4.1
149.02316	2.6
149.09660	6.2
151.03889	2.8
151.11165	2.3
153.06853	1.5
153.09058	5.9
153.12729	1.6
155.08577	1.7
157.10063	5.8
159.08081	2.6
159.11642	5.1
161.05983	2.4
161.09595	5.9
163.11194	8.7
165.09123	7.2
165.42220	1.2
167.08543	1.4
169.10164	1.4
171.08026	3.2
171.10129	3.1
171.11597	2.3
173.05962	1.6
173.09616	2.4
173.13232	5.4
175.11148	4.4
179.10623	3.0
181.12233	2.3
183.11720	2.1
185.09618	1.9
189.09138	5.0
189.11218	50.7
191.10596	2.2
191.14252	9.0
193.04912	3.0
193.12155	7.2
199.11198	1.9
201.12711	3.0
203.10658	2.5
207.10129	2.0
209.11731	8.2
212.41901	1.4
219.13808	70.2
225.11163	5.4
227.10585	2.7
227.12776	33.6
231.10056	1.8
237.07475	2.4
245.11668	3.0
247.13249	3.5
263.12814	11.8
266.93005	1.3
267.15897	2.7
273.14725	1.6
279.21262	1.4
281.13690	4.0
335.19781	1.6
353.20984	4.1
355.22745	1.5
367.22617	3.9
371.22137	11.0
381.20493	5.7
385.23721	5.2
389.23291	13.1
399.21518	9.5
407.24121	4.7
411.88901	1.7
417.22467	4.9
445.25809	19.7
447.27521	2.5
458.11484	1.3
459.27380	6.7
463.26929	15.5
473.25150	15.4
491.26169	100.0
492.26831	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.6
55.01641	1.3
55.01870	15.2
55.05513	71.0
57.03420	5.8
57.07050	1.9
59.05007	2.9
65.03925	3.9
65.25356	1.1
67.05507	43.9
69.03439	10.2
69.06756	1.5
69.07073	17.7
69.97466	6.2
71.01347	1.4
71.04971	4.4
73.02273	1.2
75.64609	1.5
78.12855	1.2
79.05497	48.7
79.13496	1.4
81.03014	1.5
81.03423	23.9
81.07059	44.4
83.01328	4.5
83.04976	13.3
83.08621	40.6
84.31805	1.2
85.02876	4.7
85.06522	4.1
91.05480	32.3
92.05824	1.2
93.06511	2.3
93.07047	36.1
95.04967	21.0
95.08600	15.2
97.02870	5.7
97.06532	8.1
97.10171	67.6
97.10800	3.2
99.04439	1.7
99.08061	1.6
103.05457	2.0
105.07039	23.0
106.07352	1.7
107.04958	29.3
107.07897	2.1
107.08598	33.9
109.02896	8.9
109.06513	16.9
109.10159	11.6
111.04402	3.4
111.08085	7.5
115.05437	2.3
116.06155	1.3
117.07037	15.0
119.04917	1.4
119.08589	15.7
121.02846	4.0
121.06503	19.8
121.10149	14.3
123.04422	3.4
123.08064	6.4
123.11699	1.9
125.05978	1.8
125.09634	55.3
126.09859	1.3
128.06168	2.1
129.06999	7.8
130.07796	1.7
131.04912	2.1
131.08569	15.1
133.06454	5.5
133.10162	12.5
135.04390	4.4
135.07294	1.1
135.08072	11.8
135.11685	9.2
137.09592	3.1
139.11197	1.8
141.06970	2.4
143.08525	5.7
143.10617	1.8
145.06442	4.3
145.09285	1.2
145.10138	13.9
147.04372	2.5
147.08028	5.0
147.11630	4.8
149.05956	1.3
149.09616	3.8
149.13275	1.6
151.03835	1.7
151.07596	2.2
153.09085	5.5
153.12738	2.4
155.08505	3.9
156.80087	1.3
157.10100	5.6
159.08040	2.8
159.11661	2.8
161.09605	8.1
163.03902	1.4
163.07463	1.5
163.11200	16.6
167.08487	1.4
167.10614	1.4
171.08066	1.7
171.10139	3.7
171.11610	2.2
173.09621	2.8
173.13242	6.7
175.03897	1.3
175.11142	4.2
179.10594	1.9
181.12190	3.5
183.11604	2.0
185.09575	2.0
189.09096	5.5
189.11212	39.5
189.12720	1.6
190.93671	1.4
191.10655	4.1
191.14308	10.0
193.12225	9.0
199.11171	2.2
199.13220	1.4
201.12770	3.4
203.10638	1.6
209.11678	7.5
211.11111	2.0
215.14308	1.6
217.12129	2.0
219.13806	58.8
221.11560	1.4
223.11104	1.3
225.11195	5.5
227.10649	2.4
227.12758	28.6
237.14772	2.9
245.11667	2.4
247.13254	2.5
249.14868	2.4
257.15167	1.7
263.12799	10.8
267.15866	2.3
275.16379	4.0
276.20721	1.6
281.13843	2.8
293.17377	1.5
294.21454	2.4
299.12811	2.6
340.77484	1.4
349.21545	1.6
353.20901	3.5
363.19467	2.4
367.22531	3.9
371.22089	9.1
374.57034	1.5
381.20538	7.8
385.23486	3.4
389.23230	10.8
399.21622	9.0
407.24042	4.2
417.22552	3.0
445.25806	20.1
447.27383	3.5
455.89731	1.3
459.27457	9.7
463.26849	12.3
473.25299	14.9
491.26193	100.0
492.26550	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	491.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03062	0.7
53.03935	2.3
55.01859	3.4
55.05278	0.9
55.05514	11.9
56.96554	0.7
57.03439	1.4
57.07077	0.9
57.39237	0.7
67.05504	13.5
69.03419	3.0
69.07069	7.2
71.04984	1.8
71.49935	1.1
71.91860	0.7
79.05486	13.9
81.03413	5.3
81.07054	14.7
83.01324	1.2
83.04980	5.2
83.08616	6.1
85.02891	1.7
85.06547	2.0
91.05476	10.2
93.07045	14.9
93.86677	0.7
95.04968	7.2
95.08612	9.9
95.72596	0.7
97.02895	1.8
97.06518	5.8
97.10173	10.7
99.04448	1.5
105.07030	7.6
107.04955	7.4
107.08592	10.4
109.06492	4.1
109.10148	10.1
111.04447	1.8
111.08073	2.2
111.11687	0.7
115.05383	0.8
117.07000	4.3
119.04922	1.1
119.08585	8.5
121.06510	6.7
121.10135	5.7
122.07275	1.6
123.04384	1.1
123.08065	2.5
123.11683	2.4
125.05967	1.6
125.09612	6.4
129.06989	1.9
131.04907	1.4
131.08540	4.6
133.06448	1.1
133.10126	2.8
135.04369	1.3
135.08043	3.3
135.11693	6.4
137.06023	1.2
137.09615	11.8
137.13222	0.8
139.07579	1.7
139.11108	1.4
141.06978	0.8
142.07724	0.6
143.08542	1.7
143.10686	2.5
145.06589	0.8
145.09143	0.9
145.10123	5.7
147.08064	1.8
147.11676	1.7
149.02382	0.7
149.09598	2.4
149.13260	1.0
151.07443	1.0
151.11143	1.6
153.09056	1.3
153.12807	1.2
155.08548	0.9
157.10081	1.6
159.07964	0.8
159.11678	1.3
161.05861	0.8
161.09561	1.7
163.03838	1.0
163.11183	9.9
165.09113	100.0
166.09448	2.8
171.10136	1.0
173.09613	2.5
173.11774	0.7
173.13199	1.6
175.11197	2.1
177.09145	1.1
179.10716	1.0
181.12270	1.7
189.09178	1.2
189.11209	5.4
189.12698	1.2
191.10602	1.7
191.14311	2.0
193.12241	2.0
203.10655	1.5
203.14168	0.9
205.12250	1.7
209.11703	2.4
219.11789	0.9
219.13774	6.8
225.11171	1.0
227.12767	15.6
228.13240	1.4
263.12933	0.7
273.14603	1.2
299.12878	1.4
303.23132	1.0
321.24268	1.4
353.20593	1.0
367.22742	2.1
371.22083	1.4
385.23730	2.9
389.23309	0.9
399.21558	2.1
417.22610	1.3
445.25964	1.3
455.31479	1.5
459.27338	5.4
463.26752	1.7
473.25140	1.7
473.32230	1.0
491.25696	16.1
492.26993	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	491.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
53.81712	0.9
55.01868	5.5
55.05513	27.9
57.03427	3.7
57.07063	1.2
65.03967	1.4
67.05141	1.4
67.05505	27.7
69.03422	4.3
69.07072	11.5
71.05004	6.1
71.11185	2.2
79.05491	27.7
79.05932	1.9
81.03419	9.4
81.07057	26.9
82.94380	0.8
83.04978	7.2
83.08617	12.3
85.02903	2.0
85.06546	2.6
91.05482	19.0
93.07050	24.6
95.04980	13.1
95.08616	12.7
97.02887	2.0
97.06539	11.2
97.10166	24.1
99.04475	1.5
103.05466	1.5
105.07027	13.7
107.04965	19.5
107.08592	18.0
107.09240	1.7
109.02840	2.4
109.06536	10.6
109.10159	15.6
111.04437	1.7
111.08097	4.0
111.11694	1.0
112.69450	0.9
115.05467	1.8
116.06216	1.0
117.06999	8.2
119.08578	12.3
121.02859	1.7
121.06489	13.8
121.10141	9.1
123.04456	1.5
123.08055	5.4
123.11694	6.1
124.75005	1.0
125.06010	1.8
125.09632	15.6
128.06244	1.5
129.06985	4.1
131.04886	2.5
131.08575	10.9
133.06488	2.3
133.10115	6.5
135.04437	1.9
135.08078	5.5
135.11691	6.0
137.06030	2.1
137.09631	12.3
137.13297	1.3
139.07524	1.4
139.11177	1.9
141.06987	2.3
143.08560	2.7
143.10658	3.8
145.06471	5.5
145.10129	8.5
147.08070	3.0
147.11696	3.8
149.06029	1.0
149.09627	5.8
149.13239	1.5
151.07600	1.4
153.09050	2.0
153.12784	1.7
155.08559	3.1
157.06453	1.5
157.10098	2.8
159.08061	3.1
159.11679	1.5
161.05940	2.9
161.09601	3.4
163.03912	1.2
163.07430	1.1
163.11205	7.9
163.14905	1.4
165.09119	100.0
166.09462	3.9
167.10686	1.5
168.09305	1.0
169.10118	2.0
171.08125	1.7
171.10262	0.9
171.11728	3.1
173.09663	3.3
173.13246	4.5
175.07613	1.7
175.11238	2.3
179.10695	1.2
181.12210	2.0
183.11678	1.1
185.09590	1.6
187.11250	1.1
189.09254	2.2
189.11244	12.6
189.12762	1.8
191.10655	3.1
191.14360	2.7
193.12309	3.3
197.09767	1.2
197.13293	1.0
199.11293	2.2
199.13274	2.2
201.12791	1.4
203.10709	2.5
205.12343	2.3
209.11635	5.0
215.14272	1.5
217.12199	1.4
219.13805	15.3
221.11726	1.6
223.13168	1.1
227.12729	10.7
233.15358	1.5
237.14856	1.3
237.66656	0.9
247.13312	2.1
249.14909	2.8
263.12839	3.0
265.14279	1.7
267.16043	1.3
273.14871	2.9
275.16397	2.4
303.23395	1.3
319.24326	1.5
321.24103	1.4
349.21585	2.6
367.22672	9.0
371.22162	2.4
381.20514	2.3
385.23807	7.8
399.21655	2.6
403.24719	2.3
417.26794	1.3
441.26456	1.4
445.26065	4.1
455.31647	1.6
459.27423	21.2
460.27814	1.7
463.26587	2.4
473.25284	3.7
473.32343	1.4
491.26236	15.7
491.30481	14.1
492.26761	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	492.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	4.8
62.73495	4.2
69.03420	12.2
71.49083	5.9
73.02906	4.2
73.95200	3.9
85.02911	25.5
91.05495	3.5
97.02911	10.9
98.97552	4.2
103.03964	6.9
135.04437	8.3
139.03906	6.9
143.04936	12.7
143.25587	3.8
145.04921	3.8
147.04379	18.5
161.05963	26.7
163.02596	6.5
163.03906	82.7
171.04416	5.2
175.03961	9.7
177.05484	4.8
185.06003	7.6
187.03906	4.0
189.05481	39.6
193.05008	27.6
207.06592	8.5
213.05492	14.6
217.05017	18.7
231.06494	14.3
235.05965	35.9
241.04915	5.7
249.07515	4.0
259.06046	20.5
277.06979	20.6
286.87451	3.8
295.08136	100.0
295.11459	7.9
492.18799	4.7
514.05878	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	492.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01878	1.1
55.05515	1.5
57.03439	1.3
57.07073	1.0
58.99588	1.8
60.04527	1.2
61.02919	1.1
67.05512	1.6
69.03430	41.3
69.07067	3.1
70.06599	1.5
70.84431	1.2
71.04998	1.8
72.08162	0.7
73.02931	1.0
76.02230	3.6
79.05488	2.7
79.38509	0.5
81.03430	1.4
81.07068	5.0
83.04984	3.3
83.08629	0.8
84.08125	1.0
85.02904	10.1
85.06569	2.3
86.99078	0.9
91.02434	0.5
91.03990	0.6
91.05498	2.1
93.07047	3.9
94.02914	0.5
95.04970	0.6
95.08605	6.8
97.02882	3.0
97.06533	2.7
99.04476	0.5
100.02176	0.6
104.10757	1.4
105.00103	1.2
105.07024	4.3
107.04967	1.8
107.08598	9.8
109.02876	1.4
109.06512	3.8
109.10149	2.6
110.06029	0.6
111.04474	0.7
111.08079	2.9
112.11267	0.8
117.07049	0.7
119.04885	0.6
119.08580	4.0
120.08125	1.5
121.06481	1.5
121.10151	13.1
122.02731	22.2
123.08060	2.2
123.11696	8.2
125.09630	18.7
127.03911	2.3
129.07051	0.6
129.10246	0.6
131.08577	5.1
132.08105	1.3
133.10110	3.4
135.08058	11.4
135.11700	4.9
135.44234	0.5
143.08583	0.7
144.09370	0.6
145.04958	1.8
145.10115	3.2
145.16725	0.5
147.11644	2.6
149.09622	9.4
149.13277	3.2
150.09140	1.6
150.10329	0.9
151.11215	0.9
153.09102	6.5
158.10878	2.8
163.03891	1.2
163.11166	1.9
163.14813	4.6
165.12718	2.9
167.05276	1.0
167.10693	2.1
171.07813	0.6
173.13272	19.7
179.03444	1.1
191.14311	74.9
197.09935	0.6
205.04799	0.7
209.15369	100.0
210.15715	1.6
223.11481	3.8
241.12556	5.9
248.05931	1.0
330.17279	7.0
459.01746	0.6
474.21619	0.8
492.23251	2.1
493.16644	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	492.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.4
53.20673	4.0
55.01867	23.7
55.05509	64.0
56.05035	13.7
56.96550	4.9
57.03429	11.3
59.04998	6.1
59.06697	4.1
59.82051	4.2
61.02934	8.7
67.05504	100.0
69.03426	17.6
69.07071	35.3
69.37603	14.0
69.38018	23.7
71.04993	12.7
71.08632	51.0
79.05491	76.9
79.34528	4.6
81.03416	75.3
81.07053	87.1
83.01383	4.4
83.04986	28.6
83.08624	39.5
85.02897	33.6
85.06522	7.3
91.05479	73.7
93.07043	84.1
94.07350	4.7
95.04969	51.5
95.08607	57.5
96.08957	6.0
97.02884	17.7
97.06527	29.5
97.10168	29.5
99.08086	56.2
105.07034	61.4
107.04939	25.5
107.08580	45.0
109.02857	5.9
109.06499	14.1
109.10181	36.4
110.20873	5.2
111.04436	7.7
111.08057	10.7
117.06997	15.8
117.11366	4.4
118.17537	4.6
119.08585	46.3
121.06493	12.1
121.10155	29.3
123.08034	12.6
123.11667	10.1
124.08301	4.1
125.09634	29.7
127.03906	15.4
128.06186	4.7
129.06990	17.3
131.08566	18.1
132.08835	5.4
132.33203	4.8
133.06459	7.6
133.10118	26.3
135.08037	13.1
135.11697	29.2
137.05943	6.4
137.09648	5.1
139.07613	5.8
140.14363	6.9
143.08612	7.8
145.04874	6.8
145.06453	6.0
145.10104	31.6
147.04369	4.9
147.11693	16.7
149.09579	11.9
149.13281	9.7
151.11169	42.5
153.12674	9.9
157.10147	8.0
159.11670	9.1
161.09532	4.9
161.13257	31.0
163.11198	47.7
164.11552	5.1
165.09154	5.7
165.12750	8.5
166.46028	4.6
173.09625	6.9
173.11719	10.1
173.13147	5.9
175.11218	12.8
179.14334	23.8
181.12277	11.1
188.29768	4.5
189.11250	24.0
191.10616	9.8
193.12236	27.9
194.15424	14.6
205.12056	5.6
209.11710	14.4
211.13255	24.2
212.16443	54.6
227.12675	20.7
241.19499	6.9
259.20468	14.2
267.15961	12.6
277.21625	94.0
283.15402	9.3
294.24139	8.8
295.22693	42.3
303.18597	4.6
312.25330	16.2
419.23962	5.1
457.26440	6.9
474.25272	6.1
475.26831	19.7
492.25940	25.6
493.28244	49.7
513.89441	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	493.2796
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.81219	1.4
53.03944	7.2
55.01646	1.2
55.01876	13.3
55.05250	2.1
55.05511	37.7
57.03438	15.0
57.58444	1.4
58.61746	1.3
59.04986	4.3
65.03934	2.7
66.82328	1.3
67.05505	37.5
69.03419	6.1
69.07069	13.7
70.04037	7.3
71.04991	9.7
76.32793	1.3
79.05496	48.6
81.03419	83.3
81.07055	48.5
83.01332	10.0
83.04980	27.6
83.08619	37.0
85.02905	35.9
85.06535	3.3
91.05479	48.5
92.93752	1.5
93.07049	43.3
95.04391	2.9
95.04969	41.5
95.08607	20.2
97.02919	7.5
97.06541	10.9
97.10168	6.2
99.04473	2.1
103.05467	2.4
105.04516	1.6
105.07030	33.5
107.04943	14.4
107.08595	22.3
109.06528	11.8
109.10163	5.8
111.04433	9.6
111.08089	14.4
113.06012	2.5
115.05437	1.8
117.07015	13.0
119.08582	26.8
121.06497	6.4
121.10139	22.5
123.04346	2.2
123.08082	12.3
123.11694	3.3
125.06007	2.6
125.09624	4.3
129.06993	13.2
130.07799	2.7
131.04904	1.6
131.08563	15.8
133.06499	3.6
133.10115	9.8
135.08075	2.6
135.11679	13.1
137.09631	3.2
139.07512	1.5
142.07762	2.2
145.10123	21.1
147.08046	6.4
147.11665	13.1
149.09599	8.0
153.12732	5.4
155.58604	1.4
157.10136	12.6
163.11185	34.9
165.12755	3.1
169.55640	1.4
173.09633	4.8
175.11185	18.0
175.93573	1.2
181.12216	9.5
189.11237	2.0
191.10699	6.2
193.12239	68.1
209.11687	12.5
211.13287	69.0
227.12762	9.4
249.14850	3.1
267.15939	5.4
283.15384	4.0
383.22260	4.3
401.23401	2.1
457.25949	2.0
475.26944	4.8
493.27951	100.0
494.28229	2.1
507.37708	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	493.2795
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.39586	1.3
51.86598	1.6
53.03937	6.4
55.01872	13.3
55.05509	37.7
57.03436	15.5
59.04993	4.9
60.06535	1.6
61.25264	1.4
65.03936	2.5
67.05505	42.8
69.03420	5.3
69.03960	1.4
69.07057	9.9
69.99918	6.8
71.01352	1.9
71.04998	9.5
79.05491	51.4
81.03416	71.7
81.07055	46.1
81.07537	2.3
83.01340	8.5
83.04979	27.4
83.08618	33.4
85.02901	35.9
85.06550	2.1
89.19919	1.2
91.05481	43.1
93.07040	49.8
93.79274	1.5
95.04965	36.1
95.08591	18.0
97.02892	6.9
97.06522	9.3
97.10165	7.4
98.20850	2.0
99.04443	2.7
100.61156	1.7
105.07033	33.4
107.04948	16.4
107.08588	24.6
109.06499	10.6
109.10166	9.4
111.04438	7.0
111.08086	15.9
115.05443	3.1
117.06998	11.5
119.04948	1.7
119.08578	28.6
121.06513	7.1
121.10133	19.5
123.04437	1.6
123.08071	11.6
123.11672	2.0
125.05986	2.1
125.09602	4.4
128.06282	1.5
129.06979	11.3
130.07780	2.2
131.08572	11.8
133.06505	2.9
133.10161	9.9
135.08028	2.3
135.11687	15.1
137.09602	3.4
139.11195	4.3
142.07800	2.0
143.08565	2.3
145.02777	1.5
145.10107	21.6
147.08044	6.2
147.11679	13.4
149.09616	8.7
153.12740	5.4
157.10118	14.4
159.08124	1.8
163.03917	4.7
163.11198	34.7
165.12807	3.7
173.09662	5.4
175.11189	15.0
181.12215	5.7
189.11232	2.2
191.10661	5.2
193.12231	65.2
209.11726	10.6
211.13283	63.8
212.13748	1.5
227.12749	8.2
267.15970	5.8
283.15427	4.0
301.14392	8.3
338.12857	1.5
350.83157	1.4
355.22467	1.4
383.22134	6.2
401.23083	3.3
475.27054	7.0
493.27939	100.0
494.27795	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	493.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01867	3.2
55.05513	20.8
57.03439	9.2
57.07074	47.7
65.03963	1.9
67.05505	59.8
69.03421	2.3
69.07069	20.4
69.21404	15.1
71.01350	2.6
71.04990	4.7
71.08252	2.2
71.08633	36.4
72.52254	1.4
73.02905	1.6
79.05498	37.5
81.03410	9.6
81.07056	40.4
83.04989	7.4
83.08619	18.9
85.02892	3.2
85.06544	4.3
85.10178	17.7
91.05478	18.1
93.07046	42.1
95.04986	6.3
95.08610	35.5
96.32378	1.5
97.06549	8.2
97.10158	13.2
99.08067	2.7
105.07028	5.2
107.04958	3.3
107.08594	27.2
109.02878	1.9
109.10162	21.6
111.04456	2.5
111.11706	2.6
112.90298	1.5
117.06995	4.3
119.08578	5.0
121.10126	5.6
123.11712	5.7
125.09559	2.4
133.10178	1.6
135.11690	49.8
137.13275	3.2
137.93712	1.3
145.10139	7.3
153.12856	1.9
163.11191	6.9
181.12234	12.1
193.12268	3.3
199.13303	2.2
220.71573	1.4
233.65366	1.3
239.23682	10.9
350.89413	1.3
493.32022	3.7
493.38861	100.0
494.39227	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	494.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26908	1.1
53.03941	1.9
53.90847	1.2
55.05504	4.7
57.03432	10.5
61.02917	1.3
64.51075	1.2
67.05500	5.2
69.03426	2.7
69.07069	16.8
70.68331	3.5
71.04991	78.2
73.02914	2.5
75.04469	4.5
79.05497	3.8
80.05832	1.5
81.03416	3.2
81.07060	6.8
83.04980	16.5
83.08616	1.8
84.33863	1.3
85.02905	100.0
86.09689	1.5
87.04494	1.4
91.05460	3.2
93.07027	2.9
95.04985	3.8
95.08598	4.0
97.02872	5.4
97.06522	4.3
99.04432	1.9
104.10736	2.1
105.07039	1.8
107.04957	2.3
107.08580	2.3
109.06474	1.8
109.10159	3.4
111.04445	9.3
119.08583	1.8
121.10123	2.1
123.11691	10.0
125.09599	1.3
127.03895	4.3
129.05476	54.0
133.10181	1.7
137.06013	1.5
142.19980	1.3
145.04988	2.5
146.08090	1.8
147.05450	2.2
147.06519	22.3
147.11673	2.5
148.84770	1.2
151.11179	16.9
152.25490	1.3
157.10130	1.9
163.11078	1.3
164.09163	1.5
165.37781	1.2
168.13702	1.8
182.63205	1.3
184.07359	1.5
233.15329	2.1
239.43382	1.3
255.08669	2.6
269.48795	1.2
297.16916	12.7
427.39185	1.4
476.27133	2.8
494.21872	2.6
494.28314	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	495.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.8
56.96534	0.4
57.03405	0.7
57.80135	0.3
63.21814	0.3
67.05470	1.1
69.03400	0.9
69.07046	0.3
69.53542	0.5
69.53947	2.2
70.06563	1.1
71.04984	0.4
73.02914	0.4
79.05460	0.9
81.07027	1.4
83.04947	0.6
84.08134	0.4
85.02872	1.3
86.09669	0.7
91.05470	0.7
93.07018	0.8
95.04971	0.6
95.08601	0.6
97.02863	0.6
97.06512	0.8
97.10129	0.4
98.97541	0.4
105.07012	0.6
107.04901	0.6
107.08545	0.4
109.06483	0.6
109.10143	0.3
111.27068	0.3
113.05768	3.6
115.09492	0.3
119.08569	0.7
121.10106	0.7
133.10094	0.4
137.05956	1.1
140.68869	0.3
145.10028	0.6
171.00554	0.8
173.09642	0.4
179.40041	0.3
183.23230	0.3
184.06021	1.6
219.13815	0.4
237.02812	0.4
239.48128	0.4
257.09961	7.7
261.07339	57.8
262.07867	0.6
275.10941	1.0
281.30786	0.3
298.17447	0.4
333.13107	1.2
423.12665	0.5
467.91861	0.4
495.18365	100.0
496.18924	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	495.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51089	0.2
54.93666	0.3
55.05459	0.4
56.96507	12.9
56.96817	1.4
57.03389	0.4
58.44381	0.2
67.05449	0.8
68.68201	0.2
69.03381	0.5
69.07017	0.6
71.04951	0.4
71.48943	0.6
71.95218	0.4
74.97552	0.5
79.05432	0.7
81.06989	1.2
82.94153	0.3
83.08569	0.3
84.08068	0.2
85.02860	0.6
91.05464	0.6
93.06965	1.0
95.04927	0.6
95.08578	0.6
97.02860	0.3
97.06478	0.6
97.96794	0.3
98.21367	0.3
99.08062	0.3
105.07008	0.6
107.04909	0.4
107.08536	0.6
109.06475	0.5
109.10031	0.4
111.04396	0.3
119.08536	0.6
120.99703	0.3
121.06415	0.3
121.10117	0.6
128.98506	0.3
131.08479	0.4
133.01654	0.4
133.10098	0.4
134.16650	0.3
135.08076	0.4
137.02686	1.0
139.00583	0.9
141.02148	0.5
145.01752	0.3
145.10040	0.3
149.09489	0.3
151.00662	0.4
153.01819	1.3
155.03804	1.2
157.01770	2.2
159.03288	0.5
161.84581	0.3
165.02104	0.3
165.09070	0.5
167.03763	1.2
169.01691	1.0
169.05251	0.3
171.03305	1.7
173.04881	0.7
175.02737	0.9
177.04300	0.3
181.05313	0.3
183.03241	1.0
185.04866	4.9
187.02686	0.6
189.04286	1.1
191.14311	0.3
193.05341	0.5
195.03133	0.3
195.06750	0.3
197.04848	0.7
199.06381	1.0
201.04329	0.7
203.05917	8.6
211.06412	2.1
212.04434	0.3
213.07906	0.7
215.05783	0.4
217.07500	0.7
219.06879	0.4
219.13737	0.3
221.06914	1.2
221.08723	0.6
223.06450	1.6
225.08022	0.5
229.07529	1.5
231.06972	2.0
237.07954	1.7
239.09497	1.1
241.07562	1.4
241.11047	0.5
249.07979	4.2
255.09102	1.1
257.10565	0.5
259.09653	0.3
267.09048	53.3
268.09409	0.6
285.10104	100.0
286.10379	1.7
290.10660	2.3
303.11182	7.7
308.11694	6.0
333.20667	0.4
337.16513	0.3
352.05548	0.3
361.26950	0.3
377.98697	0.3
477.15469	0.7
477.21838	1.4
492.54974	0.3
495.16650	0.6
495.22684	4.1
495.28336	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	495.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
53.56849	0.4
55.01870	1.4
55.05515	3.5
56.74621	0.5
56.96562	1.3
57.03429	1.9
61.02911	1.8
67.05503	6.6
69.03419	1.7
69.07052	3.1
69.26691	5.3
69.46198	0.5
71.04969	1.6
73.02897	0.6
79.05492	7.1
81.03424	4.7
81.07059	7.2
83.04965	2.0
83.08603	2.3
84.48428	0.5
85.02915	3.6
85.06554	0.7
91.05483	5.1
93.07048	6.0
95.04958	3.5
95.08595	3.9
97.02898	1.5
97.06517	2.3
97.10176	2.6
98.21646	0.9
103.04015	0.5
105.07024	4.4
107.04958	1.8
107.08614	3.6
109.06529	1.5
109.10175	2.6
111.04447	0.6
111.08068	1.6
117.07006	1.5
119.08569	3.8
121.06551	0.6
121.10151	3.0
123.08017	1.0
123.11707	1.5
125.09612	1.9
129.07011	1.2
131.08609	2.6
133.06509	0.5
133.10129	2.2
135.08076	1.2
135.11687	1.8
137.09575	0.8
145.10098	1.9
147.08054	0.6
147.11679	2.2
149.09618	1.2
149.13210	0.7
155.08566	0.8
157.10133	1.0
159.11725	1.1
163.11150	1.7
165.05472	0.7
165.09117	0.6
165.12839	0.8
169.08621	0.6
171.11656	0.8
173.09584	0.5
173.13229	0.7
175.11293	0.6
177.05463	0.5
189.11200	1.1
191.10735	0.7
193.12210	3.0
209.11554	0.9
211.09413	4.6
211.13303	2.0
219.13799	0.7
227.12698	1.2
251.12674	0.8
267.11954	1.3
267.15933	1.6
269.12408	3.2
285.12146	0.7
285.17010	1.2
307.15192	5.1
333.20410	20.3
333.24149	1.0
367.22394	0.7
385.23447	0.6
403.24719	0.9
441.34167	0.6
459.27307	1.1
467.20102	0.5
477.28323	1.7
495.25540	100.0
496.25687	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	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.03953	5.4
55.05515	26.4
57.03432	18.8
65.03943	2.6
67.05508	39.6
68.05852	1.2
69.03428	7.1
69.07063	9.9
69.43499	8.2
71.04993	9.9
79.05492	45.4
81.03419	99.8
81.07058	48.9
83.04982	21.7
83.08622	37.6
83.09132	1.3
85.02907	51.4
85.06541	4.1
87.04465	1.1
91.05485	55.4
93.07047	32.4
95.04969	46.2
95.08605	18.2
97.02901	5.9
97.06526	7.4
97.10159	5.1
99.08096	1.6
103.05421	1.1
105.04539	1.4
105.07034	38.9
107.04958	11.8
107.08601	13.1
109.06506	10.9
109.10162	6.2
111.04437	5.0
111.08085	18.8
113.06010	4.3
115.05483	1.5
115.64043	1.1
116.06227	1.2
117.07008	2.9
119.07742	1.8
119.08576	31.5
119.09382	1.7
121.06510	3.0
121.10152	17.1
123.08070	4.6
123.11734	3.0
125.06033	1.3
125.09641	3.5
129.07016	16.0
131.08571	18.6
133.06482	3.6
133.10146	18.3
135.08052	1.6
135.11734	1.7
137.09621	2.4
139.07489	1.3
142.07773	6.1
145.10132	4.0
147.07988	5.8
147.11697	24.5
149.09610	9.0
151.07512	2.0
151.11211	1.8
157.10127	19.8
163.11238	2.8
165.12788	3.9
175.11197	24.8
175.12592	2.0
189.11346	1.5
193.12253	98.7
194.12567	1.4
211.13295	100.0
267.15967	8.8
285.17068	3.9
320.24374	1.2
385.23877	1.8
402.58035	1.2
433.25909	1.6
436.40741	1.3
459.27725	2.5
477.28442	4.4
495.29596	78.2
496.29910	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	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.9
53.03943	4.2
55.05511	20.3
56.96578	1.4
57.03436	16.6
57.07076	1.1
59.05008	1.7
65.03950	2.4
67.05505	39.7
69.03426	6.1
69.07066	9.2
69.07383	0.9
69.43623	4.4
69.44041	2.0
71.01369	0.7
71.04990	9.2
79.05494	39.5
80.05824	1.1
81.03417	81.2
81.07056	39.8
82.03790	1.7
83.04976	19.4
83.08620	30.2
85.02905	48.0
85.06567	3.5
91.05481	49.5
92.05827	0.8
93.07044	26.5
95.04967	40.1
95.08604	17.0
95.09178	0.9
96.08967	0.9
97.02914	3.4
97.06525	6.5
97.06998	0.6
97.10182	6.4
99.04501	1.5
99.08128	1.8
103.05489	1.1
104.58930	0.9
105.07034	35.3
107.04948	9.3
107.05520	0.9
107.08596	10.4
107.58702	0.8
109.06504	5.8
109.10144	5.3
111.04443	4.2
111.08080	17.4
111.08807	1.3
113.06008	4.0
115.05506	3.1
117.07054	3.7
119.04948	1.2
119.08580	29.6
121.06567	3.0
121.10137	14.2
121.10924	1.0
123.08089	3.7
123.11769	2.5
125.06046	1.0
125.09668	3.5
127.07548	1.3
128.06261	1.5
129.07001	14.5
131.08580	17.3
133.06514	3.4
133.10129	11.8
133.10977	1.0
135.08095	1.5
135.11732	1.3
137.06052	0.8
137.09656	3.5
137.13219	0.8
142.07813	3.6
145.10193	3.1
147.08099	3.5
147.11688	20.2
147.12787	1.4
149.09619	9.5
151.11235	1.0
157.10139	18.3
157.11346	1.2
163.11197	1.3
165.12743	4.1
175.11198	20.2
176.11557	0.9
189.11209	1.4
193.12244	79.7
194.12741	2.2
195.11685	0.9
211.13290	100.0
212.13748	2.8
227.12868	1.0
249.14977	1.1
267.09189	1.4
267.15958	8.8
285.10135	2.3
285.16919	4.2
315.23190	0.7
385.24219	1.8
433.26450	1.0
459.27811	3.3
477.29129	5.3
495.29776	75.8
496.30023	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	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29871	1.4
53.03943	6.0
55.05509	30.9
56.96553	2.2
57.03433	16.2
57.07087	2.6
61.30419	1.5
65.03939	3.3
67.05504	49.8
67.05852	3.3
69.03434	11.0
69.07069	19.8
70.06589	4.9
71.04987	12.7
71.49480	2.0
73.02915	1.5
79.05495	57.6
81.03419	98.5
81.07056	56.6
82.03757	1.6
83.04981	22.8
83.08620	33.2
85.02910	52.1
85.06551	4.0
86.09695	2.9
91.05481	60.6
93.07045	39.7
95.04966	48.2
95.08607	26.5
95.09196	2.2
97.02911	6.8
97.06520	16.4
97.10182	6.9
99.04456	2.7
99.08161	2.9
100.11264	7.9
103.05470	2.6
105.07031	43.0
105.07713	2.8
107.04958	16.9
107.08602	21.1
109.06524	21.3
109.10155	10.2
111.04456	3.9
111.08086	20.1
113.06025	6.5
115.05482	3.2
117.07042	6.9
119.08583	29.2
121.06543	8.7
121.10151	25.6
123.08029	8.1
123.11738	4.9
125.09621	7.8
128.06187	3.5
129.07001	17.8
131.08559	24.6
133.06506	6.2
133.10112	17.6
135.08081	7.6
135.11745	3.8
137.09630	5.9
139.11221	2.4
141.07014	1.9
142.07800	5.6
143.08603	2.9
145.06439	2.0
145.10164	5.4
147.08090	4.7
147.11676	24.3
149.06001	1.6
149.09622	13.0
149.13290	2.5
151.07556	1.9
151.11194	2.2
153.01863	5.3
155.06076	1.7
157.10141	20.6
159.08150	1.6
159.11719	2.7
163.11261	4.3
165.05534	1.9
165.12794	4.9
167.07014	2.3
168.13914	2.1
171.08252	1.8
173.09653	2.0
173.13202	2.0
174.21190	1.4
175.07765	1.5
175.11174	24.1
179.10788	1.6
185.09758	1.9
185.11774	1.8
187.11186	2.4
189.11217	2.1
191.14374	4.4
193.12247	86.7
194.12724	3.1
210.15024	2.8
211.13278	100.0
212.13722	2.0
219.13820	10.7
227.12836	2.0
259.15393	8.1
263.34015	1.6
267.15918	7.7
285.16861	3.4
293.17639	5.6
295.20419	2.0
333.20245	1.8
359.22250	1.9
367.22455	3.4
385.23734	6.4
403.24832	4.5
417.77939	1.7
449.28442	1.9
456.28473	1.7
459.27597	5.9
477.15308	3.2
477.28220	9.5
495.16843	5.9
495.29657	87.8
495.38806	4.6
496.30258	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	496.3398
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05495	0.5
56.05048	1.0
57.03433	0.5
57.06808	0.2
57.07078	2.9
58.06580	1.2
59.07386	0.3
60.08161	17.3
67.05500	0.8
69.07050	0.4
69.98606	0.4
69.99016	0.6
70.06571	0.2
71.07370	6.8
71.08615	2.0
80.46633	0.2
81.07047	0.8
83.08625	0.6
85.10188	0.9
86.09702	51.6
87.10002	0.2
87.24510	0.2
90.78989	0.2
95.08605	1.1
96.65073	0.2
97.10211	0.2
98.21385	0.2
98.98464	4.0
104.10738	100.0
105.11069	0.4
109.10152	0.3
117.40692	0.2
124.99997	28.5
136.33337	0.2
138.78964	0.2
143.01033	0.4
163.01588	0.8
184.07330	95.9
185.07703	0.3
243.86848	0.2
258.10968	1.4
313.27350	2.2
419.25342	0.4
478.32919	8.9
496.33945	29.6
497.34082	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	496.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.2
56.05038	0.5
57.03441	0.2
57.07077	0.9
57.82793	0.2
58.06632	0.5
60.08166	5.9
67.05499	0.3
69.07072	0.2
69.53136	1.0
71.07377	2.9
71.08646	0.4
74.32571	0.2
81.07085	0.3
83.08610	0.3
85.10184	0.4
86.09710	30.5
90.52900	0.1
95.08603	0.5
97.10194	0.2
98.06102	0.2
98.98476	2.7
104.10746	3.4
109.10140	0.2
125.00009	20.0
126.09145	0.3
143.01076	0.3
154.12245	0.2
184.07347	100.0
185.07674	0.4
198.60475	0.2
240.18234	0.2
249.64275	0.2
258.11008	0.3
313.27316	0.4
360.22900	0.2
409.54034	0.2
478.33005	0.9
478.43506	0.3
496.34229	2.3
496.45020	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	497.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
53.23520	0.3
55.01876	0.3
55.05502	0.3
57.03434	1.1
60.19500	0.2
61.02933	1.3
65.03941	1.0
67.05496	2.4
69.03423	3.4
69.07068	51.6
70.07407	0.3
71.04997	0.3
73.02921	0.3
79.05506	1.1
80.05026	0.5
81.03415	2.7
81.07047	3.2
82.03757	0.6
82.06570	0.3
83.01324	0.3
83.04984	0.4
83.08612	0.7
85.02397	0.4
85.02907	7.5
91.05492	0.6
92.05013	0.8
93.05795	0.5
93.07050	0.5
94.06568	2.5
94.77962	0.3
95.04955	1.3
96.05331	0.2
96.08129	0.3
97.02901	2.9
97.06530	9.7
99.04449	0.3
105.07007	0.4
106.06581	0.5
107.08595	0.3
108.04501	0.6
108.08078	0.2
109.02889	0.6
109.06513	0.8
112.07594	0.3
117.07037	0.3
117.90880	0.2
119.03667	0.4
120.08075	0.3
121.05247	0.7
121.10125	0.3
122.06023	5.8
124.07582	1.8
125.06010	1.0
126.09151	0.4
127.03925	1.1
130.06520	0.4
131.07295	0.6
132.04433	0.3
132.08153	0.3
134.06001	0.3
136.07684	0.3
137.05989	2.0
138.05510	4.3
138.09145	0.3
140.07051	4.9
142.08633	0.7
144.08092	1.0
145.05009	0.8
145.08878	2.1
145.10063	0.5
146.09639	2.4
147.06816	0.6
148.04004	0.8
150.05501	61.8
151.05844	0.5
152.03442	0.6
152.07132	0.3
157.08871	1.2
157.10037	0.3
158.09668	0.8
159.10463	1.0
160.07562	0.8
160.11224	0.5
161.08357	3.5
162.09108	2.5
163.05057	0.6
164.03452	0.8
164.07091	0.6
165.04199	0.6
166.04996	16.3
167.07304	0.7
168.06583	1.0
172.07520	0.9
172.11215	2.9
173.08334	1.3
173.09619	0.4
174.09184	1.2
174.12781	5.4
175.09973	0.3
176.03426	4.4
176.04831	0.5
178.05014	1.5
182.04492	0.3
182.09622	0.4
184.11357	0.4
185.08350	1.0
186.05501	0.4
186.07616	1.1
186.09076	0.4
188.07042	0.4
188.10730	1.4
189.11557	0.3
190.08621	0.8
190.12257	5.5
192.02957	1.0
193.12277	0.7
194.04506	2.5
194.12589	0.7
198.07648	0.5
198.09219	0.9
199.06244	0.4
200.07077	1.0
200.10739	5.1
202.12260	6.4
204.06587	0.4
204.10249	0.6
205.07265	0.4
206.08069	0.3
206.11720	0.5
213.07910	0.3
213.10240	0.7
216.10201	3.3
218.08177	1.0
218.11754	18.7
225.10356	0.5
226.08653	0.8
227.11646	0.5
228.10201	11.4
229.13361	0.9
230.11823	0.6
234.11240	3.2
241.09863	0.6
243.11337	1.5
244.06062	0.4
244.09781	2.0
245.12842	1.3
246.11253	18.2
253.09744	0.3
254.08099	0.5
255.11305	0.8
256.09814	1.3
257.09219	1.3
259.10785	0.3
261.08655	0.4
261.12381	0.8
262.10767	1.1
267.16022	0.5
268.16138	0.4
269.09171	0.3
270.09949	0.3
271.10757	3.6
272.09177	3.1
273.12378	2.4
274.10773	2.3
285.17004	0.7
286.17331	1.3
287.10251	7.1
288.08405	0.4
289.08554	0.5
289.11804	8.1
290.10117	1.7
291.13351	0.9
299.10291	5.1
317.11310	29.3
318.09512	1.9
335.12360	100.0
336.12573	1.2
497.17639	1.8
497.26651	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	497.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
53.79083	0.5
54.02294	0.5
55.01860	0.7
55.05513	0.8
56.11163	0.4
57.03429	0.9
61.02906	1.6
65.03923	1.2
66.04717	0.5
67.05492	2.3
68.12775	0.4
69.03429	3.7
69.07069	44.7
70.06572	1.4
71.05006	0.5
71.48997	0.7
72.08147	0.7
73.02937	0.9
79.05485	0.9
80.05006	1.1
80.71107	0.5
81.03398	1.9
81.07053	2.8
82.06599	0.6
84.08131	1.7
85.02904	7.4
86.09705	0.7
92.05006	0.8
93.07049	0.5
94.06567	2.2
95.04960	1.3
96.08073	0.5
97.02892	3.0
97.05943	0.6
97.06533	8.9
99.04484	0.8
107.04918	0.8
109.02895	0.8
109.06533	0.6
117.76551	0.4
120.08064	0.9
121.05233	0.6
121.06508	0.6
122.06025	4.3
124.07613	1.7
125.06004	0.9
127.03909	1.3
129.10194	0.4
130.06496	0.7
131.07321	0.6
136.73611	0.5
137.05962	1.7
138.05522	4.0
139.03893	0.7
140.07085	4.8
141.76450	0.5
143.08551	0.5
144.08055	1.6
145.05003	0.7
145.08855	1.3
145.10109	0.7
146.09618	2.1
148.03983	0.8
150.05505	56.5
151.03999	0.6
151.05836	0.6
151.69749	0.6
152.03397	0.5
155.07205	0.6
157.08859	0.8
158.09627	0.6
160.07614	1.0
160.11206	0.7
161.08354	2.6
162.09106	2.4
164.03438	0.9
164.07188	0.6
165.04181	0.5
166.05013	12.0
168.06538	1.1
172.07600	1.2
172.11249	2.8
173.08368	1.0
174.09108	1.2
174.12808	3.9
176.03429	3.8
178.04987	1.4
182.04500	0.5
185.08362	1.2
186.07631	0.6
186.09134	0.7
188.10645	0.8
190.04927	0.6
190.12265	4.3
192.02942	0.9
194.04486	2.2
200.07054	0.6
200.10703	5.3
202.08636	0.7
202.12297	5.1
206.11742	0.8
213.10274	1.1
215.11717	0.8
216.10220	2.6
218.08195	1.1
218.11757	17.2
225.10104	0.6
226.08751	0.6
227.11702	0.7
228.10226	10.6
229.09824	0.5
229.13361	1.0
234.11218	3.0
243.11290	1.4
244.09723	1.7
245.12848	1.1
246.11252	15.4
246.13774	1.0
253.09738	0.7
254.08229	0.6
255.11179	1.0
256.09760	0.7
257.09171	1.7
261.08630	1.0
261.12393	0.9
266.91870	0.4
271.07941	0.8
271.10675	4.8
272.09067	2.8
273.12338	2.3
274.10648	2.6
287.10260	5.7
288.11072	0.6
289.11841	7.9
290.10193	1.3
291.13498	0.9
295.05872	0.5
299.10260	5.4
317.11313	28.7
318.09796	1.9
323.05414	0.6
335.12363	100.0
336.12781	2.2
457.70163	0.5
497.17630	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	497.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
55.05499	1.5
57.03426	4.5
59.04996	3.7
61.02922	2.1
69.03436	9.2
69.07044	1.3
69.50439	9.3
70.06166	1.0
70.06582	6.3
71.01355	7.5
71.04981	3.5
72.08149	2.1
73.02909	3.3
75.04468	3.6
79.05476	3.5
81.03429	2.6
81.07047	1.5
83.04977	2.5
84.04514	1.7
84.08129	2.5
85.02906	22.0
86.09688	1.1
87.04468	69.4
89.07172	1.2
91.05471	2.2
95.04980	1.8
97.02897	14.1
99.00822	3.7
99.04465	4.5
105.07033	1.9
107.04955	3.6
107.08585	1.4
109.02849	3.0
110.07172	3.4
111.04432	3.8
113.02362	4.1
119.08566	1.7
120.08123	1.9
127.03922	4.1
129.04509	6.9
129.10297	1.3
131.03400	4.3
134.39809	1.1
136.07567	1.7
137.05969	1.2
138.09065	1.1
139.03857	1.8
143.07037	4.2
145.04959	2.8
147.05521	14.1
151.03909	2.6
157.79274	1.3
159.05537	10.3
161.08087	2.8
164.07152	1.8
165.05472	5.5
167.07129	2.1
171.09126	3.8
177.00803	1.6
177.06621	5.1
187.08669	78.1
215.08165	56.0
237.02788	3.0
289.11835	32.5
295.07614	3.0
303.04980	1.2
307.12888	100.0
308.13266	2.9
325.02313	1.4
330.44760	1.2
335.15839	2.0
338.59665	1.3
459.30685	1.3
479.16528	5.5
497.17566	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	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.9
55.01863	10.6
55.05514	25.3
56.96542	7.1
57.03439	31.1
57.07079	9.3
61.02932	57.4
65.03934	5.3
65.77792	4.0
67.05506	90.7
67.46561	3.3
69.03434	36.1
69.07071	30.2
70.06608	5.4
71.04979	9.7
71.25712	9.0
73.02913	29.0
79.05491	79.5
81.03436	29.6
81.06603	6.9
81.07056	100.0
83.04964	11.8
83.08603	16.6
85.02906	54.3
85.06542	5.1
87.04492	5.6
91.03961	28.1
91.05482	72.5
93.07041	66.8
95.04961	23.5
95.08605	82.8
97.02871	44.6
97.06510	16.0
97.10168	7.9
99.04465	10.2
101.02385	8.2
103.03941	6.7
105.07028	55.3
107.04979	8.4
107.08585	50.2
109.02869	7.5
109.06512	7.0
109.10152	33.4
111.04421	5.0
111.08091	9.0
113.06046	3.6
115.03928	4.5
116.98531	5.3
117.07027	28.1
119.08590	38.8
121.06502	10.7
121.10149	38.3
123.08081	9.7
123.11702	16.4
125.09612	8.0
127.03886	20.1
128.06226	4.1
129.06993	12.7
131.08562	43.9
133.06461	4.1
133.10109	32.5
135.08054	9.3
135.11691	22.1
137.09615	7.2
137.13219	5.1
141.06999	4.8
143.08583	16.2
145.04977	6.6
145.06436	4.3
145.10123	22.3
147.08061	6.8
147.11688	17.2
149.09583	10.5
149.13254	16.4
151.11125	5.8
155.08574	7.3
157.10144	7.7
159.07935	4.5
159.11682	17.1
161.09596	6.4
161.13304	14.3
163.11183	4.9
163.14902	6.7
167.06961	8.9
167.10725	5.1
169.10178	6.5
171.08072	5.3
171.11685	10.4
173.09599	3.8
173.13261	17.1
175.11185	7.5
175.14841	6.5
177.16412	6.5
185.09727	4.5
185.13268	7.7
187.14804	8.8
188.75340	4.0
189.12749	5.0
189.16333	6.1
197.09525	5.2
199.11153	4.1
199.14757	5.8
201.12729	5.7
209.15498	3.8
211.13222	5.6
213.12756	5.1
215.14224	4.9
225.12807	5.9
241.15694	4.6
241.19380	3.8
243.21098	10.7
259.20471	5.0
261.22113	22.4
273.22134	5.3
277.43817	4.0
301.21487	5.0
303.23175	11.2
309.22095	4.9
315.23267	9.4
317.24652	7.6
333.24203	7.9
335.25797	42.5
340.11679	4.4
351.22842	10.5
369.24124	15.2
369.28732	3.7
375.25348	5.3
377.27057	8.6
387.25217	9.6
389.27087	7.7
405.26300	4.5
413.27060	5.5
415.28860	4.5
419.27780	13.2
431.28098	10.6
443.27856	35.9
461.28809	17.2
479.30466	10.8
497.26352	17.6
497.30899	45.1
500.20346	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	498.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.96549	0.5
61.02941	0.4
67.05506	0.6
69.03408	0.3
69.07052	1.4
69.68281	0.6
69.68664	2.4
70.06599	4.4
71.04984	0.4
79.05485	0.9
81.03384	0.5
81.07051	1.0
83.04991	0.3
84.08113	0.5
85.02895	1.4
86.09705	4.1
87.05594	0.9
91.05457	1.0
93.07037	0.8
94.06544	0.4
95.04939	0.5
95.08582	0.6
97.02843	0.4
97.06545	3.2
103.05473	0.4
105.07050	0.6
107.04890	0.4
109.10136	1.0
113.10748	0.6
115.05477	0.6
120.07277	0.6
120.08109	8.6
120.08961	0.6
120.25187	0.4
121.06553	0.4
121.08451	0.5
122.07176	0.4
128.06197	0.4
129.06996	0.7
130.06531	1.1
132.08051	0.4
141.06989	1.3
141.10231	1.5
142.07776	1.9
155.08528	1.4
156.09358	0.5
157.06374	0.8
157.10129	0.4
159.09178	0.6
163.03874	0.8
165.05400	0.5
166.08646	1.5
169.06487	7.3
170.07263	1.0
171.08011	1.1
172.08832	1.5
173.09576	1.2
183.08049	11.9
184.08839	44.3
185.05975	18.2
185.09477	2.1
195.62531	0.4
196.06180	0.5
199.07556	1.5
200.08327	46.5
201.08849	1.0
215.10675	100.0
216.11060	0.6
217.13387	0.6
223.10834	0.6
259.09668	0.8
272.17416	0.5
274.11871	0.5
301.14285	1.6
319.15433	0.4
498.27808	0.8
512.25537	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	498.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53234	1.2
53.03939	2.5
55.01873	1.9
55.05500	3.0
57.03424	4.0
61.02899	1.9
63.18659	1.3
67.05509	3.9
69.03431	9.6
69.07050	2.3
71.04975	2.5
71.49699	2.9
73.02915	1.9
79.05477	3.7
81.03419	5.0
81.07056	5.7
83.04980	1.5
83.08597	2.4
84.08145	1.7
85.02914	13.1
86.09717	1.9
87.04422	1.7
91.05470	5.1
93.07039	3.6
95.04991	2.6
95.08600	2.4
97.02883	6.6
97.06526	4.3
97.96545	1.5
105.07055	8.3
107.04961	4.1
109.02888	4.0
109.10130	3.6
117.07013	2.5
119.04951	1.9
119.08572	3.3
121.06501	2.0
121.10104	1.6
122.09635	1.6
124.07597	11.1
125.08395	1.7
126.09168	2.8
127.03967	1.7
132.08087	1.5
133.06456	4.8
135.04419	15.2
136.11194	6.4
137.05923	2.1
138.09113	10.2
143.08557	2.1
145.04967	1.9
145.10168	2.0
149.06024	1.7
150.09155	3.5
152.10683	2.3
160.07565	4.1
161.05966	3.5
161.09630	2.2
162.09135	3.4
162.12747	2.7
164.10710	62.2
165.05423	2.3
167.07050	6.5
169.15866	4.1
174.09108	4.1
176.10698	5.1
178.12288	2.8
187.17091	1.6
188.10651	8.5
188.14442	2.8
189.11569	1.7
190.12228	10.2
191.39755	1.4
202.12413	2.4
206.11821	5.4
211.09937	1.7
212.01270	1.4
216.10272	10.5
216.13802	19.4
217.10950	2.2
218.11795	8.3
218.15366	10.5
230.11600	1.7
230.15427	5.3
234.11241	57.0
234.41467	1.8
240.13863	5.8
240.73914	1.5
248.12794	8.7
256.13361	2.6
258.14911	11.9
268.13419	9.3
269.17520	2.3
286.14380	61.5
300.15939	2.4
304.15414	64.4
318.16968	33.5
336.18048	100.0
337.18634	1.7
373.14078	1.9
439.79761	1.8
498.18509	2.6
498.27481	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	498.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53234	1.2
53.03939	2.5
55.01873	1.9
55.05500	3.0
57.03424	4.0
61.02899	1.9
63.18659	1.3
67.05509	3.9
69.03431	9.6
69.07050	2.3
71.04975	2.5
71.49699	2.9
73.02915	1.9
79.05477	3.7
81.03419	5.0
81.07056	5.7
83.04980	1.5
83.08597	2.4
84.08145	1.7
85.02914	13.1
86.09717	1.9
87.04422	1.7
91.05470	5.1
93.07039	3.6
95.04991	2.6
95.08600	2.4
97.02883	6.6
97.06526	4.3
97.96545	1.5
105.07055	8.3
107.04961	4.1
109.02888	4.0
109.10130	3.6
117.07013	2.5
119.04951	1.9
119.08572	3.3
121.06501	2.0
121.10104	1.6
122.09635	1.6
124.07597	11.1
125.08395	1.7
126.09168	2.8
127.03967	1.7
132.08087	1.5
133.06456	4.8
135.04419	15.2
136.11194	6.4
137.05923	2.1
138.09113	10.2
143.08557	2.1
145.04967	1.9
145.10168	2.0
149.06024	1.7
150.09155	3.5
152.10683	2.3
160.07565	4.1
161.05966	3.5
161.09630	2.2
162.09135	3.4
162.12747	2.7
164.10710	62.2
165.05423	2.3
167.07050	6.5
169.15866	4.1
174.09108	4.1
176.10698	5.1
178.12288	2.8
187.17091	1.6
188.10651	8.5
188.14442	2.8
189.11569	1.7
190.12228	10.2
191.39755	1.4
202.12413	2.4
206.11821	5.4
211.09937	1.7
212.01270	1.4
216.10272	10.5
216.13802	19.4
217.10950	2.2
218.11795	8.3
218.15366	10.5
230.11600	1.7
230.15427	5.3
234.11241	57.0
234.41467	1.8
240.13863	5.8
240.73914	1.5
248.12794	8.7
256.13361	2.6
258.14911	11.9
268.13419	9.3
269.17520	2.3
286.14380	61.5
300.15939	2.4
304.15414	64.4
318.16968	33.5
336.18048	100.0
337.18634	1.7
373.14078	1.9
439.79761	1.8
498.18509	2.6
498.27481	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	498.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.6
55.01879	24.2
55.05512	50.4
56.96563	4.2
57.03448	17.7
57.07074	3.7
61.02919	11.5
61.76782	3.3
67.05507	74.0
69.03413	10.5
69.07062	18.9
70.06592	36.3
70.61808	12.0
71.01354	12.5
71.04984	4.8
72.08144	6.8
73.02908	18.0
79.05500	73.1
81.03416	81.6
81.07057	50.1
83.04979	47.8
83.08625	21.3
83.39677	3.7
84.04501	6.5
84.08144	5.3
85.02914	35.3
85.06548	4.3
86.09724	27.8
91.03967	4.5
91.05465	39.2
93.07046	43.8
95.04974	21.1
95.08617	34.9
97.02898	46.1
97.06516	22.4
97.10170	15.2
98.97576	3.7
99.04484	6.0
102.05529	4.8
105.07053	17.8
107.04961	60.3
107.08576	30.0
109.02892	4.3
109.06567	4.0
109.10156	35.0
111.04442	29.1
111.08084	11.3
112.26990	3.5
117.07031	20.3
119.08532	18.0
120.08080	6.4
121.06487	7.4
121.10155	24.7
123.04484	3.2
123.08067	8.2
124.07603	15.0
125.09608	17.7
127.03937	7.3
129.06982	7.0
131.04900	4.2
131.08585	15.3
133.10120	5.1
135.04495	5.9
135.08087	6.7
135.11699	42.5
145.05013	5.4
145.10120	48.3
146.06027	4.1
147.06561	6.1
147.08028	6.2
149.09663	4.2
151.07484	4.3
153.12743	51.1
155.08586	4.5
163.07547	3.8
163.11174	100.0
169.15880	7.9
173.09669	20.6
173.11711	19.1
174.05667	9.1
181.12215	25.1
191.10684	27.0
207.49455	4.3
209.11737	20.0
215.13953	5.8
216.13919	7.5
227.12779	15.2
229.14333	89.7
239.15150	4.9
246.87410	4.2
258.14774	4.1
283.15329	28.6
291.57553	3.4
297.12167	7.1
301.16257	3.9
304.15457	5.0
318.16946	13.8
320.11325	4.0
336.18021	4.4
391.98419	3.8
466.19797	7.8
498.18011	6.2
498.35767	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	498.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01764	1.6
51.11384	1.6
53.03940	3.5
55.01868	8.4
55.05508	19.8
56.96548	2.3
57.03437	11.3
57.07070	3.6
57.20472	2.0
59.76987	1.9
61.02924	18.0
65.03933	2.6
67.05504	56.6
68.14741	1.5
69.03429	13.4
69.07067	36.4
70.47680	2.5
71.01353	2.3
71.04996	2.8
73.02917	9.3
79.05496	26.3
81.03424	24.1
81.07055	50.5
83.04991	10.3
83.08611	10.2
85.02900	20.3
85.06533	3.0
87.04459	1.8
91.03955	12.0
91.05486	17.5
93.07047	33.3
95.04994	7.7
95.08608	42.5
97.02882	20.6
97.06537	8.7
97.10157	5.2
98.97569	2.0
99.04459	5.7
99.08076	2.1
101.02377	3.7
103.03931	2.9
105.07036	17.1
107.04952	38.2
107.08580	18.6
109.02884	3.9
109.10146	23.0
111.04463	7.4
111.08070	3.4
116.98624	3.2
117.05558	2.0
117.07022	3.9
119.08574	15.0
121.06478	3.8
121.10146	16.0
123.08038	3.6
123.11692	6.0
125.09658	3.4
127.03891	5.8
129.05453	1.8
129.06989	3.4
131.08537	10.0
133.06458	3.8
133.10127	11.8
135.08044	7.3
135.11688	5.6
137.09642	5.8
138.56572	1.6
139.11177	6.8
143.08514	3.0
145.04919	3.9
145.10112	7.5
147.08058	3.9
147.11676	6.2
149.01216	4.7
149.09616	23.5
149.13252	5.2
151.11150	1.9
151.14862	1.7
156.03654	2.5
157.10135	3.2
158.99660	1.9
159.11688	5.3
161.09613	5.4
161.13281	4.4
163.11136	2.2
163.14784	2.5
165.09167	2.5
167.02205	2.4
167.14279	2.0
173.11748	6.4
173.13124	1.8
175.11156	4.0
175.14871	3.2
176.32834	2.1
177.12738	2.6
179.10736	2.6
187.14886	2.0
189.12717	2.0
195.13809	6.2
203.12685	2.3
211.73201	1.6
213.65456	1.6
221.11694	2.7
235.13255	2.3
245.18954	3.1
245.22707	3.7
255.17482	1.8
263.20062	2.8
263.23752	8.7
273.18512	14.0
291.19525	100.0
292.19940	4.5
294.05542	1.6
303.23141	2.1
309.20557	4.4
311.06671	2.3
313.06793	1.5
337.27377	28.8
338.20410	1.9
359.17126	9.1
359.35019	1.6
359.67297	4.0
371.25775	2.3
389.26956	2.0
445.29257	4.4
463.30710	7.8
481.31335	3.0
498.27667	2.3
498.35455	3.1
499.33157	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	498.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.0
57.06808	1.9
57.07077	37.6
69.07059	2.3
71.08257	1.6
71.08633	27.2
73.06562	6.9
79.99142	0.9
83.08593	2.4
85.10183	20.2
87.04454	4.4
89.06032	100.0
97.10146	3.8
99.11720	4.8
107.07053	4.0
110.86363	1.0
111.11745	1.4
113.13267	1.9
113.83908	1.3
117.09135	3.6
130.08635	3.3
131.07063	1.5
133.08604	47.0
155.18040	4.6
177.11217	19.4
199.20523	4.8
221.13811	3.4
229.51895	0.9
239.14946	1.5
243.23178	8.4
268.55542	0.9
283.17416	2.6
287.25781	5.6
307.48660	1.0
327.20123	9.7
358.24237	0.9
437.34872	1.3
439.35303	1.0
481.37442	11.1
498.36771	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	499.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	7.2
69.63628	9.1
77.00894	2.7
82.99854	2.8
83.45613	1.6
84.96015	2.6
85.02863	3.0
87.43658	1.4
94.99833	1.6
95.01981	2.5
97.02892	1.6
98.97578	13.4
100.89120	1.5
101.00885	14.6
103.02441	4.4
109.02888	1.7
110.97593	3.5
112.52689	1.5
113.00867	4.0
113.41685	1.5
116.98588	8.1
119.01923	32.8
121.03491	3.2
127.02390	7.5
128.98581	4.7
129.03978	1.6
131.00197	1.4
131.01906	19.8
133.03468	5.6
134.99632	3.6
137.02946	5.2
139.02405	3.0
143.00200	2.7
143.01895	19.9
145.03473	53.6
146.99655	5.2
147.01381	3.2
149.02966	4.5
151.04514	2.1
155.01894	26.7
157.03488	25.1
157.04669	2.8
158.99648	7.5
161.01279	4.0
161.02972	35.8
163.04547	7.2
167.01971	7.1
169.03476	6.5
170.99690	5.0
171.01376	5.6
171.05029	2.8
173.02972	54.9
174.99185	8.2
175.03078	1.9
175.04498	9.3
177.00723	5.5
179.01976	3.8
182.36150	1.7
182.99695	1.4
184.04428	1.5
185.02960	49.5
187.04572	8.3
189.00713	7.5
189.02435	11.2
191.03960	2.7
193.00192	14.2
193.01804	2.6
197.02951	16.7
199.00912	5.5
199.04466	4.4
201.00685	8.0
201.02432	3.2
203.03992	21.8
209.02930	4.0
211.01215	2.4
211.04501	3.1
215.04027	10.4
217.00203	5.1
217.01962	54.7
217.05452	3.5
219.01744	10.6
221.03310	2.1
221.05095	17.6
227.04060	10.4
229.02003	8.3
235.01158	3.0
235.03040	27.9
237.02841	14.4
239.04169	2.7
239.06180	18.5
245.05086	100.0
246.05281	1.8
247.03117	9.7
247.06728	3.1
253.04097	3.2
255.03899	10.7
257.05081	10.3
261.02805	9.9
263.06122	26.2
265.04111	2.4
265.07562	1.7
275.06116	50.7
277.04208	15.1
279.03885	6.0
293.07126	5.4
295.08795	2.6
301.04218	9.6
305.07196	12.4
307.08850	2.8
319.05200	27.0
321.04926	6.2
335.08215	7.1
337.06232	32.2
351.11148	1.6
361.18143	1.8
365.09369	13.8
383.10245	7.4
399.08029	4.8
439.12988	2.8
481.09174	5.3
499.10965	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	499.2146
Annotation	Conivaptan
Peak:m/z	Relative Intensity
52.22311	0.4
53.15742	0.4
54.83731	0.6
55.01876	0.7
55.05513	1.3
56.05032	1.7
57.03441	1.0
61.01139	1.1
65.03960	0.5
67.05489	1.6
69.03424	1.1
69.07066	1.4
69.32944	4.2
70.06606	0.5
71.05004	0.8
71.51120	0.4
75.03168	0.5
76.92440	0.5
79.05491	1.9
81.07056	1.7
83.04981	1.0
83.08635	0.6
84.04501	1.2
84.08170	0.5
85.02905	1.9
86.09721	1.0
91.05482	1.4
93.07051	2.1
95.04984	1.1
95.08614	1.5
97.02884	0.9
97.06539	4.8
98.06050	1.2
98.21478	1.1
98.97614	0.5
102.05523	1.6
104.05334	2.9
104.30398	0.5
105.07034	1.7
107.04967	0.9
107.08629	0.7
109.10156	1.0
115.05432	0.5
119.08572	1.5
121.06567	0.5
121.10181	1.2
125.09641	0.6
131.08569	1.1
133.10146	0.7
134.08394	0.4
135.11710	0.5
137.05952	0.6
143.08531	0.6
145.10178	0.5
146.06352	2.2
146.99658	0.5
147.11728	0.6
150.05518	0.6
151.07547	0.6
153.05437	1.1
155.08536	0.7
157.10132	0.6
163.03905	0.6
167.08255	1.4
169.10123	0.8
170.10524	0.7
171.11658	0.8
174.05809	0.9
185.04283	1.2
192.66212	0.5
195.07640	2.5
211.07535	0.5
213.08717	3.8
257.08350	0.5
259.09836	0.9
307.13138	0.6
325.14197	0.6
331.10001	35.6
349.17334	0.5
374.14291	0.6
380.73187	0.5
386.13687	1.5
395.85446	0.5
499.21478	100.0
500.21808	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	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67213	2.7
53.03946	8.0
53.75502	2.6
55.01866	6.6
55.05510	35.6
57.03438	31.8
57.07069	11.2
61.02928	77.4
67.05141	4.6
67.05504	91.7
69.03431	41.1
69.07066	43.2
69.27915	22.7
71.01357	6.8
71.05001	5.2
71.08618	5.4
73.02914	34.9
79.05489	36.4
81.03415	25.0
81.07056	95.0
83.04974	6.4
83.08622	20.3
85.02905	73.1
85.03394	5.5
86.09715	3.4
87.04461	6.7
88.33163	2.4
88.64830	2.4
91.03962	50.4
91.05463	23.8
93.07051	36.0
95.04967	6.0
95.08604	77.2
97.02894	60.9
97.06526	10.1
97.10165	14.4
99.04462	7.9
99.08110	6.0
101.02375	17.7
103.03938	10.9
104.10741	6.4
105.07020	21.1
107.08594	22.5
109.02892	12.3
109.06528	3.8
109.10150	34.7
111.04436	7.4
111.08103	3.2
111.11694	3.0
115.03922	5.5
117.06998	3.8
119.08549	18.5
121.10150	21.8
123.07970	2.6
123.11730	16.1
125.09653	3.8
127.03900	24.3
129.05478	6.4
131.08569	5.0
133.10172	17.1
135.11688	14.4
137.13269	8.0
139.11203	3.6
141.98552	3.6
145.04970	11.3
145.10143	7.5
147.11700	10.2
149.13243	7.2
151.14867	4.8
159.06506	2.7
159.11690	4.6
161.13261	11.1
163.14873	7.5
165.16261	2.8
173.13336	3.8
173.18259	2.9
175.14813	9.1
183.06549	6.1
184.07321	5.9
185.07707	3.1
186.07768	3.8
192.09492	2.4
201.07600	5.1
201.13219	2.6
234.25536	3.6
245.22771	14.2
263.23706	25.5
264.29532	2.7
269.62250	2.7
276.20563	3.0
303.23245	3.2
309.45493	2.7
337.27390	100.0
365.26971	4.9
371.25980	3.6
389.26758	6.7
481.31503	6.2
499.32709	31.6
499.46365	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	500.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20477	0.5
56.96569	0.8
57.03436	0.7
67.95586	0.4
69.03430	1.1
69.61453	0.4
70.06598	0.7
71.48968	0.7
78.90899	0.4
79.05472	0.4
81.03404	0.5
84.08161	0.6
85.02896	3.3
90.99545	0.4
91.05505	0.8
94.04195	0.9
97.02879	1.2
101.90714	0.5
107.04948	0.6
109.02873	0.5
122.03656	3.7
127.03941	0.5
137.05981	100.0
138.06282	0.9
145.04994	0.8
147.04449	0.7
149.06006	0.6
153.06998	0.8
179.07048	1.6
181.06476	1.7
213.09169	1.2
219.01743	0.7
237.02887	1.3
241.08696	1.3
265.39801	0.5
273.11169	4.6
285.11209	1.7
303.12180	0.9
320.14978	0.5
338.15891	0.7
500.19247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47505	1.9
55.05501	3.6
55.78190	1.9
57.07075	3.7
58.17165	2.5
67.05231	1.7
67.05508	17.5
67.50671	2.0
69.07075	2.6
70.06597	2.2
70.97458	2.6
71.08624	15.2
71.50013	2.8
76.01578	2.0
79.05486	4.2
81.03394	9.3
81.07050	9.4
83.04959	4.7
83.08611	3.7
85.06564	3.2
90.37553	1.9
91.05486	10.2
93.07024	9.1
95.04948	7.8
95.08604	12.8
95.62003	2.0
99.04471	3.0
99.08095	14.7
105.07063	3.6
107.08553	3.3
109.10197	12.4
119.08562	3.6
133.10136	5.2
137.09619	7.8
149.13199	2.7
151.11159	38.7
155.10715	4.4
161.09607	3.0
163.11255	2.0
165.12813	3.0
167.14278	3.0
173.11717	4.4
177.12701	4.5
190.43503	2.1
195.13794	20.3
275.20010	11.6
293.21103	100.0
432.12408	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	500.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36164	3.9
55.05498	16.9
57.03421	14.8
57.07065	8.7
59.04996	4.8
67.05506	76.9
69.07066	29.9
69.18079	12.0
69.18481	39.8
71.08626	5.9
81.07069	10.4
83.08612	22.9
83.40646	3.8
92.12368	3.8
93.07020	6.0
95.08619	6.7
97.10174	10.3
109.10165	69.4
137.09685	4.8
152.88019	4.2
155.10619	6.8
173.11766	19.2
229.14362	100.0
311.25778	79.8
465.35849	64.2
500.46490	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	500.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05514	7.2
58.06328	1.3
58.06601	20.6
60.04506	3.1
67.05508	2.2
69.07067	2.1
71.50352	1.5
79.05486	1.6
81.07050	6.6
83.04980	55.1
83.08591	1.3
91.05468	2.5
93.07032	5.8
95.08607	7.6
96.60647	1.1
97.10206	1.3
99.08067	2.4
99.69252	1.0
100.07635	5.8
105.07021	4.5
107.08597	11.4
109.10167	5.9
119.08592	4.8
119.26581	1.0
121.10142	13.5
123.11710	3.0
125.09618	7.0
133.10117	3.8
135.11690	14.6
137.13222	1.2
141.58086	1.0
142.08653	8.6
145.10159	1.8
147.11678	3.9
149.13293	2.7
159.11670	2.4
161.13284	2.6
163.14848	2.4
175.14783	2.0
187.00307	1.0
187.14824	1.7
189.16354	1.8
191.18005	6.4
201.16394	2.3
203.18034	1.9
207.17566	1.1
217.19522	2.2
219.17436	1.2
238.20630	1.1
309.18314	1.2
325.28830	1.3
343.30118	1.2
403.38443	1.1
423.36346	2.8
441.37207	4.7
500.40970	100.0
501.35233	1.9
501.41293	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	501.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88601	4.1
55.39288	3.9
56.96557	8.1
69.03428	10.5
69.63680	25.7
70.06589	17.0
81.03423	5.0
85.02898	22.5
86.89404	4.5
90.67524	4.3
92.94080	4.0
96.08174	6.1
96.46414	4.8
97.02858	10.4
116.98622	8.1
120.07993	4.5
127.03951	7.4
134.99673	7.4
146.99655	4.0
147.04451	7.3
161.05977	10.0
168.06711	5.4
174.07896	10.8
193.08572	4.9
204.08929	6.2
206.08440	12.9
207.06584	6.0
211.12329	10.0
220.09976	5.1
221.10638	7.4
224.09402	5.9
227.11891	4.7
230.11586	5.2
237.02928	5.0
239.11795	21.8
257.12820	6.6
259.14453	4.8
267.11249	41.1
272.11581	12.8
285.12347	51.2
290.12787	8.6
303.13394	86.3
308.15067	5.6
321.10934	8.6
321.14471	100.0
339.15601	8.9
367.07001	7.6
416.26190	4.3
449.22336	4.5
501.17413	5.6
501.31430	6.7
502.18967	8.3
526.69037	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	501.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.3
67.05495	1.7
69.03442	13.9
69.07070	1.9
69.22810	12.3
70.06560	1.3
73.02920	3.1
74.25832	1.2
79.05499	7.2
81.03407	2.1
81.07065	2.2
83.04988	6.6
85.02914	9.2
91.05489	3.3
93.07034	2.0
95.04941	2.2
95.08619	1.7
97.02921	2.9
103.05466	3.5
105.07062	7.6
107.04954	3.5
107.08601	7.2
109.06535	2.4
113.52359	1.1
117.06993	1.4
119.08583	4.0
121.06506	12.9
121.10155	5.8
123.08070	4.1
127.03942	3.2
131.08554	4.0
133.06488	100.0
133.10155	3.4
135.08073	6.8
135.11710	1.4
143.08574	2.1
145.04967	2.4
145.10127	3.1
147.08023	4.0
147.11710	4.2
149.09637	2.8
149.13277	1.8
151.07545	1.6
158.10925	1.5
161.09612	3.7
163.11194	20.4
165.05362	1.5
173.13239	7.0
176.12007	1.7
189.12755	38.8
191.14302	94.2
192.14693	2.0
207.13791	72.4
208.18250	1.3
351.17886	2.2
369.19138	2.2
461.25946	1.5
501.19171	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	501.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
53.77758	1.5
54.72223	1.3
56.05032	4.0
56.06195	1.4
57.03424	3.9
61.02921	4.9
67.05506	3.2
69.03167	1.2
69.03436	15.9
69.07071	9.1
69.23813	1.4
69.61089	1.4
70.06583	3.6
71.01356	3.3
71.04993	1.5
71.49029	3.3
72.04515	3.6
72.08148	3.7
73.02904	1.8
79.05501	10.9
80.05009	3.9
81.03453	8.7
81.07044	4.0
82.00987	1.6
84.08159	2.1
85.02909	30.1
86.09705	37.9
87.04456	1.8
91.03957	1.8
91.05475	2.8
93.07041	3.0
94.06577	2.1
95.04960	16.5
96.04476	2.7
96.08130	2.2
97.02892	14.7
97.06491	1.8
98.09720	1.6
99.04426	2.8
101.07195	1.5
103.03951	2.0
103.05476	2.0
106.06557	61.1
106.07286	2.9
107.04958	21.3
107.08576	1.9
108.04474	4.8
108.08091	3.5
109.02888	12.7
109.06513	2.9
112.11243	10.4
114.06695	1.4
114.09199	2.3
118.14272	1.7
119.08567	3.9
121.06506	4.9
122.06070	2.1
123.04419	4.3
124.03949	28.4
124.07597	2.3
125.02379	3.8
126.05489	3.3
127.03883	8.8
130.06505	2.0
131.04898	2.2
131.11803	2.9
132.08115	2.1
133.02829	3.5
133.06525	1.5
135.04430	11.5
136.07549	1.9
137.05959	3.7
138.05484	7.5
138.09138	4.7
139.03918	17.2
140.03403	2.4
140.07047	4.6
141.05403	2.9
145.04945	2.1
148.07576	18.6
149.05966	6.4
150.05516	5.9
151.03923	12.9
155.24825	1.4
157.13385	13.0
164.07089	3.2
164.10651	1.8
164.14302	2.6
165.05479	58.3
166.08627	2.5
176.07068	27.8
176.10593	2.7
177.05519	11.3
192.10185	36.9
193.13321	2.5
194.08203	3.0
194.11786	7.8
195.06531	3.5
196.13327	2.3
206.08089	3.4
207.13786	3.8
208.09682	13.0
208.13412	3.6
209.08093	3.7
216.13651	1.9
219.14937	100.0
220.09682	50.1
221.12831	15.6
221.16316	1.9
226.10800	2.3
237.12318	11.6
239.13896	4.3
244.13327	3.7
251.13931	5.4
253.15422	20.8
261.15894	2.4
262.14438	12.1
277.15598	3.0
279.17075	11.3
289.15472	17.2
290.13843	6.2
293.18448	2.7
294.17026	10.8
307.16568	10.8
321.14340	3.8
321.18085	62.6
322.16629	2.3
339.10962	2.6
339.19159	60.3
425.18738	1.5
469.21658	4.2
483.44916	1.6
501.24677	27.0
502.21289	1.8
514.21881	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	502.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39326	0.5
53.03941	0.9
55.01867	0.9
55.05490	0.6
57.03436	1.0
61.02911	2.1
67.05504	0.6
69.03098	0.8
69.03429	9.4
69.56084	1.9
69.56514	1.4
70.06590	31.4
71.04985	5.2
72.08136	2.5
73.02906	0.8
79.05494	1.0
81.03413	3.9
82.06547	0.8
84.04488	0.7
84.08126	1.3
85.02905	13.3
86.06063	12.1
86.09686	3.3
87.04464	1.1
88.07619	2.1
91.03970	0.8
91.05471	1.7
93.07037	1.1
94.58675	0.5
95.04964	1.1
95.06061	0.7
97.02892	6.6
99.04434	0.8
100.07599	1.1
103.05466	2.1
105.07048	0.9
107.04975	2.5
109.02866	3.9
111.04420	0.7
112.07498	0.6
114.05515	1.3
117.07037	0.6
119.04885	1.0
120.08074	1.0
121.06514	1.7
122.06064	0.6
127.03906	4.5
128.07098	0.6
129.03355	2.8
129.10236	0.7
131.04930	5.2
133.06453	1.1
134.06068	0.8
135.04404	5.4
136.07576	1.3
138.05484	0.9
138.09082	0.9
139.03911	2.4
143.34158	0.5
145.02834	2.4
145.04965	2.2
147.04407	1.6
148.07574	0.6
149.05960	2.2
151.03955	0.7
159.04407	8.7
161.05968	3.0
163.03926	2.2
164.07092	2.8
166.08641	1.1
167.07045	0.6
174.05475	0.5
174.09154	1.6
175.03896	3.9
176.07062	1.1
177.05447	9.8
178.08707	1.5
187.03880	4.3
189.05463	100.0
190.05798	2.1
191.06932	1.2
192.10219	1.3
194.08160	0.8
202.08632	1.1
203.03407	1.2
204.06406	0.8
205.04930	7.5
206.08176	0.8
206.11728	0.7
216.10201	1.9
217.04959	0.9
219.06508	5.3
220.06140	0.9
220.09651	2.2
222.07617	1.6
223.06065	0.6
226.08673	1.1
228.10081	0.6
230.07982	1.0
234.07610	1.7
234.11224	1.3
235.05905	1.2
237.07568	1.5
244.09666	6.1
248.09189	1.7
252.09268	0.6
254.10246	2.6
262.10779	9.7
266.10330	2.6
266.13666	2.5
272.09216	5.1
276.12332	2.3
286.10724	24.2
290.10217	18.2
294.09961	1.1
294.13345	32.3
304.11777	34.2
305.12143	0.8
308.11258	16.9
322.12836	87.8
323.13168	1.8
340.13885	32.6
341.14362	0.7
416.13531	0.9
434.14468	1.4
448.16098	1.6
452.15518	1.3
456.18790	0.9
466.17096	2.6
484.18039	1.8
502.19556	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	502.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38934	0.4
57.03435	0.6
61.02924	1.1
65.03935	0.8
69.03428	2.3
69.85504	1.9
70.06595	3.8
71.04985	2.1
79.05499	0.7
81.03397	1.8
82.06558	2.0
85.02914	5.2
96.08139	4.4
97.02908	2.4
98.06054	8.6
98.21430	0.7
99.06826	0.6
100.07616	26.3
107.04969	1.3
112.07626	0.7
113.08446	0.5
114.09184	2.4
119.04938	0.9
125.02356	0.6
127.03945	0.9
132.08072	0.5
133.08842	1.1
134.09648	8.4
135.04414	2.2
139.03888	2.7
139.09952	0.7
145.02821	3.4
145.04936	0.6
146.09627	0.5
147.04456	1.0
150.09149	0.8
152.10701	1.0
157.46364	0.5
159.07994	0.6
160.07599	0.6
160.11212	1.6
161.06027	0.7
162.09148	1.7
163.03923	1.9
163.09940	0.7
170.09703	2.6
176.59290	0.6
177.05478	4.7
178.12289	1.4
179.07024	1.6
180.10193	2.4
184.11208	1.2
186.09196	1.0
188.10716	4.7
189.05455	17.7
191.07076	1.3
202.12262	1.8
206.11765	1.7
212.10715	3.3
214.08694	1.1
218.11806	0.8
228.10242	0.8
229.08678	0.7
230.11768	6.3
240.10129	2.5
241.08513	0.6
248.12813	2.1
251.31479	0.6
258.11276	6.9
262.14368	1.2
272.12872	2.7
276.12268	11.2
280.15436	4.5
290.13861	59.8
308.14914	100.0
309.15256	0.8
322.16492	2.8
450.22244	0.6
452.19290	1.9
470.20230	51.8
471.20490	0.7
484.21805	3.9
502.22943	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	502.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03188	0.3
55.01859	0.6
55.05512	0.5
56.96559	0.4
57.03425	0.8
59.32738	0.3
61.02907	0.6
66.18260	0.2
67.05488	1.2
69.03418	1.2
69.07051	0.7
71.04981	0.3
71.49873	0.5
73.02918	3.5
79.05480	0.9
81.03403	0.6
81.07054	0.6
83.04982	0.5
84.04520	0.3
85.02907	2.4
86.09709	0.6
87.04395	0.3
91.05467	1.0
93.07052	0.5
95.04979	0.5
95.08606	0.7
97.02874	1.0
97.06538	2.4
98.06878	0.4
105.07020	1.2
107.04977	0.4
107.08595	0.4
108.87458	0.2
109.02880	0.4
109.10147	0.5
111.04459	0.4
115.03918	1.0
116.06258	0.4
117.07027	0.7
119.08592	3.1
121.06539	0.3
121.10104	0.3
127.03944	0.7
128.06279	0.4
129.06998	1.2
131.08577	6.3
133.04973	0.4
133.10129	1.7
135.08081	0.3
142.07764	0.5
143.08557	7.1
144.09389	1.7
145.05003	0.5
145.10133	5.5
150.07561	0.3
156.09328	0.4
157.10129	0.5
158.10921	21.2
171.11763	1.0
173.13266	100.0
174.13603	1.0
199.07454	0.3
202.89177	0.3
259.09756	0.3
299.06274	0.3
299.59894	0.2
311.12769	1.0
330.24673	0.3
338.14877	0.3
375.76523	0.3
502.20401	0.3
502.28473	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	503.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
54.18042	1.7
55.01876	2.8
56.05042	3.6
56.67754	1.8
56.96558	2.3
57.03441	2.2
61.02916	6.3
67.05491	2.1
69.03167	1.6
69.03434	16.3
69.09184	1.8
70.02950	4.9
70.06581	9.0
72.04516	27.5
72.08170	5.1
73.02927	2.1
79.05483	6.7
81.03429	9.9
81.07011	3.7
84.04495	3.2
84.08142	5.4
85.02907	35.2
86.09704	3.7
87.04472	2.5
87.05574	8.4
87.06136	1.8
93.07050	2.4
94.06522	3.3
95.04974	12.1
96.04485	7.9
97.02888	9.7
98.02406	4.4
98.06042	3.7
98.97559	3.2
99.00794	7.3
100.03968	6.4
100.07592	5.4
103.05483	2.4
105.03447	2.0
105.07030	2.7
106.05869	3.4
106.06551	46.0
107.04967	12.8
108.04471	5.0
108.08090	3.9
109.02877	7.4
109.06515	2.8
111.04426	3.7
113.07126	4.3
114.05527	7.3
116.03448	10.3
120.04414	2.7
120.08092	4.2
121.06499	3.6
122.05988	2.8
123.04413	6.7
124.03952	99.5
126.05489	5.1
127.03902	7.0
130.06488	3.9
132.08084	8.2
133.06120	7.1
134.06009	2.2
137.05922	7.0
138.05515	7.1
138.09148	3.6
139.03894	19.9
140.03383	5.3
141.05498	2.4
142.05000	8.8
145.04881	3.1
146.99716	1.8
147.04398	1.9
148.07588	12.0
149.05992	3.2
149.09581	5.2
151.03897	6.2
152.07034	6.3
158.99496	2.4
159.07687	14.8
163.03867	3.3
164.07050	3.5
165.05478	81.2
167.05432	3.2
167.06949	4.9
170.99359	2.2
175.08662	3.1
176.06993	13.1
177.05446	3.8
177.10255	12.0
178.04994	4.8
178.08676	2.3
179.03389	4.1
179.08183	7.4
190.08632	2.1
194.08153	2.5
203.08215	5.4
204.01024	2.1
204.06528	16.2
209.08009	2.9
219.11266	4.0
221.09203	100.0
222.03986	13.2
223.07153	25.0
234.11440	2.0
237.02745	5.3
239.06670	24.0
241.08179	14.6
246.07533	5.3
247.10675	6.2
249.08548	2.6
253.08197	7.3
255.09778	25.0
264.08517	2.1
269.34079	2.1
274.06982	4.3
278.10361	3.0
279.10043	4.2
279.13171	2.1
281.11243	7.4
282.09476	4.4
291.09753	18.2
292.08130	16.2
295.12958	3.0
297.14673	3.0
299.06107	4.6
305.11349	3.5
306.09689	2.5
309.10822	25.5
323.12387	66.4
324.10767	4.5
341.13452	51.1
341.17462	2.5
503.18005	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	503.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
53.16039	2.4
55.01861	4.3
56.05059	3.4
57.03442	4.3
67.05508	3.2
69.03444	12.4
70.06573	4.3
70.09719	6.2
70.10133	8.5
71.01338	3.3
72.04514	30.3
73.02948	3.3
79.05487	7.2
80.05013	3.7
81.03398	8.0
81.07056	4.5
83.04971	3.1
84.04507	3.3
85.02907	29.6
87.05595	8.9
90.41196	3.2
95.04965	12.0
96.04480	9.0
97.02900	9.0
98.02383	3.9
98.97611	2.8
99.00819	8.3
100.03980	4.0
100.53848	2.4
106.06551	43.0
107.04961	10.1
108.04498	3.5
108.08184	2.7
109.02871	7.2
109.06544	3.0
114.04706	2.3
114.05563	3.8
116.03474	8.7
119.04984	2.9
121.06505	3.3
123.04392	5.0
124.03955	100.0
126.05514	4.4
127.03918	8.0
132.08087	5.3
133.06100	7.4
133.50917	2.9
137.06003	6.1
138.05516	5.7
139.03912	12.2
142.04993	7.8
145.04880	3.7
147.04370	3.9
148.07564	15.5
149.05891	3.5
151.03906	5.0
152.07092	7.1
159.04346	3.2
159.07689	14.6
159.08821	2.6
162.05534	3.2
164.07031	3.7
165.05482	75.2
167.05521	3.0
167.10750	2.5
174.05611	3.9
176.07056	11.4
177.10277	10.3
178.08609	2.7
179.06870	2.9
179.08286	4.4
183.06564	4.5
194.08136	3.2
196.06087	2.6
203.08218	6.3
204.06602	12.9
206.04427	7.1
219.11427	3.4
221.09207	80.3
222.04007	12.1
223.07112	19.2
236.46620	3.1
238.10767	2.9
239.06639	20.7
241.08203	11.0
246.07736	5.9
247.10915	6.2
249.08658	4.6
253.08200	5.5
255.09790	19.2
264.08502	3.2
274.07019	5.4
281.11453	6.8
291.09668	16.4
292.08194	11.5
299.06229	4.3
305.11411	3.1
309.10855	22.6
323.12381	48.6
324.10794	3.5
341.13446	39.7
458.97815	2.6
503.18057	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	503.2486
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
52.74174	1.4
55.05505	1.4
60.63035	1.7
65.13718	1.4
67.05466	1.9
67.67207	1.4
69.03423	5.2
69.07073	2.3
70.84590	4.9
73.11215	1.5
79.05494	2.1
81.07059	6.2
91.05493	3.9
93.07050	2.0
105.07011	3.5
107.08589	15.1
109.06520	5.2
109.10166	5.1
117.06980	2.3
121.09339	1.4
121.10127	9.4
122.07283	4.7
133.10126	100.0
134.10509	1.7
135.08058	11.3
137.09615	46.1
137.10626	3.2
147.11768	2.1
149.13257	12.0
163.14806	2.1
173.13243	4.3
191.14287	46.2
209.15346	24.7
311.09778	1.8
312.96402	1.8
334.75961	1.7
390.57678	1.7
438.76044	2.0
464.77829	1.8
505.92807	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	503.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
53.15743	0.9
55.01880	2.4
55.05509	9.3
57.03447	3.7
57.07085	3.0
66.87344	0.9
67.05500	18.7
69.07066	11.7
69.07380	1.2
71.05015	1.6
71.08637	4.7
71.49969	1.1
75.04465	1.3
79.05487	7.7
81.03441	1.4
81.07059	16.5
83.05001	1.3
83.08634	3.5
84.29958	1.1
85.06540	2.2
85.59523	1.1
91.05463	7.9
93.07042	11.8
95.05001	2.8
95.08608	15.8
95.09170	1.4
97.06569	3.7
97.10169	1.7
98.98466	60.0
99.08115	3.7
105.07032	10.1
107.05000	1.5
107.08586	13.2
109.06518	10.5
109.10152	8.5
111.08094	2.1
116.99547	2.7
117.07030	2.1
119.08572	12.2
119.09241	1.2
121.06543	2.5
121.10125	7.9
122.07364	1.3
123.08064	30.5
123.11740	2.5
125.09681	1.1
131.08611	4.5
133.06470	1.0
133.10123	9.1
135.08043	16.1
135.11732	2.9
137.09636	2.0
145.10115	5.8
147.11708	5.0
149.09677	4.5
149.13286	2.6
151.11136	1.2
157.10197	2.0
159.11726	4.6
161.09633	2.1
161.13292	2.0
163.11237	1.9
163.14929	1.2
165.12775	2.6
167.14325	2.1
169.10204	1.0
173.02097	14.5
173.13309	1.6
175.14864	6.4
177.12782	5.7
179.14313	37.5
180.42215	1.0
189.12769	1.2
191.14275	2.2
193.12245	1.2
193.15932	2.0
199.19978	1.1
204.20493	0.9
205.15866	6.8
233.19054	1.2
247.20641	2.1
263.20139	2.9
275.20059	5.1
285.09991	1.1
289.21747	4.8
289.24905	1.2
293.21198	2.3
303.26788	9.5
303.29694	1.2
313.25330	1.3
319.22681	1.5
331.26294	100.0
347.25949	1.5
349.17053	2.4
349.23453	2.0
349.27319	14.5
358.16382	2.3
369.27966	1.6
375.28915	1.6
387.28748	4.7
405.29977	57.5
423.31128	4.8
473.22141	1.1
485.26642	3.6
503.20129	1.8
503.27509	27.2
503.34039	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	504.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
54.93624	1.1
55.01872	2.1
55.05528	1.2
56.05033	6.6
57.03448	5.0
57.07071	13.2
58.06612	2.8
61.02932	6.4
67.05506	2.4
69.03433	16.7
69.07072	5.5
70.06598	6.3
70.65366	3.5
71.04997	2.6
72.08157	6.1
73.02921	3.4
74.06081	18.1
74.06440	0.7
74.09721	9.1
75.05595	3.7
79.05502	3.6
80.05025	1.3
81.03415	7.1
81.07068	2.4
84.04519	4.9
84.08141	4.1
85.02911	24.7
86.06077	2.3
86.09710	51.8
87.04468	4.4
87.60732	1.0
88.03995	6.7
91.03944	2.9
91.05485	4.6
93.07030	5.1
95.04975	17.2
95.08610	1.1
95.39275	0.9
95.71149	0.9
96.04498	2.5
96.08125	1.4
97.02890	12.8
97.06572	1.1
98.06049	6.2
98.09685	1.6
99.04463	2.4
100.07635	1.2
100.11250	2.6
101.07146	14.7
102.05547	2.9
103.03944	1.2
105.07021	2.4
106.06567	3.7
107.04955	13.5
109.02895	4.4
109.06522	2.6
110.09671	3.6
111.04506	1.3
111.18365	1.0
113.08397	1.7
117.07040	4.2
120.06596	4.2
120.08082	2.4
121.02888	2.7
121.06521	3.5
122.06034	1.1
122.09688	1.9
122.10886	1.1
123.04414	9.9
124.03948	20.4
124.07591	1.6
124.11153	1.2
125.02351	1.9
126.09161	2.9
127.03957	5.3
129.07062	2.6
129.10248	1.1
131.04980	2.1
133.06567	2.5
134.09599	1.3
135.04475	2.9
135.08058	2.7
137.05942	1.1
138.05504	3.0
138.09152	3.6
139.03903	6.6
140.07071	1.3
142.12302	6.5
143.11790	23.9
144.10204	31.6
145.04951	2.6
145.06490	4.0
147.08054	1.7
148.07590	2.8
149.02390	3.4
149.05991	3.1
151.03923	6.0
152.10745	1.2
152.14339	5.2
153.05455	2.2
154.08566	1.2
155.08168	1.8
158.11803	1.5
162.09140	3.0
162.12753	6.4
163.07616	4.0
164.10806	2.0
164.14314	1.2
165.05475	10.5
166.08661	1.7
167.03427	5.2
167.07030	2.6
169.13393	1.4
171.11288	13.7
173.05991	3.3
173.12892	1.9
175.07478	1.2
176.07045	2.6
177.05511	2.3
178.08600	1.2
180.10207	27.2
180.11760	1.4
180.13840	4.3
182.11777	2.4
184.06071	3.0
184.13310	1.8
185.04462	3.5
187.14421	57.2
188.90839	1.1
190.08688	3.2
190.12314	2.0
191.07040	4.5
194.11763	7.3
196.13322	1.8
199.06012	9.0
204.14014	2.9
208.09746	3.8
215.13902	20.4
219.06451	1.3
222.11382	1.3
222.14935	2.8
230.10310	2.6
232.13330	7.2
233.15059	1.8
236.09142	1.5
237.31328	1.1
240.12308	7.8
242.11800	1.4
246.14851	1.4
250.14473	4.6
254.14093	2.9
256.13025	2.3
260.12787	2.2
264.16022	3.7
269.10190	7.1
272.16119	30.0
274.14334	2.1
278.13974	4.4
282.17029	9.3
290.17233	3.8
292.15396	9.7
304.91058	1.1
310.16504	36.1
324.18005	20.5
342.19116	85.3
343.19516	1.7
357.24896	12.7
385.24237	6.0
444.22232	2.4
461.19812	1.2
472.21780	20.3
486.23126	2.4
504.24442	100.0
505.22864	10.2
506.09998	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	504.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18829	0.9
51.48946	1.0
53.03940	2.2
55.01861	2.9
55.05500	2.9
56.05025	2.2
57.03431	2.9
60.04510	1.4
61.02930	4.4
67.05492	2.0
69.03430	13.4
70.03413	3.5
70.06593	22.2
71.05000	2.7
72.08155	2.2
73.02918	2.3
74.06059	1.5
74.15895	0.8
79.05472	3.2
81.03405	6.9
81.07056	1.6
82.06571	3.2
83.04959	3.2
84.04516	1.2
84.08137	5.8
85.02905	20.4
86.06060	10.4
86.09706	3.5
86.17952	1.0
87.04454	3.0
91.03932	1.0
91.05479	3.6
93.07103	2.0
94.06526	1.9
95.04968	5.6
96.08135	2.9
97.02892	7.4
97.08920	1.8
98.06051	27.1
99.04453	2.0
99.06828	3.1
100.07619	2.0
101.06013	15.6
105.07013	1.8
106.06539	1.4
107.04954	2.2
108.08128	1.5
109.02868	4.3
110.09691	9.6
112.07585	2.9
113.08368	4.7
114.05495	1.4
116.07086	1.2
117.06992	2.0
119.08572	1.2
120.08109	8.1
121.06499	2.3
121.08879	1.0
121.10157	1.2
122.05999	1.2
122.09665	4.7
123.04449	1.2
124.03958	1.4
124.07576	2.0
125.02409	1.0
126.09150	1.5
127.03898	4.3
128.34888	0.8
129.06984	1.9
129.10246	2.8
130.05003	1.0
131.05025	1.1
131.08597	1.2
132.08162	1.3
133.06496	2.4
133.10138	0.8
134.09633	5.6
135.08054	2.1
136.07591	2.0
136.11206	1.2
137.05974	3.3
138.09146	11.3
139.03874	1.4
140.33838	0.9
142.08669	1.5
144.08043	1.1
145.04971	2.3
145.06544	1.3
145.10086	1.4
146.09653	2.3
147.04391	1.9
147.08032	2.6
151.03886	2.6
151.30760	0.8
152.05896	1.0
152.07056	1.2
152.10660	1.0
153.05486	1.5
160.11281	1.0
161.05939	1.9
162.05450	1.1
162.09132	17.1
162.12714	2.3
163.07584	1.3
163.09883	1.9
164.07112	3.3
164.10750	3.3
165.05435	5.5
167.07002	1.7
172.07576	1.3
172.11209	3.2
174.06836	1.3
175.07571	1.1
176.10771	1.3
178.08606	1.7
180.10155	2.7
186.12781	4.0
188.10698	1.1
188.14336	1.3
190.08630	9.4
190.12233	6.9
190.71700	0.9
191.06998	1.2
191.09416	3.0
192.10136	1.3
194.11790	3.5
195.12601	1.1
196.11235	1.1
200.10814	1.1
204.10223	1.3
204.13814	2.0
208.09692	13.6
208.13240	0.9
214.12239	7.7
216.13765	2.2
219.05463	1.1
222.11145	4.7
223.12228	1.4
232.13338	7.7
234.14943	1.2
240.12213	4.8
242.11862	6.4
254.13774	1.3
260.12790	13.5
264.15970	1.4
274.14362	5.4
278.13873	21.4
292.12094	1.7
292.15439	21.3
310.12964	6.6
310.16443	93.1
311.16953	1.6
324.14346	3.8
324.18088	6.0
342.15399	7.8
342.18851	1.0
343.12582	1.3
345.61734	1.2
366.78174	1.0
440.18692	1.7
454.20892	7.2
472.21783	100.0
473.21979	3.8
486.23553	14.1
504.20569	18.2
505.22406	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	504.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
53.80840	0.8
55.01873	1.6
55.05503	1.0
56.05027	1.6
57.03420	1.9
60.16059	0.8
61.02930	4.6
65.03910	1.1
67.05508	2.0
69.03432	15.0
69.07047	1.3
70.06591	10.9
70.61868	1.8
71.04984	3.6
72.08131	3.0
73.02907	2.4
79.05489	2.8
81.03430	6.8
81.07048	2.0
82.06570	2.6
84.04488	1.7
84.08131	4.4
84.30167	0.9
85.02914	20.9
86.06062	7.8
86.09695	3.5
87.04442	2.6
91.03956	1.5
91.05479	5.9
93.07034	1.8
95.04975	5.6
96.08118	3.3
97.02904	11.1
97.08932	1.8
98.06052	30.4
99.04443	2.6
99.06833	5.0
100.07625	3.2
103.05450	1.2
105.07050	4.8
106.06567	1.7
106.07327	1.3
107.04955	2.6
107.08583	1.0
108.08090	1.6
109.02877	4.2
109.06522	1.3
109.08892	0.9
110.05975	0.7
110.09685	10.1
111.04464	1.8
112.07627	2.1
113.08401	5.5
115.05380	0.9
116.22860	0.9
117.05736	0.8
117.07057	1.4
119.08588	2.4
120.08108	11.3
121.06474	2.3
121.08888	1.6
121.10126	2.1
122.09684	4.9
123.04435	1.9
127.03889	4.5
129.07011	2.4
129.10225	1.6
130.05022	1.4
131.08565	1.3
133.02696	0.8
133.06468	2.6
134.09645	6.8
135.04338	1.7
135.08078	1.3
135.10390	1.1
136.07579	2.0
136.11162	1.7
138.09145	14.1
141.07030	1.0
143.08540	1.1
144.08118	1.5
144.98018	0.8
145.04958	2.4
145.06512	1.0
145.10068	0.9
146.09702	2.0
147.04408	1.2
147.08011	2.2
148.07536	1.6
149.09616	9.2
150.10049	4.4
151.03897	1.4
152.10718	1.7
153.05510	1.7
158.09753	1.1
161.05945	1.3
162.09140	21.9
162.12788	3.3
163.09857	1.4
164.07043	3.0
164.10716	4.5
165.05458	5.9
167.07031	2.1
167.10684	2.5
168.10970	1.6
171.07997	0.9
172.07475	0.8
172.11186	2.6
173.09630	0.9
173.12900	1.2
174.09154	0.9
175.07535	1.1
176.10696	1.7
178.08592	1.1
180.10173	1.1
186.09193	0.9
186.12759	3.2
187.11166	1.0
188.10718	1.6
190.08655	11.9
190.12277	8.0
191.07031	1.1
191.09346	3.7
192.10210	1.7
193.04982	3.0
194.11768	3.2
204.10217	1.7
204.13794	2.8
208.09680	17.5
208.13480	0.9
214.12285	8.7
216.10228	1.0
216.13794	1.4
222.11314	5.6
224.10637	0.9
224.12772	1.4
232.13313	9.7
234.14886	2.5
240.12302	6.7
242.11755	8.8
246.14899	1.4
254.13901	1.9
260.12781	17.2
264.15952	1.5
274.14377	5.5
278.13876	22.0
289.85162	0.9
292.15469	21.0
297.51343	1.0
310.16489	100.0
311.16769	3.1
324.17953	8.0
342.15430	1.5
440.19247	2.0
454.20831	5.1
472.21783	99.7
473.21912	3.5
486.23401	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05505	2.5
57.03428	1.2
59.98851	0.4
61.02919	1.3
65.03934	0.9
66.94254	0.4
67.05499	2.3
69.03412	2.3
69.07067	3.7
70.06574	1.1
70.41016	0.7
70.41409	0.7
71.04988	0.4
73.02914	6.0
76.48833	0.4
79.05495	3.1
81.07051	5.8
83.04977	0.7
83.08612	1.4
85.02906	5.4
91.05476	10.7
93.07036	3.8
95.04957	0.9
95.08607	7.4
97.02904	3.8
97.06556	2.2
98.20905	0.5
103.05466	1.2
104.06269	0.7
105.07030	16.5
107.04926	0.5
107.08591	17.2
109.02856	0.4
109.06544	0.8
109.10158	2.2
111.04455	0.7
115.03949	1.9
115.05421	0.4
117.07013	4.5
119.08578	100.0
120.08916	1.3
121.10159	1.8
122.90401	0.4
127.03932	1.5
131.08562	0.8
133.04958	2.5
133.10120	8.5
144.53990	0.4
145.04955	2.7
145.10095	1.2
147.11670	2.4
150.07623	0.7
161.13252	1.5
163.03934	0.5
163.06024	1.2
175.14818	30.2
177.16359	2.2
241.07079	1.1
259.07892	1.9
267.07867	0.5
295.10318	1.0
321.67117	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	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92234	1.3
53.03942	5.1
54.67008	1.3
55.01869	3.8
55.05508	10.5
56.96553	2.4
57.03431	3.7
57.07062	1.7
59.05004	2.6
61.02916	4.6
62.78405	1.5
65.03925	2.2
67.05502	13.1
69.03439	14.4
69.07072	23.9
70.06588	5.4
70.81754	3.7
71.04995	4.1
73.02913	11.8
79.05501	15.1
80.08884	1.5
81.03416	10.9
81.07057	37.4
82.55820	1.4
83.04982	1.9
83.08617	5.4
83.81657	1.3
85.02909	26.0
87.00832	7.4
91.05472	27.7
93.07039	22.3
95.04990	3.7
95.08607	37.5
95.09194	2.8
97.02889	14.2
97.06555	9.4
97.10188	3.1
99.04465	5.9
103.05447	2.5
105.01859	6.6
105.07034	49.6
107.04912	1.6
107.08591	32.8
109.02865	8.8
109.06510	2.4
109.10159	14.2
115.05504	1.8
117.07026	7.5
119.08580	100.0
121.10137	12.0
123.11697	5.8
127.03914	19.9
129.01855	1.6
129.55856	1.5
131.08556	5.3
133.04976	2.8
133.10126	55.2
135.11691	12.1
137.05954	2.1
145.04967	11.6
145.10118	4.7
147.11707	24.9
149.13271	3.6
153.12781	2.7
159.02879	6.2
161.13243	6.2
163.05957	1.7
163.14796	2.4
175.14819	78.4
192.17476	6.6
193.15871	2.7
201.09270	1.6
203.17957	26.8
208.89468	1.4
219.98851	1.6
231.04955	2.9
261.92038	1.5
311.12732	2.5
312.13141	6.0
505.11414	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	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05509	2.6
57.03436	0.7
59.04990	0.5
60.70449	0.2
61.02927	0.8
62.06086	0.5
67.05494	0.9
69.03425	2.9
69.07060	0.9
70.06585	0.4
71.04964	0.4
71.07371	0.2
71.08246	0.4
71.08632	5.3
71.49591	0.4
71.49998	0.3
72.08172	1.1
73.02905	0.6
79.05468	0.9
81.03426	1.4
81.07072	1.6
83.04986	2.7
83.08617	0.4
84.04478	0.4
84.08139	0.9
85.02905	4.5
86.06070	4.1
86.09707	0.3
87.04481	0.5
91.05457	0.6
93.07041	0.8
95.04929	0.3
95.08611	1.9
96.08130	2.2
97.02887	2.2
97.06532	2.8
98.06043	0.6
98.09702	2.5
99.04461	0.6
99.08098	3.0
101.06020	3.1
105.07037	0.5
107.08578	0.8
108.08128	1.3
109.02891	0.7
109.06519	0.3
109.10121	0.5
111.04446	3.3
114.09180	0.4
116.10735	15.2
119.08592	0.6
120.08096	0.3
121.10169	0.3
122.09691	1.4
123.08079	0.2
124.07571	0.4
126.09175	0.5
127.03913	1.0
127.79778	0.2
129.05479	2.7
133.10083	0.3
136.11205	0.7
137.09615	0.2
139.03914	0.3
140.10692	0.7
140.68721	0.2
142.08629	0.8
143.10649	1.5
145.04999	0.5
147.06531	2.9
149.05940	0.2
149.13219	0.3
154.08519	0.3
154.12312	0.3
154.15904	3.0
155.06989	0.4
163.03889	0.4
164.14284	0.3
166.15927	2.0
168.17400	0.6
170.15286	0.3
173.08086	0.8
178.15939	1.0
182.15370	0.5
190.12267	0.4
196.16966	6.1
208.13409	0.5
214.18019	100.0
215.07036	0.4
215.18379	0.5
226.14394	2.6
244.15454	8.5
259.09631	0.6
267.07846	0.8
277.15384	0.3
291.10699	0.6
324.21698	0.6
342.22751	9.2
376.23294	13.4
388.19528	0.4
406.20779	1.4
504.27814	3.7
504.35675	0.8
505.10944	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08079	0.8
55.01869	1.7
55.05515	7.2
56.96563	1.1
61.02927	0.9
62.06086	1.3
67.05506	3.4
68.19438	0.9
68.35620	0.8
69.03432	5.9
69.07063	3.1
69.22974	7.1
69.23380	1.4
70.06596	3.6
71.04999	1.0
71.08643	8.8
72.08178	1.7
73.02918	1.9
79.05492	2.9
81.03429	2.0
81.07061	5.6
82.06583	1.1
83.01365	1.1
83.04987	7.2
83.08614	0.9
84.08140	1.8
85.02917	7.6
86.06079	13.7
87.04488	1.0
89.03903	1.1
91.03987	1.1
91.05479	2.4
93.07055	2.9
95.04980	2.9
95.08630	4.5
96.08144	4.0
96.55820	0.9
97.02907	3.7
97.06535	11.2
98.09707	10.2
98.20807	1.9
99.08112	9.0
101.06023	3.5
105.07041	2.9
107.08605	3.2
108.08151	1.3
109.02913	2.3
109.06522	1.2
109.10157	2.5
111.04449	6.3
116.10735	22.6
116.98660	1.0
117.03428	1.9
119.08601	4.4
121.06501	1.3
121.10186	2.3
122.09653	1.2
127.03941	3.8
129.05498	1.9
129.06979	1.4
131.08554	1.3
133.10112	1.6
135.08145	1.2
137.05989	2.7
137.09612	1.1
139.03899	1.1
141.06981	0.9
142.08640	8.6
142.12283	1.8
143.10695	3.7
145.02881	3.3
145.04990	1.3
145.10144	1.7
155.07080	2.0
159.11656	1.1
162.12776	1.2
163.03902	1.8
163.11185	2.5
164.10730	5.4
165.09135	1.7
173.08044	1.8
173.09569	1.1
177.05478	6.1
180.13855	2.2
182.15437	4.3
183.06660	1.1
190.12296	3.9
198.14894	2.1
205.12363	1.0
208.13330	6.2
209.11646	1.7
214.18034	6.8
215.07137	2.3
226.14394	30.7
227.12849	2.4
244.15459	100.0
259.09607	1.3
261.13379	3.0
267.07910	3.5
307.19113	1.7
311.12930	1.2
312.13141	2.3
324.21671	3.6
342.22754	20.2
350.11502	0.9
388.19647	1.9
400.81613	0.9
406.20798	13.2
504.18539	1.5
504.27515	3.5
505.11136	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	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05502	2.9
56.96557	0.4
59.05003	0.4
62.97470	0.4
67.05486	1.4
69.03437	2.2
69.07050	0.6
69.80057	2.4
70.06589	1.1
71.04987	0.7
71.08630	4.5
72.08146	1.1
73.02936	0.7
79.05492	1.0
81.03419	1.0
81.07050	1.8
83.04970	2.9
83.08631	0.5
84.04495	0.6
84.08131	0.9
85.02900	3.9
86.06063	3.7
86.09683	0.5
93.07044	0.8
95.04909	0.4
95.08609	1.3
96.08116	1.5
97.02880	1.8
97.06528	4.4
98.06036	0.7
98.09707	2.9
98.21622	0.4
99.08083	2.5
101.06010	3.1
107.08551	0.5
108.08131	0.8
109.10130	0.5
111.04433	3.6
116.10732	12.6
117.03378	0.4
118.36553	0.3
121.06577	0.5
122.09666	1.1
127.03926	1.1
129.05467	2.3
135.04440	0.4
136.11191	0.6
137.05975	0.4
139.03935	0.6
140.10637	0.6
143.10681	1.8
145.04956	0.4
147.06549	1.9
154.08725	0.6
154.12227	0.4
154.15894	3.0
157.04849	0.5
160.80963	0.4
163.03873	1.2
164.14293	0.4
166.15923	2.0
168.17465	0.7
173.08090	0.8
178.15871	1.8
179.07025	0.5
196.16983	6.5
196.18765	0.4
205.42780	0.4
214.18018	100.0
215.18304	0.8
221.06242	0.6
226.14348	3.4
244.15443	3.5
259.09787	0.8
267.07849	1.5
273.09586	0.5
291.10815	0.4
295.07376	0.5
302.58167	0.4
312.13098	1.0
324.21664	1.8
342.22760	11.8
357.13593	0.5
376.23309	9.7
379.80737	0.5
398.96677	0.4
406.20551	0.6
504.28027	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	505.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.3
55.01875	0.6
55.43519	0.3
57.03440	1.8
61.02936	3.1
67.05515	1.6
67.93987	0.2
68.37122	0.3
69.03436	8.7
70.22699	1.1
71.04984	1.0
73.02920	1.4
77.03944	0.5
79.05496	0.6
81.03427	3.4
83.01328	0.3
85.02911	13.1
86.54182	0.3
87.04487	1.5
91.03953	1.0
91.05491	0.5
92.04998	0.3
95.04973	6.1
96.04528	0.3
97.02897	6.0
99.04457	1.1
104.05027	0.3
105.03405	1.2
107.04952	0.6
109.02863	2.2
109.06502	0.5
116.05004	0.6
118.06540	0.5
120.04477	1.4
123.04440	3.9
127.03921	2.7
133.02852	1.0
137.06000	2.4
144.04442	6.9
145.04984	1.7
146.02478	0.3
146.06087	0.4
151.03909	10.9
151.11348	0.3
160.06320	3.4
160.07568	0.4
160.81555	0.3
161.07112	24.7
162.05524	1.6
165.05486	26.0
165.12822	0.6
173.07144	0.4
175.07591	0.3
184.06310	0.5
185.07104	4.4
194.92957	0.3
195.05528	0.4
195.09219	0.3
196.06262	1.6
197.07132	3.2
198.66731	0.3
199.05118	0.3
208.06328	1.1
209.07077	0.4
209.15356	1.6
210.15736	1.0
211.08504	0.3
211.16008	0.7
213.06598	9.8
213.10017	1.3
213.27597	0.3
214.07256	0.4
220.07530	0.5
221.07199	0.4
222.07913	0.5
223.08669	100.0
224.09135	1.7
225.06645	2.5
225.10233	3.1
228.05081	0.4
235.08702	0.6
237.10219	3.6
241.06082	14.7
241.09682	2.5
242.06517	0.4
245.09361	0.3
247.08675	4.6
248.07083	0.6
249.10173	0.4
250.07416	0.4
255.07669	5.2
257.09171	1.0
263.07996	0.3
265.09760	3.4
267.11298	1.0
273.08734	1.2
275.08084	0.4
283.10828	1.1
293.09210	6.6
297.12402	0.3
307.10715	2.7
311.10269	22.1
312.10748	0.3
325.11850	23.2
326.12341	0.5
343.12903	88.0
344.13168	2.1
447.06152	0.3
464.74341	0.3
470.67349	0.3
473.15543	1.4
487.21738	0.4
496.46600	0.3
505.17990	19.5
506.18353	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	505.1957
Annotation	tetranaphthylene
Peak:m/z	Relative Intensity
52.16552	2.3
55.05516	3.5
56.96302	3.3
56.96563	33.0
57.03423	3.8
61.02914	3.4
61.84318	2.6
67.05473	2.4
69.03425	14.0
70.06580	6.8
70.96292	4.8
71.41929	1.9
72.08131	4.8
79.05460	3.5
81.03395	5.9
81.07030	3.5
82.20654	2.3
83.04971	3.9
84.08106	4.3
85.02905	15.6
86.06055	4.0
86.09692	3.5
87.06371	2.4
91.03935	2.8
91.05458	9.7
93.07042	4.8
95.04922	2.8
95.08522	2.1
97.02885	8.5
98.06059	4.9
98.21460	2.7
98.97578	82.2
98.98219	4.4
99.04480	2.1
99.06364	2.3
102.05521	2.7
102.77003	2.4
105.06984	4.1
107.04926	7.4
107.08585	2.7
109.02847	3.8
109.10198	2.2
115.00745	2.0
115.04074	2.2
116.97851	3.7
116.98616	48.7
121.06481	3.8
121.10073	4.3
124.07583	5.5
127.03900	3.8
127.09534	2.2
129.10193	2.3
133.06493	3.6
133.56372	2.0
134.99637	18.9
135.04385	8.3
136.07555	2.2
137.05899	2.5
138.05428	2.7
138.09100	2.3
142.08591	2.5
143.00131	5.2
145.01711	3.4
147.04379	2.2
148.07568	2.3
149.05907	2.8
150.09929	2.8
153.05466	4.4
155.03784	6.7
158.99643	19.4
159.03279	3.3
161.01199	5.6
163.02718	6.0
165.05354	3.0
167.07001	2.6
172.03958	2.9
173.04846	10.9
177.00694	29.7
177.05496	4.5
180.03616	2.1
181.05292	2.8
183.03259	2.5
185.04819	2.6
187.02776	3.9
190.04941	4.0
190.08733	2.4
193.04950	5.1
194.05309	3.1
195.06615	5.4
199.06384	9.1
201.04362	3.7
204.06485	3.4
205.10510	3.4
207.06885	3.7
209.07927	3.4
211.06471	10.4
213.08038	4.0
215.09424	3.0
217.07498	4.2
219.01712	5.6
222.07788	3.4
225.07977	29.9
229.07457	30.5
231.09085	11.8
237.02776	3.0
239.09473	8.2
241.16925	2.2
243.09024	22.2
247.08482	9.2
253.07458	5.2
255.12599	3.9
257.10577	9.1
261.10172	2.5
265.11264	13.5
267.09039	20.9
271.08499	14.5
273.09943	3.1
282.11035	3.1
283.12354	24.6
285.09982	10.9
293.09167	2.4
293.15494	2.4
300.08078	2.1
301.13162	21.7
302.08249	3.7
311.10251	2.6
311.16754	8.7
319.14111	2.7
325.13217	100.0
326.10110	3.5
342.15439	3.6
343.13950	71.1
366.15903	3.4
385.15314	25.6
422.55316	2.7
445.17471	29.3
463.18469	38.5
473.22305	11.8
487.23361	3.9
505.19510	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.0
69.17134	4.8
81.07051	0.5
81.63421	0.4
93.07058	0.7
93.23212	0.4
95.08597	0.4
104.11858	0.4
107.92245	0.4
121.10188	0.5
121.94032	0.4
192.87801	0.4
216.75096	0.4
333.20285	1.8
351.19955	0.6
364.06857	0.4
505.31369	100.0
506.31848	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	505.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01873	1.6
55.05513	11.7
57.03418	2.1
57.07073	41.8
59.46917	0.8
65.03932	1.2
65.55051	0.7
66.78360	0.7
67.05504	24.4
69.03431	1.7
69.07070	9.4
70.03238	2.8
70.03648	1.4
70.59261	0.7
71.04983	1.8
71.08629	28.9
79.05487	13.1
81.03416	87.5
81.07055	30.1
81.07539	1.3
83.04974	3.4
83.08617	27.9
85.02866	0.8
85.06526	0.8
85.10178	15.3
91.05474	16.1
93.05716	0.7
93.07038	7.3
95.04964	21.1
95.07990	1.7
95.08603	27.6
97.02905	1.4
97.06535	1.6
97.10169	8.3
97.81721	0.6
98.20760	0.8
99.11736	1.9
105.07028	13.0
107.04950	5.2
107.08583	2.8
109.06507	3.1
109.10148	14.1
111.04469	2.2
111.08069	8.6
111.08727	1.0
111.11732	1.6
115.05448	1.2
117.07050	1.4
119.04909	1.6
119.08578	10.6
121.06530	2.3
121.10143	4.2
123.04387	1.1
123.08064	1.0
123.11699	5.5
125.13223	1.6
125.50532	0.6
128.06247	0.8
129.06990	9.9
131.08560	6.9
133.06483	3.7
133.10143	3.8
137.09645	1.4
137.13240	3.3
142.07790	3.5
147.08061	2.4
147.11647	5.8
149.09567	4.4
151.14862	1.3
151.74048	0.7
157.10121	8.4
175.11177	10.2
179.14317	2.2
193.12233	56.5
203.82246	0.8
221.22821	1.3
231.13744	1.5
239.23691	9.5
249.14845	7.3
277.21552	0.8
298.86691	0.6
505.38895	100.0
506.39230	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01868	1.7
55.05510	13.5
57.03429	1.9
57.07074	46.0
57.64384	0.7
62.06509	0.7
65.03947	1.5
67.05503	28.8
69.03417	1.1
69.07070	10.8
69.18866	7.7
71.04993	0.9
71.08630	33.2
79.05488	12.9
81.03418	99.6
81.07051	31.2
81.07541	1.0
83.04962	3.8
83.08617	29.7
85.06534	1.5
85.10184	17.4
91.05475	18.5
93.07040	8.6
95.04964	25.6
95.08606	33.2
97.02899	2.7
97.06516	1.0
97.10174	7.6
99.08089	1.8
99.11744	1.1
105.07024	13.9
107.04955	5.8
107.08591	4.0
109.02840	0.8
109.06522	3.3
109.10157	16.0
111.04449	1.0
111.08060	8.0
111.11719	2.3
115.05452	1.0
116.06245	0.8
117.07005	1.4
119.04943	0.8
119.08584	11.5
121.06513	3.1
121.10140	4.6
123.04407	1.8
123.08067	1.7
123.11701	6.4
125.13271	1.4
128.06221	1.3
129.06985	9.3
131.08560	9.3
133.06479	2.9
133.10127	3.9
137.09621	1.8
137.13248	3.5
142.07782	3.1
145.10065	1.7
147.08046	3.4
147.11696	6.8
149.09656	4.1
151.14874	1.0
157.10126	8.8
165.12733	1.6
165.16400	1.2
175.11159	10.2
185.13345	0.9
193.12238	62.5
194.12456	0.8
221.22589	1.6
231.13820	1.2
239.23709	11.9
249.14899	8.3
264.37317	0.7
277.21695	0.8
350.20850	0.7
505.38889	100.0
506.39148	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	505.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01873	1.8
55.05510	15.1
57.03427	1.9
57.07076	40.7
65.03944	1.4
67.05505	28.1
69.03442	1.6
69.07068	12.4
70.84677	1.4
71.04978	1.8
71.08631	33.8
72.38995	0.8
76.50607	0.7
79.05493	13.8
81.03419	89.0
81.07056	28.8
82.03738	0.9
83.05009	3.3
83.08620	28.7
85.06544	1.4
85.10182	16.6
91.05479	21.2
93.07047	9.9
95.04968	23.7
95.07993	1.4
95.08607	28.5
97.02893	2.5
97.06595	1.0
97.10158	7.3
99.08051	1.0
103.05487	0.8
105.07030	14.2
107.04944	6.7
107.08611	5.0
109.06530	2.7
109.10154	16.8
109.10867	1.2
111.04421	1.3
111.08088	7.3
111.11747	1.2
115.05451	1.5
117.07031	1.6
119.04916	0.9
119.08585	12.0
121.06519	2.4
121.10161	4.3
123.04423	1.3
123.08091	2.0
123.11710	5.5
125.09623	1.9
125.13312	1.0
128.06198	1.0
129.07001	11.2
131.08559	7.8
133.06499	2.8
133.10110	4.4
135.08052	1.1
135.11745	1.3
137.09630	1.1
137.13284	2.3
139.11214	0.7
142.07758	3.2
145.10149	1.3
147.08052	3.5
147.11716	5.7
149.09621	4.6
151.14864	1.0
155.08548	0.7
157.10133	8.1
158.10449	0.7
163.11208	1.8
165.12779	1.1
175.11208	9.8
175.12610	1.1
185.13303	0.8
189.11185	1.3
193.12244	59.7
194.12575	1.4
221.22733	0.9
227.12750	0.9
231.13873	1.3
239.23691	9.9
249.14841	7.8
261.73138	0.7
275.20261	1.2
293.21069	0.9
381.45941	0.7
402.38641	0.7
505.38934	100.0
506.39166	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	506.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88591	0.9
55.01868	1.4
55.05511	10.2
56.96557	1.2
57.03425	1.9
57.57296	1.0
59.25886	1.1
65.03923	1.4
67.05495	13.2
69.03432	2.9
69.07066	14.7
71.49578	1.7
73.02923	5.6
79.05486	9.0
81.03429	1.6
81.07063	10.2
83.08620	7.4
85.02913	3.6
86.09721	1.9
91.05484	5.9
93.07047	18.1
95.04955	2.9
95.08607	100.0
97.02892	3.2
97.06513	6.7
97.10154	2.4
103.74707	0.9
105.07025	6.4
107.04975	1.2
107.08588	34.3
108.08958	1.1
108.46772	1.0
109.06527	2.3
109.10159	18.5
111.04403	1.2
115.03889	2.1
117.07037	1.2
119.08582	3.8
121.10137	65.1
122.10886	1.7
123.08102	1.4
123.11720	1.6
127.03887	1.6
131.08580	1.2
133.05003	2.1
133.10150	1.3
135.08121	1.3
135.11694	8.4
145.04935	1.9
149.13228	6.1
150.33427	1.3
163.03821	1.2
177.16386	98.7
191.14223	1.1
227.12872	1.4
380.04700	2.3
503.96918	1.1
506.11655	6.0
506.19839	2.4
507.11865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01872	16.1
55.05512	16.2
56.96572	3.3
57.03437	5.3
61.02946	3.0
61.81340	2.0
65.03934	4.1
66.11672	2.0
67.05508	33.1
68.16360	2.2
69.03434	9.1
69.07066	35.0
69.34133	5.7
69.34517	21.5
70.06570	2.6
71.04996	5.9
73.02921	2.5
79.05489	20.3
81.03394	11.5
81.07054	19.5
83.04973	13.0
83.08614	4.2
85.02908	15.3
86.09736	3.5
91.05472	16.4
92.73056	2.5
93.07052	20.8
95.04978	13.8
95.08590	16.5
97.02903	4.9
97.06535	45.6
97.10185	5.7
98.06855	3.6
98.20808	5.1
98.97603	3.7
99.04480	3.1
105.07038	8.3
107.04981	11.4
107.08588	14.3
109.06511	5.0
109.10168	17.5
111.04444	15.5
117.07030	4.3
119.08588	13.1
120.08099	3.9
121.06517	4.4
121.10152	8.2
123.08044	3.2
123.11720	2.3
125.09645	7.6
126.42531	2.6
127.60578	2.3
129.05496	2.2
131.05023	2.4
131.08582	7.3
133.06488	4.1
133.10152	8.1
135.04506	3.3
135.08142	5.5
135.11711	4.3
137.06010	2.7
137.09644	9.9
139.03915	2.3
139.07553	2.5
141.27032	2.4
143.08536	6.2
145.10168	5.3
146.43553	2.4
147.08020	3.3
147.11742	4.0
149.09636	8.5
149.13229	3.3
151.11214	2.5
153.05615	2.3
153.09137	6.3
157.04962	2.6
157.10112	3.0
159.11772	2.8
161.06041	2.8
161.09595	4.5
163.03885	4.4
163.11215	2.9
165.05574	3.1
165.09154	8.6
173.11845	3.7
173.13240	5.5
175.11220	6.5
179.10812	3.0
184.07358	3.8
189.11241	3.4
193.12172	3.3
195.13861	6.4
205.12308	4.0
249.02730	2.9
259.09601	5.1
263.20047	6.0
267.15967	4.2
269.07611	6.9
273.18509	11.4
287.12872	3.0
291.19534	58.5
297.06934	3.9
303.27054	2.3
303.57932	2.8
309.20615	100.0
331.15222	3.1
355.15601	4.0
375.76358	2.3
471.12396	4.1
506.23251	2.9
506.31976	2.8
507.22342	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	506.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01872	16.1
55.05512	16.2
56.96572	3.3
57.03437	5.3
61.02946	3.0
61.81340	2.0
65.03934	4.1
66.11672	2.0
67.05508	33.1
68.16360	2.2
69.03434	9.1
69.07066	35.0
69.34133	5.7
69.34517	21.5
70.06570	2.6
71.04996	5.9
73.02921	2.5
79.05489	20.3
81.03394	11.5
81.07054	19.5
83.04973	13.0
83.08614	4.2
85.02908	15.3
86.09736	3.5
91.05472	16.4
92.73056	2.5
93.07052	20.8
95.04978	13.8
95.08590	16.5
97.02903	4.9
97.06535	45.6
97.10185	5.7
98.06855	3.6
98.20808	5.1
98.97603	3.7
99.04480	3.1
105.07038	8.3
107.04981	11.4
107.08588	14.3
109.06511	5.0
109.10168	17.5
111.04444	15.5
117.07030	4.3
119.08588	13.1
120.08099	3.9
121.06517	4.4
121.10152	8.2
123.08044	3.2
123.11720	2.3
125.09645	7.6
126.42531	2.6
127.60578	2.3
129.05496	2.2
131.05023	2.4
131.08582	7.3
133.06488	4.1
133.10152	8.1
135.04506	3.3
135.08142	5.5
135.11711	4.3
137.06010	2.7
137.09644	9.9
139.03915	2.3
139.07553	2.5
141.27032	2.4
143.08536	6.2
145.10168	5.3
146.43553	2.4
147.08020	3.3
147.11742	4.0
149.09636	8.5
149.13229	3.3
151.11214	2.5
153.05615	2.3
153.09137	6.3
157.04962	2.6
157.10112	3.0
159.11772	2.8
161.06041	2.8
161.09595	4.5
163.03885	4.4
163.11215	2.9
165.05574	3.1
165.09154	8.6
173.11845	3.7
173.13240	5.5
175.11220	6.5
179.10812	3.0
184.07358	3.8
189.11241	3.4
193.12172	3.3
195.13861	6.4
205.12308	4.0
249.02730	2.9
259.09601	5.1
263.20047	6.0
267.15967	4.2
269.07611	6.9
273.18509	11.4
287.12872	3.0
291.19534	58.5
297.06934	3.9
303.27054	2.3
303.57932	2.8
309.20615	100.0
331.15222	3.1
355.15601	4.0
375.76358	2.3
471.12396	4.1
506.23251	2.9
506.31976	2.8
507.22342	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	507.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	12.4
61.02905	2.7
69.03442	9.8
70.06577	5.7
70.68845	4.0
70.69212	3.4
72.08145	2.8
81.03417	3.2
83.20091	1.8
84.04489	2.2
84.08144	5.0
85.02911	11.7
95.04955	3.3
95.08668	2.2
97.02904	6.0
98.21432	2.4
98.97578	8.1
101.56668	2.1
107.04914	3.0
112.99158	6.3
116.98599	5.4
120.08154	4.4
121.06593	2.2
124.99116	4.2
126.90908	1.9
127.03922	4.1
130.06557	2.1
131.00171	29.4
134.08984	1.9
134.99660	4.0
137.05989	3.6
143.00154	17.3
147.04399	2.6
149.01224	87.1
151.03859	2.6
153.78397	1.9
155.03830	2.9
161.01218	31.5
163.03906	5.6
167.02278	39.6
172.02835	2.9
173.04895	15.5
176.05235	2.3
177.00751	6.0
179.02240	3.4
181.01741	7.5
189.00677	2.3
195.06496	2.3
199.02777	54.5
211.06332	10.9
217.03835	100.0
219.01987	3.7
229.07474	25.3
235.04887	51.5
237.02975	2.8
240.05350	4.0
241.23259	2.0
255.05479	14.7
273.06442	51.8
291.07516	64.2
291.10754	3.2
296.08286	4.4
304.11700	3.8
304.62149	2.3
309.08514	10.3
314.08853	4.0
323.07953	3.0
323.70752	2.6
341.09134	18.6
359.10101	8.8
371.13892	4.2
397.11594	5.1
415.12744	44.9
432.84177	2.3
433.13834	7.2
489.16098	5.8
507.10449	2.7
507.17191	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	507.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.2
55.01860	3.1
55.05494	2.1
56.96551	6.7
57.03424	2.8
60.04491	1.8
61.02911	5.9
67.05506	3.3
69.03431	75.5
69.07081	9.2
70.03771	1.7
70.06585	9.1
71.04994	3.9
72.08151	1.8
73.02914	2.3
74.06073	2.2
74.69034	1.7
79.05481	5.6
80.47668	1.4
81.03404	7.3
81.07076	8.4
82.33401	1.4
83.04974	6.0
83.08589	2.7
84.04497	3.2
84.08144	3.9
85.02907	52.4
85.06511	2.2
86.03233	2.0
86.09724	8.3
87.04453	3.8
91.03924	2.9
91.05487	4.2
93.07043	15.9
95.04967	3.5
95.08589	7.2
97.02902	15.8
97.06509	3.6
98.03215	1.8
98.97570	11.0
99.04453	2.6
100.07618	1.8
103.05408	2.2
105.07014	6.9
107.04948	7.7
107.08599	10.7
108.05199	1.5
109.02859	6.1
109.06503	4.4
109.10143	3.1
110.07146	1.6
111.04397	2.6
116.98605	10.4
119.08569	3.1
120.08101	2.0
121.06487	3.9
121.10149	26.6
123.08024	2.6
123.11685	4.9
125.09590	5.0
127.03899	12.7
128.98578	2.4
131.08563	3.0
133.10101	3.2
134.99649	6.0
135.08055	22.1
135.11702	2.5
136.07581	2.3
137.05954	2.4
137.07935	2.0
139.03879	3.4
143.01640	1.6
145.04967	12.1
145.10094	2.4
146.99594	2.8
147.08072	1.7
149.09625	26.5
149.13228	1.6
151.03868	5.6
153.05473	3.1
153.09106	3.8
158.10982	2.0
158.99698	5.5
163.03873	3.0
163.11113	2.3
163.14825	3.8
165.05501	1.9
165.12875	2.7
167.10663	23.2
173.13261	19.3
177.00768	9.5
189.02197	5.8
191.14305	71.7
205.01622	13.9
205.08545	1.6
209.15375	19.0
212.21341	1.6
215.14203	2.7
219.01822	4.5
219.05423	3.4
231.05319	2.7
237.02818	10.8
269.03278	1.8
304.11548	1.8
309.11398	5.0
327.12561	32.6
327.16116	2.7
345.13675	100.0
351.09915	1.7
363.09448	5.5
413.07657	3.4
431.08765	3.5
445.17267	4.6
458.57639	2.0
477.16449	3.5
507.15295	1.9
507.20840	2.1
507.60010	3.0
507.93323	3.0
527.14734	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	507.2377
Annotation	Artelastinin
Peak:m/z	Relative Intensity
55.01876	1.8
55.05509	8.4
57.07068	2.3
57.68203	1.4
59.04990	3.6
67.05491	6.7
69.07069	17.4
71.04971	2.4
71.08640	1.5
71.49927	2.1
79.05495	3.2
81.07031	3.6
83.04960	6.4
83.08602	4.9
85.78951	1.3
91.05495	4.5
93.07022	3.6
95.04964	1.7
95.08607	4.7
97.06535	2.5
101.06013	7.4
105.07053	4.2
107.04952	1.8
107.08573	2.5
109.10171	6.9
111.08061	5.6
113.09597	1.6
115.05455	1.8
119.08594	1.8
121.10097	1.5
123.04444	2.1
128.06161	1.8
129.06969	9.6
131.07640	1.4
131.08571	6.1
133.10135	2.0
141.06982	5.6
142.07817	3.5
143.08565	8.0
145.06453	3.3
145.10136	4.2
147.11708	1.6
148.72408	1.4
149.01216	3.1
151.03893	9.5
153.01834	2.4
154.07797	2.1
155.08536	8.6
156.03545	2.2
156.09344	10.3
157.06464	2.7
157.10152	9.9
159.08113	3.6
159.11661	2.0
165.07083	2.2
167.08560	5.3
169.10210	8.3
169.11394	1.7
171.08063	2.6
171.11656	3.1
173.09630	2.7
178.02600	1.9
179.03416	4.9
181.10124	7.9
182.07349	1.5
183.11728	7.8
185.09668	5.2
185.13225	2.8
189.73056	1.6
191.03412	2.0
193.04968	4.6
193.10330	1.6
194.10883	2.2
195.00354	6.6
195.11708	5.6
196.12399	1.6
197.09651	2.3
197.13246	7.4
198.14056	3.3
207.02905	22.2
207.11641	3.6
213.12708	2.7
213.16328	1.5
221.13234	3.0
223.14850	4.1
224.15497	1.9
225.09192	1.9
238.17270	2.1
249.09015	2.2
249.16489	2.4
264.18817	1.8
279.15500	1.8
293.08206	1.9
294.08832	3.1
295.09634	2.8
297.07553	5.6
307.09677	2.0
309.11191	9.1
319.09814	2.5
321.11255	1.8
323.09204	3.9
323.12750	2.9
333.11273	4.9
335.09088	3.2
337.10703	4.7
339.12222	42.2
345.11264	2.4
349.10767	9.9
351.12167	8.4
353.13733	2.0
360.18005	12.5
360.68246	2.1
363.12027	2.4
363.15927	5.6
365.13846	13.3
377.14005	6.9
379.15344	27.7
381.13150	3.3
389.13663	1.8
391.15414	14.0
393.16962	47.8
403.15479	5.6
405.17004	27.3
405.21793	2.3
407.18616	5.5
417.16602	3.4
419.18823	9.0
421.20178	3.9
423.18109	4.7
429.17090	4.1
431.18710	5.5
433.20026	6.7
445.20187	10.4
447.21860	62.6
448.22464	2.4
461.23254	3.3
463.21069	6.6
465.22876	3.2
471.21490	10.0
489.15659	3.5
489.22705	53.7
490.22513	1.9
507.23764	100.0
507.30154	3.5
508.23605	3.2
529.06555	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	507.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.2
56.96550	1.6
57.03405	2.0
57.07084	2.4
61.84489	1.4
67.05505	7.4
69.03425	1.9
69.07066	5.6
69.48186	6.6
69.48605	4.5
79.05492	4.5
81.07063	8.3
83.08598	3.3
85.02920	2.7
85.06553	2.5
86.09711	3.0
91.05498	5.4
93.07057	3.5
95.05031	1.7
95.08597	3.6
98.20876	2.3
105.07053	5.8
106.61170	1.3
107.08592	3.3
109.10172	5.5
111.70049	1.3
115.05457	2.7
116.05294	1.2
117.07026	3.0
119.08579	3.3
120.08105	5.4
121.10159	5.4
128.06221	5.6
129.07048	4.3
130.86662	1.4
131.08611	2.1
133.06439	1.6
133.10197	2.0
135.11705	1.7
137.09674	1.8
139.11198	3.1
141.07057	2.7
142.07716	1.6
143.08568	6.1
145.06514	9.0
145.10219	1.7
147.11720	2.0
147.26863	1.5
151.03882	2.5
153.01894	4.3
154.07776	3.6
155.08563	5.2
157.06555	3.2
157.10172	2.7
159.08044	1.8
165.07022	1.6
166.07880	1.8
167.08583	4.7
169.06549	2.6
169.10184	4.6
171.04529	2.7
171.08084	6.6
179.03416	1.8
179.08638	1.9
181.10138	2.2
182.07291	1.5
182.11009	2.1
183.08055	2.5
183.11705	3.4
185.09685	3.3
193.04965	6.1
193.10152	3.4
195.08101	2.0
195.11656	2.4
197.09712	3.0
199.11139	2.4
203.07080	2.0
205.04993	2.0
207.02908	5.6
207.11760	2.6
209.09663	2.0
213.05441	1.8
216.04265	6.1
217.04922	1.8
223.14922	6.0
231.06543	6.0
238.17213	5.5
249.09201	2.5
249.16553	3.1
253.15862	1.8
273.09357	1.6
273.12799	1.5
277.08655	5.2
280.07346	2.2
283.16876	2.9
287.10867	1.8
295.09756	3.7
301.08667	1.8
305.08060	3.3
307.06033	3.5
309.11215	6.3
322.08420	2.7
337.10684	37.6
351.18295	2.5
353.21808	4.8
363.12329	4.3
377.13779	19.1
389.13861	4.2
391.15375	5.9
401.13943	2.4
403.15121	3.8
421.20084	11.6
442.17841	2.6
445.20123	10.9
447.21994	2.8
457.20233	9.2
471.21591	12.7
489.22763	100.0
507.23203	2.2
507.31348	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	508.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.6
55.05498	12.5
56.96564	4.1
57.03430	12.7
59.84782	3.7
61.02930	7.9
67.01226	3.2
67.05511	23.9
69.03432	8.2
69.07067	5.9
70.06573	12.0
70.15701	4.7
70.16103	11.8
70.32536	3.4
70.41087	3.3
71.04999	5.2
72.08144	4.4
73.02907	5.7
73.65404	3.3
73.96664	4.0
79.05486	14.5
80.05015	5.1
81.03422	36.1
81.07044	16.1
82.06588	29.3
83.04953	15.1
83.08593	16.5
84.04512	4.6
84.08141	8.4
85.02901	24.2
86.06024	3.9
86.09694	11.8
91.03963	4.6
91.05460	20.6
93.07022	12.4
95.04950	18.0
95.08607	7.0
97.02875	10.7
97.06544	7.0
98.97604	3.6
99.08109	4.2
99.48386	3.3
100.07629	20.8
105.07017	13.9
107.04933	7.2
107.08575	7.6
107.40852	3.7
109.06519	6.8
109.10133	13.1
111.08076	9.8
117.07067	3.5
119.08562	12.5
120.08115	8.1
121.06485	6.5
121.10186	4.0
123.08070	5.2
125.09666	5.5
127.03941	5.7
131.08536	7.9
133.10150	6.4
135.08055	4.0
137.05966	10.9
147.11679	9.6
149.09634	6.0
157.10106	7.2
161.05962	4.0
163.11234	4.2
173.11739	5.3
175.11205	11.5
193.12260	45.6
211.13287	36.5
218.15401	5.3
229.14305	31.3
236.16451	10.9
238.54503	3.6
252.09415	5.6
267.15891	21.8
273.71985	3.5
283.06027	3.8
285.16971	100.0
311.18576	3.7
328.21210	28.2
328.24478	5.7
346.22302	16.6
372.74451	4.3
490.26373	10.6
491.14810	9.1
508.18256	6.1
508.27249	11.4
509.15564	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	509.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08643	0.3
61.02915	0.3
67.05511	0.5
69.03429	0.9
70.06591	1.2
70.52313	0.2
70.75216	0.6
70.75588	0.5
72.08150	0.9
79.05455	0.4
81.07058	0.6
82.06602	0.3
84.08141	1.5
84.48652	0.3
85.02914	1.5
86.09709	0.7
91.05484	0.6
93.07076	0.3
94.54720	0.3
95.04976	0.5
95.12554	0.3
97.02918	0.6
107.04980	0.5
107.08582	0.5
119.08533	0.2
120.08109	0.3
129.10213	0.3
132.57733	0.3
135.18323	0.3
136.07582	0.3
137.05998	0.4
137.10709	2.4
163.03900	0.7
165.05544	0.4
166.08583	0.3
167.05548	0.3
167.07021	0.3
177.05553	0.3
198.04996	0.3
213.06378	1.2
222.84050	0.3
237.02803	0.3
245.06224	0.5
255.07487	0.3
263.08908	0.5
287.08762	0.7
303.10660	0.4
329.11087	1.4
347.12112	7.5
347.16177	0.4
347.22687	0.4
389.13077	0.5
491.16199	4.7
509.17435	100.0
510.17719	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	509.2535
Annotation	Tomentosanol E
Peak:m/z	Relative Intensity
55.05504	3.7
57.07071	3.4
67.05492	4.8
69.07066	5.1
72.95436	1.1
77.55948	1.1
79.05495	3.9
81.07027	5.7
83.08593	2.8
85.02917	2.0
85.06548	3.0
91.05481	2.1
93.07021	2.7
95.04969	2.7
95.08598	5.9
98.21638	2.1
105.07032	3.5
107.08606	1.4
108.15871	1.2
109.10175	5.3
115.05504	1.3
117.07004	2.0
119.08576	1.5
121.10147	5.2
123.00784	1.3
128.06239	2.0
129.06990	7.6
131.08565	3.9
133.02876	1.5
139.11163	3.0
141.06973	3.5
142.07779	3.2
143.08569	6.7
145.06477	3.5
145.10139	2.2
147.08025	2.4
151.03880	5.2
153.01823	2.1
155.08502	3.9
156.09334	9.6
157.06502	2.6
157.10150	7.7
158.07239	1.3
159.08052	3.1
162.23505	1.0
167.08559	2.3
169.10132	4.5
171.08078	2.8
171.11667	2.2
173.09775	1.2
177.30939	1.2
179.03389	4.0
179.08377	1.3
181.10155	3.0
183.11699	4.5
185.09650	2.2
185.13226	2.6
186.14014	1.2
187.14865	1.1
193.04970	4.0
193.10103	1.2
195.11644	3.1
197.13264	2.6
198.10426	1.3
198.14108	1.7
207.02905	13.6
209.13229	3.5
213.12761	3.0
221.04396	1.5
223.14827	2.0
224.15451	1.7
235.07404	1.4
255.06429	1.3
261.09253	1.4
267.10239	1.3
269.08258	1.4
272.74524	1.6
277.08493	1.3
279.10074	1.7
281.08051	2.3
293.07993	1.4
295.09586	3.3
297.07574	3.4
304.98294	1.3
307.09570	1.5
309.11182	3.0
321.11087	1.3
323.09146	3.5
332.10318	1.5
337.10651	8.8
337.14371	1.7
339.12253	47.4
349.10681	4.6
351.12225	5.0
351.15973	1.4
353.13785	4.3
361.10703	1.6
363.12247	2.2
365.13858	10.6
379.15408	28.3
391.15280	6.5
393.16956	10.3
403.15469	3.0
405.17014	13.5
407.18518	11.2
421.20331	5.3
431.18542	3.4
435.21710	4.3
441.27838	1.2
447.21625	11.7
449.23447	4.0
461.23108	5.1
473.23193	11.2
491.24268	100.0
492.24231	1.9
509.32404	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	509.2745
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
51.02379	1.3
53.00307	6.0
53.03945	7.6
55.01864	11.3
55.05244	2.2
55.05510	37.7
57.03434	12.9
57.07069	1.8
59.04989	4.5
65.03928	4.6
67.05505	47.5
69.03437	7.5
69.07068	14.7
71.01345	4.2
71.04986	7.3
73.02931	2.5
79.05492	41.9
79.31656	1.1
81.03419	65.6
81.07053	58.5
83.04978	18.3
83.08620	32.7
85.02904	35.2
85.06549	4.5
91.05477	59.4
92.05730	1.2
93.07041	41.7
95.04964	38.6
95.08611	19.8
97.02878	10.3
97.06524	12.3
97.10182	8.8
99.00816	23.4
99.04472	3.2
99.08089	2.7
103.05460	3.5
105.07031	51.2
107.04956	16.4
107.08591	21.6
109.02859	13.1
109.06499	8.8
109.10158	16.0
111.04410	7.9
111.08070	17.1
113.06013	2.5
115.03918	3.4
115.05473	3.2
117.05565	1.4
117.07005	6.9
119.04928	2.7
119.08585	33.2
121.06503	12.1
121.10143	14.3
123.04434	2.5
123.08073	5.0
123.11713	4.8
125.06000	2.7
125.09658	5.8
127.03922	4.3
128.06219	4.3
129.07014	9.9
131.08556	14.9
133.06511	6.0
133.10123	48.5
134.93324	1.4
135.08058	4.2
135.11671	7.7
137.05995	4.9
137.09625	5.7
139.07523	3.7
141.07011	2.2
142.07806	3.4
143.08565	7.1
145.06491	2.0
145.10106	8.1
147.04465	2.0
147.08049	5.1
147.11694	12.5
149.05981	1.3
149.09593	7.6
151.07597	1.5
151.11182	16.0
153.06981	2.2
157.10114	14.4
158.20978	1.4
161.06027	2.6
161.09612	25.9
163.11185	7.9
165.05530	1.6
165.09192	2.1
165.12767	3.8
171.08084	4.1
175.11188	15.5
177.09225	1.3
179.10683	14.7
181.12257	2.1
189.09140	14.0
189.11057	2.6
191.10745	3.8
193.12245	58.4
197.11798	5.1
201.14943	1.4
207.10165	6.0
209.11664	9.1
211.13287	74.8
219.13824	3.1
225.11209	19.7
227.12743	8.4
243.12300	3.8
265.14453	2.8
267.15933	5.9
281.13889	5.2
283.15442	4.4
299.14938	4.7
371.21884	1.6
373.16412	1.6
491.26367	6.4
509.27524	100.0
510.28116	2.3
518.53320	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	509.2745
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
52.32714	1.8
53.03934	7.2
55.01868	19.2
55.05510	47.7
56.96553	2.6
57.03435	12.4
59.04979	7.5
62.90036	1.7
65.03920	2.2
66.10394	1.7
67.05503	100.0
68.43935	1.8
69.03427	5.1
69.07062	18.7
69.36797	17.1
70.06552	1.8
71.01338	5.2
71.04987	9.7
78.44884	2.2
79.05490	41.8
81.03416	30.8
81.06608	2.9
81.07053	47.2
83.01321	6.3
83.04978	22.3
83.08620	22.9
85.02898	11.1
85.06527	5.3
91.05473	41.4
93.07041	50.7
95.04958	29.2
95.08592	26.0
97.02849	4.6
97.06525	10.4
97.10149	16.3
99.04455	3.7
103.05472	3.2
104.05307	1.8
105.07037	26.4
107.04974	17.9
107.08577	25.9
107.09671	1.9
109.02866	2.3
109.06517	13.2
109.10153	56.9
111.04447	10.7
111.08063	7.0
115.05328	2.1
117.07008	9.7
119.04935	2.3
119.08568	22.8
121.06487	10.7
121.10127	21.9
123.04456	2.1
123.08049	9.7
123.11651	4.1
125.06002	3.0
125.09617	15.2
127.03860	2.4
129.06981	5.8
131.04927	2.0
131.08546	11.6
133.06480	2.2
133.10152	14.3
135.08052	8.6
135.11688	14.2
137.05983	2.3
137.09612	5.6
139.11232	2.6
143.08577	4.2
145.06442	4.3
145.10118	20.0
147.08023	5.3
147.11659	6.5
149.09624	6.6
149.13277	2.0
151.11147	5.6
153.12729	5.5
155.08478	4.7
155.10617	2.2
157.10126	5.7
159.11652	3.5
161.09584	4.2
163.09940	2.0
163.11185	31.2
167.10683	2.4
171.51439	2.2
173.09587	5.6
173.11786	11.5
175.11147	4.0
181.12210	6.7
189.09232	2.2
189.11148	5.2
191.10651	5.8
193.12271	8.7
199.13266	2.6
205.12294	2.5
209.11676	16.6
211.13257	5.7
219.13750	7.3
223.13214	2.8
227.12698	13.9
231.08861	2.5
233.15291	3.6
236.09477	1.9
265.14346	2.7
283.15399	10.5
291.19531	2.4
293.17267	3.4
303.15918	2.2
323.33914	2.0
367.22534	7.8
385.23700	8.4
403.24585	2.8
437.25323	18.8
459.27377	8.9
477.28329	4.1
491.26074	3.0
509.27295	70.2
510.27350	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	509.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
55.05507	15.2
57.03427	7.0
57.07063	4.2
63.47053	1.9
67.05506	43.7
69.07068	17.4
71.49889	2.2
71.50254	2.1
79.05499	13.7
81.06602	3.2
81.07057	40.9
83.08623	11.8
84.92128	2.1
85.06542	2.6
85.10181	2.0
91.05476	8.0
93.07036	14.3
95.04942	2.9
95.08594	29.8
95.36901	2.3
97.06510	4.5
97.10149	4.5
98.98461	38.9
104.10740	6.9
105.07020	7.2
107.08588	8.9
109.10142	10.7
119.08589	6.4
121.10147	7.6
123.11718	3.2
133.10097	4.3
135.11707	4.2
147.11697	4.8
155.01041	16.9
163.11200	2.3
163.14799	2.0
173.02101	3.3
196.47183	2.3
245.22716	4.2
247.05905	2.2
261.53485	2.2
263.23602	3.7
272.74011	2.2
319.26459	2.9
337.27356	100.0
425.48782	2.3
473.26425	8.4
509.31354	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	509.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86025	1.0
54.68798	1.3
55.01865	4.6
55.05510	15.5
57.03429	2.4
57.06804	2.4
57.07076	44.1
57.38023	1.1
65.03939	2.7
67.05503	55.7
67.97506	1.2
69.03431	3.6
69.07063	17.5
71.04998	6.3
71.08631	26.5
71.24084	2.8
79.05494	15.9
81.03397	1.6
81.07052	56.5
83.04980	9.5
83.08616	15.5
85.02905	1.5
85.06537	5.2
85.10191	16.8
91.05483	29.7
93.07047	15.1
95.04977	5.8
95.08603	30.7
97.02917	2.1
97.06520	3.2
97.10161	5.4
99.04456	4.5
99.08089	1.9
105.07034	33.9
107.08592	30.6
109.02892	1.3
109.06517	5.5
109.10155	81.8
111.04443	2.9
111.08076	1.9
113.06017	3.6
117.07044	3.1
119.08588	2.6
120.08617	1.2
121.10159	1.8
123.07962	1.2
123.11715	16.1
125.09616	2.5
127.07579	4.4
131.08527	2.7
133.10124	78.4
135.11670	2.5
137.13255	2.2
143.08542	1.5
151.11180	48.9
154.21284	1.3
161.09636	2.5
163.11183	2.6
169.12236	16.8
179.10637	2.0
191.10713	1.4
197.11726	1.5
209.11739	2.7
215.12807	5.5
219.53876	1.4
227.12769	5.9
232.61876	1.5
239.23692	5.0
253.14355	57.4
283.15543	1.7
347.83389	1.3
509.16879	3.4
509.38345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.0
55.05502	3.9
55.09571	1.4
57.03416	2.0
57.07072	2.8
58.99308	1.8
58.99591	26.8
63.54246	1.3
69.03430	57.4
69.07059	3.9
71.04997	1.8
71.48794	2.2
79.05494	4.5
81.03392	3.4
81.07056	23.3
83.04958	1.8
84.08156	2.0
85.02914	14.7
86.09692	2.1
86.99057	49.8
87.04469	20.7
91.05481	2.7
93.07053	12.5
95.04970	2.9
95.08609	6.3
97.02914	6.1
97.06548	2.2
99.02661	5.1
105.00093	100.0
105.07021	3.9
107.08590	5.5
109.02917	1.6
109.06570	1.5
111.11728	2.3
117.03710	10.4
119.08563	1.7
120.08105	2.2
121.10147	26.3
123.08072	2.0
123.11711	96.8
125.09657	1.8
127.03929	2.3
131.08589	2.1
135.08086	3.5
139.11205	2.1
145.03166	15.2
145.04938	1.5
149.02695	11.9
149.09624	12.1
151.11182	20.8
161.83998	1.4
163.04247	30.7
167.10678	44.5
173.02734	1.6
173.13272	1.8
191.03735	71.8
191.14302	26.4
209.04814	2.1
209.15381	16.2
209.72415	1.5
241.12639	1.9
257.08408	3.9
285.15271	1.5
313.14682	28.9
331.15756	26.8
360.72659	1.7
451.37918	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	510.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
54.33012	1.1
55.05514	2.0
56.96555	1.3
58.99307	1.9
58.99583	28.8
59.04996	1.2
67.05491	1.1
69.03430	57.0
69.07088	1.3
69.62785	7.4
70.06590	4.0
72.08147	1.6
73.01141	2.3
79.05499	2.3
81.03422	2.4
81.07042	2.8
84.08125	2.5
85.01151	1.5
85.02890	3.3
86.09696	2.8
86.99052	45.5
87.04463	18.1
87.13103	1.1
87.19585	1.0
89.04243	2.3
91.05463	1.9
93.07029	1.8
95.04949	1.5
95.08553	1.4
97.06521	2.2
99.02687	5.8
103.02156	1.9
105.00089	100.0
110.07153	1.0
117.03722	15.6
119.01616	1.3
120.08089	1.3
121.10131	2.4
123.01060	1.5
123.08125	1.0
123.11702	20.1
135.08064	2.3
137.05931	1.3
140.08147	1.2
145.03183	10.2
149.02673	13.1
149.09618	5.3
151.11140	1.8
163.04242	43.7
173.02585	2.1
173.13214	2.4
177.00717	1.3
179.42502	1.0
191.03729	72.4
191.14345	4.2
224.60019	1.1
257.08417	12.4
313.14679	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	510.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49274	0.7
55.05504	2.7
57.03427	1.3
57.07067	2.8
67.05502	2.7
69.03435	3.9
69.07060	1.6
70.06586	2.3
72.08164	1.1
73.02915	6.3
74.32447	0.8
79.05493	2.3
81.03411	1.2
81.07051	3.3
83.04977	3.3
84.08128	1.1
85.02911	3.7
85.06533	2.6
86.09693	1.2
91.05474	1.7
93.07046	4.0
95.04953	1.5
95.08608	4.8
96.08122	2.1
97.02894	5.3
97.06552	3.6
98.20724	1.5
105.07050	2.7
106.07388	0.7
107.04958	1.0
107.08598	5.9
109.06532	1.4
109.10176	2.3
109.41689	0.7
111.04443	31.6
111.08092	1.5
115.03900	2.1
117.06993	1.1
119.08609	1.3
120.08118	1.5
121.06500	1.7
121.10138	1.3
123.21635	0.8
124.07597	14.2
125.05982	10.6
127.03914	1.8
127.07550	1.5
133.04953	1.3
133.10080	0.9
135.04463	1.1
135.08051	4.5
135.11705	7.1
137.05977	2.0
137.13170	1.1
139.07538	1.6
145.10138	6.6
146.36362	0.7
147.26207	0.8
149.06010	0.7
153.12750	2.8
161.06001	1.0
163.11182	11.9
179.03397	0.7
181.12238	100.0
182.12660	0.9
199.13298	42.7
213.30592	0.7
225.11343	0.9
228.13782	0.8
239.07129	0.9
240.13965	0.8
258.14713	1.9
312.19754	3.9
330.16827	1.5
330.20627	14.8
474.35748	0.8
478.17102	0.8
496.04364	0.9
510.18576	0.8
528.53394	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	510.3546
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05507	0.8
56.05026	1.3
57.03418	0.6
57.07076	4.8
58.06590	1.8
59.07382	0.5
60.08165	16.6
60.83597	0.5
66.84724	0.4
67.05485	2.0
69.07053	0.9
69.45045	0.4
69.99133	2.0
70.06559	0.4
71.07372	7.3
71.08634	3.6
79.05463	0.5
81.07046	1.7
83.08614	0.9
85.10164	1.5
85.32944	0.5
86.09705	51.4
92.68706	0.4
93.78854	0.4
95.08599	2.1
97.10174	0.8
98.98466	3.9
104.10741	100.0
105.11067	0.6
105.32207	0.4
107.08636	0.4
109.10153	1.1
123.11665	0.8
125.00000	25.3
143.01079	1.1
156.13844	1.2
163.01576	0.4
173.77602	0.5
184.07338	94.9
221.75543	0.4
239.23756	1.1
258.10989	0.9
269.07333	0.4
292.23178	0.4
313.27359	4.3
323.54013	0.4
327.28705	2.1
331.28442	0.5
339.29086	0.5
402.97449	0.5
492.34464	7.8
510.35541	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	510.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.05509	14.3
57.03427	5.8
57.07076	100.0
67.05507	31.9
69.03433	13.4
69.07069	21.4
69.31903	3.5
69.32302	14.2
71.04989	2.8
71.08630	75.2
72.36844	1.7
79.05492	2.1
81.03426	13.0
81.06602	3.4
81.07057	46.1
83.04987	1.8
83.08620	31.4
85.02911	26.3
85.06525	2.5
85.10186	40.5
86.09692	3.1
91.05473	2.9
93.07107	2.3
95.08613	64.6
97.02890	19.9
97.10176	16.0
99.04430	4.4
104.10676	2.0
105.07008	1.7
108.04469	2.3
109.02864	9.6
109.10156	28.6
111.11722	5.1
113.09648	3.3
119.95779	1.7
123.11727	13.6
125.13254	4.5
126.51951	1.8
127.03918	27.7
137.13249	3.7
145.04973	19.8
151.14832	2.2
156.13823	5.4
170.15417	17.3
184.16975	8.0
186.49181	1.8
216.00566	1.8
221.22672	3.3
228.13091	1.8
230.25250	2.5
239.23692	83.1
257.24786	7.4
298.27396	2.8
313.23785	2.4
313.27344	35.2
331.28317	2.8
341.27161	4.3
383.27921	43.9
401.28979	96.5
419.17883	2.1
465.05917	2.3
510.50098	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	510.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05091	0.4
52.68583	0.4
55.05495	1.3
57.07080	3.3
58.06600	3.0
59.62284	0.5
60.25315	0.4
67.05482	1.3
69.07063	1.1
69.61711	1.1
69.62126	2.1
71.08630	13.1
72.64844	0.4
81.07043	1.8
83.08611	0.6
84.08147	1.0
86.09708	22.3
93.07035	0.8
95.08594	1.7
98.98499	0.8
99.08096	17.4
107.08576	0.6
109.10113	0.4
111.47917	0.5
128.10718	2.2
139.51930	0.5
155.01031	0.8
156.13843	88.0
163.56403	0.5
170.15404	1.4
180.03270	0.5
184.16992	1.3
199.13249	0.5
270.28073	0.6
324.32605	12.3
339.28918	4.1
355.36890	5.7
423.56558	0.5
460.94058	0.5
478.15250	0.6
479.01724	0.5
510.50009	100.0
511.50391	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	512.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
53.65424	1.0
55.01872	7.1
57.03432	14.1
59.04972	1.2
61.02922	12.0
65.03915	1.1
67.05489	1.7
69.03429	25.0
69.07050	1.4
70.11890	4.2
71.01343	2.8
71.04988	1.2
73.02915	62.5
74.04601	1.1
79.05485	2.0
81.03431	5.4
81.07044	1.7
84.08112	1.1
85.02906	54.8
87.04463	3.0
91.03938	2.0
91.05426	1.5
93.07044	1.3
95.04946	1.6
95.08607	1.1
97.02890	44.6
97.06516	2.6
99.04444	2.7
103.03946	2.6
103.05456	1.3
104.13487	1.0
105.07065	1.3
107.08595	1.5
109.02860	3.9
111.04413	1.3
115.03933	22.8
115.05478	3.0
116.06171	1.4
119.08553	1.0
127.03927	17.7
128.06218	2.8
129.06998	2.3
130.07787	1.5
132.05728	1.3
133.04965	27.5
137.05933	1.1
141.06946	1.6
145.04955	23.4
146.07309	1.2
150.07611	3.7
153.06953	3.7
154.07806	3.2
155.08551	6.7
157.06436	1.2
163.03925	1.1
163.06024	9.9
165.05656	1.2
165.06982	7.3
168.05672	6.9
171.08018	3.9
181.06442	2.0
182.07281	2.5
183.08052	100.0
185.09634	3.7
193.04883	1.2
194.07230	1.2
195.08043	2.8
197.09607	17.0
201.09123	5.4
207.07979	2.2
209.09663	3.4
211.07626	2.5
213.09204	1.3
217.07089	1.8
219.08035	1.1
221.09601	7.2
223.05992	3.7
223.07861	1.3
223.11079	1.8
225.09113	7.6
233.09735	1.1
235.11073	2.2
237.09116	6.4
239.10652	1.7
241.06812	5.0
249.09106	4.3
251.10612	2.3
259.07986	5.2
261.09171	1.6
263.10641	1.9
267.10168	4.8
279.10141	5.3
291.10110	1.8
295.09985	1.2
297.11209	7.5
309.11288	6.2
327.12204	3.7
331.91061	1.2
512.27576	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	512.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
55.47113	0.2
57.07063	1.0
58.06602	3.5
67.05495	0.3
67.18115	0.2
69.07063	0.6
69.57789	1.7
70.06584	1.0
71.08630	12.3
71.60256	0.2
72.08157	4.1
73.06550	0.2
73.24339	0.2
79.05477	0.3
81.07047	0.5
83.08613	0.5
84.08168	0.3
85.10170	0.3
86.09705	1.8
88.07626	0.6
89.06026	0.3
93.07019	0.3
95.08605	0.5
98.06036	0.6
98.20744	0.3
99.08093	19.9
102.09171	0.3
109.02787	0.3
109.10184	0.3
113.09614	0.3
130.08611	0.3
141.13889	0.2
146.11722	0.3
156.13837	100.0
157.14249	0.3
170.15439	0.8
184.16980	0.8
187.18060	0.5
214.49475	0.2
256.26379	1.6
283.26248	1.4
308.29465	0.7
326.30524	4.5
357.34824	2.9
397.37967	0.4
512.47852	92.0
513.48132	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	513.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01880	1.6
55.05501	2.2
55.99461	0.7
57.03437	0.8
65.03934	2.1
67.05508	6.5
69.03436	7.2
69.07091	0.8
69.19326	2.3
69.19741	5.2
70.06615	3.7
71.01330	1.3
72.08163	6.9
73.02917	1.9
79.05496	9.6
81.03441	4.3
81.07034	1.9
83.01312	0.9
83.04984	6.1
84.08141	4.7
85.02911	7.5
86.03168	0.6
86.09717	8.0
91.05500	3.7
93.03407	1.7
93.07056	3.5
95.01338	0.8
95.04975	32.7
96.56716	0.8
97.02888	7.8
97.06532	1.0
98.21593	1.4
99.04458	1.3
102.05512	1.1
103.05473	2.7
103.80498	0.7
105.03417	1.0
105.04509	1.0
105.07032	1.1
107.04957	27.2
108.05320	0.6
109.02889	13.6
109.06536	3.9
111.04456	8.1
120.23001	0.7
121.02856	1.8
121.06506	6.1
123.00806	1.8
123.04455	5.3
125.02361	10.5
125.05994	1.6
127.03907	5.5
129.04259	0.7
129.10220	3.0
131.04938	2.5
132.10176	1.4
135.04417	100.0
136.04747	1.1
137.05899	1.0
139.03911	20.5
141.01819	0.8
145.04901	1.7
149.05974	11.4
150.16727	0.7
151.02766	1.4
151.03905	17.8
153.05472	17.6
153.06631	1.3
155.08157	1.7
157.04965	9.6
159.04433	1.6
167.07129	1.3
173.98982	0.8
177.05467	22.4
185.12889	1.0
195.06535	18.0
213.07599	1.2
251.09222	1.3
253.22983	0.7
264.07913	0.7
273.07617	0.7
281.06635	1.2
295.08118	1.1
297.09671	2.4
315.10956	1.0
321.09879	1.9
333.09628	1.5
333.17590	0.9
339.10785	4.3
351.10571	4.0
484.84869	0.9
495.16531	3.5
527.91833	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	513.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61332	0.5
55.01865	0.9
55.05499	4.8
57.03438	3.7
61.02936	2.6
69.03429	3.3
69.60677	3.2
70.06559	0.6
71.01321	0.4
72.08179	0.5
73.02918	17.3
73.06557	2.1
81.03428	0.9
85.02912	7.7
87.04430	0.7
91.04021	0.5
95.04916	0.5
97.02893	4.1
97.64668	0.5
98.21536	0.6
99.04472	0.6
104.05013	0.7
115.03938	2.6
125.07107	0.6
127.03912	1.6
129.04474	3.4
133.04939	1.1
145.04950	1.0
147.05527	59.2
159.04375	0.8
159.05559	7.4
177.06593	2.9
201.10222	28.0
219.11284	100.0
220.11763	0.7
351.15689	0.7
368.65018	0.5
381.16556	19.8
462.31894	0.6
513.20813	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
55.01866	5.1
55.05515	21.1
55.22808	2.7
56.96560	3.1
57.03431	9.2
61.02925	28.4
63.80447	2.5
65.83217	2.6
67.05507	42.4
69.03424	12.7
69.07066	14.0
69.47089	21.3
71.04981	5.8
71.08631	18.6
73.02904	11.7
77.03934	3.7
79.05495	43.5
80.93108	2.6
81.03407	12.2
81.03838	2.6
81.07057	55.9
83.04972	7.2
83.08608	7.7
85.02901	28.9
91.03964	15.6
91.05490	31.9
93.07043	61.3
95.04953	10.1
95.08606	34.6
97.02907	21.3
97.06536	13.3
97.10169	3.4
99.04481	4.7
99.08098	20.5
101.02380	6.1
105.07024	27.5
107.04948	7.5
107.08607	35.0
108.94819	2.8
109.02895	5.3
109.10153	18.3
117.07018	10.6
119.08588	27.4
121.10138	36.1
123.08102	3.7
127.03912	10.6
129.06990	6.7
131.08537	14.3
133.10132	26.9
135.11678	36.0
137.09596	4.3
143.08530	6.2
145.10109	14.5
147.11681	19.4
149.13225	15.7
151.11221	7.1
155.08617	3.5
157.10126	8.5
159.08054	3.2
159.11679	12.1
161.13268	19.1
163.11162	4.4
163.14883	5.0
171.11682	4.3
173.13210	7.1
175.14903	5.8
177.12762	3.7
179.14325	73.4
183.06586	6.7
185.13229	4.6
190.74612	3.0
199.14767	5.6
231.17281	3.1
231.21245	3.6
235.16898	3.2
241.19473	16.0
259.20609	31.0
261.88000	2.7
272.72202	2.8
277.21646	58.1
330.41306	2.8
333.24234	3.8
349.24152	3.1
351.25293	100.0
381.35834	2.7
495.29153	6.1
513.35480	8.3
516.71283	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	513.3063
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03953	3.8
55.01868	3.0
55.05514	12.5
55.59718	2.0
57.03431	9.4
57.07061	2.7
61.02935	13.1
67.05502	29.9
68.05861	2.8
69.03432	9.0
69.07052	11.6
70.08395	9.8
71.01326	3.0
71.04994	3.5
73.02894	3.1
79.05495	29.6
81.03421	10.3
81.07055	36.9
83.04991	6.0
83.08615	5.4
85.02903	12.3
91.03986	5.0
91.05478	29.1
93.07046	36.7
95.04971	8.0
95.08606	19.8
97.02883	8.3
97.06525	11.6
97.10154	3.7
98.66193	2.1
105.07016	26.7
107.04956	2.8
107.08589	26.7
109.06532	3.0
109.10154	13.3
111.08077	3.7
115.03893	2.1
117.07027	8.5
119.08583	26.8
121.06458	2.1
121.10130	23.0
123.11679	4.9
124.69608	2.0
127.03883	3.1
129.07027	3.8
131.08571	15.4
133.10130	24.3
135.08032	2.9
135.11705	20.7
137.09633	3.2
143.08537	5.5
145.10101	14.0
147.11674	21.7
149.09647	4.3
149.13255	13.1
155.08545	2.5
157.10100	7.6
159.11714	13.7
159.12907	2.1
161.13261	18.0
163.14832	4.3
170.10764	2.0
171.11703	7.7
173.13254	7.9
175.14815	10.6
177.12767	2.1
181.10172	2.4
185.13283	7.6
193.10207	2.2
213.16386	4.3
231.21059	3.9
241.19498	20.6
259.20563	44.8
275.20053	3.9
277.21570	8.1
287.35809	2.3
301.21317	2.3
333.24255	7.9
349.23749	5.2
351.25293	100.0
352.25772	2.9
401.27380	2.2
417.26367	4.0
423.23840	2.9
441.26028	5.3
456.99588	2.4
477.28549	4.5
495.28806	3.2
513.17621	4.0
513.25031	2.7
513.29846	9.3
536.56421	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	514.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01519	2.1
55.05514	3.4
57.02747	1.7
57.03441	2.1
66.92744	2.1
67.05492	4.7
69.07047	2.3
69.30714	13.8
69.31141	7.1
70.06585	3.1
71.05014	2.3
79.05491	5.8
81.03419	82.8
81.07058	6.5
83.04955	5.5
83.08620	21.4
85.02886	3.5
86.28510	2.0
91.05484	11.4
93.07034	5.4
95.04971	22.6
95.08601	2.1
97.02876	5.4
97.99341	2.0
99.17188	2.8
105.07030	6.5
107.04951	6.3
107.08554	3.2
111.08062	11.7
115.72360	2.3
118.75694	2.1
119.08578	7.1
121.10138	5.7
123.08107	2.1
129.06989	4.2
131.08566	6.8
133.10162	2.7
147.07976	3.9
147.11710	5.1
149.09648	3.3
157.10161	12.9
175.11133	13.6
193.10460	4.3
193.12241	75.0
211.13290	5.7
217.66356	2.1
267.15924	40.5
285.16971	100.0
286.17157	2.6
290.12936	4.2
309.16870	8.6
312.38083	2.2
319.15207	3.1
334.11929	3.9
352.12915	5.0
363.18134	2.2
364.35800	2.2
375.18127	3.0
393.18835	3.0
515.19073	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	514.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	9.3
57.03436	4.9
67.05506	10.2
68.49870	4.0
69.03425	4.7
69.45252	32.1
70.06583	9.8
72.08168	4.2
73.02935	5.1
79.05489	12.0
81.03418	85.7
81.07069	9.7
83.08614	23.8
84.08125	5.1
86.09712	5.3
91.05490	11.3
93.07069	5.9
95.04969	22.2
95.08601	9.8
97.02858	7.2
105.07041	7.8
107.04922	5.5
111.08076	9.9
119.08583	11.7
121.10119	5.4
129.06987	7.1
131.08562	6.3
133.10179	8.1
140.54622	4.3
147.08075	6.3
147.11749	5.8
149.09668	6.3
154.44203	4.6
157.10165	11.2
158.18401	4.2
164.10739	13.3
165.12788	6.2
175.11235	14.4
192.10228	30.2
193.12210	65.5
211.13359	5.4
221.22462	4.1
263.10309	8.8
267.15948	63.2
285.16980	100.0
309.16782	8.5
323.12329	28.1
377.42728	4.2
391.14966	4.7
429.21231	9.7
454.08450	4.5
514.21460	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	514.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78490	2.8
55.01859	4.7
55.05499	8.4
66.56192	2.8
66.60052	2.9
67.05495	17.9
68.63192	2.9
69.07068	21.8
71.50275	4.6
72.98493	2.8
73.06632	2.7
79.05483	13.6
81.03398	10.1
81.07050	17.8
83.04989	7.4
83.08610	6.8
88.91066	3.0
91.05484	8.7
93.07046	18.7
95.04965	8.0
95.08595	15.8
97.06528	5.0
97.10162	6.8
105.07008	7.1
106.90054	3.3
107.04953	37.1
107.08581	8.0
109.10175	7.0
110.66323	3.8
119.08551	12.0
121.10115	5.6
123.08085	4.1
125.09604	4.9
131.08562	8.3
133.06543	4.0
133.10109	8.0
135.08032	10.0
135.66138	2.7
149.06006	3.4
149.09645	25.5
161.01263	3.7
161.09622	4.6
173.11873	3.3
195.13907	5.2
200.20082	4.2
273.18423	12.5
284.74231	3.2
291.19534	100.0
309.20731	8.2
310.83212	3.1
341.10168	3.7
423.09586	3.3
514.28363	4.8
514.36029	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	515.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96314	3.8
56.96564	39.3
69.03415	4.8
70.06544	2.0
70.41853	2.2
70.42196	7.1
84.96013	12.0
85.02896	9.5
97.02850	3.7
98.97578	68.1
100.99155	15.3
110.97552	21.7
112.99132	2.8
115.97810	2.0
116.97845	3.4
116.98615	40.9
118.86050	2.0
119.00130	7.3
119.01860	3.2
127.03868	3.2
128.98604	34.9
128.99548	1.8
131.00153	7.5
131.01939	2.8
134.99651	16.1
140.98531	7.7
141.71666	1.9
143.00172	12.8
143.01837	2.7
144.98000	6.3
145.01703	2.7
145.04950	2.3
146.74696	1.9
146.99629	30.9
149.01221	14.9
152.98502	2.4
158.99640	27.9
161.01215	13.3
161.02887	2.9
162.99110	10.5
165.00696	10.6
167.02272	5.4
170.99634	25.3
172.97574	11.4
173.01224	5.4
173.02919	6.0
177.00700	28.6
179.02226	5.7
182.99615	12.8
183.01619	2.9
185.02936	3.2
188.99069	3.5
189.00702	48.0
190.55084	2.5
190.98615	38.6
191.02190	5.4
194.99657	2.4
195.01692	4.3
197.03149	3.1
201.00702	56.5
202.55170	3.2
203.02100	3.6
207.01721	7.8
208.99693	66.1
213.00687	3.5
214.98648	15.0
217.03830	3.1
219.01749	69.6
227.00673	6.8
231.01668	7.2
232.97432	3.6
232.99651	48.0
233.03200	4.1
237.02788	64.5
243.01750	15.4
244.99481	2.8
245.05176	9.7
247.04762	4.7
249.02737	2.8
251.00742	26.7
255.03903	36.1
261.02792	65.2
262.56705	2.4
263.00742	12.3
273.02719	5.8
274.02383	2.4
275.06067	2.6
279.03879	40.2
281.01831	2.7
281.07211	2.4
291.03790	11.2
293.01624	12.6
293.05051	4.2
302.05389	3.1
309.04742	3.5
311.06390	6.5
313.80933	2.3
317.01886	22.6
321.01678	2.7
321.04910	31.7
323.09955	5.9
333.04834	5.7
334.99530	2.7
335.02881	38.1
341.07535	2.7
343.59787	4.1
351.05884	11.4
353.03833	39.0
353.07620	2.2
381.07059	25.7
399.08002	35.5
422.09534	2.3
455.10843	14.2
471.10345	2.8
479.07480	4.9
497.07657	15.0
515.08942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
59.47575	0.2
61.02909	0.3
67.05501	0.6
69.57783	1.1
69.58186	0.6
69.93871	0.2
74.26621	0.2
76.98597	0.2
81.03411	0.4
81.07053	0.5
83.08609	0.3
86.95073	0.2
91.05491	0.4
95.08591	0.5
109.10158	0.3
121.43636	0.2
134.79509	0.3
182.36470	0.2
185.04202	0.3
256.57669	0.3
271.17828	0.2
515.31921	100.0
516.32062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.1
55.05516	18.7
57.03422	16.1
61.02907	6.3
63.37422	3.6
67.05505	85.2
69.03421	14.2
69.07047	23.1
70.56458	8.0
70.56789	4.9
71.01371	3.6
71.04987	9.1
73.02905	5.0
77.55708	4.1
78.86252	3.5
79.05495	54.1
81.03413	21.5
81.07054	100.0
81.07536	5.0
83.04971	6.3
83.08619	11.8
85.02892	14.1
91.03941	6.9
91.05473	43.1
93.07034	67.3
95.04957	11.3
95.08606	75.7
97.02893	13.5
97.06518	12.8
97.10151	4.1
99.08109	5.6
105.07031	35.1
107.08584	33.2
107.17412	4.2
109.06510	9.8
109.10133	33.7
117.06995	18.2
119.08562	35.4
121.06514	5.2
121.10126	30.6
123.08076	5.0
123.11702	13.1
127.03902	6.7
129.06985	9.5
131.08568	31.1
133.10112	17.4
135.08073	6.6
135.11668	22.4
137.13231	6.4
143.08517	8.0
145.10136	19.0
147.11656	18.0
149.01196	3.9
149.09625	6.4
149.13263	14.1
151.11185	5.3
156.03592	9.6
156.21573	4.8
157.10121	7.4
159.11681	20.8
161.13240	11.4
163.14838	11.2
165.12723	5.8
167.02344	4.1
173.13242	16.1
175.11279	5.5
177.16377	6.7
185.13261	5.1
187.14839	8.4
195.26700	4.0
243.21098	17.9
261.22153	36.7
279.23166	5.8
285.22073	6.0
301.21545	5.5
303.23007	6.6
317.24472	4.5
335.25772	20.6
345.24268	11.9
353.26907	20.3
358.16370	11.4
358.66644	11.6
359.16711	7.0
359.66721	7.8
360.16202	5.8
369.24329	13.6
405.26096	5.5
419.28036	9.0
461.28784	7.4
497.30923	9.8
515.26337	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.05503	20.6
57.03419	8.7
57.07067	5.1
58.81681	2.5
61.02916	7.8
67.05505	91.1
69.03419	4.4
69.07075	21.8
69.17707	7.2
69.18127	22.1
71.04977	4.9
71.43439	2.4
73.02900	4.4
77.68515	2.5
79.05495	58.7
81.03407	9.4
81.07053	100.0
83.04967	6.2
83.08612	12.6
83.18594	2.7
84.97985	2.5
85.02900	8.4
85.06522	4.7
91.03944	3.6
91.05479	34.2
93.07040	68.8
94.32236	2.6
95.04959	6.6
95.07990	5.5
95.08603	79.5
97.02912	6.1
97.06510	3.1
99.08073	6.0
103.03917	4.0
105.07029	28.9
107.05007	2.8
107.08589	40.7
109.06525	7.2
109.10145	39.0
115.33678	2.7
117.07015	15.7
119.08585	24.1
121.10138	39.3
123.08067	3.8
123.11714	19.4
125.09581	3.7
127.03911	2.8
129.07039	2.8
131.08577	22.3
133.10136	18.9
135.11696	33.2
137.13179	5.4
145.10106	22.5
147.11696	15.7
149.09630	3.5
149.13263	22.2
157.10165	4.2
159.11681	12.0
161.09534	3.1
161.13229	14.0
163.11177	4.3
163.14818	13.2
171.11665	4.8
173.13217	16.4
175.14796	4.7
185.13255	3.0
187.14839	9.9
187.67659	3.0
209.06349	2.6
218.47305	3.2
243.21123	27.4
261.22137	69.2
277.13898	5.1
277.63974	2.9
303.23227	5.8
335.25803	26.6
345.24295	4.8
353.26697	15.0
369.24338	4.5
387.25409	3.9
419.28012	3.7
433.06757	3.3
477.17883	3.1
479.29709	3.7
497.31158	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	516.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04020	0.4
53.03931	0.8
55.01872	0.9
57.03429	1.3
59.04985	0.5
61.02913	1.7
65.03935	0.5
69.03429	7.2
70.06595	29.7
70.69622	0.4
71.04989	4.1
71.49538	0.6
72.08121	0.5
73.02892	1.1
73.78947	0.5
73.79456	0.4
79.05495	0.9
81.03425	3.7
84.08129	0.5
85.02906	11.6
86.06072	11.9
86.09700	0.7
87.04446	1.6
88.07627	1.9
91.03966	0.6
91.05459	0.9
93.07040	0.9
97.02890	5.1
98.06063	0.8
99.04469	0.6
100.07602	1.0
101.06013	0.8
103.05461	1.5
105.07022	0.8
107.04975	2.1
109.02895	2.5
111.04452	0.5
119.04943	1.0
120.08153	0.5
121.06497	1.2
123.38875	0.4
126.05528	0.6
127.03858	2.4
128.07042	0.6
129.03365	2.4
130.04169	0.4
131.04915	3.7
133.06483	0.7
134.06075	0.5
135.04407	3.9
138.05502	0.7
138.09116	0.7
139.03908	2.0
145.02856	1.9
145.04958	2.0
145.06523	0.5
146.09657	0.5
147.04420	1.3
149.05945	2.0
150.09099	0.6
159.04422	8.0
161.05998	2.9
162.05508	0.4
163.03899	1.3
163.07530	0.5
164.07109	1.2
164.10728	0.5
166.08667	0.9
174.09082	2.1
175.03954	2.2
176.07018	0.5
177.05463	8.4
178.08696	0.5
185.64746	0.4
187.03882	4.1
189.05472	100.0
190.05824	1.4
191.06969	0.8
192.10176	0.8
194.08099	0.9
198.09099	0.7
202.08701	1.4
203.03278	0.6
204.06639	0.6
205.05011	5.3
206.08098	1.0
216.10202	2.1
217.05066	0.8
218.08180	0.4
219.06555	5.1
220.09694	1.5
222.07625	1.3
226.08717	0.6
234.07607	1.7
234.11308	1.0
235.05925	0.7
237.07579	1.2
244.09721	6.3
248.09201	1.2
254.10219	2.0
262.10751	9.3
266.10248	1.4
266.13852	1.7
272.09192	3.8
276.12329	2.0
286.10742	23.0
290.10226	15.6
290.13474	0.6
294.13367	23.2
304.11786	33.4
308.11282	3.1
322.12845	72.1
323.13074	1.5
336.14410	11.1
340.13748	0.6
345.09583	1.0
354.15460	33.8
355.15543	0.9
362.00110	0.4
363.10870	0.5
364.13776	1.0
398.05835	0.5
416.13406	1.0
430.14676	0.6
434.14407	1.4
448.16025	1.1
452.15265	0.9
456.18640	0.6
466.16855	2.6
484.18085	1.8
498.19638	1.4
516.20538	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	516.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
56.96305	1.3
56.96561	12.0
57.02715	0.6
58.57208	0.7
66.46468	0.7
67.05498	2.1
69.07064	2.5
69.84837	4.3
79.05496	0.9
81.07046	1.8
86.15527	0.8
91.05486	1.1
93.07053	0.8
94.13123	0.8
95.08604	1.3
96.03381	0.7
105.07040	0.8
107.08584	1.1
116.00224	1.1
119.08523	0.9
136.93085	5.2
148.02869	0.9
154.94154	19.8
159.03386	1.7
160.02869	1.5
169.22595	0.9
172.95239	71.2
177.95811	1.0
183.58495	0.7
190.96281	50.3
195.96841	6.7
197.98433	1.1
202.07498	1.0
208.97424	0.9
210.97739	10.9
213.97939	3.0
215.99467	1.7
216.09125	1.1
227.09447	0.9
228.97745	1.5
238.11131	1.1
240.12671	0.8
240.36456	0.7
246.98872	1.8
251.99536	0.9
252.12813	3.0
254.14183	1.1
306.27951	3.7
319.19473	1.7
330.21204	1.0
332.22522	4.8
336.22107	1.4
337.20599	1.3
346.20700	0.9
348.22113	6.4
350.23651	20.9
360.21887	0.8
362.23663	24.0
366.23254	1.2
373.24933	0.8
380.24857	1.3
391.26358	0.8
398.17603	4.0
424.19397	3.3
442.20279	13.8
460.21371	67.5
461.21350	0.9
479.22003	1.0
480.81885	0.8
498.23065	1.6
516.24023	100.0
517.24237	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	517.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04534	0.6
69.03423	2.8
69.47198	0.5
70.06577	1.7
71.48932	1.1
75.77353	0.6
79.05476	0.9
81.03420	0.7
84.04516	0.8
84.08122	0.9
85.02910	1.5
89.03928	5.5
95.04942	0.8
97.02890	0.9
98.97604	0.9
107.04942	1.6
112.07643	0.9
116.98602	0.7
117.03381	5.8
127.03895	1.0
129.10204	0.6
135.04425	16.6
145.02850	12.9
163.03905	100.0
164.04144	1.0
168.85481	0.6
237.02818	1.4
260.97824	0.7
263.13889	0.6
268.77689	0.7
270.03317	0.6
336.11197	0.7
432.59283	0.6
492.32013	0.7
517.20770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	2.7
67.05518	2.3
69.03417	6.5
69.07069	2.5
69.98185	9.5
71.04978	6.5
79.05483	3.3
81.03417	7.3
81.07046	5.1
85.02891	12.0
91.05487	7.2
93.07011	4.9
95.04954	4.0
97.02876	2.4
103.05471	2.6
105.07036	6.1
107.04959	4.1
107.08575	12.0
109.02840	3.2
109.06512	4.1
109.10169	4.4
117.07016	3.5
120.51531	2.5
121.06517	3.7
121.10181	11.3
125.02348	3.9
131.08563	3.4
133.10133	100.0
135.08022	12.2
137.09619	60.4
144.04456	4.7
149.13261	10.7
151.03885	2.5
151.11366	2.2
160.06319	10.0
161.07135	12.1
173.07097	6.7
173.13300	4.8
185.07056	2.8
187.08629	7.2
191.14310	52.5
197.07120	12.5
209.15396	28.9
236.87628	2.2
239.08034	3.0
257.05740	2.0
267.07715	4.7
285.08710	5.5
291.11176	2.4
337.11859	6.7
355.12924	43.4
356.13358	4.2
403.27072	2.5
423.66940	2.1
517.17236	4.7
518.26056	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	517.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	2.7
67.05518	2.3
69.03417	6.5
69.07069	2.5
69.98185	9.5
71.04978	6.5
79.05483	3.3
81.03417	7.3
81.07046	5.1
85.02891	12.0
91.05487	7.2
93.07011	4.9
95.04954	4.0
97.02876	2.4
103.05471	2.6
105.07036	6.1
107.04959	4.1
107.08575	12.0
109.02840	3.2
109.06512	4.1
109.10169	4.4
117.07016	3.5
120.51531	2.5
121.06517	3.7
121.10181	11.3
125.02348	3.9
131.08563	3.4
133.10133	100.0
135.08022	12.2
137.09619	60.4
144.04456	4.7
149.13261	10.7
151.03885	2.5
151.11366	2.2
160.06319	10.0
161.07135	12.1
173.07097	6.7
173.13300	4.8
185.07056	2.8
187.08629	7.2
191.14310	52.5
197.07120	12.5
209.15396	28.9
236.87628	2.2
239.08034	3.0
257.05740	2.0
267.07715	4.7
285.08710	5.5
291.11176	2.4
337.11859	6.7
355.12924	43.4
356.13358	4.2
403.27072	2.5
423.66940	2.1
517.17236	4.7
518.26056	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	517.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	24.8
57.03434	10.6
57.07063	12.0
61.02926	6.3
65.58604	6.2
67.05507	74.1
69.03415	10.8
69.07061	31.7
69.44629	36.3
71.05006	5.2
71.08616	6.7
73.02909	5.5
79.05486	42.3
81.03424	14.4
81.07055	100.0
81.58755	5.0
83.04957	6.5
83.08616	17.5
85.02908	6.7
85.06539	5.2
90.71707	4.8
91.05487	37.5
93.07049	49.9
95.04965	8.8
95.08609	57.7
95.86509	5.5
97.02874	7.7
97.06520	8.7
97.10165	17.3
99.08049	5.7
105.07030	37.5
107.04952	7.5
107.08588	35.7
109.06529	13.0
109.10172	34.0
111.08041	7.5
113.00019	42.7
117.07050	11.1
119.08596	25.1
121.10108	27.5
123.08070	13.7
123.11670	14.6
131.08556	8.1
133.10114	23.8
135.07994	10.7
135.11700	10.5
137.13231	7.4
145.10123	6.8
147.11717	13.4
149.09615	8.9
149.13284	9.9
159.11600	7.6
161.13260	13.3
163.14810	7.0
165.12752	6.2
165.16418	6.3
171.11702	8.8
172.95197	22.4
173.13307	5.4
175.14839	10.8
179.14357	15.6
190.96307	20.7
209.09581	5.8
245.22546	30.7
253.83115	5.5
263.23602	38.6
331.26285	18.5
337.27512	36.9
363.23941	6.1
405.29987	15.7
461.21527	22.9
499.32703	7.8
517.25043	23.8
518.24512	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	518.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86219	0.8
53.03951	1.7
55.01875	2.0
56.96578	0.9
57.03435	1.6
60.22400	0.6
61.02934	3.8
65.03912	0.8
69.03428	9.9
70.06586	1.9
71.04970	1.0
71.48943	1.2
72.08157	1.0
73.02914	2.2
81.03413	4.2
84.08154	1.2
85.02909	33.1
86.09723	1.1
87.04443	1.1
91.03948	1.2
95.05000	1.1
97.02892	10.0
98.97563	0.9
99.04457	2.2
109.02897	2.7
116.98633	1.0
123.04454	1.8
127.02197	0.9
127.03922	9.0
129.10278	0.9
131.04907	0.9
135.04410	2.0
137.05986	1.7
139.03926	1.1
145.04973	7.0
147.04396	8.5
149.02325	3.6
149.05980	2.0
151.03883	1.0
161.05992	1.2
163.03912	14.9
164.04170	1.2
166.08717	1.1
173.05882	0.7
175.03911	2.5
177.01866	5.2
177.05447	3.7
177.32445	0.7
180.08638	2.2
187.03914	2.2
189.05482	2.4
191.03488	1.2
195.02902	1.4
201.05438	0.8
203.03400	100.0
205.04977	7.9
206.69003	0.7
213.05457	1.3
215.03496	6.9
229.04979	3.0
231.02890	14.3
233.04446	7.5
236.09158	1.2
237.02992	1.6
237.05310	1.1
259.06018	1.2
261.03934	10.1
275.05405	1.2
279.04993	23.1
291.05005	25.2
291.08313	1.2
295.05890	1.1
303.05035	1.5
316.03021	0.8
320.15073	0.8
321.06000	8.8
338.15970	1.4
339.07092	33.2
356.10126	2.6
356.17038	2.1
357.08261	1.2
480.78931	0.8
500.21439	0.8
518.15900	2.8
518.23016	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	518.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
53.86016	1.0
55.01881	11.4
55.05519	1.3
57.03440	23.7
59.05003	3.0
61.02933	18.7
67.05503	3.5
69.03437	39.6
69.07075	1.4
69.88159	5.5
70.06582	1.4
71.01351	5.3
71.05008	2.7
72.08163	1.0
72.22464	1.0
73.02921	89.6
79.05498	23.5
81.03426	9.0
81.07068	3.4
81.57006	0.9
83.01339	1.4
83.04985	3.3
84.08121	1.2
85.02911	100.0
85.06549	32.6
85.07043	2.3
86.09698	1.1
87.04472	4.5
91.03966	6.0
93.07067	2.8
94.84984	1.1
95.04964	6.7
95.08614	1.2
97.02899	70.8
97.06546	4.9
99.04464	6.5
103.03948	4.1
105.03399	42.4
105.07076	1.4
109.02899	8.2
109.06476	2.3
115.03938	43.3
116.08317	1.1
121.06570	1.3
123.04438	97.7
127.03931	30.8
127.04859	2.3
132.06570	2.2
133.04973	42.9
135.08087	2.9
135.11752	1.0
137.05956	1.1
145.04971	50.8
150.07602	2.8
151.07596	1.6
153.09183	1.9
163.06033	23.5
163.07436	2.0
176.62764	1.1
181.08636	3.1
186.13763	1.2
189.09064	7.9
193.04942	1.3
195.85072	1.0
199.06100	1.7
199.09642	9.8
211.09705	2.0
217.07060	2.1
217.10811	3.1
219.06522	3.1
223.05986	5.5
229.10718	5.4
241.07088	8.9
244.73117	1.1
259.08096	8.2
267.21207	1.4
277.09198	3.5
285.09698	3.4
295.10300	4.7
303.23236	2.5
321.24280	2.0
518.22272	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	518.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.01876	1.8
56.05038	1.4
57.03448	2.5
58.06598	1.4
58.26472	0.8
61.02930	3.1
65.03951	1.1
67.05512	2.2
68.07768	0.8
69.03434	12.5
69.07093	1.3
70.06602	3.5
70.80232	1.8
70.80573	1.1
71.04993	1.0
71.08643	5.9
73.02914	2.6
74.06099	1.0
78.46029	0.7
79.05501	3.5
81.03414	4.6
81.07046	1.9
83.04982	1.2
84.04520	8.0
84.08157	2.7
85.02910	17.2
85.05853	0.8
86.09697	7.3
87.04475	2.2
87.09199	1.1
88.11269	9.3
91.03970	1.5
91.05493	2.9
93.07056	2.2
95.04972	12.7
96.04491	1.9
96.08183	0.9
96.85925	0.8
97.02902	8.4
97.06556	2.4
99.04452	1.1
102.05547	16.3
103.05496	1.3
105.07037	2.4
106.06596	1.7
107.04961	11.7
108.08097	0.8
109.02898	3.7
109.06528	3.0
110.09695	1.2
111.04439	1.2
114.06667	1.0
114.12843	2.4
115.03926	1.0
116.32945	0.8
117.07024	2.5
121.02879	3.5
121.06521	3.4
122.06055	1.5
123.04427	6.9
124.03957	13.2
125.02423	1.0
127.03959	5.3
129.06989	1.8
131.04942	1.6
133.06474	1.0
134.08183	1.5
135.04442	1.5
135.08084	1.4
137.05980	13.9
138.05530	2.1
139.03903	4.9
140.07101	1.2
143.04893	1.0
143.11810	1.1
145.05006	1.2
145.06465	2.1
147.04459	1.4
148.07602	1.4
149.02359	1.6
149.06032	2.3
151.03943	7.9
153.05460	1.9
158.11772	14.2
159.04424	0.9
161.05995	1.0
163.07607	2.4
164.07065	0.8
165.05492	7.7
166.08636	1.6
166.15955	4.4
167.03374	4.9
167.07121	2.6
172.03931	3.3
172.13297	1.0
173.05984	1.8
176.07150	1.0
176.14348	6.6
177.05508	1.9
185.04523	2.6
187.14424	5.5
190.08582	1.7
191.07147	1.9
194.11777	27.5
194.13583	1.5
194.15482	3.1
196.13353	2.8
198.15033	0.9
199.05988	7.0
204.06572	4.7
208.13336	7.0
210.14957	1.7
215.13953	2.5
218.15553	1.3
226.14539	1.3
236.16476	4.5
246.14949	3.3
253.07304	1.0
254.13768	5.4
264.16156	2.4
268.15558	2.8
269.10245	3.5
272.16010	1.9
278.17587	3.2
286.16510	12.7
296.18600	6.7
306.16922	3.9
310.58603	0.8
324.17996	11.5
327.12451	1.8
338.19696	18.4
356.20657	64.8
357.14038	1.9
357.21069	1.1
357.25085	1.2
375.20596	0.8
458.23746	2.1
518.26056	100.0
519.18701	7.2
519.26196	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	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
56.05025	1.1
58.06596	0.8
60.08163	16.5
64.81939	0.3
65.03935	0.4
67.05514	2.8
69.07061	1.1
69.87136	1.9
71.07372	7.3
79.05492	1.7
81.07063	2.2
86.09705	49.9
91.05488	1.0
93.07032	2.0
95.08607	1.3
98.98472	3.7
99.29986	0.3
104.10741	100.0
105.07051	0.6
105.11057	0.5
107.08590	1.2
109.10143	0.5
113.00012	1.3
115.91882	0.3
121.10146	0.6
124.99999	28.3
131.08524	0.4
133.10112	0.4
143.00998	0.4
163.01512	0.5
184.07338	99.1
185.07625	0.4
246.33508	0.4
258.11002	1.0
332.26639	0.6
335.25629	0.7
357.63971	0.4
406.30392	1.0
500.31348	9.2
518.32428	27.4
519.33063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.2
56.05035	0.5
57.03444	0.1
58.06630	0.4
59.07386	0.2
60.08165	6.3
67.05508	0.7
69.07065	0.3
70.06590	0.1
71.07371	3.0
79.05495	0.5
81.07057	0.5
86.09704	31.6
87.10008	0.1
91.05478	0.2
93.07029	0.4
95.04955	0.3
95.08617	0.5
98.21533	0.4
98.98460	3.3
104.10740	2.8
105.07047	0.2
107.08594	0.3
110.78453	0.1
112.45753	0.1
116.99529	0.1
121.10122	0.2
124.99998	21.8
143.01041	0.4
159.62964	0.1
169.31706	0.1
184.07336	100.0
185.07684	0.5
258.11002	0.2
283.17828	0.1
371.40067	0.1
373.55734	0.1
462.60049	0.1
490.83090	0.1
500.31317	1.0
518.32471	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	519.1707
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
53.03939	4.3
55.01864	3.9
57.03430	2.9
61.02919	2.9
67.05508	4.6
69.03439	11.2
69.67453	11.5
70.06590	2.0
71.01360	2.2
71.05006	3.4
72.08149	3.0
72.86082	1.8
79.05502	9.4
81.03416	8.1
83.04977	2.4
84.04509	3.2
85.02910	17.8
86.09727	9.6
87.10006	2.3
91.05447	3.9
93.07033	5.8
95.04971	71.1
95.05589	3.4
97.02894	17.4
98.20781	3.5
99.04475	3.4
103.05460	5.4
105.07030	3.4
107.04955	54.8
107.50426	1.9
109.02881	38.5
109.06506	2.8
111.04445	2.2
112.07668	2.1
112.11668	1.5
121.06477	11.4
123.04456	13.0
124.03873	3.0
125.02349	25.3
125.05967	5.0
127.03913	9.3
129.05484	2.4
131.04907	3.6
135.04416	7.7
137.05954	4.2
139.03888	1.7
145.05002	5.2
147.04388	1.7
149.05995	22.1
151.03903	100.0
153.05525	9.1
159.04398	2.4
165.05562	4.0
167.07056	3.2
177.05460	43.1
177.06917	2.7
189.05475	3.2
193.04968	22.4
194.05305	19.3
195.06538	58.2
213.07608	6.3
237.09592	2.3
295.08078	2.0
307.13867	2.9
317.14655	1.9
321.09613	2.0
324.13043	1.6
339.10837	9.6
339.16083	3.0
357.11597	3.2
357.17413	4.3
403.49802	1.8
467.41202	1.9
501.21204	2.2
519.22699	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	519.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
54.45985	0.2
57.03437	0.5
57.22623	0.2
58.34907	0.2
61.02917	0.4
62.44139	0.2
63.58522	0.2
65.03949	0.8
67.05515	0.3
69.03437	1.8
70.06579	0.4
71.05003	0.4
71.49384	0.3
71.49741	0.3
73.02936	0.4
79.05492	1.1
80.05037	0.4
81.03426	1.9
81.07030	0.3
82.06568	0.2
83.04965	0.4
84.04514	0.3
85.02906	2.1
87.76392	0.2
89.03907	1.1
91.05482	0.4
93.05788	0.3
93.07053	1.1
94.06575	1.5
95.05000	0.8
95.07352	1.1
95.08596	0.3
96.08134	2.2
97.02899	1.5
97.06524	0.4
99.04446	0.5
103.05453	0.4
107.04968	0.4
108.08125	2.8
109.02879	1.0
110.09679	3.7
116.04969	4.7
118.06564	0.5
120.04487	0.4
120.08099	3.5
121.06522	0.3
122.06036	3.9
122.09623	0.3
123.06714	0.3
124.07619	0.3
127.03897	0.9
130.05000	0.3
132.08067	0.3
134.06010	0.9
136.07578	8.5
137.05975	0.8
138.09131	5.4
139.09479	0.3
144.04448	10.5
145.05112	0.4
146.06013	3.1
147.04367	0.2
147.07712	0.3
148.03922	4.1
148.04993	0.4
148.07547	2.4
150.09137	0.6
151.03911	0.6
152.07069	0.8
154.08655	0.5
162.02167	0.2
162.05507	6.3
162.06810	0.5
164.07137	0.3
166.05048	1.5
166.06479	0.3
166.08633	12.2
172.03935	53.7
173.04279	0.5
174.05504	2.8
176.06963	0.3
179.04802	0.3
190.04991	19.5
192.06552	0.3
195.06512	0.4
204.06560	100.0
205.06929	1.6
222.07608	0.7
223.12479	0.3
251.11740	0.8
255.11238	0.8
269.12775	0.3
273.12439	0.3
279.11179	1.1
281.12616	0.3
283.10782	2.3
289.10321	0.2
297.12314	0.8
298.12823	0.3
301.11783	0.7
315.13416	0.3
316.08127	1.1
325.11838	3.7
329.14926	1.3
334.09207	3.3
339.13416	2.6
341.15088	0.3
343.12952	2.8
357.14441	13.5
366.11670	0.5
459.17499	0.7
469.15741	1.1
487.17172	4.4
488.17319	0.3
501.18362	0.9
519.18530	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	519.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
60.13494	0.4
65.03927	0.7
66.01671	0.4
67.05503	0.6
69.03428	2.1
69.58392	3.0
70.06594	0.7
73.02922	0.7
79.05496	1.1
81.03405	1.8
84.08135	0.6
85.02911	2.4
86.09704	1.0
87.04473	0.4
89.03929	0.9
92.54613	0.4
93.07027	1.5
94.06545	1.4
95.07342	0.9
96.08125	2.3
97.02883	1.7
98.20759	0.5
107.05012	0.6
108.08118	2.6
109.02877	1.4
110.09669	4.3
110.68317	0.4
116.04996	3.5
120.08138	2.9
122.06029	3.1
124.07561	0.6
127.03912	0.8
134.05997	0.5
136.07587	6.2
137.05981	0.7
138.09126	4.2
144.04449	10.2
145.05099	0.5
146.06023	2.4
147.04404	0.8
147.05502	0.6
148.03947	3.4
148.07587	1.7
150.09145	0.5
153.05402	0.5
154.08638	0.8
162.05489	5.3
165.05431	0.7
166.04918	0.8
166.08662	12.5
172.03940	52.6
174.05536	2.4
177.05421	0.6
190.04993	15.7
193.08643	0.5
204.06564	100.0
204.72252	0.5
205.06856	0.7
207.25105	0.5
222.07678	0.6
244.09734	0.5
251.11848	0.5
255.11263	0.5
266.10449	0.5
269.12881	0.7
283.10632	1.0
297.12473	0.5
301.11884	0.7
316.08084	0.6
325.11926	3.2
329.15219	1.1
334.09256	2.2
339.13519	2.3
343.12857	1.6
357.14456	12.2
469.16357	0.8
487.17224	3.5
501.18451	1.5
519.19250	2.8
519.31799	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	519.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
57.03432	0.7
62.91465	0.3
65.03946	0.5
67.05505	0.6
69.03439	2.2
69.75223	0.3
70.06584	0.7
71.04986	0.5
71.49231	0.7
73.02936	0.5
79.05493	0.7
81.03422	1.9
81.07047	0.6
84.04509	1.0
84.62069	0.3
85.02908	2.8
86.09709	0.7
87.04462	0.3
89.03916	1.2
91.05487	1.2
93.03463	0.4
93.05782	0.4
93.07043	1.1
94.06566	1.2
95.04977	1.2
95.07347	1.4
95.08608	0.4
96.08134	2.3
97.02883	1.7
97.06502	0.4
98.37808	0.4
103.05454	0.8
105.07042	0.5
107.04948	0.8
107.44996	0.4
108.08131	2.7
109.02876	1.0
110.09675	3.8
116.01718	0.3
116.04980	4.4
120.04458	0.5
120.08113	3.0
122.06032	4.1
124.07543	0.5
127.03937	1.0
130.05058	0.7
134.06056	0.9
135.04405	1.3
136.07581	7.2
137.05972	2.2
138.05490	0.4
138.09151	4.2
144.04453	10.9
145.05099	0.4
146.06026	3.9
147.07674	0.9
148.03946	4.7
148.07547	2.0
150.09181	0.7
151.03995	0.7
152.07043	0.8
153.05351	0.4
154.08609	0.4
161.05945	0.4
162.05518	6.1
163.07449	0.4
164.06990	0.4
166.04959	1.7
166.08649	11.6
172.03940	54.1
173.04413	0.5
174.05478	2.6
176.07098	0.3
177.05533	0.5
190.04994	18.7
201.05484	1.1
204.06569	100.0
205.06898	1.3
222.07518	0.6
232.06218	0.4
232.15193	0.5
250.10724	0.5
251.11804	0.8
253.13324	0.6
255.11392	0.7
257.12741	0.4
269.12479	0.3
279.11331	1.1
281.12964	0.6
283.10843	2.0
297.12366	0.7
301.11929	0.6
303.86258	0.4
315.13348	0.5
316.07959	0.5
325.11884	3.6
329.14914	1.4
333.11713	0.5
334.09174	3.3
339.13443	2.1
343.12985	2.1
357.10233	0.7
357.14441	11.5
366.11966	0.4
428.64566	0.4
459.17319	0.9
487.17139	4.4
501.18665	1.3
519.19110	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	519.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35804	0.3
67.25285	0.3
70.06590	0.3
70.84895	0.8
107.69471	0.3
119.05107	0.3
128.28114	0.3
137.05989	0.7
152.11021	0.3
163.51772	0.3
190.93027	0.3
266.69580	0.3
357.18915	2.9
394.88693	0.3
443.18756	0.4
459.22073	0.9
487.21225	0.7
501.23160	0.6
519.24127	100.0
520.24231	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	519.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.3
69.03428	0.4
69.31298	1.8
69.31717	0.5
70.06597	0.5
72.08154	0.3
79.05499	0.4
81.03416	0.3
81.07066	0.4
84.04465	0.2
84.08147	0.2
85.02895	0.9
86.09701	0.3
91.05466	0.4
93.07056	0.3
95.04986	0.6
97.02895	0.3
97.06530	0.3
105.06993	0.4
107.04977	0.7
121.06474	0.4
127.03963	0.3
137.05946	1.1
149.06038	0.3
151.03906	0.4
159.11818	0.2
167.07088	0.3
172.03911	0.4
175.07556	0.2
185.04323	0.3
187.03877	0.3
191.14270	0.2
194.11801	0.3
194.44984	0.2
199.06122	0.3
203.05251	0.7
204.06555	0.7
208.06621	0.2
209.15453	0.4
232.66798	0.2
259.07858	0.9
268.10715	0.5
276.61011	0.2
283.06311	0.6
283.15295	0.4
305.04221	0.3
332.11224	0.4
356.20566	0.4
357.18317	2.5
459.22141	0.4
469.21051	0.3
487.15195	0.4
487.21603	3.0
519.24152	100.0
520.24103	1.2
525.77631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.242
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42934	0.2
67.05506	0.4
69.03426	0.5
69.55455	0.2
69.55804	1.6
70.06593	0.8
71.70139	0.2
72.08165	0.3
79.05485	0.4
81.03427	0.6
81.07055	0.4
84.08136	0.5
85.02906	0.7
86.09705	0.5
86.18631	0.2
88.11279	0.3
93.07050	0.4
95.04977	0.7
95.08591	0.2
97.02895	0.4
97.06549	0.2
107.04955	0.4
109.02874	0.3
116.98599	0.3
121.10200	0.2
124.03932	0.4
127.03953	0.3
129.10242	0.2
136.07617	0.3
137.05997	0.9
145.10103	0.2
151.03920	0.8
158.11787	0.3
163.36571	0.2
165.05519	0.3
172.03929	0.6
172.14708	0.2
177.05495	0.4
185.04306	0.4
203.05266	1.0
204.06572	0.6
209.15477	0.3
217.97702	0.3
243.09703	0.4
251.08499	0.2
252.09129	0.3
259.07819	1.4
268.10803	0.7
283.15170	0.5
291.01840	0.3
322.74048	0.2
357.18423	2.7
443.19260	0.4
459.22107	0.9
487.21622	4.0
501.22977	0.7
519.24182	100.0
520.24359	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	519.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73503	2.0
55.05499	4.6
55.81504	2.2
67.05500	18.7
69.03436	12.8
70.06598	13.0
72.08150	5.3
73.02920	4.1
79.05483	6.3
81.03437	4.0
81.07050	4.4
83.99355	2.5
84.04500	5.5
84.08140	7.4
85.02884	10.9
85.06561	12.4
86.09699	6.8
91.05479	6.3
93.07032	9.6
95.04960	7.3
95.08612	87.9
97.02894	5.8
99.04464	2.6
105.07014	8.3
107.04927	6.3
107.08604	6.6
109.02873	5.3
113.06009	10.4
115.03940	3.8
119.08589	15.9
120.08018	2.2
121.06438	2.7
121.10146	6.9
123.08076	30.9
127.03901	2.7
128.98700	2.4
129.10211	3.1
130.05005	4.8
133.10101	2.5
135.04391	5.6
135.11696	14.2
136.07578	3.5
137.05949	4.2
137.09641	3.6
145.04887	4.1
147.05511	4.3
147.07721	7.2
147.11714	7.3
149.05930	4.8
149.09621	37.0
151.03836	5.3
151.14822	4.1
153.92741	2.5
155.36504	2.6
161.13281	13.8
163.11176	8.0
165.05440	7.8
165.12750	6.9
167.07010	4.9
171.11743	3.1
177.05473	6.0
189.12753	18.2
205.07069	2.5
207.13812	100.0
225.14926	5.8
269.79050	2.4
287.13803	2.8
299.06244	3.0
351.58487	2.4
357.15073	12.1
371.50067	3.0
501.22308	2.9
519.21661	8.9
519.30237	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	519.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.1
55.01855	5.7
55.05513	28.0
57.03425	2.2
57.07072	10.5
59.25941	1.4
65.03929	1.8
67.05510	15.0
69.07070	25.4
69.20152	9.1
69.20586	5.4
71.04983	3.2
71.07515	1.3
71.08630	5.4
71.91867	1.3
74.78002	1.4
79.05495	20.4
81.03407	1.8
81.07057	16.5
83.04973	3.1
83.08624	26.0
85.10148	2.0
91.05489	8.7
93.06499	2.7
93.07047	33.2
95.04971	6.1
95.08608	32.7
97.02896	2.0
97.06532	3.8
97.10174	18.4
99.04474	2.2
103.24797	1.5
105.07038	6.7
107.04956	7.3
107.08595	28.5
109.06515	2.9
109.10111	3.3
111.08066	1.6
111.11729	4.6
117.07021	8.4
119.08598	9.9
121.06515	6.2
121.10154	11.2
125.05980	2.3
130.07799	1.6
133.10089	2.1
135.11696	43.7
139.07491	1.5
145.10146	23.7
163.11188	55.5
181.12277	13.5
217.86345	1.6
227.12784	100.0
237.22133	11.5
519.36810	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	520.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05340	1.6
55.01863	2.2
57.03426	1.6
58.54530	1.4
59.79993	1.5
61.02922	3.4
69.03427	7.3
70.47968	4.4
74.19831	1.6
75.57769	1.6
76.52966	1.5
81.03414	5.0
85.02904	29.5
85.62370	1.5
87.79875	1.5
91.05759	1.7
97.02332	1.6
97.02879	10.9
99.04450	1.8
102.63970	1.4
109.02860	2.4
114.05527	1.5
127.03909	4.9
131.04875	5.3
135.04463	3.4
137.02315	5.4
139.03914	2.6
145.04977	4.8
147.04404	2.2
149.05971	4.4
159.04419	5.8
161.05907	1.8
163.03902	24.6
169.06447	3.1
175.03865	3.5
177.05472	20.6
179.03430	2.3
180.08658	1.6
187.03848	3.5
189.05475	3.8
191.03458	1.9
193.04991	3.4
197.05910	3.0
199.03905	4.0
201.05458	5.3
203.03441	3.8
205.04964	52.6
207.02928	8.1
213.05576	2.9
215.07094	3.8
217.04959	13.4
221.04712	1.5
229.05002	5.1
231.06633	2.6
241.05083	2.3
259.06061	6.1
272.19406	1.5
277.07043	6.6
295.08112	3.4
305.06522	2.8
323.07605	100.0
341.08640	4.0
358.11270	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	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
54.30627	0.4
55.01872	1.4
55.05513	1.2
57.03447	2.4
57.07083	1.2
59.05004	0.8
61.02929	1.9
62.40102	0.3
67.05498	1.7
69.03433	35.7
69.07077	2.1
71.01360	0.4
71.04992	1.0
73.02519	0.6
73.02922	8.7
76.84730	0.4
79.05482	1.1
81.03432	0.9
81.07059	3.5
83.04991	2.7
83.08625	0.9
85.02911	10.7
85.06538	2.4
87.04475	0.6
91.03976	0.4
91.05488	1.7
93.07047	3.0
95.04941	0.7
95.08614	5.9
97.02309	0.7
97.02895	8.1
97.06510	2.4
99.04462	0.7
103.03950	0.5
105.07027	2.6
107.08604	9.1
109.02883	0.6
109.06531	4.1
109.10165	1.4
111.08085	1.8
115.03934	3.1
117.07009	0.4
119.08594	2.0
121.06516	1.6
121.10152	7.7
123.08025	2.3
123.11719	6.1
125.09637	16.5
127.03934	2.9
131.08565	4.2
133.04968	3.2
133.10126	3.6
135.07027	0.6
135.08055	9.3
135.09042	0.7
135.11703	3.9
137.05951	0.3
137.09634	0.6
143.08620	0.5
145.04985	3.0
145.10152	2.3
147.11725	1.8
149.09641	5.4
149.13257	3.3
150.10382	0.7
151.11206	0.9
153.09113	6.3
158.10909	2.4
161.09677	0.4
163.06003	1.2
163.11119	1.6
163.14836	3.7
165.12732	2.4
173.13271	18.0
176.11987	1.1
191.14313	62.7
192.14677	0.5
209.15372	100.0
210.15680	1.3
241.07100	0.8
246.28792	0.3
259.08075	0.9
270.67969	0.3
274.64258	0.4
326.85843	0.3
371.20581	0.4
401.42438	0.4
520.24341	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	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.05508	0.9
57.03421	1.2
57.07071	0.7
61.02919	1.3
65.03931	0.6
67.05492	2.0
69.03421	2.4
69.07063	2.5
70.06570	1.1
71.48650	0.8
73.02914	8.0
79.05497	4.7
81.03407	0.6
81.07045	2.3
83.04938	0.7
85.02906	2.9
86.09693	1.2
91.05477	9.1
93.07040	4.1
93.20199	0.5
95.04959	1.2
95.08580	2.0
97.02878	3.1
103.05448	0.8
105.07032	11.9
107.04942	1.5
107.08597	10.8
109.06522	1.1
109.10144	0.6
115.03909	1.1
115.05496	1.0
116.06235	0.8
117.07017	5.4
119.08583	12.0
121.06505	0.7
121.10149	9.8
121.10970	1.0
123.08051	1.4
127.03957	0.9
128.06252	0.8
129.07010	4.6
130.07764	1.8
131.04907	0.5
131.08563	19.3
133.04980	0.7
133.10146	4.4
134.98376	0.5
135.04416	0.9
135.08049	2.8
135.11670	1.1
137.05971	2.4
138.06354	0.6
143.08559	10.6
144.09335	2.5
145.05017	0.7
145.10121	12.4
147.11685	6.5
149.09624	1.2
149.13252	7.1
151.03886	1.2
156.09349	0.7
157.10062	0.7
158.10890	10.2
158.12115	0.8
173.13272	23.5
175.14827	4.5
191.14305	100.0
192.14703	1.6
209.15491	1.1
226.14420	0.7
244.15605	2.9
520.18408	1.4
520.26038	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	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97179	0.8
53.03944	2.5
55.01868	2.9
55.05512	5.5
57.03440	5.4
57.03679	1.1
57.07059	3.2
59.05003	1.0
61.02925	6.0
65.03935	1.7
67.05508	5.3
69.03426	11.2
69.07068	24.3
70.06584	4.2
71.01379	1.5
71.04994	5.2
71.08644	1.0
71.20211	2.1
72.08174	1.0
73.02917	29.3
79.05495	10.2
81.03417	3.9
81.07048	7.0
82.32127	0.9
83.04979	2.4
83.08623	7.6
85.02905	18.2
85.03391	1.4
85.06551	6.1
86.09707	1.2
87.04456	1.9
91.05483	17.4
93.07043	46.6
95.04971	4.2
95.08603	5.4
97.02892	14.7
97.06527	15.9
99.04465	2.5
103.05479	1.1
105.07027	24.6
107.04972	5.4
107.08595	59.5
109.02868	2.5
109.06495	4.3
109.10143	9.1
111.04433	1.7
115.03938	9.0
115.05403	0.8
115.07543	1.6
117.07014	2.9
117.82722	0.9
119.08574	20.8
120.08132	1.2
121.06504	1.9
121.10145	64.5
121.31828	0.9
123.08080	3.6
123.11716	3.3
127.03931	5.8
129.07050	1.4
131.08557	24.3
132.06551	1.2
133.04956	6.6
133.10126	100.0
135.04430	1.8
135.08061	9.7
135.11682	10.3
137.05980	2.9
137.09669	2.2
143.08563	4.2
144.09291	1.1
145.04955	7.7
145.10115	8.4
147.11678	3.0
149.09633	3.5
149.13261	4.7
150.07614	4.2
151.03862	1.1
157.10117	1.5
158.10901	5.3
161.13246	1.5
163.06064	5.2
163.13467	1.4
163.14821	25.2
163.16144	1.5
165.05498	2.3
167.06952	1.6
171.11708	1.9
173.13260	54.4
177.05461	1.6
180.09238	0.9
181.12256	1.3
185.08105	1.4
187.14890	1.0
191.14305	96.6
193.05107	1.2
195.06456	1.7
204.06679	1.3
207.13783	2.1
209.07983	1.0
209.15399	7.5
215.07199	1.1
215.09178	4.2
219.13924	1.1
223.06009	1.6
233.10175	2.5
233.15425	1.9
241.07077	1.5
241.15817	0.9
244.55232	0.9
257.15448	1.1
259.08173	4.1
269.15234	1.1
277.09155	1.2
287.16382	2.6
295.10245	3.7
305.17465	2.1
312.55334	1.0
323.18625	11.1
335.18527	1.5
347.13229	2.5
353.19650	8.2
520.20587	1.2
520.27966	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	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.01867	4.4
55.05507	2.9
57.03438	9.2
59.04990	1.3
61.02938	6.2
67.05501	2.7
69.03433	17.2
69.07079	6.0
69.53386	7.1
71.01366	1.4
71.04986	2.7
73.02917	25.4
77.39700	0.8
79.05478	2.4
79.40862	0.8
81.03417	4.6
81.07063	4.8
85.02906	33.6
85.06542	5.2
87.04450	1.4
91.05482	8.7
93.07037	6.1
95.05002	1.6
95.08591	2.4
97.02893	26.5
97.06519	9.9
98.21507	1.9
99.04423	2.3
103.03964	1.2
105.07024	24.5
107.04970	1.5
107.08586	9.6
109.02892	4.2
109.06568	1.1
109.10149	5.0
111.08070	0.9
115.03940	9.3
115.05436	0.9
117.07058	2.0
119.08585	19.5
120.03532	1.0
121.06509	1.1
121.10139	11.9
123.08086	1.4
123.11722	3.0
127.03902	11.5
129.07031	1.4
131.08569	21.3
133.04970	8.7
133.10132	46.2
135.04378	1.4
135.08046	3.1
135.11693	1.3
143.08597	1.2
145.04965	10.6
145.10123	9.4
147.11688	54.9
148.41313	0.9
149.09657	1.5
149.13272	1.4
158.10916	3.8
163.06058	4.3
163.14848	3.1
165.05522	1.3
169.05014	1.1
173.13268	62.3
174.13603	1.2
175.14825	37.4
177.05505	1.7
177.25774	0.9
191.14310	100.0
209.08267	1.0
209.15379	1.4
211.13234	1.8
216.55022	0.9
223.06062	2.3
236.66603	0.9
241.07243	2.1
259.08066	1.8
262.57086	1.0
277.09296	1.1
288.12393	1.4
353.41934	1.0
406.49954	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	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01859	3.4
55.05498	1.9
55.25158	0.7
57.03440	6.2
57.07091	1.2
61.02915	3.3
67.05494	3.0
69.03429	92.9
69.07061	4.7
69.48954	4.4
69.49376	1.6
70.06599	1.9
71.01373	0.9
71.04988	2.9
72.08150	1.6
73.02921	17.7
79.05487	3.5
81.03417	2.5
81.07057	6.0
83.04969	3.3
83.08617	2.0
84.08132	1.3
85.02905	24.8
85.06522	1.0
86.09702	3.7
87.04451	1.5
91.05469	2.6
93.07039	4.7
95.04957	2.1
95.08613	8.4
97.02889	17.8
97.06524	6.6
99.04460	1.1
103.03899	1.5
103.05474	1.1
105.07008	4.2
107.04932	3.4
107.08588	15.2
108.54923	0.7
109.02872	2.1
109.06516	5.0
109.10144	1.9
111.08038	2.6
111.46347	0.7
113.19379	0.7
115.03910	6.4
117.07020	0.9
119.08563	3.3
120.08097	0.8
121.06490	3.8
121.10141	18.8
123.08060	2.3
123.11701	23.6
127.03915	6.4
128.64828	0.7
131.08568	4.7
133.04984	5.9
133.10081	4.0
135.04410	1.6
135.08047	10.3
135.11682	12.4
137.05980	2.6
137.09598	0.9
139.03860	0.9
143.03369	1.3
143.08591	1.1
144.09348	1.3
145.04961	7.5
145.10117	4.0
147.11676	3.3
149.09595	4.0
149.13266	3.7
151.03879	1.2
153.05457	1.1
153.09004	1.0
157.04936	2.8
158.10907	3.1
161.09500	0.9
163.06013	2.9
163.07390	1.0
163.11180	1.6
163.14822	11.8
165.05455	3.5
167.07050	2.6
173.13263	26.3
191.14302	73.3
192.14754	0.9
209.15366	100.0
210.15723	1.9
220.66684	0.8
223.06047	1.6
241.06969	1.1
259.08185	2.0
270.15134	0.9
309.09683	2.0
323.11295	1.2
371.91992	0.8
373.17822	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57338	0.7
52.70573	0.7
53.03952	1.4
55.01869	4.0
55.05509	3.3
57.03435	9.5
61.02929	4.9
63.71727	0.7
67.05500	3.3
69.03430	19.7
69.07076	4.8
70.81599	1.9
71.01349	1.5
71.04978	2.5
72.75546	0.7
73.02917	30.5
79.05489	3.3
81.03428	3.0
81.07055	3.0
83.04996	0.9
83.08624	1.6
85.02907	43.2
85.06553	2.1
87.04461	3.3
91.03943	1.8
91.05478	10.1
93.07052	6.0
95.04978	1.7
95.08608	3.3
97.02893	27.6
97.06525	7.5
99.04462	2.3
103.03942	1.0
103.05447	1.5
105.06319	1.7
105.07033	34.4
107.04938	1.0
107.08584	5.6
109.02858	3.7
109.06524	2.0
109.10155	3.4
115.03931	10.1
117.07017	1.6
119.07721	1.4
119.08580	27.1
121.06479	1.2
121.10145	15.8
123.08091	2.8
123.11721	2.3
127.03928	9.8
129.07011	1.0
131.08574	24.7
133.04970	10.8
133.10129	27.9
134.10405	0.8
135.08102	1.3
135.11737	1.9
137.09584	0.7
138.21707	0.7
143.08585	1.5
144.09369	1.2
145.04950	12.0
145.10130	9.8
147.11687	100.0
148.11998	0.9
149.09599	5.9
149.13295	1.3
151.11194	1.4
154.38956	0.7
156.15613	0.8
157.10201	1.3
158.10913	2.6
159.11665	1.3
163.06006	3.6
163.11185	1.9
163.14810	1.9
171.11691	1.0
173.13263	63.0
174.13649	1.4
175.14822	52.4
177.05553	1.3
189.12769	0.9
191.14308	86.1
209.15352	10.5
223.06099	1.9
241.07137	2.7
259.08170	3.3
289.36520	0.8
295.10245	1.0
410.63330	0.8
492.95413	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	520.3398
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
54.14107	0.3
55.05501	1.0
56.05027	1.2
57.03429	0.6
58.06604	1.2
59.07392	0.6
60.08164	17.1
62.87568	0.3
67.05511	3.9
67.49465	0.3
69.07055	1.3
71.07372	6.9
71.20435	0.4
71.20768	0.4
75.19385	0.3
79.05466	0.8
81.07052	3.0
83.08625	0.9
86.09705	53.3
90.89564	0.3
91.05479	0.4
93.07056	0.9
93.98078	0.3
95.08628	2.0
98.98481	3.9
102.55684	0.3
104.10742	100.0
109.10160	0.5
121.10133	0.4
125.00005	27.4
131.00208	0.4
133.10091	0.4
163.01501	0.7
184.07339	96.1
223.92532	0.3
258.11066	1.3
337.27274	1.1
502.25839	0.5
502.32922	8.2
517.47034	0.3
520.33997	25.4
532.67841	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	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
56.05021	0.5
57.03442	0.1
58.06638	0.4
58.16895	0.1
59.07396	0.2
60.08165	6.0
63.81763	0.1
67.05498	0.7
67.10506	0.1
68.17508	0.1
69.07076	0.3
69.57629	0.5
69.58038	0.2
70.06570	0.1
71.07368	3.0
79.05495	0.2
81.07053	0.6
86.09707	31.4
91.05492	0.2
93.07030	0.3
93.27026	0.1
95.05007	0.1
95.08607	0.4
97.10194	0.1
98.21561	0.1
98.98463	2.9
104.10740	2.7
105.07030	0.2
109.10188	0.1
116.42579	0.1
119.08591	0.1
125.00005	20.9
143.01047	0.3
152.70901	0.1
178.75888	0.1
184.07341	100.0
185.07666	0.3
215.46150	0.1
258.10989	0.2
305.88254	0.1
337.27145	0.2
358.07709	0.1
362.08029	0.1
502.32919	1.0
520.26874	0.1
520.34064	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	521.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68373	3.6
62.59496	3.1
62.98268	5.4
69.01830	2.9
69.03403	3.7
70.69475	3.2
71.48973	3.5
71.49299	3.9
81.74619	3.3
85.02890	11.6
87.72575	3.4
98.97565	8.9
116.98609	4.9
118.97188	9.8
127.03942	6.2
128.98611	5.6
131.01918	4.4
132.98708	6.4
153.02313	3.8
160.01357	3.9
160.51447	3.6
168.53906	3.5
173.03011	4.1
178.97194	34.4
178.99278	76.9
181.01929	5.2
185.04245	5.3
187.02010	3.8
187.04028	3.6
190.02428	4.2
196.97382	8.5
196.99092	7.8
202.02499	3.4
203.05318	28.9
214.98364	5.8
215.00272	4.7
232.03535	5.3
237.02661	4.9
238.98141	10.3
239.00160	37.7
241.03995	6.9
245.05022	5.8
251.00180	18.7
252.06560	3.8
256.99081	6.8
269.01266	6.4
280.37918	3.4
281.07047	4.8
289.15656	4.8
292.05176	4.6
299.02176	12.1
313.05927	5.2
365.10599	100.0
381.07666	11.3
403.04855	3.9
521.14386	48.3
521.24774	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	521.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33053	0.5
51.48854	0.5
52.97869	0.4
57.03447	0.4
68.99820	0.5
69.03424	0.6
70.06586	0.8
84.08128	0.8
85.02910	1.2
105.07043	0.6
106.19357	0.5
135.09132	3.6
136.11264	0.9
137.05981	0.8
148.09984	1.9
149.10693	0.6
151.90379	0.6
161.10718	0.9
165.05489	0.6
173.10841	0.7
174.11600	0.7
175.12270	4.1
176.13092	34.8
177.13632	0.6
187.12349	1.9
189.13927	1.2
201.10323	2.1
201.13867	15.6
202.14647	2.5
213.13959	1.5
215.15491	1.0
227.15477	0.6
229.10004	0.9
229.13365	13.9
230.14145	0.6
231.14909	6.9
243.14941	6.1
245.16493	12.4
245.18813	1.0
257.12854	55.5
258.13342	0.9
261.15903	0.5
271.14404	30.2
273.15997	2.7
275.13925	0.6
289.15457	49.9
290.16299	2.2
297.19781	0.7
313.19186	0.8
315.20941	0.8
327.17139	3.3
331.20248	1.3
341.18634	2.9
359.19757	25.5
521.25146	100.0
522.25452	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	521.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01868	4.4
55.05514	18.0
57.03442	3.6
57.07082	28.8
65.03949	2.6
67.05506	27.3
69.03432	1.6
69.07073	12.5
69.54746	1.7
71.05003	1.9
71.08639	20.1
71.93794	1.4
79.05497	22.3
81.03416	13.2
81.07059	32.4
83.04976	6.0
83.08617	20.3
85.06546	1.8
85.10178	12.1
91.05474	10.4
93.07041	33.5
95.04950	9.0
95.08610	45.8
96.96391	1.7
97.02885	5.3
97.06522	3.1
97.10166	7.3
98.21538	4.2
99.04450	3.5
99.11720	1.6
105.07047	8.7
107.04961	5.1
107.08596	26.3
109.06512	3.1
109.10169	9.6
111.08048	2.2
111.11707	1.7
117.07025	9.8
119.08573	9.1
121.06506	4.6
121.10146	11.6
123.11700	4.1
125.06034	2.1
129.07076	2.0
131.08572	2.1
133.10193	2.6
135.08099	2.4
135.11690	40.5
137.13210	1.9
143.10396	1.4
145.10141	24.3
149.09723	1.9
159.20000	1.4
163.11185	53.5
181.12244	14.7
193.12256	8.8
209.11696	3.5
227.12781	100.0
228.13152	1.7
228.34737	1.7
234.14825	1.6
239.23730	4.6
239.47975	1.8
248.36674	1.7
267.15759	9.3
311.25903	7.6
410.65494	1.7
503.37225	4.4
521.38397	65.4
522.38678	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	521.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01865	6.1
55.05511	25.4
56.32298	1.6
57.03427	4.0
57.06808	3.0
57.07074	49.3
59.04982	3.1
61.00633	1.4
64.23011	1.2
65.03925	2.0
67.05502	31.4
69.03418	1.3
69.07070	15.0
69.48470	10.0
71.04983	3.4
71.08245	2.2
71.08630	29.7
79.05492	21.1
81.03422	10.3
81.07050	35.7
83.01347	8.1
83.04992	9.0
83.08170	1.8
83.08623	21.3
85.02901	2.3
85.06557	1.9
85.10188	15.4
87.39595	1.5
91.05466	12.9
93.07048	20.2
95.04961	8.7
95.08604	34.3
96.39265	1.3
97.02895	3.0
97.06516	3.2
97.10168	8.3
99.04475	2.2
105.07018	10.7
107.04960	9.3
107.08600	11.3
109.06532	7.4
109.10157	14.0
111.04462	2.2
117.06996	7.4
117.32248	1.3
119.08575	6.4
121.06519	2.5
121.10172	7.4
123.08060	5.6
123.11694	4.8
125.05999	1.6
130.00815	1.4
130.07756	2.1
133.10110	1.6
135.08031	1.7
135.11694	15.0
137.13278	2.8
145.10135	17.9
147.08070	2.5
151.14827	2.0
153.12772	3.8
155.08572	1.8
163.11169	29.1
173.09653	3.7
181.12238	5.0
191.10712	3.2
209.11732	12.4
227.12811	19.6
239.23711	10.0
246.58980	1.6
329.23581	1.4
521.38385	100.0
522.38483	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	522.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01872	0.3
55.93504	0.3
57.03440	0.7
57.69402	0.2
58.22239	0.2
61.02919	0.8
63.02387	0.3
69.03441	2.3
69.07065	0.5
70.06587	0.4
71.10069	0.5
71.92977	0.2
73.02901	0.3
79.05497	0.9
81.03423	0.8
85.02908	6.9
89.03920	3.7
90.94829	0.3
91.03975	0.4
91.05482	0.3
97.02896	2.3
98.97598	0.2
99.04456	0.3
107.04969	1.7
109.02903	0.5
111.04411	0.2
117.03379	5.4
119.05007	0.2
120.08095	0.4
127.03927	1.6
135.04419	13.4
139.03889	0.5
145.02855	11.5
145.04857	1.6
146.97408	0.4
149.96075	0.2
158.46935	0.2
158.97424	0.2
163.03903	100.0
164.04291	0.8
164.98468	1.0
171.00993	0.2
180.08748	0.4
181.04959	43.5
182.05272	0.5
213.99203	0.3
215.00060	0.6
227.03688	0.4
253.03250	0.2
271.02560	1.7
289.03729	0.4
306.04013	0.3
307.04724	0.5
325.09119	0.6
431.09882	1.1
471.64630	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	522.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.8
57.03426	5.1
57.07066	2.9
60.21958	1.3
67.05149	1.8
67.05503	28.8
69.07068	16.9
69.93689	7.3
71.15289	1.5
79.05479	8.8
81.03420	1.6
81.06602	2.8
81.07054	31.9
83.08614	9.9
88.03990	7.8
91.05488	7.3
93.07063	8.2
95.04966	2.4
95.08598	18.7
97.10163	3.0
98.98455	5.6
99.08059	2.0
105.07018	6.1
106.05004	2.5
107.08601	3.5
107.56770	1.5
108.78722	1.6
109.10149	7.7
111.11691	1.9
119.08545	4.8
121.10126	4.3
123.11677	4.5
123.58010	1.6
124.93748	5.0
133.10109	4.3
135.11707	2.5
144.02928	1.6
147.11646	1.6
149.13237	1.5
161.13353	1.6
173.02155	1.7
198.97450	22.5
216.98543	3.0
337.27356	100.0
350.26968	3.5
522.25610	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	522.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
54.81372	2.4
55.01865	7.0
55.05509	31.9
56.96528	4.0
57.03430	12.0
67.05505	24.9
69.03431	5.6
69.07078	13.8
69.79250	15.1
71.05000	2.9
76.11710	2.6
79.05487	20.8
81.03421	51.7
81.07058	18.6
83.04965	9.4
83.08622	27.1
85.02907	4.4
91.05486	14.0
93.07045	18.2
95.04962	15.3
95.08592	6.3
97.06536	21.7
97.10168	40.8
98.20855	3.1
98.98470	5.2
105.07003	8.9
106.87704	2.6
107.04917	6.5
107.08588	17.2
109.06487	4.5
109.10132	7.3
111.08108	4.3
117.07102	2.7
119.08582	11.1
121.10152	5.7
125.09628	46.6
129.06987	5.9
131.08568	6.3
133.10069	4.7
135.08051	7.3
141.06937	2.3
143.08507	2.8
145.10135	3.4
147.11713	3.9
153.09113	4.9
157.10162	4.4
175.11172	6.5
189.11252	29.7
192.18265	3.1
193.12231	26.8
202.96538	2.6
207.17560	3.2
211.13217	5.1
227.12781	51.4
245.13834	63.0
267.15909	100.0
268.16217	3.3
276.20404	3.7
278.59457	2.7
285.10083	4.6
293.84988	2.7
311.16748	3.0
349.16885	4.9
350.23764	3.2
359.12769	2.9
409.16428	3.8
419.24277	9.9
437.25388	64.5
522.27869	5.0
523.20050	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	522.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
56.05034	1.1
57.03423	0.7
57.07066	1.7
58.06610	1.4
60.08167	18.4
60.73904	0.4
67.05513	2.3
69.07064	3.2
69.82507	1.9
71.07375	6.7
71.08644	1.0
79.05507	1.3
81.03414	1.2
81.07069	2.8
82.07387	0.5
83.05008	0.5
83.08629	1.7
84.09013	0.3
85.02934	0.4
85.10202	0.6
86.09708	50.4
90.42715	0.4
91.05492	0.9
93.07045	0.9
95.04967	0.6
95.08624	2.2
97.02900	0.5
97.06557	0.4
97.10172	1.0
98.98470	4.2
103.06705	0.4
104.10743	100.0
105.07021	0.7
105.11091	0.8
107.04966	0.6
107.08614	0.7
109.06523	0.4
109.10155	1.2
111.04417	0.4
121.10142	1.2
125.00004	27.3
127.01913	0.4
134.84338	0.3
135.11671	0.8
136.11967	0.4
143.01062	0.4
145.10081	0.5
147.07951	0.4
154.94260	0.4
159.44177	0.4
163.11122	0.4
164.11525	0.4
172.95280	1.0
180.41180	0.3
181.02687	0.3
184.07344	97.6
185.07690	0.8
185.28149	0.3
190.96304	0.5
193.12204	0.6
209.11708	1.2
210.12100	0.8
228.13260	0.4
228.97990	0.4
258.10889	1.0
296.49963	0.4
302.80011	0.3
313.27231	0.4
339.28888	1.3
445.26822	0.8
474.68137	0.4
504.34442	9.2
505.34595	0.4
522.35425	26.8
523.23450	0.8
523.35931	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	522.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
55.16553	0.2
55.88721	0.2
56.05033	0.7
57.03430	0.4
57.07065	0.4
58.06364	0.2
58.06627	0.5
59.07375	0.2
60.08162	6.1
67.05506	0.6
68.72244	0.1
69.07062	0.7
70.06590	0.3
70.48965	0.5
71.07366	2.7
78.99059	0.2
79.05483	0.5
81.03430	0.2
81.07053	0.5
83.08624	0.4
84.14571	0.2
86.09703	29.5
87.10035	0.2
88.07672	0.2
91.05468	0.2
93.07037	0.5
95.04969	0.3
95.08610	0.3
97.10177	0.3
98.98460	3.0
100.12515	0.2
104.03510	0.2
104.10741	2.9
107.34628	0.2
109.10173	0.4
113.73745	0.2
124.99996	19.9
129.07018	0.2
135.11742	0.2
143.01056	0.5
154.94139	0.3
161.67767	0.2
172.95245	0.6
184.07333	100.0
185.07651	0.7
190.96179	0.4
228.97807	0.3
237.07570	0.2
246.98921	0.2
253.04321	0.2
258.11081	0.5
278.37451	0.2
339.28632	0.2
504.34180	0.9
522.35498	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	523.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03263	0.7
55.05508	0.9
60.57147	0.8
65.03926	0.8
67.05486	0.9
69.03420	3.1
70.06578	1.4
71.05012	5.5
71.49114	0.9
72.08122	0.9
74.92545	0.7
79.05487	1.6
81.03414	1.3
82.74843	0.7
83.05002	0.9
84.04482	1.0
84.08147	0.9
85.02902	2.0
86.09719	1.5
87.04485	1.1
89.03916	5.4
91.05452	1.7
93.07051	1.1
93.13874	0.7
95.04958	1.0
97.02898	1.7
97.52579	0.7
99.04507	0.7
102.07372	0.7
103.05468	1.0
105.07034	1.4
107.04946	2.8
109.02874	2.5
111.02673	9.8
111.04417	1.2
113.05994	1.5
117.03393	5.5
117.07005	0.9
120.08086	1.0
127.02159	2.3
133.04729	0.7
135.04416	14.1
136.07614	1.2
137.00558	2.3
137.04108	0.9
137.06015	2.5
138.09128	2.1
139.03935	2.8
141.05461	7.3
145.02850	11.0
147.04446	1.6
147.05534	10.9
147.08057	1.0
153.03679	1.4
154.02609	2.0
163.03903	100.0
163.07513	1.6
164.07065	1.9
166.08725	4.2
169.04964	9.1
175.07625	0.8
179.05267	16.8
181.06769	6.3
185.44415	0.7
197.06317	8.9
199.07954	2.3
203.06871	0.8
209.04636	0.7
211.13315	0.8
212.06525	0.7
215.07278	0.8
241.09946	0.9
243.06561	0.8
273.06879	1.7
285.12405	1.3
287.10291	1.4
299.05606	1.2
299.13992	0.9
313.11868	0.8
317.14828	1.0
325.10007	5.9
329.11282	1.4
331.08160	12.4
343.12567	0.9
361.13770	1.5
445.16385	0.8
473.15445	2.0
505.17947	2.8
523.19299	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	523.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04723	0.3
55.01878	0.4
57.03444	0.6
59.06108	0.5
61.02920	0.9
63.71228	0.3
69.03429	2.6
69.40948	3.2
70.06571	0.4
73.02905	1.1
79.05501	0.8
81.03425	1.3
85.02905	2.4
85.07663	0.4
87.04475	0.8
91.05492	0.5
93.07051	0.4
97.02901	1.4
99.04433	0.4
101.02357	0.4
107.04996	0.7
109.02866	0.6
117.07031	0.4
120.08118	0.4
121.08836	0.4
127.03887	0.6
127.12624	0.4
137.05968	0.4
140.18286	0.5
144.08118	0.7
145.04951	0.4
146.09644	0.4
151.03922	0.5
160.07562	1.1
173.08334	0.4
174.09163	1.4
184.11276	0.5
184.13646	0.4
187.09987	0.3
190.08649	0.4
198.09236	0.7
200.07024	2.1
200.10681	0.6
202.08681	0.9
202.12230	0.5
210.09187	0.6
212.07085	0.7
212.10629	2.1
214.08714	0.4
214.12328	0.7
215.09337	0.4
218.08122	1.6
219.10191	0.5
225.07782	0.5
226.08701	0.8
227.09460	0.6
228.10268	0.5
230.11742	2.0
238.08548	0.7
240.10274	1.6
242.11792	0.9
243.09000	0.6
254.08018	0.5
256.09760	0.5
258.07642	0.7
258.11240	1.7
268.09784	1.6
270.07690	1.1
270.11243	0.6
271.10794	0.7
284.09180	0.8
285.12393	1.0
286.10736	7.0
290.31921	0.4
301.11877	2.7
311.10266	0.7
312.08817	0.6
313.11850	3.6
317.13495	0.5
328.11896	0.4
329.11331	17.8
361.13773	0.8
371.12241	0.8
392.21069	0.4
430.15015	0.5
433.19061	0.5
447.18942	0.4
473.15555	2.3
491.16617	100.0
492.17075	1.6
523.19238	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	523.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06544	0.3
70.65500	0.6
70.65844	0.4
82.63425	0.3
85.02856	0.3
85.07636	0.3
92.50082	0.3
120.08099	0.3
123.09153	0.5
131.28094	0.3
151.12312	4.7
161.10733	0.3
163.03859	1.0
163.12234	1.0
171.09169	0.4
173.10687	0.4
174.11476	0.3
177.13840	1.3
183.09044	0.3
187.08623	1.0
189.13803	0.9
189.83298	0.3
201.13864	33.6
202.14594	1.9
203.15398	1.7
213.13855	0.5
229.13387	0.7
230.14148	4.1
231.18591	4.2
247.14355	0.5
257.20032	0.5
258.13626	10.2
259.18100	2.3
259.53494	0.4
261.15927	0.9
262.16992	0.4
273.08102	0.3
273.19583	2.7
285.19565	1.4
290.16257	0.9
290.91211	0.3
301.19070	5.0
315.20621	0.3
329.18591	17.3
333.21674	10.5
359.19556	1.7
361.21201	74.4
362.21500	1.0
451.51007	0.3
499.56604	0.3
523.26501	100.0
524.26788	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	523.2879
Annotation	yanuthone G
Peak:m/z	Relative Intensity
50.56156	1.0
52.75179	0.9
55.01874	1.0
55.05501	3.0
56.96566	2.0
57.03426	1.2
57.72524	0.9
67.05505	5.5
69.03410	1.2
69.07052	2.6
71.04996	1.3
71.50042	1.7
79.05495	6.0
81.03422	3.2
81.07050	4.2
83.04979	1.8
85.02896	2.2
87.04465	1.0
91.05484	2.4
93.07031	3.4
95.04971	1.9
95.08597	4.0
97.02863	1.5
97.06525	3.3
105.07029	2.9
107.04956	2.0
107.08574	2.3
109.06550	1.0
109.10173	2.4
111.04437	1.3
117.07025	1.4
119.08543	1.5
121.10104	2.5
125.09647	1.8
125.78594	1.0
131.08528	1.7
133.10156	1.1
135.11684	1.7
143.08534	1.3
145.10117	2.0
156.30818	1.2
163.03951	1.1
163.11259	1.9
164.94255	1.1
171.89944	1.0
189.11356	0.9
209.11833	1.2
245.60002	1.0
264.10062	1.3
273.10104	1.1
343.22089	1.3
361.23477	100.0
362.23785	2.9
367.18182	1.2
398.12683	1.1
403.15894	1.3
482.54169	1.1
491.27042	1.4
523.28833	90.8
524.29150	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35101	1.4
53.03924	1.5
55.01893	1.4
55.02676	1.2
55.05511	12.8
57.03431	5.7
57.07078	36.2
67.05503	22.8
67.46651	1.2
69.03432	2.1
69.07062	10.3
70.18333	5.4
71.04987	3.1
71.08250	1.8
71.08631	26.4
71.35258	1.4
79.05148	1.2
79.05499	12.9
81.02940	2.0
81.03418	32.7
81.07055	31.9
83.04992	6.8
83.08619	20.6
85.02916	14.1
85.10194	11.2
91.05487	14.0
93.07066	10.5
95.04972	14.4
95.08607	25.7
97.02873	1.8
97.06535	2.3
97.10190	7.5
99.08119	1.6
105.07041	10.4
107.04944	3.6
107.08585	5.0
109.06533	2.9
109.10168	10.7
111.08065	6.4
119.08558	10.1
121.10157	5.3
123.11713	8.1
129.07013	5.2
131.08580	5.1
133.10132	5.9
137.09590	1.8
142.07771	1.8
143.24524	1.3
147.11716	8.9
149.09618	2.5
151.14880	1.5
157.10152	7.7
175.11182	4.7
179.61320	1.4
193.12241	35.3
211.13292	36.8
237.46242	1.8
239.23769	8.2
249.14867	1.5
267.15851	9.4
313.27411	8.5
345.92795	1.5
462.04968	1.5
505.39066	5.2
523.39929	100.0
523.60144	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	24.9
57.03425	23.8
57.07077	53.2
67.05180	4.2
67.05495	33.5
69.07057	20.8
70.75950	11.3
70.76285	5.1
71.08627	46.2
75.10840	4.6
79.05510	24.9
81.03419	100.0
81.07064	44.6
81.88757	6.1
82.49296	4.9
83.04971	15.9
83.08618	33.6
85.02896	17.3
85.10160	16.6
86.09715	13.8
91.05472	30.4
93.07034	21.4
95.04952	24.6
95.08614	38.0
96.39366	4.4
97.10145	7.2
102.43784	5.5
104.10743	18.6
105.07028	19.0
107.08630	7.5
109.10107	16.1
111.08073	8.2
119.08572	18.5
121.10086	6.2
123.11649	7.9
129.07011	10.0
131.08565	9.3
133.10123	9.3
147.11668	14.8
149.09656	7.7
157.10156	13.6
175.11186	14.6
184.07307	16.0
193.12259	68.5
211.13295	24.6
239.23686	10.9
267.15918	87.5
313.27390	73.1
505.38864	55.4
523.40002	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01870	1.8
55.05513	14.2
57.03435	6.0
57.07078	38.5
58.08997	1.0
58.95609	0.9
62.68011	0.8
65.03915	1.0
67.05507	24.5
68.55198	1.0
69.03439	2.7
69.07072	11.5
71.04993	3.9
71.08249	2.0
71.08636	31.0
79.05495	14.3
81.02940	2.2
81.03420	42.8
81.07059	33.5
83.05000	7.5
83.08624	25.4
85.02914	20.8
85.10186	15.1
91.05482	14.8
93.07046	10.3
95.04969	15.5
95.08608	29.3
97.02905	1.7
97.06532	2.2
97.10186	6.6
98.21519	2.5
105.07029	13.0
107.04939	2.6
107.08616	3.7
109.06519	1.7
109.10165	13.2
111.04465	2.0
111.08112	6.5
111.11716	0.9
113.06010	2.3
119.08577	11.7
121.10155	5.8
123.08046	1.7
123.11694	6.0
125.13365	1.3
129.07010	6.2
131.08546	6.6
133.10106	5.6
137.09636	1.0
137.13272	2.2
142.07726	1.9
147.08075	1.6
147.11697	8.2
149.09637	4.3
157.10138	6.4
165.12770	2.1
175.11189	14.0
193.10475	2.2
193.12245	43.2
211.13298	49.7
229.58083	1.3
239.23741	7.5
249.15015	1.2
267.15869	4.4
285.16891	1.0
285.96271	1.0
296.42599	1.0
313.27258	4.7
505.39050	2.0
523.39978	100.0
524.40338	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	17.4
57.03431	17.6
57.07069	50.7
58.07311	4.9
62.78706	4.5
67.05508	43.8
67.16332	4.7
69.07062	18.1
70.76241	11.8
71.04983	6.0
71.08623	43.4
77.50287	4.3
79.05489	22.7
81.03418	100.0
81.07053	50.5
81.67198	5.5
83.04969	7.8
83.08617	34.0
85.02891	12.5
85.10186	22.4
91.05476	20.5
93.07048	16.1
93.61906	4.6
95.04971	26.4
95.08596	31.2
97.10165	10.4
105.07037	16.0
107.08598	9.8
109.10155	19.4
111.08082	10.5
119.08584	14.7
123.11708	8.0
129.06993	12.3
131.08517	15.1
136.11983	5.3
147.11708	9.7
149.09586	5.7
150.32584	4.8
175.11249	5.8
193.12222	77.2
211.13277	34.3
239.23575	11.0
260.89447	5.0
267.15918	94.1
281.11240	5.0
313.27374	89.0
505.38931	48.8
516.57037	5.2
523.39948	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.05513	12.5
57.03439	3.8
57.07077	37.3
67.05502	25.3
69.07053	11.3
69.92978	6.4
71.04977	2.7
71.08635	24.3
73.56839	1.5
79.05497	11.6
81.03419	31.1
81.07056	28.4
82.87310	1.7
83.04984	7.0
83.08625	23.9
85.02906	14.6
85.06514	2.2
85.10173	16.7
91.05472	16.0
93.07053	11.2
95.04971	13.8
95.08618	26.4
97.02927	2.1
97.06544	2.4
97.10167	6.6
104.10750	2.6
105.07037	15.6
107.04961	3.5
107.08609	3.8
108.87585	1.4
109.06510	4.1
109.10162	12.2
111.08088	7.3
111.11721	2.1
112.09126	1.6
113.05962	1.9
119.08580	10.2
121.06459	1.6
121.10151	6.0
123.08021	1.6
123.11707	4.8
125.13251	1.7
129.07036	3.7
131.08562	4.0
133.06517	2.1
133.10100	9.4
137.13322	1.9
142.07776	2.3
145.10136	2.4
147.11710	11.5
149.09644	4.2
150.30896	1.6
157.10164	9.5
163.11273	2.6
165.12891	1.8
171.49843	1.4
175.11203	8.6
184.07373	7.5
193.10490	2.4
193.12254	46.2
200.16716	1.8
204.26624	1.6
208.70404	1.8
211.13289	47.7
239.23784	7.2
249.14919	2.0
267.15906	16.2
313.27332	12.1
343.73721	1.8
398.83792	1.8
505.39041	10.8
523.40021	100.0
524.40869	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11231	1.2
52.05663	1.0
53.03934	1.7
55.05512	14.5
57.03437	7.1
57.07072	38.4
57.86888	0.9
62.01690	1.0
67.05502	28.5
69.03427	1.8
69.07065	11.6
69.95635	4.9
71.04985	4.2
71.08630	28.8
79.05495	14.6
80.01382	1.0
81.03416	40.2
81.03887	2.4
81.07052	35.7
83.04970	6.6
83.08616	26.1
83.86459	1.0
84.60500	1.0
85.02898	16.4
85.06545	1.1
85.10185	12.5
91.05474	18.8
93.07036	10.1
95.04969	15.9
95.08608	28.5
97.02909	1.9
97.06499	2.5
97.10162	9.0
98.21479	1.5
105.07039	14.4
107.04935	3.3
107.08609	4.1
109.06522	2.4
109.10149	13.1
111.08096	7.5
113.05987	2.0
115.30457	1.1
117.07064	1.1
119.08581	10.5
121.06514	1.4
121.10107	6.4
123.08061	2.0
123.11700	6.6
125.09721	1.1
129.06990	5.0
131.08539	5.9
133.10135	5.7
137.09680	1.6
137.13226	2.7
147.08026	1.7
147.11679	7.9
149.09647	3.5
152.61841	1.0
157.10115	7.7
165.12796	2.2
173.09721	1.2
175.11183	8.0
193.12233	42.9
203.13696	1.2
203.86780	1.2
211.13293	38.1
239.23703	5.7
267.15897	5.9
313.27344	8.0
343.26730	1.2
505.38510	2.5
523.39911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.2
61.02903	0.3
66.07082	0.2
69.03423	0.8
70.13113	0.6
72.04458	0.2
76.03107	0.2
79.05479	0.7
81.03397	0.4
85.02896	1.4
93.06991	0.3
95.04955	0.3
97.02888	0.6
97.06539	0.3
99.04453	0.3
109.02888	0.6
109.06497	0.3
122.03609	0.9
125.01550	2.7
128.48853	0.2
129.00957	0.3
137.05981	0.4
138.99451	13.8
155.07022	1.4
165.05466	49.0
166.05809	0.5
167.08485	0.5
178.07796	0.4
187.03078	0.3
195.08099	1.1
199.03166	0.4
204.39549	0.2
212.03914	0.3
215.02509	1.7
223.07489	1.9
227.02594	0.8
228.03238	0.4
229.04158	0.5
235.07576	0.5
238.09885	2.3
241.04124	0.7
242.04910	4.9
243.02119	2.4
243.05678	0.6
251.06909	0.3
257.03607	1.1
258.04419	5.0
266.09390	0.7
270.04401	0.7
273.06735	7.4
285.02554	0.2
286.03873	1.0
301.06232	100.0
302.06537	1.5
362.11502	29.8
363.11719	0.5
408.44476	0.3
533.05280	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	524.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.05516	0.2
57.03421	0.5
57.88109	0.2
58.24739	0.2
58.35455	0.2
61.02906	0.3
64.05038	0.2
66.22712	0.2
67.05493	0.5
69.03415	1.1
69.07050	0.3
70.06573	0.4
70.56100	0.4
70.56433	0.4
71.04972	0.3
76.37480	0.2
79.05483	0.9
81.03405	0.7
81.07045	0.9
84.04503	0.4
84.08103	0.3
85.02914	2.3
91.05460	0.3
93.07020	0.6
95.04954	0.6
95.08597	0.4
97.02898	0.7
97.06503	1.0
105.07005	0.8
107.04955	0.3
107.08586	0.4
108.95768	0.2
109.02866	0.6
109.06549	0.6
109.10171	0.5
109.32839	0.2
113.43640	0.2
120.08147	0.3
121.06586	0.3
122.03625	1.0
125.01536	3.1
127.03890	0.3
129.01007	0.4
131.97295	0.2
135.08014	0.3
137.06000	0.4
138.99461	13.7
139.90247	0.2
152.06155	0.3
155.07066	1.5
165.05476	49.9
165.09093	1.8
166.05846	0.5
167.08476	0.3
195.08061	1.8
201.04663	0.3
213.04642	0.3
215.02534	1.2
223.07562	2.4
224.68985	0.2
227.02563	0.8
228.03397	0.3
229.04175	0.8
235.07474	0.7
238.09875	2.6
241.04271	0.5
242.04924	5.8
243.02104	1.9
257.03635	1.2
258.04459	6.0
266.09396	0.8
270.04385	1.1
273.06766	7.2
276.88678	0.2
286.03888	0.8
301.06253	100.0
302.06586	1.4
319.31635	0.2
344.10352	0.4
362.11536	31.8
363.11844	0.6
455.27127	0.2
506.32532	0.4
524.19733	0.3
524.30847	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	524.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
56.05023	1.0
57.03438	0.9
57.07076	5.8
58.06348	0.4
58.06601	1.6
59.07372	0.6
60.08163	13.9
67.05496	2.1
68.26691	0.5
69.07052	1.3
71.07367	6.0
71.08620	2.8
71.34248	0.6
72.08157	0.5
76.57774	0.4
79.05489	0.6
81.03424	2.4
81.07050	2.1
83.08611	1.3
85.02901	0.3
85.10196	1.8
85.73215	0.4
86.09705	53.5
91.05463	0.5
93.07039	0.8
94.36201	0.4
95.04966	0.8
95.08610	2.1
97.10175	1.2
98.98472	4.0
104.10739	100.0
107.05027	0.4
109.10146	1.5
113.09649	0.6
119.08560	0.7
123.11744	0.5
125.00002	27.0
127.11182	1.0
130.37222	0.4
156.13872	0.4
163.01500	0.9
166.02728	0.4
170.15367	3.2
176.57251	0.3
184.07336	97.0
184.16978	4.2
193.12204	0.9
194.12563	1.0
211.13339	0.7
212.13721	0.4
257.07590	0.4
258.11014	1.1
267.15872	0.9
268.16275	0.6
310.31149	0.4
313.27515	0.7
314.27606	0.9
324.32541	0.4
341.30493	1.4
341.34729	0.5
353.51944	0.4
368.51337	0.4
390.56503	0.4
398.62213	0.4
414.82306	0.3
506.35938	7.8
524.37030	31.4
524.51306	7.4
525.36511	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	525.2306
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
56.98085	0.4
59.94172	0.4
60.21216	0.5
69.80180	1.9
70.06579	0.9
85.02931	0.6
86.09672	0.5
86.54868	0.5
95.08599	0.4
97.02853	0.4
99.51935	0.5
121.02914	0.6
270.12625	0.5
275.07199	0.6
283.32333	0.4
299.10141	0.5
335.09500	1.8
350.37488	0.4
393.18811	6.2
489.71002	0.5
496.72137	0.4
525.23090	100.0
526.23474	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	525.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01863	0.3
55.05510	0.4
56.96578	0.4
57.03426	0.8
58.44636	0.2
58.79228	0.3
67.05499	1.1
69.03416	0.8
69.07050	0.8
70.37395	0.2
71.20063	0.6
79.05487	1.0
81.03415	1.2
81.07067	1.9
83.04974	0.8
83.08617	0.4
85.02897	0.9
91.05480	1.0
93.07053	0.8
95.04973	0.6
95.08609	0.8
97.02870	0.6
97.06538	0.9
98.05959	0.3
99.04442	0.4
99.08098	0.5
105.07030	0.9
106.36888	0.3
107.04967	0.3
107.08577	0.7
109.02893	0.3
109.06550	0.3
109.10188	0.7
111.04383	0.4
111.08040	0.3
117.07050	0.3
119.08598	0.6
121.10157	0.5
123.08028	0.5
125.09689	0.3
127.03939	0.5
131.08595	0.6
133.10150	0.3
135.08054	0.3
135.11696	0.6
137.05882	0.3
145.10156	0.4
155.03157	0.5
161.13187	0.3
163.11192	1.0
173.04332	0.4
191.10774	0.3
203.05708	0.4
203.21486	0.3
209.11771	1.1
218.07016	0.3
227.12798	1.0
255.21791	0.3
267.09003	1.6
269.12448	0.4
275.07425	0.5
283.15399	1.7
285.10062	3.0
293.09732	0.4
299.11606	1.5
300.12097	0.3
301.14713	0.4
311.15005	0.4
317.08401	0.7
317.12759	1.8
333.07858	0.5
335.09509	3.1
393.18820	9.8
525.23077	100.0
526.23511	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	525.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62234	0.2
51.92714	0.2
55.05508	0.4
57.03424	0.2
60.69475	0.1
62.13440	0.2
67.05486	0.4
69.03442	0.3
69.07069	0.3
70.06573	0.3
71.05005	0.2
71.49626	0.2
72.08161	0.4
77.89096	0.2
79.05525	0.4
81.03420	0.2
81.07065	0.6
83.04945	0.2
83.08612	0.3
85.02921	0.2
86.09708	0.5
91.05463	0.4
93.07056	0.4
93.45010	0.2
95.08615	0.5
97.02896	0.2
97.06524	0.8
105.07049	0.5
107.04951	0.2
107.08577	0.5
109.10167	0.4
111.04408	0.2
119.08573	0.4
120.08112	0.3
121.06474	0.2
121.10140	0.3
123.08052	0.2
123.11725	0.2
125.05995	0.3
127.44170	0.2
127.71705	0.2
131.08606	0.3
133.10095	0.4
135.08087	0.2
137.05984	0.4
137.92303	0.2
143.08511	0.3
145.10147	0.3
149.09601	0.2
151.11018	0.2
154.02299	0.2
155.03148	0.2
155.10710	0.2
169.04724	0.2
171.02722	0.2
173.13210	0.3
203.05333	0.3
209.37398	0.2
248.58411	0.2
267.09457	0.2
275.07449	0.4
293.10022	0.2
317.08438	0.9
333.07935	0.6
335.09512	3.2
393.18832	12.1
394.19659	0.2
495.18286	0.2
525.23096	100.0
526.23553	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	525.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09392	1.3
55.05503	14.1
56.44758	1.4
57.03430	2.0
57.07074	54.9
65.03935	2.7
67.05504	88.4
69.03436	2.6
69.07066	17.9
71.04990	73.8
71.08631	35.2
71.24046	3.1
79.05496	20.6
81.03388	1.9
81.07055	42.8
83.04980	10.9
83.08613	18.5
85.06539	6.7
85.10182	17.5
91.05479	23.5
93.07047	26.0
93.07594	2.9
93.90579	1.5
95.04960	4.4
95.08606	46.4
97.06521	7.3
97.10175	7.5
99.08071	2.3
105.06995	2.3
107.08591	10.2
109.10152	68.4
117.07030	4.1
119.08580	18.3
121.10146	5.3
123.11714	5.5
135.11682	19.4
137.09604	31.2
137.13258	2.9
145.10120	4.0
151.14812	1.9
155.10678	4.9
163.11194	5.9
169.12244	8.7
173.11734	3.3
181.12190	10.0
213.15016	2.0
227.97035	1.5
239.23674	10.5
269.17438	3.8
271.15503	5.2
313.27554	3.7
339.29114	2.6
341.26926	4.0
387.99310	1.6
481.38824	37.5
525.41498	100.0
526.41827	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	526.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42495	2.6
55.05515	2.9
57.06808	4.4
57.07074	67.8
57.79934	2.3
67.05489	7.6
69.07069	11.4
69.35221	3.2
69.35630	19.7
71.08256	3.2
71.08631	58.1
73.06541	6.0
81.03400	3.1
81.07036	4.1
83.08621	6.0
83.69634	2.5
85.02937	2.6
85.10184	35.8
85.54937	2.2
86.09689	5.5
87.04457	3.3
89.06029	100.0
90.97659	2.2
97.10177	7.0
97.53257	2.1
99.08086	4.1
99.11725	4.7
100.94501	2.3
105.07035	3.2
107.07066	3.7
109.10155	3.7
111.11713	5.5
113.09609	4.7
113.13291	6.8
117.09164	4.5
119.08575	2.5
121.10076	3.1
125.13269	4.4
127.14807	3.9
130.08598	4.7
133.08607	67.4
156.13860	18.3
158.69673	2.3
170.15340	14.7
172.13327	7.3
177.11226	28.9
184.16924	7.4
221.13835	3.7
239.14867	5.4
271.26321	2.8
283.17502	4.4
309.45990	2.9
315.28839	3.2
327.20203	20.0
347.20001	2.4
421.35583	2.8
509.40634	19.9
526.42047	4.3
526.49390	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	526.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.05499	1.6
57.07076	5.3
58.06599	3.8
67.05489	1.3
69.07051	1.3
70.06596	0.9
72.08153	4.5
79.05488	0.6
81.07035	1.3
83.08592	1.0
85.10186	11.3
86.09715	2.0
89.06034	0.6
91.05473	0.8
93.07051	0.9
95.08601	1.9
97.10141	0.5
98.06047	1.0
98.21620	1.0
109.10135	1.1
111.04420	0.5
113.09644	24.0
119.08561	0.5
127.11211	2.7
142.12221	0.9
170.15401	93.8
171.15730	0.8
184.16963	9.9
199.31638	0.4
201.19652	0.5
249.98523	0.5
274.02911	0.4
308.29312	0.7
318.60229	0.4
326.30444	3.8
357.34711	2.7
397.37906	1.3
452.28528	0.4
526.49432	100.0
527.31311	0.7
527.38153	0.9
527.49548	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	526.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93100	0.8
55.05498	2.9
56.75049	0.9
57.07069	4.7
58.06590	3.0
63.25849	0.9
64.47334	0.8
67.05495	3.1
69.07068	0.9
71.08624	5.5
71.50180	1.6
72.08152	2.4
79.05479	1.1
81.07048	2.8
84.08162	1.4
85.10189	6.9
86.09709	9.1
89.06013	0.9
91.05478	1.4
92.12806	0.8
95.08578	1.7
97.10175	0.9
99.08090	8.2
105.06996	0.9
109.10184	2.1
113.09653	13.5
127.11250	1.5
128.10724	0.9
142.12137	1.0
153.06958	0.9
156.12547	1.8
156.13837	42.7
170.15399	53.1
176.53844	0.9
184.16982	9.9
210.17093	1.0
295.37500	0.8
326.30563	2.7
340.32184	2.0
357.34781	1.7
371.36343	1.2
496.48413	1.6
526.49408	100.0
527.37262	1.3
527.49353	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	527.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65796	0.5
55.05477	0.5
56.96563	0.7
57.03436	0.5
58.21149	0.5
60.23864	0.4
61.02908	0.8
67.05482	0.6
69.03431	1.0
69.65989	2.3
69.66396	0.9
70.06589	1.7
71.04956	0.5
72.34592	0.4
73.02928	0.5
74.37392	0.5
81.03431	1.0
84.04491	0.6
84.08138	0.8
85.02906	3.5
86.09704	1.3
91.03952	0.8
91.05476	0.7
93.07007	0.6
96.95113	0.4
97.02889	1.4
97.98143	0.5
98.02467	0.5
98.21470	0.9
98.97621	0.6
107.04950	0.7
109.02924	0.5
116.98605	1.4
125.30327	0.4
127.03908	0.6
130.23225	0.4
131.08549	0.6
136.07588	0.4
145.04951	0.7
149.09598	0.9
163.03876	1.0
167.07036	1.1
185.04247	3.0
203.03172	5.6
207.08829	0.5
221.03036	3.0
237.02898	0.8
239.04100	0.9
263.04111	0.8
302.19629	0.5
321.21088	0.8
344.01495	0.5
347.06482	0.8
347.12375	0.6
347.22562	0.8
365.08438	36.8
383.08157	0.7
509.27747	1.1
527.13690	100.0
528.14044	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	527.1586
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
52.92382	0.3
56.96553	0.5
68.49987	0.3
69.03413	0.8
71.48611	0.6
85.02877	1.3
97.02940	0.6
98.97570	0.4
107.28703	0.3
113.42137	0.3
119.01925	0.6
127.03893	0.7
131.01851	0.5
143.01978	0.5
145.04951	0.6
155.01877	0.8
155.03029	0.4
161.02985	0.4
170.17700	0.4
173.02948	1.7
174.14774	0.4
177.00667	0.8
185.02928	0.7
185.04251	3.4
201.00723	0.5
203.03613	0.4
203.05312	6.7
219.01741	0.5
222.03166	0.3
237.02840	0.6
245.05016	1.8
255.03935	0.6
263.06250	0.5
274.08197	0.6
275.07428	0.7
279.03998	0.5
305.07883	1.5
347.09549	6.1
365.10617	79.0
366.11090	0.8
383.08514	0.4
407.10574	0.7
527.15857	100.0
528.16077	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	527.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56381	0.5
56.96535	0.9
59.18755	0.5
63.82443	0.5
65.27461	0.6
70.56002	1.6
84.95988	0.9
92.21574	0.5
97.02827	0.7
98.97589	5.6
104.79272	0.5
110.97495	1.4
116.98622	2.9
128.98553	1.8
129.40286	0.5
131.00121	1.0
133.03416	1.0
134.99571	1.6
143.00093	0.8
146.99571	1.4
149.02834	0.8
155.01843	1.3
158.99611	1.1
161.01192	1.3
161.02893	1.2
170.99614	0.9
173.01375	0.7
173.02940	2.7
177.00624	1.5
177.05902	0.5
185.01231	0.6
185.02760	0.5
185.04233	2.8
189.00694	0.9
193.46284	0.6
201.00725	0.6
203.05278	6.8
219.01738	5.2
219.07080	1.0
221.05078	0.8
231.07155	0.7
236.18430	0.5
237.02832	11.0
245.05067	2.3
250.81314	0.5
255.03827	1.4
261.02814	1.3
277.13962	0.5
279.03806	2.8
305.07834	1.5
321.10294	4.0
335.06540	4.5
347.09500	3.2
353.07635	2.2
362.04416	0.7
364.07877	0.6
365.10553	81.1
423.08234	0.7
453.05426	1.0
461.02606	0.6
500.04593	0.6
509.08386	1.6
527.15857	100.0
528.16016	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	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
55.05501	0.6
57.03428	0.4
63.46519	0.3
67.05488	1.0
69.03455	0.5
69.07067	0.5
70.06587	0.5
70.17904	1.2
72.03642	0.3
79.05494	0.6
79.83163	0.3
81.03397	0.5
81.07053	1.3
83.08607	0.5
85.02895	0.4
86.09698	0.4
89.05971	0.3
91.05507	0.7
93.07051	0.5
95.04980	0.6
95.08634	0.4
95.53132	0.4
97.02895	0.4
97.06527	1.7
98.20804	0.3
107.04926	0.5
107.08589	0.5
109.10162	0.7
110.95430	0.3
111.04403	0.4
135.11734	0.4
157.10133	0.4
163.03917	0.3
165.09135	0.5
167.07076	0.4
185.04315	0.5
201.62529	0.3
212.75648	0.4
215.07072	0.7
227.05305	0.8
245.06342	0.4
251.15038	0.6
259.09680	1.2
261.18240	0.4
271.04404	0.6
279.19449	3.1
321.19193	0.4
360.18518	0.3
395.20215	1.9
420.02493	0.4
423.23474	2.1
430.75583	0.3
441.24542	7.0
441.30286	0.5
465.24588	4.4
483.25638	15.6
509.23593	21.9
527.24634	100.0
528.24768	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	527.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01864	0.3
55.05505	0.6
56.96577	0.2
57.01981	0.2
57.03425	0.3
57.07059	0.2
61.02918	0.3
67.05499	1.2
69.03419	0.5
69.07067	0.9
70.06568	0.4
71.04980	0.4
71.49357	0.2
79.05488	1.2
81.03409	0.4
81.07050	1.7
83.04974	0.3
83.08621	0.3
84.08130	0.4
85.02900	0.6
85.06567	0.2
86.09705	0.4
87.04491	0.2
90.48835	0.2
91.03963	0.2
91.05470	0.8
93.07047	1.0
95.04963	0.5
95.08602	0.8
97.02870	0.3
97.06528	2.3
98.06848	0.2
100.11232	0.2
105.07008	0.6
107.04929	0.6
107.08607	0.8
109.02851	0.2
109.06493	0.5
109.10159	1.0
111.04426	0.3
117.07019	0.3
119.08557	0.5
121.06487	0.3
121.10110	0.5
123.08056	0.3
123.11666	0.2
125.29536	0.2
127.03909	0.3
131.08514	0.3
133.10121	0.3
135.04430	0.3
135.07956	0.2
135.11659	0.3
137.05951	0.4
139.03932	0.3
140.83354	0.2
145.02919	0.2
145.10106	0.4
147.07974	0.2
147.11694	0.2
149.09654	0.2
149.13278	0.2
151.11165	0.2
157.10143	0.2
157.13063	0.1
159.07962	0.1
159.11662	0.3
161.09665	0.2
163.03906	0.7
163.11212	0.3
165.05490	0.4
165.09135	0.9
166.09543	0.2
167.03128	0.2
167.07016	0.4
170.15404	0.2
173.02341	0.5
173.09641	0.2
175.11171	0.2
185.04288	0.6
197.08157	0.2
199.14746	0.2
201.03741	0.2
215.07085	0.8
215.10764	0.2
227.05228	0.9
227.12799	0.2
227.14944	0.3
233.11761	0.3
234.12148	0.4
237.02728	0.2
241.08833	0.2
245.06371	0.2
251.14975	0.4
259.09674	1.4
260.10013	0.2
261.18173	1.0
263.11041	0.2
271.04193	0.4
273.18335	0.2
279.19363	3.3
289.05261	0.2
291.19650	0.3
307.18771	0.3
314.27997	0.2
321.19620	0.4
337.20135	0.2
347.22070	0.2
365.23169	0.5
381.81430	0.2
395.20374	1.4
405.22391	0.3
423.23660	1.8
433.27850	0.2
441.24518	6.8
447.23602	0.2
465.24579	4.4
483.25595	14.9
495.29413	0.2
509.23581	18.4
527.24591	100.0
528.24939	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	527.2852
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
53.03939	5.2
55.01880	14.5
55.05512	47.7
56.19284	2.2
56.96563	5.7
57.03439	20.9
57.07061	2.0
59.04988	5.6
61.02926	8.5
65.03931	4.5
67.05507	100.0
69.03429	14.4
69.07068	24.0
71.01351	2.9
71.04993	9.8
71.49616	1.9
73.02914	6.7
74.91358	1.8
79.05496	41.2
81.03416	35.7
81.07054	52.9
83.01345	5.1
83.04978	18.6
83.08150	3.1
83.08613	24.4
85.02900	26.6
85.06541	3.6
87.04432	2.7
91.03951	4.1
91.05486	43.4
93.07047	38.0
93.07642	2.1
95.04966	20.0
95.08604	21.7
97.02885	17.6
97.06530	14.7
97.10175	21.8
99.04440	6.0
99.08092	2.8
101.02361	3.2
103.03950	2.1
103.05470	3.4
105.07042	27.5
107.04958	10.3
107.07903	2.5
107.08594	29.9
109.02867	7.4
109.06522	7.8
109.10157	62.3
111.04445	7.2
111.08088	8.7
113.05984	2.2
117.07008	7.4
119.08585	24.5
121.06528	4.4
121.10165	13.5
123.08076	5.2
123.11699	3.3
125.09643	27.0
127.03914	7.2
129.05457	7.0
129.07008	7.5
130.07800	2.1
131.08580	13.8
133.06453	2.6
133.10123	22.3
135.08067	5.1
135.11690	11.5
137.09630	5.9
143.08606	3.4
143.10625	2.6
145.10143	13.9
147.08052	6.1
147.11679	5.6
149.09615	5.7
151.07573	2.1
151.11212	10.4
153.09103	2.1
153.12704	2.6
155.08568	4.2
157.10121	5.3
161.09610	4.0
163.11209	16.6
165.09137	2.7
169.12282	4.2
173.09586	2.2
173.11758	19.0
175.11209	3.8
179.10675	1.9
181.12259	3.4
181.53407	1.7
189.05701	1.8
189.11224	6.4
191.10732	4.7
193.12210	12.6
195.11560	2.1
197.11775	1.8
199.06442	2.3
209.11708	9.0
211.13298	14.2
215.12773	3.9
223.13321	7.8
227.12762	9.4
229.07428	2.3
229.14357	16.8
247.08412	2.9
249.14827	3.1
253.14340	3.9
255.08986	2.5
267.15915	5.7
273.18491	10.3
283.08630	3.4
283.15375	14.6
291.19528	47.4
299.14822	2.0
313.16290	2.1
328.13687	2.0
347.22351	2.9
365.23315	11.9
367.17862	2.5
374.14554	1.9
383.24161	6.4
509.27353	6.5
527.19598	3.6
527.28094	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	527.2834
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
53.03938	0.7
55.01869	1.7
55.05320	0.5
55.05513	4.9
56.96562	1.1
57.03429	2.3
57.07071	0.5
59.04996	1.1
61.02914	0.7
65.03948	0.7
67.05505	11.1
69.03421	1.6
69.07053	3.1
69.94113	1.8
70.06589	0.7
71.04986	1.6
73.02915	1.0
76.96615	0.5
77.36974	0.5
79.05492	5.6
81.03423	4.1
81.07057	6.6
83.04980	3.0
83.08615	2.2
85.02893	1.7
85.06546	0.8
91.05480	4.1
93.07047	5.6
95.04978	2.2
95.08621	4.0
97.02880	1.1
97.06543	2.9
97.10182	3.6
97.10712	0.5
103.43916	0.5
105.07043	3.2
107.04953	1.8
107.08617	3.7
109.06524	1.3
109.10158	7.7
111.04456	1.2
111.08117	1.0
117.06982	0.7
119.08627	2.9
121.06507	0.7
121.10151	2.2
123.08073	1.4
125.09624	2.5
129.06990	1.3
131.08545	1.6
133.10155	1.9
135.08086	0.8
135.11691	1.5
137.09612	0.8
145.10114	2.0
147.11665	1.0
149.09625	2.2
155.08557	0.8
155.10580	0.5
157.10115	0.7
163.03862	0.6
163.11168	1.7
173.11726	2.7
181.12228	1.2
189.11241	1.1
191.10684	1.0
193.12267	1.3
209.11766	1.4
211.09419	2.5
211.13341	1.1
227.12796	0.8
229.14342	2.4
245.13890	1.0
253.12447	0.6
267.11932	1.2
267.16086	0.7
269.12460	0.6
273.10233	0.7
279.94000	0.6
283.15189	7.4
325.14352	0.8
339.17746	8.0
383.24326	0.6
437.25571	0.7
477.24554	8.6
509.27567	1.4
527.28259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.7
53.03934	4.1
55.01859	5.5
55.05289	2.1
55.05514	23.8
56.96547	1.8
57.03440	9.8
57.07070	1.5
59.05004	2.3
61.02925	22.6
65.03925	2.9
65.39873	1.5
67.05507	39.5
69.03433	10.3
69.07063	14.7
69.54104	11.1
70.06577	2.3
71.04983	5.8
73.02902	5.4
79.05492	36.8
81.03416	7.2
81.06612	2.5
81.07061	41.6
83.04980	7.9
83.08617	10.0
84.08151	1.6
85.02903	20.8
85.06525	3.0
91.03969	8.2
91.05478	49.8
93.07043	38.0
94.60735	1.7
95.04971	14.0
95.08609	26.7
97.02896	15.8
97.06529	22.9
97.10154	7.8
98.97568	1.9
99.08072	2.1
103.05455	3.9
105.04459	2.0
105.07025	41.9
107.04974	10.6
107.08587	17.5
109.02867	2.5
109.06517	14.6
109.10152	19.0
111.04411	2.0
111.08076	6.0
115.05457	4.0
116.06255	2.5
117.07009	26.0
119.08588	26.1
121.06512	7.8
121.10133	13.0
121.61298	1.5
123.08044	8.6
125.06016	2.2
125.09599	6.0
127.03872	4.3
128.06227	9.7
129.07013	20.2
130.07813	8.8
131.07628	3.1
131.08563	47.7
133.06532	8.2
133.10143	18.8
135.04449	2.8
135.08066	6.5
135.11682	7.4
137.05951	6.7
137.09653	3.0
139.11180	3.8
141.07016	8.5
142.07762	4.6
143.08560	59.7
145.04967	2.0
145.06499	3.2
145.10126	51.1
147.04443	1.9
147.08041	10.3
147.11693	8.9
149.05936	1.9
149.09581	5.5
149.13258	2.7
151.07549	2.9
151.11198	2.2
153.01822	1.8
153.06967	1.8
153.75876	1.8
155.05969	1.7
155.08534	7.4
157.10127	18.6
159.08154	3.9
159.11671	18.2
161.09595	13.4
161.13266	2.0
163.03902	6.6
163.07550	1.8
163.11218	7.8
165.05525	2.5
165.06938	2.6
165.09138	4.4
167.07056	1.8
167.08545	3.7
169.10094	10.0
171.07971	1.7
171.11681	13.2
173.09587	3.2
173.11768	3.3
173.13216	2.7
175.11171	7.4
177.12680	8.4
179.10680	1.6
181.10167	11.2
181.11612	1.8
183.11732	8.2
185.09526	2.0
185.13214	6.2
187.11122	2.1
189.12787	2.1
191.10617	3.5
193.10381	1.6
193.12215	3.6
195.11667	13.3
197.08121	3.0
197.13329	2.6
197.57916	1.7
199.11200	3.0
199.14789	2.0
201.12753	2.4
209.11638	4.5
211.15005	1.9
212.20863	1.6
213.12749	2.3
215.10829	2.3
215.12802	2.6
224.72951	2.3
227.12810	3.3
227.17967	5.2
229.12245	2.3
229.14319	3.9
230.12437	1.7
233.11719	6.2
234.12094	7.9
237.16379	18.9
245.19162	4.4
255.17474	20.4
259.09607	3.9
263.05844	2.5
267.14288	1.7
273.18478	48.2
283.15488	1.9
291.19507	4.6
347.22165	100.0
348.22513	2.1
365.22986	6.8
509.11661	1.9
527.18915	3.7
527.28259	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	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00715	2.4
52.29231	2.4
53.03942	6.6
54.48705	2.4
55.01863	9.9
55.05251	2.7
55.05509	40.7
57.03432	13.3
57.07077	3.2
61.02922	30.3
65.03922	4.9
67.05504	69.6
69.03416	14.7
69.07072	31.1
71.04982	8.5
73.02904	10.5
79.05495	57.7
81.03430	14.6
81.06606	4.4
81.07053	61.5
83.04976	9.7
83.08610	22.8
85.02897	35.0
85.06535	5.3
89.03909	4.7
91.03967	15.3
91.05473	72.0
93.06499	4.0
93.07045	45.9
95.04960	16.0
95.08611	36.1
97.02888	23.1
97.06525	43.9
97.10191	13.0
98.21564	4.9
99.08118	3.5
100.13567	2.4
103.05434	4.4
105.07023	62.1
107.04954	15.1
107.08592	29.9
109.02867	6.0
109.06523	17.8
109.10154	35.8
111.04444	3.0
111.08064	9.1
115.05430	8.7
116.06242	3.7
117.07011	42.0
119.08571	36.0
121.06483	9.8
121.10133	22.4
123.08050	17.6
123.11712	3.8
125.05956	2.9
125.09606	13.7
127.03901	5.0
128.06218	22.8
128.87184	2.4
129.07007	29.4
130.07782	6.8
131.08566	77.6
131.09558	4.7
133.06476	11.6
133.10121	27.7
133.22336	2.7
135.04424	11.8
135.08063	5.9
135.11678	9.6
137.05968	5.1
137.09595	6.3
139.03882	4.2
139.11127	3.2
141.06995	12.6
142.07751	6.8
143.07393	5.4
143.08540	93.6
145.02852	4.0
145.06447	6.6
145.10115	85.0
146.99559	3.3
147.08041	14.8
147.11667	10.2
149.09592	8.7
149.13275	3.6
151.07518	2.7
151.11267	3.3
153.07036	2.7
154.07739	2.9
155.08542	8.8
157.10095	29.2
159.08040	5.3
159.10381	3.8
159.11696	18.4
161.09570	17.3
161.13290	3.8
163.03889	39.7
163.11218	11.6
165.05505	8.6
166.07686	3.6
167.07111	6.2
167.08546	7.2
169.10106	25.7
171.11694	21.8
173.09613	6.8
173.11743	5.9
173.13103	3.8
175.07683	3.9
175.11174	11.9
177.05424	3.7
177.09111	3.2
177.12723	9.8
181.10091	12.0
181.12358	2.8
182.10921	3.0
183.11702	12.4
185.09604	4.2
185.13235	9.1
187.11101	5.3
189.12714	5.5
191.10605	3.6
193.12250	4.1
195.11697	27.2
197.13155	3.4
203.12729	3.0
209.11641	6.2
213.12769	6.0
227.12706	5.3
227.17859	8.3
229.14403	12.3
231.53548	3.1
231.97482	2.6
233.11758	9.5
234.12099	8.1
237.16376	37.4
245.19063	6.8
255.17453	37.4
259.09741	23.7
260.10107	3.7
273.18481	82.7
281.04095	2.8
281.06998	3.7
283.15381	4.6
303.06177	3.0
304.06342	5.0
308.05719	3.1
329.20990	3.4
330.17712	4.3
347.22153	100.0
365.23111	8.2
429.12231	2.6
447.13348	5.0
457.91711	2.7
527.19257	8.0
527.28101	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	528.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90463	0.6
54.34607	0.6
55.05495	1.5
56.01395	52.7
56.05024	0.9
56.52934	0.6
57.07097	0.7
58.02960	0.5
65.04218	0.6
67.05487	2.5
68.99535	1.5
70.20501	2.2
70.20879	1.2
75.04478	5.0
79.05478	1.1
79.10489	0.7
81.01522	0.9
81.03407	1.2
81.07035	1.6
86.02437	0.8
88.03986	0.8
89.03913	0.8
90.03436	0.8
91.05489	1.3
93.07040	1.6
95.04938	1.7
95.08605	0.9
96.04483	1.2
102.04682	0.9
102.05489	0.7
104.04996	7.4
105.07021	1.0
105.41201	0.7
106.02927	1.4
109.10136	1.6
115.05458	2.1
116.06225	1.1
121.10133	1.1
122.24447	0.7
122.99977	1.9
125.01507	1.1
126.04642	0.8
127.04173	4.8
128.06248	3.0
132.04424	5.3
133.10133	0.6
134.02373	12.8
137.01512	2.3
139.03065	0.7
142.06509	1.3
143.07271	1.1
144.04449	0.7
144.10223	0.7
149.01514	4.9
150.01048	10.7
150.05504	2.0
150.27638	0.7
152.00240	2.2
154.03993	0.9
155.06038	4.3
156.13844	1.5
160.05034	1.9
162.01051	25.5
163.03090	1.3
164.00209	0.9
164.02606	3.2
166.00514	0.7
167.02612	5.5
168.02113	82.4
172.13289	2.4
175.00558	0.8
175.02351	1.3
176.00166	1.1
176.02673	1.6
177.03427	3.0
179.02596	4.7
180.02075	7.2
189.02126	12.4
190.00540	34.4
190.04700	5.8
191.03688	2.2
192.02061	0.8
194.03627	0.9
195.02060	7.3
196.01605	8.9
199.05130	0.9
203.01878	100.0
204.00742	3.4
204.02487	0.9
206.03729	1.4
207.02083	2.2
208.01579	6.3
214.02666	1.2
214.07396	4.1
215.04243	2.5
216.99719	0.6
217.01620	19.5
217.99942	1.9
218.04234	56.2
219.03131	7.5
221.04800	1.3
223.01546	16.1
225.03033	0.8
230.00504	0.7
230.99551	1.7
235.02667	3.9
249.04260	36.2
263.02234	4.9
265.03799	2.3
267.05289	1.0
291.05927	1.0
293.03214	9.7
325.05936	0.9
422.04950	0.8
484.08249	1.0
496.05002	2.1
527.37036	2.6
528.37732	1.8
528.47339	3.0
534.15161	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	528.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.4
55.05502	2.8
56.00944	1.5
56.05031	3.2
56.96541	1.8
57.03436	1.7
60.95209	1.8
67.05504	3.4
69.03409	2.9
69.07065	3.0
70.06592	9.3
70.48991	3.5
72.08144	3.4
73.02885	1.7
74.06080	4.0
79.05473	5.2
81.03423	2.7
81.05784	1.6
81.07042	4.5
81.46945	1.6
84.08161	3.7
85.02901	4.8
86.09708	8.0
91.05460	3.4
93.07053	3.8
95.08604	1.6
96.08143	3.8
97.02900	2.0
97.06511	3.6
105.07011	2.4
107.05001	2.4
107.08590	3.2
108.08093	2.4
110.06040	2.1
111.03632	1.7
112.02194	2.3
119.08560	4.9
120.08090	5.4
121.10133	2.3
122.05994	1.8
124.06743	3.6
124.07600	57.2
125.08342	3.8
126.08230	2.3
126.09152	43.0
129.10263	2.5
130.06535	2.8
133.10143	3.1
134.99487	1.7
137.09579	1.7
138.09134	3.7
145.07593	4.3
146.05974	2.3
146.09608	2.6
147.05531	2.0
147.08035	2.9
148.07506	2.4
150.09142	3.1
156.08055	2.9
157.07570	2.3
158.08354	5.1
162.09161	1.9
163.03870	2.2
164.07048	2.9
164.10710	15.1
169.04330	1.9
171.09184	6.7
173.07104	4.7
174.09120	5.6
175.08717	2.9
176.07091	2.0
176.10687	2.5
180.10156	2.2
183.09219	1.9
184.07669	3.0
185.07126	5.9
186.07893	3.5
187.05080	2.6
187.08672	2.4
189.06575	3.8
189.10301	2.3
192.10188	33.8
199.04967	2.7
199.08656	17.4
200.07274	1.9
200.09494	4.7
201.06612	17.6
201.10231	5.6
201.12157	1.5
203.08231	3.7
211.08662	4.6
213.06531	3.7
213.10211	3.8
214.07333	1.9
215.04633	5.2
215.08121	7.5
217.06117	2.9
217.09796	10.7
227.08138	13.3
228.06828	2.1
228.08865	2.6
229.06111	4.3
229.09665	11.6
230.06744	3.8
231.03937	2.3
231.07588	7.3
231.11276	3.8
233.09207	2.4
239.08160	4.7
241.06017	5.0
241.09679	12.0
243.07719	6.3
243.11226	1.7
243.17451	1.6
244.33487	1.8
245.09248	13.3
251.06305	4.0
255.07568	19.8
256.08420	14.0
257.05603	10.2
257.09213	100.0
258.09805	2.9
259.07089	6.5
259.10635	5.4
267.07767	3.2
268.09094	5.8
269.09174	10.1
271.07120	3.7
271.10809	1.8
272.07864	2.5
273.08707	36.4
273.11505	1.5
274.09363	5.0
283.07150	38.6
284.07922	4.2
285.08704	54.8
286.09521	11.8
287.06985	3.1
287.10239	44.3
289.08148	4.4
297.08679	13.8
298.09515	2.2
299.10181	13.0
301.08212	26.9
301.11563	1.8
302.08887	2.2
303.09781	11.8
305.07669	4.4
311.06830	2.4
311.10229	2.1
312.07132	2.3
315.09760	24.1
325.08344	8.9
327.09772	12.5
329.07614	29.6
329.11349	19.3
331.09064	2.8
335.13608	2.7
336.09772	2.7
343.09222	17.1
345.10547	2.1
350.77747	1.9
351.13376	31.9
357.10764	3.2
371.08713	2.6
380.16089	4.8
394.17471	3.6
422.17163	17.7
423.11862	10.9
424.18652	14.6
426.20157	3.3
431.23044	1.8
440.18204	5.5
450.16635	29.8
452.18195	78.0
454.19733	52.3
468.17639	22.3
478.16052	20.6
482.19266	31.8
496.17133	90.0
497.17520	3.2
510.18747	24.2
514.18256	15.2
528.25311	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	528.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01865	2.8
55.05516	7.0
56.96565	2.0
57.03443	6.7
57.07074	12.5
59.04990	3.1
61.02935	4.8
67.05509	5.7
69.03439	11.2
69.07071	54.9
70.06603	1.1
71.01340	1.9
71.04987	5.8
71.08632	8.2
71.49947	1.2
73.02521	1.3
73.02916	22.7
73.06554	9.4
73.80230	0.6
79.05486	5.9
81.03430	3.6
81.07057	4.2
83.04973	2.1
83.08611	2.2
85.02908	24.7
85.10177	3.7
86.09705	0.9
87.04437	1.9
89.03897	0.9
89.06029	30.4
91.05444	1.5
93.07056	2.9
95.04979	2.1
95.08613	2.0
97.02892	16.3
97.06532	16.2
98.06861	1.0
99.04438	1.1
99.08098	1.2
105.07018	2.0
107.04954	2.5
107.08587	1.4
109.02885	2.9
109.06503	1.3
109.10159	3.0
111.04435	2.0
111.11720	87.0
115.03936	8.2
119.08559	2.1
121.06470	0.8
121.10139	1.5
123.04382	0.9
123.08051	0.9
127.03934	6.6
129.05489	1.2
129.12756	100.0
133.04956	6.6
135.04427	2.3
135.11642	0.9
137.05962	1.1
139.03920	1.6
145.02893	1.5
145.04967	7.6
145.06154	0.8
145.06520	0.9
145.10089	0.9
149.13216	0.8
156.13852	4.5
157.05020	0.7
157.10239	0.8
163.03914	12.1
163.06062	2.0
163.07384	0.8
164.04268	1.9
165.05620	0.9
167.07085	0.8
167.08464	0.8
170.15434	2.1
171.08041	1.2
173.11731	1.1
183.08119	1.5
189.09074	0.8
191.07176	0.9
195.08054	1.6
199.07623	0.9
199.16911	21.7
213.09091	2.2
217.17996	31.0
223.05977	1.1
223.80928	0.9
231.10219	1.0
233.11774	0.9
234.11961	1.1
235.12379	1.1
237.09178	1.5
241.08614	3.2
259.09872	6.8
260.09982	2.1
264.49170	0.7
267.15805	0.8
269.07159	0.9
269.11798	1.6
279.13934	0.9
280.06348	0.7
293.15393	0.7
293.23465	0.8
295.13358	1.4
309.14792	2.1
337.14230	4.9
355.15460	3.5
381.19504	0.8
493.27167	0.9
511.19406	0.9
528.31000	0.9
528.47046	2.3
529.21021	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	528.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.2
55.01871	11.6
55.05510	24.3
56.96548	1.1
57.03439	18.5
57.07048	1.5
59.04982	4.3
65.03944	2.1
67.05504	32.4
68.05832	1.5
69.03412	5.1
69.07066	7.8
71.01324	2.0
71.04977	5.2
71.49812	1.0
71.50200	1.4
72.99788	1.0
73.02903	1.1
76.84488	1.1
79.05491	30.4
81.03415	61.3
81.07050	38.7
82.03761	1.4
83.01331	7.0
83.04976	24.8
83.08614	28.3
85.02898	19.5
85.06516	3.1
91.05479	36.0
93.07038	34.1
95.04968	29.4
95.08605	13.0
97.02883	5.1
97.03481	1.2
97.06518	7.7
97.10178	3.0
99.04441	2.4
99.08078	1.3
103.05463	1.4
105.07031	29.9
107.04951	12.5
107.08584	15.5
109.06510	11.2
109.10140	7.2
111.04420	4.8
111.08083	9.8
113.05994	2.0
115.05428	1.4
117.07008	7.6
118.44273	1.2
119.08577	21.8
121.06498	4.0
121.10154	15.0
123.08054	9.3
125.05975	1.6
125.09630	4.6
129.07001	13.3
131.08551	12.0
133.06429	1.7
133.10117	10.4
135.11713	11.3
137.09596	2.4
142.07758	1.7
143.08624	2.0
145.10100	16.3
147.08049	4.1
147.11670	12.0
149.09598	4.8
153.12738	3.5
156.13820	2.9
157.10132	9.0
158.10486	1.2
163.11156	24.1
165.12701	2.2
173.09605	3.3
175.11195	13.7
181.12253	3.9
191.10672	3.3
193.12234	49.7
194.12514	1.2
209.11713	11.7
211.13280	78.7
212.13551	1.4
227.12720	7.2
267.15881	15.8
283.15390	100.0
284.87909	1.2
285.16956	52.5
367.17798	1.2
383.21997	2.9
457.25977	2.1
475.26868	12.1
493.27939	70.5
494.28268	3.2
528.47449	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	530.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39231	0.6
53.03947	0.9
55.05499	2.0
56.05023	1.2
57.03417	1.2
61.02926	2.3
65.03957	1.5
67.04248	1.8
67.05508	0.7
68.05043	1.4
69.03429	5.7
70.06595	12.4
70.19180	0.6
70.76215	1.8
71.04973	2.0
72.08152	0.9
73.02917	0.7
79.05479	1.1
80.05022	1.2
81.03416	2.9
81.07043	0.9
82.06584	9.8
83.07362	7.0
84.08139	3.3
85.02908	12.4
86.09715	1.0
87.04498	1.0
88.03990	1.4
91.03925	0.6
91.05465	1.8
93.07051	0.9
95.04964	2.6
96.08144	1.3
97.02895	5.9
98.06069	1.0
98.20976	0.7
98.97585	1.2
99.04446	1.3
100.07622	100.0
105.07068	0.8
107.04928	1.1
108.28791	0.6
109.02943	1.4
110.06026	1.1
112.07594	1.4
116.98682	0.9
117.07047	1.9
119.05006	0.7
120.08112	2.1
121.02884	8.2
121.06519	1.3
122.03658	0.9
122.06011	1.6
122.09703	1.6
123.04448	0.9
124.07580	1.1
127.03931	2.8
129.10269	1.4
131.04962	1.2
131.08609	1.1
131.45511	0.6
132.90494	0.6
133.06564	0.8
134.09654	2.7
135.04405	1.5
136.07536	0.7
137.05992	11.0
139.03925	2.8
140.07056	4.9
140.71841	0.6
141.07922	0.7
144.10403	0.7
145.04990	0.7
145.06535	1.0
147.04399	1.2
149.02356	2.2
149.05997	1.9
157.06551	0.7
158.08150	1.0
158.99606	0.6
159.04489	1.2
161.06036	1.2
165.05510	1.7
165.06885	0.8
166.08716	0.9
166.45847	0.7
167.07040	0.9
173.06007	1.5
174.09180	0.7
175.07567	0.6
176.10753	1.0
177.00702	0.9
177.05573	0.9
177.37219	0.6
178.08641	7.1
184.09793	1.0
187.07481	1.0
191.05663	1.0
202.08647	1.6
204.10228	5.4
204.13733	0.7
220.09729	0.9
221.10521	0.9
222.11336	1.1
226.12173	0.7
228.13878	0.8
236.71719	0.7
237.02908	1.3
248.09187	7.6
248.12915	0.8
254.11803	1.3
256.13565	0.7
266.10480	0.7
280.11731	3.4
290.13739	0.7
298.12875	10.4
299.13626	0.7
300.12466	2.2
308.04709	0.7
318.13400	11.2
322.97745	0.6
332.15024	2.4
333.24496	0.7
336.14386	10.4
350.15985	10.6
368.17035	14.0
509.08322	0.7
512.21320	11.3
530.22382	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01863	0.7
55.05501	1.8
57.03424	1.8
59.29087	0.6
61.02915	2.2
65.03934	0.8
67.04241	0.7
67.05485	0.7
68.05020	2.1
69.03429	7.6
69.55715	5.0
69.75999	0.6
70.06594	18.4
71.05002	1.6
72.08153	2.9
73.02921	1.3
79.05487	2.3
80.05003	2.1
80.47173	0.7
81.03416	2.8
81.07066	1.2
82.06586	11.5
83.07365	8.5
84.04500	1.2
84.08144	5.8
85.02897	12.1
86.09705	6.1
87.04475	1.6
88.03993	2.7
91.03957	0.8
91.05484	2.7
93.07051	1.0
95.04960	2.4
95.08611	0.7
96.08135	1.8
97.02899	5.0
97.06566	0.7
98.06036	1.4
98.21542	0.9
98.97595	0.7
99.04459	1.0
100.07622	100.0
105.07049	1.3
107.04955	1.7
108.08073	0.6
108.81614	0.6
109.02868	1.6
110.06087	0.9
110.09714	1.4
111.04521	0.8
114.69826	0.7
117.07021	1.3
120.08118	3.5
121.02844	3.3
121.06512	1.2
122.06043	2.2
122.09681	1.6
123.04445	1.3
124.03979	0.9
124.07672	1.0
127.03918	2.7
129.07050	0.8
129.10248	0.8
131.04962	1.1
131.08574	2.1
133.06476	1.8
134.09644	1.4
135.04440	1.1
135.08043	0.9
136.07616	1.4
139.03952	3.9
140.07065	3.3
140.08017	0.7
145.04994	1.6
145.06464	1.5
148.07597	1.0
150.09164	1.2
152.07062	1.0
152.10735	1.3
158.08168	1.1
158.09651	0.9
159.04456	1.3
159.07941	1.2
159.09084	1.3
161.06076	0.9
165.05496	3.7
166.08708	1.4
168.10165	0.9
173.05873	1.0
174.09215	1.4
175.03922	0.8
176.10727	2.0
177.05576	0.7
178.08699	3.7
186.09167	0.9
187.07535	1.4
188.10692	1.3
190.08661	1.2
193.04977	1.2
202.08704	2.3
204.10182	6.9
213.16028	1.0
222.11221	1.8
226.12381	0.9
230.08154	1.4
236.12912	1.0
248.09181	8.5
249.10016	0.9
253.16666	0.8
254.11684	1.0
272.12860	1.1
278.12976	0.7
280.11783	3.5
298.12823	13.3
299.13593	1.2
300.12494	1.0
318.13391	10.2
318.17004	1.1
332.15118	2.0
336.14404	11.9
350.15973	20.0
350.20041	1.5
368.17017	16.2
434.36664	0.8
512.21191	9.7
530.22308	94.7
531.22699	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	530.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.1
55.05515	28.4
57.03432	18.7
60.40578	4.6
67.05507	33.2
67.68729	5.2
69.03415	11.8
69.07072	10.3
70.06597	6.7
70.70361	10.1
70.70712	7.8
71.04982	5.3
72.01372	5.1
76.78286	4.7
77.03941	5.8
79.05490	33.2
81.03423	81.4
81.07047	36.9
83.04989	25.9
83.08614	20.8
85.02901	24.9
88.13601	4.2
91.05492	39.6
93.07042	24.5
95.04965	37.0
95.08616	13.5
97.06520	12.0
97.10195	7.1
105.07020	24.4
107.04961	10.1
107.08597	13.1
109.06525	7.7
109.10114	9.6
111.08086	12.6
115.05454	6.9
119.08579	21.4
121.10134	15.9
125.09550	5.0
129.07016	9.0
131.08560	19.2
133.10146	13.9
137.09651	6.0
147.08052	6.0
147.11681	21.8
149.09633	6.4
157.10155	9.1
165.12741	7.8
175.11227	21.1
193.12248	55.1
211.13275	100.0
267.15933	29.3
285.16971	83.5
289.76083	5.1
359.53299	4.9
385.23123	5.1
459.27411	13.6
470.20865	5.1
477.28326	21.5
495.29581	56.4
525.13019	24.6
530.30713	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	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01862	4.8
55.05505	15.6
56.96550	3.6
57.03440	13.0
61.02922	1.5
65.03934	2.0
67.05507	26.8
69.03427	4.7
69.07066	9.8
70.06584	3.2
71.04980	3.5
71.50206	2.6
71.55976	1.7
71.61700	1.8
73.02902	3.1
79.05492	27.6
81.02940	3.3
81.03419	60.3
81.07061	25.8
82.03760	2.0
83.04974	18.6
83.08624	23.1
85.02448	2.0
85.02911	21.8
85.06511	2.6
87.00542	1.8
91.04927	2.4
91.05483	38.4
93.07042	19.2
95.04967	28.3
95.08622	11.2
97.02858	5.4
97.06513	9.2
97.10139	5.7
98.97591	2.4
99.08104	3.3
105.07025	22.1
107.04947	10.7
107.08598	8.3
109.06516	5.8
109.10142	5.2
111.08070	10.4
113.05993	2.1
117.07001	12.4
119.08577	21.7
121.06497	2.5
121.10132	8.4
123.08099	2.1
123.11749	1.8
125.09660	2.2
128.06180	2.1
128.34877	1.5
129.07013	13.1
131.08578	16.6
133.06491	3.8
133.10130	13.6
136.06165	7.6
137.09599	3.2
142.07767	2.9
147.07999	2.7
147.11667	15.0
149.09599	8.4
151.11116	2.3
151.32903	1.8
157.10135	12.2
159.11652	2.3
163.11086	2.1
165.12695	3.8
175.11177	13.8
176.92464	1.9
193.12239	62.0
201.16345	5.2
211.13289	100.0
249.15036	2.4
267.15964	24.5
285.17001	45.0
298.06015	1.7
338.14648	3.7
365.65475	4.8
368.16867	4.1
369.16083	3.2
385.23251	2.2
459.27417	9.4
477.28418	15.1
495.29489	40.5
530.21777	7.4
530.34882	5.3
531.21185	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	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03189	1.0
53.03948	2.2
55.01860	3.4
55.05509	15.1
57.03437	17.7
65.03940	2.1
67.05499	24.1
69.03410	4.1
69.07075	8.0
70.06582	1.4
70.11041	3.6
71.04987	4.7
78.75906	1.0
79.05495	25.9
81.03418	62.8
81.07056	29.1
83.04985	19.3
83.08618	22.4
85.02901	28.0
85.06532	2.7
89.79572	1.0
91.04919	1.9
91.05481	36.7
93.07040	16.2
95.04391	2.2
95.04964	29.1
95.08597	10.1
97.02883	3.2
97.06525	4.7
97.10160	3.2
99.08082	1.5
105.07027	23.2
107.04944	8.3
107.08589	6.8
109.06529	6.3
109.10143	4.1
111.04441	2.1
111.08080	12.0
113.06030	2.4
115.05480	2.3
116.04211	1.0
117.07007	2.2
119.08588	19.3
121.06519	2.5
121.10136	9.0
123.08049	2.7
123.11634	2.1
125.05982	1.3
125.09650	1.3
125.59434	1.2
129.07004	13.5
131.08565	12.9
133.06464	2.3
133.10107	11.2
136.39119	1.1
137.09593	2.5
142.07773	3.1
145.10071	2.0
147.08066	2.9
147.11687	18.2
149.09610	5.7
154.23518	1.2
157.10144	14.1
163.11156	2.4
165.12743	3.9
175.11197	18.9
193.12242	67.8
211.13287	100.0
219.86464	1.0
251.39386	1.2
267.15936	27.5
285.16962	82.4
327.05225	1.2
367.22324	1.3
385.23618	2.9
459.27338	10.2
477.28604	12.1
495.29529	30.7
505.83896	1.1
536.30469	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	532.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21570	2.1
53.03937	2.6
55.01872	5.5
55.05495	9.5
56.96560	6.0
57.03437	5.8
57.07071	3.9
61.02922	5.7
61.61992	2.1
65.03930	3.0
67.05506	34.4
68.05843	2.6
69.03420	9.4
69.07062	7.8
71.04997	3.2
71.49736	3.1
73.02908	25.8
76.24780	2.3
79.05489	18.9
81.03407	4.4
81.06611	3.5
81.07061	63.7
83.08604	3.6
85.02905	20.8
86.09700	3.8
87.04446	2.5
91.05492	23.3
93.06501	3.4
93.07050	43.2
95.04971	5.4
95.08611	100.0
97.02885	14.8
97.06516	7.4
97.62123	2.4
99.04453	2.9
105.07033	44.6
107.04920	3.6
107.08595	75.5
107.96575	2.3
109.02905	3.1
109.10153	55.2
109.90686	2.4
115.03937	5.1
115.75806	2.2
119.08588	29.5
121.10153	18.2
123.11701	7.9
127.03926	9.6
133.04948	10.4
133.10135	28.6
135.04362	2.8
135.11697	29.9
137.13231	35.6
139.03899	3.3
145.04953	9.4
145.10100	5.2
147.11682	60.2
159.11719	2.9
161.13232	13.9
163.03889	4.2
163.06033	4.6
175.14870	4.3
184.07390	14.5
192.29007	2.8
197.39326	2.5
203.17973	89.2
229.07536	2.4
239.07249	3.3
247.08455	4.4
259.08081	2.6
285.10074	3.1
356.60397	2.6
367.08203	10.0
533.27405	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	533.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
53.06134	0.5
55.01878	2.9
55.05503	0.6
56.05028	0.6
56.96553	0.6
57.03422	1.7
61.00229	0.6
61.02901	0.8
64.17110	0.7
64.87273	0.5
65.03910	0.8
66.04699	0.8
67.05505	0.8
69.03432	5.5
70.06601	2.9
71.04975	0.8
71.49339	0.8
72.08135	0.9
73.02901	1.1
74.06069	1.1
78.04700	0.7
79.05496	5.9
81.03411	2.1
81.07047	3.3
83.04999	0.5
84.08128	2.2
85.02908	8.2
86.09700	2.0
87.04473	1.1
91.05476	3.0
91.81850	0.5
93.07024	0.6
94.04180	3.6
95.04966	3.6
95.08609	0.9
96.65612	0.5
97.02869	3.1
97.06536	0.6
99.04440	0.6
103.05448	0.8
105.03387	0.9
105.04507	0.6
105.07011	1.6
107.04951	4.0
107.08588	2.5
108.00101	0.5
109.02892	3.2
109.06512	4.7
109.10175	0.9
111.12841	0.5
111.99631	0.5
115.05459	1.5
117.06987	1.0
119.04948	0.6
119.08568	0.7
121.02858	0.7
121.06506	3.1
121.10145	1.3
121.65838	0.6
122.03663	8.0
123.04446	1.0
123.08068	0.6
126.03168	0.7
127.03912	2.2
129.06966	1.1
129.10245	1.7
131.04935	1.1
133.10118	12.0
135.04422	0.9
135.08055	1.0
135.11642	0.7
136.05226	2.8
137.05975	58.8
137.09596	6.8
139.07544	1.0
143.04922	0.8
145.04971	0.7
145.06506	1.6
149.05992	1.6
149.09654	0.7
149.13206	2.2
151.03938	0.9
151.07549	12.9
151.11185	0.8
155.04944	0.8
155.07027	6.2
157.06549	0.8
161.05971	3.5
163.07574	1.1
165.05472	100.0
167.07071	3.2
173.05978	1.4
174.06734	1.3
175.07541	2.4
177.05452	2.2
177.09070	1.0
179.07030	19.6
179.08595	1.1
181.04965	0.6
181.08559	1.4
183.04416	0.6
186.03053	0.8
187.07581	2.6
189.00818	0.6
189.09088	3.9
191.07059	2.1
191.14297	6.0
201.05461	10.8
205.08629	0.8
209.08084	2.5
209.15324	2.6
215.07050	1.5
217.08556	2.0
219.08191	0.7
219.10207	1.6
232.08949	0.6
235.07303	0.6
248.08365	0.6
249.09100	1.0
249.14830	0.8
259.07217	0.6
261.09180	2.3
262.09784	0.8
265.08649	0.7
265.12149	1.2
268.29282	0.5
275.10806	2.7
277.08698	2.0
278.09204	0.6
279.10278	1.5
280.11115	0.6
283.09631	1.7
289.08603	1.7
290.76550	0.5
291.10138	1.8
292.10892	0.7
293.08636	0.6
293.11478	2.8
294.12488	1.9
295.09766	0.8
297.11127	0.9
298.11923	3.0
303.10068	1.7
304.10962	1.6
305.07986	1.3
307.04446	1.2
310.11673	1.0
311.12781	2.2
320.10321	3.6
321.11292	3.8
322.11905	1.1
323.12949	0.9
325.14294	5.6
335.08801	1.1
335.12741	15.9
338.11478	0.6
339.12222	1.0
341.13855	2.4
349.10550	0.6
353.13858	22.9
371.14935	9.3
410.59702	0.7
473.20801	1.5
533.20032	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	533.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.2
55.05506	5.2
56.05022	9.6
57.46492	2.9
59.04969	4.3
60.94945	3.0
61.02906	3.6
67.05482	10.0
69.03418	13.9
69.07051	8.3
69.65324	20.1
70.06589	58.6
71.04979	9.6
72.08138	7.7
73.02917	3.6
74.06075	8.6
78.07742	3.2
79.05501	18.6
81.03417	7.5
81.07046	8.6
83.04971	11.6
84.04497	7.1
84.08141	27.1
85.02899	30.7
86.09692	14.2
91.05475	15.4
92.76396	3.0
93.07043	8.0
95.04951	14.5
95.08595	11.9
97.02876	11.0
97.06496	7.0
98.97482	4.6
99.04403	3.7
99.08113	4.5
101.07133	2.9
103.05466	5.3
105.07021	15.5
107.04955	26.6
107.08594	19.4
109.02844	16.4
109.06512	7.9
109.10152	10.9
115.05431	6.7
117.03387	4.2
117.07004	4.9
119.04898	5.3
119.08540	9.0
120.08070	5.3
121.06505	8.4
121.10134	16.7
122.03549	4.2
123.04427	10.5
123.08022	4.5
125.09621	7.4
126.80433	3.0
127.03916	8.6
127.08650	3.3
128.06236	4.8
129.06966	6.1
129.10246	15.6
131.04889	10.6
131.08562	5.1
131.42497	3.2
133.02815	6.5
133.06453	9.4
133.10107	10.3
135.04384	6.0
135.08022	10.1
135.11705	4.5
136.07581	8.3
137.05966	21.2
137.09578	6.5
139.03870	5.7
145.02876	3.5
145.04951	5.9
147.04416	5.7
147.08015	4.1
147.11690	6.1
149.05959	11.9
149.09593	7.7
149.13245	12.1
151.03880	12.8
151.11191	38.9
155.08163	5.4
159.08028	8.8
160.05246	3.6
161.05954	13.3
161.09660	3.1
162.03125	4.0
162.06708	3.6
163.03885	27.4
163.14824	10.1
165.05443	14.5
165.06789	4.1
165.12674	4.5
167.07033	100.0
171.04286	3.0
173.05974	3.7
173.13239	18.5
175.07530	21.9
175.14886	4.4
177.05504	22.2
186.03053	3.9
187.07549	20.8
189.05493	3.8
191.06987	12.7
191.08551	4.3
191.14320	53.8
199.07530	10.8
201.05460	48.6
203.08624	3.2
207.08012	3.5
207.13602	3.5
209.08034	8.1
209.15372	63.3
213.05371	4.3
215.06970	4.9
221.05919	4.9
231.06375	3.4
234.06816	4.5
235.07571	5.0
249.09108	9.1
250.06261	3.2
261.09015	5.8
266.09448	3.0
267.06479	5.1
278.09390	3.7
281.11609	5.8
289.08511	6.9
291.10382	3.1
293.08032	3.5
293.11624	3.7
307.15024	12.7
309.11176	7.9
321.11154	7.3
323.09262	3.2
335.09052	3.8
339.12216	6.6
341.06577	41.9
341.13684	17.6
349.10297	4.4
353.13934	7.3
371.14963	14.2
468.94003	3.3
533.20099	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	533.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.3
55.05516	3.9
56.05027	9.0
57.03429	5.3
59.04971	3.6
61.02928	5.1
65.46404	3.1
67.05509	5.2
67.62832	3.1
69.03440	19.4
69.07070	8.4
69.36276	11.6
69.36700	17.2
70.06589	42.8
71.05001	7.9
72.08159	11.7
73.02932	5.3
74.06075	10.2
78.62060	2.8
79.05479	18.1
81.03422	6.9
81.07051	9.8
83.04978	9.6
84.04524	4.7
84.08142	26.3
85.02908	28.8
86.09698	16.8
88.52234	3.8
91.05482	13.9
93.07045	14.4
94.26916	2.9
95.04972	14.0
95.08616	11.6
97.02898	10.9
97.06566	5.4
99.08092	4.7
103.05474	7.8
105.03365	3.4
105.07005	19.0
107.04957	21.4
107.08582	22.5
109.02875	19.6
109.06545	7.9
109.10157	12.7
111.04441	5.0
115.05455	6.7
117.07056	4.9
119.05032	4.3
119.08574	10.1
120.08106	6.4
121.06495	8.1
121.10165	21.9
123.04435	5.7
124.05241	4.9
125.09621	10.5
127.03899	6.4
128.06178	5.4
129.07013	6.6
129.10263	15.5
131.04939	7.8
131.08562	6.0
132.05711	4.6
133.06517	4.9
133.10135	18.7
135.04436	5.0
135.08063	9.1
135.11726	6.7
136.07561	7.4
137.05957	20.4
137.09589	6.9
139.03928	7.2
139.07509	3.9
139.11191	5.9
143.08543	4.4
145.10115	6.8
147.04379	4.1
147.11671	7.4
149.05969	6.5
149.09599	7.8
149.13280	14.1
151.03876	10.2
151.07574	4.1
151.11180	54.3
153.09158	3.5
159.08035	5.6
161.05998	16.9
163.03909	15.5
163.14847	7.9
165.05479	20.3
165.12730	4.5
167.07025	73.1
173.05879	3.8
173.13203	9.8
175.07509	16.3
177.05467	13.9
184.05348	3.8
187.07533	17.0
189.05450	4.4
191.07014	12.0
191.14294	78.1
199.07487	9.7
201.05434	34.1
201.12456	3.3
207.13780	4.7
209.08112	12.8
209.15359	100.0
215.06860	3.5
219.08156	4.9
249.09090	8.0
253.08896	3.5
261.09152	6.3
265.08694	4.2
290.12228	3.2
305.02512	3.3
307.15237	7.9
309.11203	6.9
321.11246	5.6
323.09149	3.6
339.11850	3.4
341.06616	18.3
341.13846	11.1
346.47418	3.6
348.45807	3.8
349.10651	5.4
353.13901	11.0
371.15414	7.1
419.68875	3.4
501.19653	4.4
533.20844	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	533.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01866	5.2
55.05510	3.1
56.05037	0.9
56.96562	1.4
57.03443	7.6
59.04993	1.9
61.02924	10.5
65.03944	0.9
67.05502	6.1
69.03428	32.4
69.07069	10.7
69.30053	2.7
69.30479	5.1
70.06590	4.7
71.01358	1.1
71.04993	4.1
73.02917	4.8
74.06071	1.1
79.05495	7.3
81.03417	13.7
81.07052	7.4
83.01360	0.9
83.04982	3.4
83.08625	3.5
84.04520	1.2
84.08139	3.4
85.02903	100.0
85.06512	0.9
86.09703	1.5
87.04482	5.0
91.03964	6.6
91.05477	4.6
93.07043	5.1
95.04974	10.5
95.08612	5.2
96.37189	0.8
97.02889	37.0
97.06528	14.6
98.03226	0.7
98.97597	1.4
99.04453	6.9
101.02334	0.9
103.03934	1.8
103.05546	1.3
105.07039	6.0
107.04947	6.9
107.08606	6.6
109.02867	20.7
109.06519	6.3
109.10165	3.2
111.04438	2.3
111.08108	1.4
115.03942	2.0
117.07039	0.8
119.08545	5.0
121.06480	6.5
121.10133	4.2
122.07278	3.7
123.04450	2.2
123.08070	19.4
123.11734	1.8
125.09672	0.8
127.03911	30.6
127.07544	0.9
129.10245	1.3
131.04935	1.4
131.08568	1.9
133.10135	5.9
135.04369	1.5
135.08049	30.6
135.11684	3.8
137.06009	4.1
137.09618	2.1
139.03864	4.3
143.08556	0.9
145.04958	40.1
145.10193	1.7
147.04404	1.6
147.11667	4.3
148.08838	1.4
149.05992	2.5
149.09627	3.1
149.13336	1.6
151.03920	2.3
151.07584	1.4
153.05441	1.0
161.06021	1.2
161.09627	1.0
161.13277	1.0
163.03888	5.3
163.05989	6.9
163.07338	1.1
163.11205	1.2
163.14796	1.1
165.05479	10.4
165.06764	1.3
165.12752	21.6
166.05916	0.9
167.07071	3.2
171.06512	2.7
171.07910	0.9
173.02283	1.9
173.13257	2.2
175.07648	0.9
175.11165	0.8
175.14825	4.2
176.12065	2.4
177.05478	9.0
177.06886	0.9
177.12749	1.1
189.07590	2.6
189.09155	1.6
191.07025	1.3
191.14301	88.9
193.15868	11.7
195.06488	2.0
204.18201	0.9
207.13852	3.3
209.08055	4.8
209.15356	13.5
215.07071	2.6
221.19160	0.9
259.09677	6.1
293.12436	1.1
309.16983	0.9
311.13101	0.9
351.99872	0.8
353.19711	2.4
371.15567	1.3
371.20621	10.1
406.04321	0.9
473.17938	1.2
533.26062	26.5
534.26959	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	534.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.05492	1.3
56.96541	0.7
57.03408	2.0
61.02895	1.5
67.05479	2.1
69.03430	5.2
69.07040	2.4
70.02962	10.3
70.06555	1.3
71.01338	0.8
73.02892	2.3
73.58552	0.6
77.69334	0.6
79.05463	2.1
80.57174	0.6
81.03394	1.3
81.07021	1.7
84.08116	0.9
85.02477	0.6
85.02910	8.9
86.09662	1.1
87.04448	1.2
89.03874	0.7
91.03951	0.7
91.05473	1.5
93.07011	2.1
95.04935	1.8
95.08582	1.9
97.02874	5.6
97.06534	4.5
101.02373	3.4
105.06994	2.0
107.04935	1.4
107.08562	1.6
109.02884	1.3
109.10123	1.0
110.03202	0.6
112.22859	0.6
113.02316	1.3
114.05527	6.1
115.03883	2.1
119.08582	3.4
120.08091	1.0
121.02812	0.8
125.02337	1.4
125.85762	0.7
127.03935	0.8
133.10118	2.0
135.04385	1.2
138.98477	1.0
138.99467	12.7
139.03850	0.6
143.03368	1.6
145.04921	0.9
145.10191	1.0
147.11694	0.8
149.13255	0.6
151.03905	36.8
162.12816	0.8
163.03934	3.7
163.05066	0.6
165.01009	0.8
165.05438	1.7
167.08475	0.7
168.12253	0.6
175.07489	0.8
175.14879	2.9
177.05470	1.4
177.16420	1.1
181.06493	1.3
192.05737	5.7
196.08826	1.9
199.03090	23.6
205.10133	5.0
209.05986	0.9
220.05191	28.2
221.05795	0.7
224.08366	3.3
227.02565	17.8
235.07462	0.7
244.02863	2.0
255.02078	31.2
259.05206	3.9
259.09589	1.8
260.10043	0.8
270.04413	3.6
271.05188	2.3
272.02332	1.7
285.03159	1.4
285.10059	0.9
286.03943	0.8
287.04691	91.9
296.04724	1.3
311.04425	1.5
315.04269	3.0
329.05734	0.8
374.11539	100.0
375.11850	1.6
396.82193	0.6
402.10992	11.5
416.12634	2.4
426.11502	0.9
446.20734	5.1
534.15234	5.5
534.25952	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	534.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.9
56.05023	1.6
56.96565	1.0
57.05812	1.1
60.04235	1.1
60.04524	13.2
61.02928	0.9
66.98259	0.4
67.05503	0.9
69.03450	2.7
69.07079	0.6
70.06589	4.1
71.49188	0.7
72.08154	100.0
73.02914	0.6
73.08492	0.5
74.06068	2.7
79.05486	1.1
81.03422	1.6
84.04494	1.3
84.08149	2.8
85.02903	5.5
85.06586	0.6
86.06073	0.8
86.09706	34.7
87.04479	0.5
87.05572	0.5
88.07641	0.7
89.79828	0.4
91.05492	1.5
93.07065	0.6
95.04975	1.1
97.02885	2.4
98.06051	5.0
98.09706	0.8
98.97610	1.2
101.07153	1.1
102.05499	0.8
104.10718	0.5
106.06582	0.7
107.04976	1.8
109.02892	1.4
111.04462	0.9
112.03953	2.6
112.07574	0.6
115.08677	0.4
116.06270	0.8
116.07090	16.2
116.98682	0.5
117.03315	0.6
117.07049	0.5
120.08141	0.7
121.02906	0.4
121.06521	0.9
123.04435	1.3
124.03974	1.5
124.07668	0.5
125.06052	0.6
125.07182	0.7
126.05536	0.7
127.03922	1.3
128.10733	0.8
129.10242	1.1
130.04974	0.6
131.04910	0.6
133.02840	1.2
134.99622	0.5
135.04398	1.0
136.07581	0.9
137.05972	0.9
138.09189	0.7
139.03911	1.1
143.08156	5.8
145.02878	0.6
145.05060	0.9
146.99673	0.7
147.04417	1.0
148.06023	0.6
151.03891	1.1
156.10260	0.9
161.06061	0.5
161.09219	6.5
163.03914	3.7
163.07542	0.5
164.04282	1.5
165.05559	1.1
170.94440	0.5
171.07648	20.7
173.12866	2.3
174.11263	1.1
177.05569	0.8
179.03554	0.5
179.07126	0.6
185.16470	5.6
187.10806	0.8
189.05624	0.5
189.08710	8.4
193.05025	3.2
193.06538	0.6
193.08727	0.6
201.12486	0.6
210.11275	1.3
213.15977	10.0
213.17850	0.8
225.12408	2.0
237.02939	1.0
242.14984	2.2
243.13560	0.6
244.13016	0.6
247.12892	14.1
270.14487	39.0
271.14999	0.6
288.15540	24.2
294.87463	0.5
296.06689	0.6
302.13751	0.5
328.27026	0.4
341.06580	3.3
342.06839	6.1
342.10349	0.6
346.19751	3.5
354.19101	0.8
356.22168	0.7
365.05289	0.6
372.16077	0.8
372.20105	2.8
373.24530	1.9
381.61954	0.5
383.23056	1.4
401.23935	5.2
437.75497	0.6
516.26611	0.5
534.26001	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	534.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05505	2.8
57.03434	2.5
57.07061	1.5
65.03947	1.0
67.05497	2.1
67.66417	0.7
69.03419	2.6
69.07060	2.7
70.06593	4.4
70.75440	1.9
71.04610	1.1
71.04994	17.6
72.08154	1.5
73.02930	0.9
74.06084	1.1
79.05506	4.8
81.07037	3.6
83.04974	1.5
84.08148	2.5
85.02912	19.7
86.09712	3.3
87.04456	1.0
91.05487	10.6
93.07039	4.4
95.04963	1.8
95.08611	2.2
97.02877	1.7
97.06542	1.5
103.05473	1.1
105.07043	12.2
107.04954	1.7
107.08614	9.1
109.02883	0.9
109.06532	1.7
109.10159	2.3
115.05438	1.1
116.06274	0.8
117.07007	5.4
119.08588	12.9
120.08117	1.2
121.06481	0.9
121.09359	0.9
121.10159	12.4
123.08058	1.8
125.34117	0.6
127.03958	0.8
128.06218	0.9
129.05486	6.1
129.07021	4.6
129.10245	2.0
130.07805	2.2
131.04913	1.0
131.08565	18.7
133.06442	0.9
133.10150	5.4
135.08066	4.8
135.11668	0.9
136.07561	0.7
137.05965	2.3
137.09601	1.2
143.08553	9.9
144.09331	3.8
145.05014	1.2
145.10139	13.2
147.06544	3.7
147.11691	6.5
149.05966	0.8
149.09653	1.1
149.13260	7.7
151.03903	0.8
151.07481	0.8
151.11169	1.9
152.11514	1.5
157.10138	1.4
158.10927	10.8
161.05968	0.9
164.09229	2.1
167.07059	3.5
168.07387	2.0
171.11624	1.1
173.13272	36.5
175.14842	8.4
177.05522	2.0
187.07500	0.8
187.14760	1.0
191.14319	100.0
192.14624	2.2
201.05479	1.6
202.05869	1.1
209.15324	3.6
210.15732	2.7
271.14313	3.2
287.05502	3.0
303.16898	1.2
368.14426	0.8
372.14526	1.3
373.21027	1.0
534.19629	0.9
535.25977	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	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01823	3.5
55.05518	25.8
57.03434	10.7
57.07069	13.9
61.02919	8.2
61.45918	3.0
67.05143	5.2
67.05508	82.8
69.03434	4.2
69.07065	30.6
69.27745	27.1
69.28168	6.7
71.08630	7.0
73.02935	4.2
79.05499	28.4
81.06618	7.5
81.07060	100.0
83.08620	19.6
85.02909	5.4
85.06539	6.2
86.09681	5.1
91.05499	23.3
93.07034	35.6
95.08608	94.0
97.02885	4.5
97.06531	8.7
97.10175	16.4
99.08102	6.5
104.10736	16.5
105.07027	21.7
107.08582	21.0
109.10165	47.8
111.08064	5.4
111.11703	6.8
119.08612	18.9
121.10143	28.7
123.11696	23.8
125.00008	5.4
125.09676	4.7
133.10144	20.8
135.11708	17.3
137.09581	3.2
137.13268	11.2
147.11699	14.1
149.13251	12.9
151.14825	11.8
155.14293	7.0
161.13251	18.2
163.14824	11.1
165.16400	13.1
175.14825	15.6
179.17955	9.2
184.07376	12.7
189.16403	6.0
210.16634	3.3
245.22667	67.7
263.23721	99.3
337.27356	78.5
419.42978	3.6
499.32614	3.4
515.40515	3.8
534.35852	3.5
534.46051	15.7
559.57172	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	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29665	4.1
55.05502	19.7
57.07063	12.4
67.05503	97.5
69.03426	5.0
69.07083	26.4
71.08625	7.0
79.05486	18.6
81.03426	7.2
81.07056	100.0
83.08616	30.1
85.02914	8.1
85.08849	4.5
88.32313	4.1
91.05485	18.5
93.07053	32.7
95.04979	5.6
95.08608	81.4
97.02885	8.6
97.06510	6.9
97.10175	13.1
99.08065	4.3
105.07007	17.4
105.68758	4.9
107.08610	18.6
107.57623	4.5
109.10166	37.2
109.95762	4.8
111.08066	7.2
119.08583	18.4
121.10148	25.5
123.08073	5.6
123.11716	24.1
133.10124	22.1
135.11702	17.1
137.13333	5.7
147.11681	11.5
149.13272	11.0
161.13252	15.3
163.14792	14.9
165.16362	9.4
175.14821	14.0
179.17960	5.8
227.20357	6.5
229.46027	5.9
234.86049	4.7
245.22623	62.2
263.23712	74.3
337.27371	36.6
371.25739	12.1
389.26453	6.9
407.27728	10.9
459.32535	5.0
534.46051	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	534.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25146	0.7
53.03947	1.9
54.49501	0.7
55.05509	8.0
56.05029	5.7
56.90636	1.0
57.07077	4.3
58.15170	0.9
59.44901	0.8
60.04533	4.7
67.05503	14.5
68.05024	1.2
69.07070	10.0
69.38793	0.8
70.06596	3.3
71.08628	2.3
71.49277	1.4
73.05109	0.8
79.05498	13.8
80.05010	3.0
81.05824	2.0
81.07056	12.9
82.06586	8.3
82.50771	1.1
83.08613	6.9
85.10164	0.9
91.05483	10.9
93.05839	1.0
93.07048	11.9
94.06567	21.2
95.04945	1.2
95.07343	10.4
95.08619	11.2
96.08154	5.3
97.10158	2.3
105.07048	5.7
107.08585	4.8
108.08118	3.9
109.10144	4.0
116.12238	0.8
117.07107	0.9
119.08576	7.5
121.10153	6.0
122.09670	2.6
123.11679	1.2
133.10127	4.2
135.11705	3.3
136.11214	1.0
142.04497	0.9
144.57623	0.9
147.11722	1.8
149.13252	1.2
161.13214	0.9
180.19603	0.8
219.68459	0.9
220.99364	0.8
233.22583	4.1
245.22697	4.4
250.25293	10.7
262.25296	100.0
263.25754	2.0
272.25873	6.2
280.26367	9.8
504.47876	1.3
516.47931	6.6
532.14209	0.9
534.48663	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	535.2152
Annotation	piperaquine
Peak:m/z	Relative Intensity
56.96547	1.4
57.03421	0.8
65.89039	0.6
69.03402	2.2
69.07049	1.6
70.06573	1.8
70.75182	2.0
72.08141	1.5
72.11745	0.7
73.02888	0.8
75.36423	0.8
79.05477	0.8
81.03388	1.3
81.07053	1.5
84.08126	1.8
85.02894	2.8
86.09702	29.2
87.00802	0.9
87.09521	0.9
87.10030	5.4
89.07155	0.7
91.05485	1.5
93.07041	1.2
97.02894	1.2
97.06529	1.4
98.97607	0.7
105.07097	0.7
107.04919	1.0
107.08581	1.0
109.02843	0.9
109.10159	0.8
114.35027	0.7
115.08673	2.0
116.98649	0.7
119.08471	0.7
120.08086	6.2
121.06522	0.7
121.08433	1.6
125.72202	0.7
127.03890	1.3
129.10236	1.0
131.00079	0.6
131.04898	0.9
133.10112	0.9
136.07516	1.0
137.05966	1.7
143.08122	2.0
145.04951	0.7
147.04359	0.9
149.01210	1.5
157.13322	0.9
158.13629	0.7
165.05469	1.5
166.08617	5.7
167.07053	0.8
167.08945	1.9
177.05440	0.8
185.12878	1.1
199.18054	4.7
200.18379	2.7
227.17529	4.9
228.17845	4.4
237.12320	0.8
256.16617	1.0
267.09073	2.3
268.10641	0.8
271.09946	0.7
285.10104	3.2
287.05511	14.3
298.21164	2.9
299.21484	3.1
313.18768	0.7
352.09113	0.7
352.74039	0.7
373.33887	0.9
485.16891	2.7
535.21362	100.0
536.20752	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	535.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
56.05028	1.2
57.03441	0.9
61.02927	1.0
69.03437	1.7
70.06595	6.9
71.49416	1.1
72.08141	1.1
73.02914	1.1
83.05000	0.9
84.04532	1.1
84.08146	2.9
85.02914	5.0
86.09715	3.0
91.05494	1.5
93.07046	1.6
95.04992	1.2
95.08618	1.0
97.02890	2.0
97.06567	1.9
98.97593	1.1
103.05482	0.8
105.07059	1.6
107.04958	2.0
117.64336	0.9
119.04898	1.0
119.08569	1.3
120.08108	1.8
121.10136	1.3
127.03951	1.6
129.10266	1.8
131.04930	1.2
133.02859	0.8
134.08432	2.5
135.04388	1.0
135.08037	0.8
136.04967	1.0
137.05006	0.8
137.05986	3.7
147.09187	1.6
148.09955	3.5
149.01228	1.7
152.42766	0.8
153.05505	1.0
159.04399	0.8
160.07747	1.1
161.06010	1.9
161.10780	3.4
162.11531	55.7
163.12328	1.2
165.05501	1.5
167.07021	1.8
175.12314	35.5
176.13103	77.4
177.05513	1.4
178.90927	0.9
182.69275	0.9
188.13136	3.2
189.13864	1.3
190.14667	2.5
191.14325	1.2
201.13960	1.2
203.07047	1.1
215.15445	2.6
243.14935	3.6
267.09402	1.6
271.14444	14.4
275.17599	2.5
285.10184	2.5
303.17044	100.0
319.09756	0.9
341.18573	3.4
345.21735	1.9
373.21246	14.2
438.39096	0.9
485.17017	2.8
503.17529	0.9
535.20715	55.7
535.26532	90.0
536.20367	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	535.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02890	0.9
67.05453	1.1
67.67792	0.5
69.03368	1.9
69.80894	3.1
70.06553	0.9
72.08117	0.6
73.02876	0.5
79.05424	1.9
81.03377	0.8
81.06988	0.6
84.08095	1.3
85.02907	2.5
86.09660	1.0
91.05450	0.7
95.04917	1.1
97.02850	1.0
97.06485	0.6
103.05367	0.6
107.04959	3.1
109.02792	1.6
120.03969	0.5
120.08005	0.6
121.10072	0.5
125.02341	0.6
127.03845	0.7
131.04869	0.8
135.04372	0.7
136.07555	0.9
137.05899	2.3
139.03873	0.5
141.05525	0.5
147.04434	0.5
148.03831	0.6
149.01083	0.6
149.05969	0.8
149.09627	0.7
149.10713	6.7
150.12733	1.4
151.03821	1.5
152.04253	0.6
162.02167	0.6
163.12270	0.6
164.12878	0.5
165.05464	1.5
172.03908	0.6
177.05470	1.0
178.05717	0.6
179.04739	0.6
182.94766	0.5
186.11444	0.9
188.13016	1.1
189.13841	3.1
190.14645	24.5
191.15405	0.7
197.11784	1.3
201.10176	0.7
201.13855	3.2
204.06625	0.6
209.07983	1.3
213.13908	1.1
215.15425	16.8
216.16243	2.8
227.15361	1.8
229.13362	0.9
241.13100	1.1
243.14919	16.6
244.15576	1.4
245.16475	15.7
252.09390	1.4
257.12842	1.2
271.14395	73.5
272.14990	1.1
285.09784	0.6
287.17554	5.3
289.15497	1.3
299.09964	0.8
303.17010	45.2
304.17682	2.1
332.11017	0.6
333.12057	2.9
341.11606	1.0
341.18549	4.1
345.21753	2.4
355.20010	0.6
373.13498	2.1
373.21188	31.1
431.18500	0.8
518.59070	0.5
535.26556	100.0
536.26984	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	535.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
56.05011	0.5
56.96556	0.5
57.03402	0.7
61.02901	0.7
67.05466	1.3
69.03397	1.9
69.58515	3.0
70.06554	1.9
72.08132	0.8
73.02905	0.6
74.06063	0.5
79.05461	0.8
81.03369	0.8
84.04460	0.8
84.08147	2.3
85.02919	2.5
86.09674	0.6
91.05466	0.7
93.06992	0.9
95.04932	1.2
95.08527	0.5
97.02861	1.3
103.05453	2.9
105.07005	0.6
107.04977	2.6
107.08569	0.5
109.02840	1.7
109.10177	0.6
110.09647	0.5
110.73174	0.4
111.04426	0.6
120.08078	1.4
121.06468	1.0
121.10065	0.5
127.03880	0.9
129.10191	1.0
130.37299	0.4
131.04924	4.8
133.06410	0.5
135.04369	0.5
136.07527	2.0
137.05980	5.8
139.03825	0.7
146.29575	0.4
147.04375	1.0
147.05502	0.6
148.09988	0.5
149.05923	1.3
149.10762	2.8
150.11504	0.6
151.03854	0.7
151.08752	0.5
157.78308	0.4
159.04329	0.7
161.05956	0.4
163.07553	5.7
164.08269	1.3
165.05466	1.6
167.07013	0.6
172.03938	1.2
172.09956	1.9
173.10730	0.7
175.12262	0.8
177.05400	1.4
185.10782	0.6
186.11465	0.8
187.12291	0.6
188.13068	1.2
189.13889	4.6
190.14659	19.1
200.09431	1.0
201.13846	0.7
204.06554	1.6
206.04410	0.6
207.06491	1.0
207.13786	0.6
209.08041	1.1
213.13811	0.9
214.14485	0.5
215.07040	0.5
215.12117	0.8
215.15437	20.6
216.16144	2.9
217.09763	1.0
227.15436	1.5
229.13341	0.6
241.13416	2.5
243.14925	15.9
244.15645	0.8
245.16492	6.0
259.14471	0.6
261.10010	0.8
271.14410	70.2
272.14819	1.6
275.17584	1.5
287.17548	2.9
303.17026	70.0
304.17648	2.2
309.10907	0.5
313.11597	0.8
313.19131	1.0
339.13333	0.7
341.11569	1.4
341.18497	3.5
343.52609	0.6
344.60767	0.5
345.21915	2.6
355.12875	0.6
373.14185	2.4
373.21234	21.5
517.17792	0.7
517.70923	0.6
535.26532	100.0
536.18719	0.5
536.26575	2.1
563.80872	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	535.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36243	3.8
69.36572	0.6
70.06584	0.8
72.29339	0.4
85.02874	0.5
94.29257	0.4
107.04955	0.4
135.09181	6.5
137.05911	0.7
148.09950	7.1
161.10756	1.0
167.07079	0.4
173.10751	0.8
175.12297	10.2
176.13094	62.4
177.13425	0.8
189.13753	0.7
201.10275	0.6
202.08537	0.4
210.11610	0.5
211.17023	0.7
213.13817	0.5
215.15434	1.4
243.14946	11.4
271.14417	24.6
275.17502	1.5
287.05511	3.4
303.17026	100.0
304.17322	2.5
313.19012	0.8
341.18555	2.5
345.21783	0.9
364.17139	0.4
373.21219	8.5
511.11319	0.5
535.26526	80.0
536.27063	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	535.2876
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.01851	0.6
55.05506	1.1
56.96562	0.8
57.03431	1.2
67.05498	2.9
69.03427	1.0
69.07071	1.4
69.19248	1.9
69.19669	3.8
71.04976	0.7
73.02928	0.8
76.15620	0.4
79.05510	2.4
81.03414	2.7
81.07051	2.8
83.04969	1.3
83.08634	0.9
85.02901	2.0
91.05485	2.4
91.66581	0.5
93.07042	2.0
95.04980	2.3
95.08612	1.5
97.02897	1.7
97.06539	1.9
97.10135	1.1
99.04516	0.5
99.08065	0.6
105.07039	1.0
107.04963	1.1
107.08549	1.0
109.06570	0.6
109.10157	1.9
111.08053	0.7
113.06035	0.6
117.07049	0.6
119.08581	1.4
121.10139	1.1
125.09604	0.6
129.06999	1.1
131.08601	0.9
133.10100	1.0
137.09590	0.5
139.56412	0.6
143.08578	0.8
145.06429	0.6
145.10118	0.7
147.11664	0.6
157.10210	0.6
175.11093	0.6
179.03564	0.6
189.11272	0.6
193.12224	0.8
206.19780	0.6
207.02936	0.9
211.13213	0.6
226.75722	0.6
229.14305	0.6
233.11452	0.6
251.12534	4.3
259.09448	0.6
285.10263	1.1
307.15179	3.9
385.18967	0.7
517.20203	0.6
517.28174	2.1
535.28784	100.0
536.29407	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2878
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
50.37870	0.2
55.05507	1.0
57.03428	0.7
63.53775	0.2
67.05513	1.3
69.07062	0.8
70.10818	1.0
71.05022	0.4
79.05501	1.5
79.59241	0.3
81.03423	1.8
81.07053	1.7
83.04963	0.5
83.08624	0.7
85.02908	2.0
91.05476	1.5
93.07045	1.0
95.04973	0.8
95.08604	0.7
97.02925	0.3
97.06550	0.6
105.07037	1.3
107.04964	0.5
107.08619	0.5
109.06512	0.3
109.10139	0.4
111.08090	0.5
112.47837	0.3
116.44392	0.2
119.08588	1.2
121.10170	0.4
129.07013	0.6
131.08568	0.6
133.10143	0.4
147.11700	0.7
157.10033	0.4
175.11191	0.5
193.12247	1.1
245.20074	0.3
245.88269	0.3
251.12543	8.2
269.12350	0.4
285.17041	1.0
294.21487	0.3
307.15161	6.5
517.28296	0.3
535.28766	100.0
536.29132	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	536.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01283	0.2
53.03959	0.3
56.79123	0.2
57.03437	1.0
60.04517	0.2
61.02929	1.2
67.05498	0.1
69.03430	3.4
69.67326	0.6
69.67755	0.5
70.02956	7.5
71.04978	0.5
73.02907	0.6
75.06379	0.2
81.03423	1.5
85.02906	9.4
86.06048	0.3
87.04463	0.9
88.07657	0.4
91.03936	0.5
95.04961	0.4
97.02896	2.7
97.06513	0.5
98.21580	0.2
98.50544	0.2
99.04454	0.6
101.66161	0.2
107.04948	0.6
109.02881	1.3
114.05533	6.7
125.01527	0.2
127.03918	2.0
129.01035	0.2
138.99458	7.6
145.04959	1.2
151.03903	23.8
153.06996	0.2
156.05515	0.2
163.05414	0.2
165.00974	0.3
165.05484	0.4
165.06932	0.2
168.05710	0.5
176.06239	0.3
181.06464	1.3
187.42729	0.2
192.05704	3.6
195.08003	0.3
196.08818	1.2
199.03087	15.8
200.03404	0.2
209.05942	0.5
209.07915	0.2
216.03316	0.4
220.05186	19.8
224.08302	1.6
227.02583	11.7
227.05910	0.2
228.03156	0.2
231.05573	0.3
244.02885	0.9
245.03563	0.2
247.05322	0.2
252.07817	0.2
255.02077	24.5
256.02618	0.2
259.05231	3.0
270.04428	0.3
271.05176	0.5
272.02301	1.4
273.03165	0.4
287.04684	78.5
288.04993	0.7
296.04773	0.5
311.04562	0.2
374.11530	100.0
375.11917	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	536.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.5
61.02915	0.7
69.03428	2.7
69.30054	1.8
70.02954	7.7
71.04980	0.3
72.04510	0.2
73.02898	0.4
81.03406	0.8
84.08123	0.2
84.17092	0.2
85.02906	5.3
86.06067	0.3
87.04462	0.6
88.07623	0.3
91.03948	0.4
95.04970	0.2
97.02883	1.9
99.04467	0.6
107.04947	0.3
109.02862	0.4
114.05529	6.9
125.01540	0.4
127.03909	1.7
129.00996	0.2
136.01518	0.2
138.99457	8.8
139.00555	0.4
141.05452	0.3
145.04958	0.8
151.03902	25.7
163.05458	0.2
165.01045	0.4
168.05713	0.2
176.06224	0.4
181.06425	1.1
192.05687	3.2
195.08136	0.2
196.08842	1.6
199.03085	16.1
208.05302	0.2
209.05977	0.6
216.03436	0.4
220.05182	22.0
221.05588	0.3
224.08293	1.5
227.02573	14.0
228.03246	0.3
231.05710	0.3
235.07611	0.3
244.02864	1.2
247.05133	0.3
252.07622	0.2
255.02065	24.3
256.02661	0.5
259.05176	2.9
271.05273	0.3
272.02307	1.2
273.03162	0.3
287.04678	71.6
288.05206	0.5
289.04462	0.3
296.04700	0.3
329.05536	0.2
374.11523	100.0
375.11862	0.9
395.35126	0.2
536.16699	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	536.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01874	0.5
57.03426	0.8
59.04991	0.4
61.02927	1.3
69.03429	4.1
69.68188	1.1
70.02954	9.2
71.04990	0.4
71.05814	0.2
73.02911	0.6
81.03415	1.6
85.02906	10.6
85.75504	0.2
86.06066	0.3
87.04472	0.7
88.07609	0.5
91.03976	0.5
95.04972	0.4
97.02885	3.3
97.06516	0.3
99.04427	0.6
107.04955	0.6
109.02867	1.4
114.05529	7.7
119.01321	0.3
125.01542	0.3
127.03909	2.4
129.01070	0.3
138.99457	10.4
141.05473	0.5
145.04953	1.2
151.03903	30.9
152.04150	0.2
152.06236	0.2
152.28677	0.2
163.03831	0.2
163.05347	0.2
165.01076	0.2
165.05530	0.4
165.06879	0.2
168.05722	0.4
176.06250	0.3
181.06514	1.0
192.01707	0.2
192.05688	3.7
195.08081	0.2
196.08842	1.6
199.03091	19.6
200.03491	0.2
208.05247	0.2
209.05965	0.3
216.03473	0.4
220.05193	24.3
221.05672	0.2
224.08304	1.6
227.02585	15.6
228.03227	0.4
231.05737	0.6
235.07645	0.3
244.02858	1.2
247.05150	0.4
252.07858	0.3
255.02074	30.0
256.02451	0.2
257.82336	0.2
259.05249	3.8
270.04410	0.3
271.05066	0.3
272.02362	1.6
273.03067	0.3
287.04684	84.2
288.05060	0.5
296.04779	0.7
374.11530	100.0
375.11841	1.1
536.57196	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	536.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05511	0.6
56.05040	0.5
57.03426	0.5
66.72419	0.5
67.05506	0.8
69.03421	1.6
69.86144	2.2
70.06583	1.4
70.06947	0.5
70.73989	0.4
72.08143	0.7
73.02896	0.6
79.05506	3.0
81.03419	0.7
81.07040	1.6
84.08118	0.9
85.02905	2.3
86.09708	0.7
91.05479	2.0
94.06569	1.4
95.04964	1.6
96.08128	3.7
97.02891	0.9
97.08910	2.2
98.09689	3.3
99.84241	0.4
105.07045	0.6
106.06566	0.8
107.04961	3.0
108.08165	0.5
109.02876	1.2
113.02401	0.7
115.05478	1.5
117.07016	1.1
120.04493	1.2
120.08117	2.6
121.06499	0.9
123.04426	0.7
123.96539	0.5
124.07585	0.6
129.04500	6.4
129.07048	0.5
130.02892	1.9
130.03918	0.7
130.06549	0.6
131.04933	0.6
131.07286	0.5
132.04437	1.3
132.08076	2.5
133.08891	1.4
134.09682	0.9
135.04431	3.1
137.05952	0.9
139.03958	0.8
145.06497	0.8
146.02376	1.8
146.06046	0.6
146.09659	0.8
147.05519	7.5
147.06558	0.6
147.10393	0.9
149.06056	0.8
150.09166	0.7
151.03906	1.4
153.05470	2.2
156.08031	0.6
157.08778	0.5
158.09738	0.8
159.02954	0.6
159.04274	0.7
159.05528	7.9
159.06760	0.7
160.07594	7.6
160.11217	2.4
161.06004	0.6
162.09138	1.3
162.11533	1.4
162.94667	0.5
163.11914	0.6
164.07108	1.2
165.05515	3.5
165.06862	0.9
167.07080	3.1
170.09639	1.3
172.11235	0.7
173.04492	3.3
174.09097	0.8
175.12352	0.9
176.13013	1.8
177.05344	0.5
177.06638	5.4
177.13588	0.8
179.08528	0.7
182.09677	0.8
184.07541	0.6
184.11244	1.8
187.05034	6.1
190.08591	1.5
192.10181	3.6
194.09659	1.3
194.11678	0.5
195.07899	0.5
196.11218	0.9
198.09088	1.1
198.12769	2.4
200.14354	0.6
204.06593	0.6
207.10429	0.7
208.11270	1.3
210.12845	0.9
212.10692	2.1
212.14323	0.6
222.09244	1.1
222.12865	2.1
224.10767	0.9
225.11478	1.0
226.12248	3.5
236.10736	0.5
238.12350	1.2
240.10257	1.0
240.13843	2.7
244.13431	1.0
250.12344	1.8
252.09656	1.0
254.11710	1.0
256.13394	1.5
258.14951	0.6
262.08551	0.6
268.13290	5.8
272.16656	1.3
278.11783	1.0
282.14859	0.6
285.10046	0.7
289.09933	0.8
296.12918	1.8
300.15945	2.7
303.16971	1.3
304.17307	2.7
317.09354	1.0
325.09161	5.6
328.15427	4.6
335.10248	5.0
339.10669	2.7
343.10321	1.0
349.11856	2.1
350.16104	0.6
354.22449	0.6
372.17270	0.8
414.18091	2.2
416.16129	1.3
420.27103	0.6
442.17828	0.9
446.20776	2.5
457.09460	0.5
474.20282	6.4
486.16708	0.7
492.21167	1.4
536.20288	100.0
537.20795	2.9
537.28137	0.5
544.43585	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	536.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01865	3.0
55.05505	2.9
57.03428	5.2
59.05000	32.0
65.03960	1.9
66.11054	1.5
67.05507	14.6
69.03428	6.4
69.07053	8.6
70.06603	3.0
70.08599	7.4
71.01374	2.1
71.04982	5.1
73.02912	27.2
74.72519	1.6
79.05494	18.3
81.03427	5.1
81.07054	13.5
83.01344	1.5
83.04984	3.4
83.08639	1.7
85.02898	13.2
85.06569	8.5
85.07023	1.5
91.05475	16.9
93.07043	7.9
95.04963	27.7
95.08602	5.7
97.02899	5.4
97.06527	43.1
99.04472	3.2
103.03943	2.5
103.05458	6.9
105.03417	2.0
105.07047	4.0
107.04952	100.0
107.08616	4.2
109.02870	16.7
109.06531	13.2
109.10155	3.6
111.04453	4.0
115.07579	2.0
117.07082	2.8
119.04955	5.1
119.08572	5.3
121.06493	8.5
121.10162	3.4
123.04431	6.4
123.11737	2.0
125.02364	4.9
127.03951	3.7
129.05478	1.6
131.04950	4.8
133.02876	5.3
133.10146	2.2
135.04430	4.7
135.11707	2.9
137.05952	7.7
137.13214	1.7
138.99434	1.7
139.03885	10.5
140.09755	1.7
147.04407	6.6
149.05981	11.7
149.09593	1.9
151.03915	22.4
151.07532	2.4
153.05489	3.9
155.03328	2.0
159.08044	2.6
161.06000	1.7
163.03920	9.0
163.11198	1.6
165.05472	70.7
165.09232	2.1
167.05675	3.3
167.07042	13.2
171.08038	2.3
175.03981	3.7
177.05464	16.2
179.07112	3.1
185.09508	1.7
189.09120	3.7
191.07024	10.6
192.33778	1.5
193.05031	4.9
193.10109	2.4
195.06461	8.9
199.07571	2.5
207.06538	5.3
207.17374	1.9
209.08040	11.7
209.09642	1.5
213.09091	1.8
215.06979	3.0
220.05197	3.0
225.07559	4.7
225.18442	3.1
227.09158	3.4
241.12236	2.1
259.09680	5.1
269.11667	3.1
277.10605	1.8
285.14825	2.3
287.04626	2.0
287.12796	23.7
299.06122	3.0
303.15854	3.4
313.14304	2.6
314.68607	1.6
320.26529	1.6
327.15799	1.9
329.13913	1.8
331.15430	3.6
338.27722	4.0
344.16055	1.9
355.15295	3.3
358.91888	1.6
373.16574	7.3
374.11594	4.8
376.11716	2.2
501.21088	1.9
519.22168	6.8
536.20807	2.4
536.29370	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	536.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83781	0.4
53.03938	0.8
53.86903	0.3
55.01871	2.3
55.05493	0.6
57.03176	0.4
57.03434	5.2
59.04989	1.0
60.95145	0.3
61.02926	3.4
63.40765	0.3
67.05495	1.3
69.03427	9.3
70.06583	2.3
71.01344	0.9
71.04984	0.9
72.08144	0.7
73.02914	16.8
79.05488	1.4
79.14276	0.3
81.03415	2.5
81.07039	1.3
83.04992	2.6
84.04498	0.5
84.08143	1.3
85.02905	19.1
85.06519	0.4
86.09706	1.5
86.97218	0.4
87.04453	0.8
90.70630	0.4
90.92215	0.4
91.03939	0.4
91.05457	0.6
93.07034	1.2
95.04956	1.9
95.08614	2.4
97.02892	13.3
97.06525	1.5
98.20829	1.0
98.97569	0.6
99.04450	1.1
99.08101	0.8
102.05507	0.4
103.03936	0.8
105.07021	1.1
107.04950	1.2
107.08614	1.1
109.02870	2.7
109.06509	2.7
109.10143	0.4
111.04482	0.9
111.08082	0.5
115.03931	5.4
119.08575	1.3
120.08109	1.0
121.06516	0.9
121.10151	4.1
123.08064	100.0
124.08406	0.8
127.03917	6.0
129.10257	0.6
131.04919	0.5
131.08551	0.4
133.04961	6.7
135.04433	0.5
135.11691	0.6
136.07520	0.5
137.05957	0.8
137.09621	1.0
145.04953	5.9
145.10141	0.8
147.04431	0.4
147.08000	0.4
147.11664	1.0
149.01093	0.4
149.05881	0.4
149.09610	2.8
151.03888	0.5
151.07619	0.5
151.11191	1.0
154.06108	0.4
161.13264	0.6
163.06018	3.1
163.11200	1.2
165.05518	0.5
165.12843	0.4
167.07004	0.9
167.10696	1.4
177.05486	0.8
181.12227	13.8
189.12749	0.8
190.14690	0.6
191.14703	0.5
207.10240	0.5
207.13788	5.3
216.15880	0.5
223.06024	1.5
225.14848	29.0
226.15193	0.5
241.07086	1.6
243.14989	0.5
259.08029	2.4
271.14352	2.1
272.14743	2.4
277.09097	0.4
295.10397	0.5
303.17017	1.0
304.17535	1.7
309.29376	0.4
321.17038	0.6
325.12228	0.4
333.11960	0.9
357.19122	0.7
374.16614	0.3
374.21652	1.1
491.65869	0.4
493.33545	0.4
536.27161	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83781	0.4
53.03938	0.8
53.86903	0.3
55.01871	2.3
55.05493	0.6
57.03176	0.4
57.03434	5.2
59.04989	1.0
60.95145	0.3
61.02926	3.4
63.40765	0.3
67.05495	1.3
69.03427	9.3
70.06583	2.3
71.01344	0.9
71.04984	0.9
72.08144	0.7
73.02914	16.8
79.05488	1.4
79.14276	0.3
81.03415	2.5
81.07039	1.3
83.04992	2.6
84.04498	0.5
84.08143	1.3
85.02905	19.1
85.06519	0.4
86.09706	1.5
86.97218	0.4
87.04453	0.8
90.70630	0.4
90.92215	0.4
91.03939	0.4
91.05457	0.6
93.07034	1.2
95.04956	1.9
95.08614	2.4
97.02892	13.3
97.06525	1.5
98.20829	1.0
98.97569	0.6
99.04450	1.1
99.08101	0.8
102.05507	0.4
103.03936	0.8
105.07021	1.1
107.04950	1.2
107.08614	1.1
109.02870	2.7
109.06509	2.7
109.10143	0.4
111.04482	0.9
111.08082	0.5
115.03931	5.4
119.08575	1.3
120.08109	1.0
121.06516	0.9
121.10151	4.1
123.08064	100.0
124.08406	0.8
127.03917	6.0
129.10257	0.6
131.04919	0.5
131.08551	0.4
133.04961	6.7
135.04433	0.5
135.11691	0.6
136.07520	0.5
137.05957	0.8
137.09621	1.0
145.04953	5.9
145.10141	0.8
147.04431	0.4
147.08000	0.4
147.11664	1.0
149.01093	0.4
149.05881	0.4
149.09610	2.8
151.03888	0.5
151.07619	0.5
151.11191	1.0
154.06108	0.4
161.13264	0.6
163.06018	3.1
163.11200	1.2
165.05518	0.5
165.12843	0.4
167.07004	0.9
167.10696	1.4
177.05486	0.8
181.12227	13.8
189.12749	0.8
190.14690	0.6
191.14703	0.5
207.10240	0.5
207.13788	5.3
216.15880	0.5
223.06024	1.5
225.14848	29.0
226.15193	0.5
241.07086	1.6
243.14989	0.5
259.08029	2.4
271.14352	2.1
272.14743	2.4
277.09097	0.4
295.10397	0.5
303.17017	1.0
304.17535	1.7
309.29376	0.4
321.17038	0.6
325.12228	0.4
333.11960	0.9
357.19122	0.7
374.16614	0.3
374.21652	1.1
491.65869	0.4
493.33545	0.4
536.27161	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
53.83228	3.4
55.01876	4.2
55.05502	16.0
57.03437	3.7
57.07071	6.4
60.32190	3.6
67.05505	28.3
69.07069	34.4
70.83984	8.6
70.84321	3.3
71.05005	3.8
71.08654	4.3
72.27454	4.1
79.05499	36.0
81.03428	4.7
81.07048	28.7
83.04994	5.4
83.08624	10.9
91.05463	23.5
93.07053	35.5
95.04975	19.3
95.08605	30.7
97.06517	6.3
97.10160	8.2
105.07020	26.2
107.04939	18.7
107.08611	26.9
108.54897	3.1
109.10157	7.5
117.07003	9.6
119.08575	22.3
121.10155	12.5
123.07958	4.6
131.08563	10.6
133.10152	14.5
135.08040	16.0
135.11694	15.5
139.11177	8.6
145.10115	13.0
147.11758	6.3
149.09627	3.8
163.11212	15.4
184.07375	16.4
203.12801	13.9
207.85266	3.9
211.13272	5.8
227.12769	51.5
233.83290	3.3
237.14886	14.5
252.61298	3.5
257.19031	5.6
275.20050	100.0
293.21057	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01854	3.5
55.05512	2.1
56.96542	2.7
57.03426	3.3
59.04990	7.2
61.02911	5.0
65.03939	1.8
67.05498	6.1
69.03430	15.8
70.06583	7.3
71.01350	2.5
71.04974	2.6
71.49014	1.4
72.08139	1.8
73.02901	2.8
78.54385	1.5
79.01845	1.6
79.05487	25.6
81.03404	8.7
81.07043	4.4
83.01340	1.4
83.04968	3.1
84.04475	2.0
84.08121	6.5
85.02453	2.3
85.02913	24.5
86.09698	3.7
91.05484	10.3
93.07041	10.4
95.01324	1.8
95.04966	35.1
97.02908	9.1
97.06531	2.0
98.97563	2.1
99.04463	3.0
103.03946	11.9
103.05470	9.9
105.07038	3.5
107.04955	98.0
107.08599	1.7
108.05275	1.7
109.02876	64.3
109.03621	3.3
109.06522	9.2
111.04435	4.1
119.04868	1.5
120.08088	21.6
121.06505	18.2
123.00826	1.9
123.04422	12.7
125.02342	6.3
125.05949	2.5
127.03910	3.7
129.10271	2.9
129.48125	1.4
131.03404	3.8
131.04926	8.7
133.02798	3.1
133.06429	2.2
135.04414	100.0
136.07532	1.7
137.05995	11.1
138.05502	1.6
138.09155	6.2
139.03893	27.6
139.07513	2.2
142.14511	1.4
145.04945	3.9
147.04439	1.9
149.04483	5.5
149.05962	29.0
151.03902	38.5
153.05469	25.9
155.12567	1.5
159.02881	3.3
159.04391	4.6
163.03896	3.3
165.05469	62.9
167.07042	28.0
173.04475	13.9
174.09134	2.8
175.07587	1.4
177.04094	3.0
177.05467	68.9
181.08575	1.8
188.10699	1.7
191.07010	5.2
191.14258	2.7
192.12558	6.8
195.06529	41.7
202.08527	1.6
203.07159	1.6
209.08070	39.7
213.04150	2.4
227.09137	4.3
231.98224	1.5
237.02994	1.7
253.07208	2.7
261.15894	3.0
261.80655	1.7
269.03210	1.6
270.77921	1.8
273.12497	2.1
279.08432	1.8
287.04498	2.2
287.13846	10.4
305.14877	4.7
307.08063	4.5
311.04242	3.3
325.09128	29.4
329.11249	4.7
330.78357	1.4
339.10675	4.7
341.67334	1.5
343.10190	7.1
347.12466	4.8
357.10785	5.7
375.11819	27.7
375.19214	2.6
509.17856	1.7
537.16833	2.6
537.25153	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	537.1816
Annotation	Ro 4927350
Peak:m/z	Relative Intensity
53.03946	5.5
55.01873	5.5
56.91903	2.7
56.96554	4.5
57.03411	3.1
59.05004	8.5
61.02925	3.7
61.05379	2.8
64.89997	2.4
67.05511	7.7
69.03439	16.9
69.64413	2.4
70.06593	8.3
70.74287	9.1
71.01344	4.0
71.04993	2.5
72.08157	4.5
78.48933	2.6
79.05492	28.0
81.03410	7.8
81.07051	4.8
83.04964	5.2
84.08138	5.6
85.02905	22.1
86.09690	3.7
87.04489	5.1
91.05473	7.4
93.07030	10.2
95.04968	35.0
95.26703	2.9
97.02882	9.6
97.06533	6.0
101.02391	2.5
103.03934	9.5
103.05489	12.3
105.03426	3.1
105.07081	2.6
107.04227	5.2
107.04955	100.0
107.08653	3.1
109.02879	54.1
109.06536	8.9
111.04476	3.8
114.68985	3.0
120.08077	15.4
121.06528	19.5
123.04424	14.7
125.02358	8.6
125.06007	6.0
127.03893	7.9
131.04930	4.9
133.07558	2.8
135.04414	92.6
136.07596	2.7
137.05983	9.6
138.09163	4.5
139.03902	23.8
146.49747	3.3
147.04420	3.1
149.04706	4.0
149.05972	32.0
151.03900	40.6
153.05472	23.9
157.05028	3.0
159.02895	3.5
159.04451	4.0
163.07422	2.9
165.05478	64.6
165.06761	5.2
167.07039	25.0
173.04486	11.7
177.03947	5.3
177.05466	67.2
177.06932	5.9
191.07045	5.2
191.14397	4.3
192.12529	4.8
195.06519	37.9
209.08063	39.2
213.27899	3.0
224.17422	2.7
227.09279	4.9
244.50305	3.0
253.07417	2.8
287.04523	3.7
287.13840	10.2
297.09695	4.5
305.14896	4.5
311.04495	5.0
325.09198	24.0
343.10205	9.8
357.11060	3.9
375.11975	9.7
375.19339	4.5
537.17090	6.8
537.19666	4.0
537.24872	16.2
544.92291	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	537.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84901	1.1
61.02952	2.1
65.03944	5.6
67.05502	2.1
69.03419	4.2
70.06588	1.8
71.48853	1.3
76.02232	1.8
79.05483	1.6
81.03413	3.3
84.04484	1.8
84.08161	1.2
85.02917	7.3
86.09689	2.2
91.05482	1.3
92.05013	2.1
93.07054	1.7
94.06567	3.6
95.04939	1.4
95.07375	1.4
96.08149	3.6
97.02924	3.0
101.16368	1.0
103.05470	1.4
106.06601	1.2
107.04987	1.7
108.08130	7.7
109.02857	1.9
109.47732	1.0
110.09676	7.6
116.04954	1.6
118.31520	1.2
120.04462	6.9
120.08121	7.0
122.06030	4.9
124.07630	2.4
131.04965	1.3
134.05972	1.4
136.07573	8.8
137.05986	3.1
138.05580	1.3
138.09119	7.4
139.03975	1.5
144.04457	7.0
148.03931	100.0
148.07562	2.1
162.02219	1.4
162.05508	7.9
163.07570	3.0
166.03586	2.1
166.04999	35.1
166.07245	1.8
166.08646	19.5
172.03947	40.8
175.07578	1.2
179.04878	2.1
184.09805	1.2
190.05009	10.1
199.12321	1.9
204.06567	79.9
205.06862	1.2
222.07620	1.6
227.11691	2.3
229.13431	1.1
231.27806	1.2
251.11732	1.3
255.11316	18.0
273.12341	16.9
283.10757	16.7
301.11829	80.5
309.09332	1.4
319.12842	4.8
325.11807	3.4
339.13486	1.7
342.63187	1.3
343.12906	59.0
357.14456	17.4
375.15317	4.1
505.86182	1.8
526.82947	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	537.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38759	0.9
55.01864	1.6
55.05489	1.3
56.05033	0.9
56.96540	1.3
57.03403	1.4
61.02911	1.3
67.05493	2.5
69.03423	7.7
69.07050	1.9
69.53158	3.9
69.53582	3.6
70.06599	6.6
72.08153	2.1
73.02922	1.9
79.05468	5.2
80.04980	1.7
81.03399	2.3
81.07036	3.7
82.06588	1.9
83.04976	1.6
84.04490	1.8
84.08125	2.7
85.02905	7.3
86.09714	5.4
91.05467	8.1
92.41953	0.9
93.07050	6.8
94.04201	1.2
94.06039	1.1
94.06554	6.1
95.04954	2.6
95.07339	4.7
95.08614	2.7
96.08122	13.4
97.02871	3.8
97.06512	2.4
98.09680	2.0
98.97564	3.2
100.97310	1.0
103.05457	2.8
105.06990	2.5
107.04958	2.6
107.08588	2.8
108.08123	6.9
109.06499	1.3
110.09680	23.8
110.17248	1.0
111.82026	1.0
115.05466	2.3
116.98603	2.3
117.07010	1.5
118.06565	4.8
119.04932	3.4
119.08545	1.2
120.04478	1.4
120.08100	18.9
121.06506	3.1
121.08482	1.2
122.03670	1.4
123.08076	4.0
124.07565	1.3
129.04453	3.0
129.06964	1.3
131.04871	2.8
133.10158	3.3
135.08044	2.2
136.07597	11.9
137.05981	23.6
138.09134	31.5
144.04402	1.4
145.06476	1.5
146.06003	21.2
147.05501	3.0
148.03900	3.9
148.05865	1.1
148.07564	5.8
151.03976	1.6
151.07539	17.5
154.08621	1.3
159.05562	2.9
160.05951	1.8
160.07549	2.9
161.05991	3.1
163.07504	2.1
164.07045	2.1
166.08638	100.0
167.07040	2.6
167.10533	1.0
172.11301	1.1
175.07556	2.1
177.00763	1.7
177.06665	2.5
177.09012	1.6
178.08617	4.4
187.04988	3.0
187.07535	1.2
188.05234	1.4
190.04962	4.5
191.14354	2.5
192.10260	1.2
195.10173	21.1
204.06592	1.4
209.15379	2.9
210.15672	2.3
214.08551	3.3
219.01633	1.0
222.07574	5.2
229.13287	2.2
240.13887	1.0
253.13272	1.2
257.12949	6.7
268.13016	1.2
269.13620	2.1
271.10147	6.5
281.08170	1.6
281.12845	3.9
286.10663	6.3
287.05453	1.3
288.05701	1.3
290.09805	1.1
299.13870	39.7
309.11182	1.7
311.12766	2.6
317.13910	2.2
328.15396	1.7
329.15643	1.6
331.16479	2.2
336.10651	2.5
339.12778	2.0
343.12820	2.4
355.15384	5.5
357.14044	4.1
358.14392	1.4
375.15430	21.0
377.14929	1.1
395.22195	1.2
447.21014	2.2
475.20221	2.3
493.21017	1.2
505.18198	1.3
537.20502	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	537.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
54.15324	0.5
55.01833	0.6
55.05481	1.5
56.05002	0.9
56.96533	1.0
57.03410	2.0
60.04507	0.7
61.02888	1.8
67.05476	2.0
69.03436	4.0
70.06582	4.0
71.04961	1.7
71.49342	0.7
71.50724	0.5
72.08157	4.0
73.02906	1.3
75.04471	0.6
79.05483	2.6
81.03420	2.7
81.07034	0.8
82.06531	0.7
83.04954	1.6
84.04485	0.9
84.08150	10.6
85.02906	6.0
86.09670	1.8
87.04450	0.8
87.05587	0.8
91.05463	1.7
93.07007	1.6
94.06539	0.9
95.04966	3.6
95.08574	1.0
96.08103	1.0
97.02895	3.3
98.97572	1.2
99.04463	0.7
101.04211	0.7
103.05445	1.4
105.07009	0.8
107.04954	6.2
107.08539	0.6
108.08080	0.6
109.02891	2.7
110.06031	1.3
110.07148	0.6
111.04400	1.4
113.05956	1.6
114.09188	1.1
116.98551	0.8
119.01826	0.6
119.04935	0.9
119.08569	0.6
120.08099	2.9
121.06453	1.3
121.10191	0.5
122.08382	0.7
125.02378	0.6
127.03897	1.8
129.10223	0.6
131.04924	0.9
131.07030	1.7
133.10097	0.8
133.77289	0.7
134.09598	0.6
135.04420	6.3
135.09142	1.4
136.07596	0.6
136.09941	1.3
137.05988	6.3
138.05464	1.1
138.09102	2.6
139.03889	1.4
145.04953	1.1
146.09627	0.7
147.04355	1.4
148.09967	0.9
149.01239	0.9
149.05960	2.2
149.10732	1.3
151.03868	2.2
151.08649	7.9
153.05441	1.4
156.03607	1.3
158.99391	0.6
159.11255	3.1
162.09215	0.6
163.03879	2.6
163.07385	1.0
163.12325	1.2
164.09454	1.5
165.05437	2.3
165.10225	1.5
166.05026	0.7
167.07010	2.1
168.06583	0.7
174.09241	0.6
175.12305	1.3
177.04019	1.2
177.05469	2.7
179.07079	1.0
180.07388	0.6
185.10674	0.7
186.11420	0.6
191.06934	0.8
191.11786	4.7
192.12582	46.0
193.12938	0.8
195.06573	3.5
205.13277	1.2
209.08044	2.5
215.15434	0.8
217.09590	0.5
231.14880	3.5
233.16457	1.7
237.02914	0.6
241.13103	0.7
243.15005	3.1
252.09369	1.0
259.14432	18.5
260.14777	0.6
261.15985	34.7
262.16257	1.1
263.07303	2.8
266.07285	1.0
270.09906	0.7
287.13910	75.5
288.10831	2.0
288.14243	1.8
303.20572	0.7
305.14966	37.4
306.15405	1.7
313.19125	2.3
324.11383	2.2
324.61850	0.9
328.08133	0.9
329.18542	1.3
331.20135	1.8
333.12073	3.5
333.62201	1.1
342.12665	1.6
347.15918	1.2
347.45343	0.6
351.09903	0.9
351.14008	6.4
357.18155	7.0
362.10388	0.7
369.10901	0.8
370.11432	0.8
375.19177	13.5
439.11230	0.6
448.20593	1.0
501.15094	0.8
519.16010	2.0
537.17798	3.9
537.24463	100.0
538.17773	0.7
538.24866	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	537.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01835	0.4
55.05485	0.6
59.04957	0.5
62.39769	0.3
67.05474	0.6
69.03392	0.9
70.06541	1.5
71.04945	0.5
71.49107	0.5
72.08135	0.5
73.02881	0.4
79.05486	1.8
81.03414	1.0
81.07027	0.4
82.06569	0.8
83.04974	0.7
84.04447	0.5
84.08084	1.2
85.02909	2.0
86.09668	1.1
88.80207	0.3
91.05468	0.9
93.07002	0.5
95.04916	1.6
95.08558	0.6
97.02861	0.9
97.06493	0.4
98.97555	0.5
103.03927	0.6
103.05442	0.9
105.07014	0.4
107.04343	0.5
107.04952	5.8
109.02874	3.8
109.06470	0.4
113.05984	0.5
120.08086	1.1
121.06450	1.2
123.04408	0.9
127.03856	0.7
131.04884	0.9
133.02806	0.5
135.04417	5.0
137.05956	0.5
139.03893	1.9
149.05969	1.8
151.03900	2.0
153.05432	1.7
161.10680	0.5
163.12236	0.4
165.05518	3.9
165.13887	7.6
167.06976	1.9
168.99585	0.4
173.04454	0.7
175.12366	0.4
177.04335	0.3
177.05467	3.6
177.13884	0.7
183.69638	0.4
187.12276	0.6
191.15492	0.7
195.06563	2.7
201.10201	1.6
201.13750	0.5
203.15445	0.6
209.08081	2.6
215.15436	39.4
216.16087	1.6
217.16924	1.1
227.09180	0.8
227.15413	1.5
243.14984	0.9
244.15685	3.2
245.20192	2.9
261.16019	0.5
271.21481	0.8
272.15176	8.0
273.19611	1.5
275.17596	1.0
287.17786	0.3
287.21048	1.7
299.21298	1.2
304.17755	0.8
315.20627	4.6
325.09299	1.0
343.20175	14.6
347.23276	8.2
348.23825	0.6
359.38498	0.4
373.21249	1.9
375.22787	57.5
376.23294	1.1
537.28094	100.0
538.28448	2.2
544.97504	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	537.3036
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
85.32111	0.4
88.66823	0.3
106.32623	0.3
116.96354	0.4
180.17506	0.3
185.04230	0.4
203.05237	0.8
209.44756	0.3
275.47995	0.3
361.78708	0.4
491.90610	0.4
513.97852	0.4
537.30371	100.0
538.30682	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	537.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	3.9
53.03932	2.6
53.21189	0.7
55.01873	4.6
55.05508	25.5
57.03431	1.5
57.07074	50.6
59.04995	2.2
63.64880	0.8
65.03935	0.8
67.05503	34.5
69.03431	2.5
69.07069	12.6
71.01348	2.2
71.04991	1.5
71.08627	35.3
73.02905	1.0
73.22006	0.8
78.81560	0.8
79.05489	13.9
81.03420	4.9
81.07055	38.2
83.04981	2.9
83.08613	27.2
83.17434	0.7
83.30667	0.7
85.06533	2.3
85.10181	18.8
91.05476	27.2
93.07043	14.8
95.04968	6.1
95.08605	32.4
97.02887	4.2
97.06531	3.2
97.10172	8.7
98.21523	2.1
99.00815	16.2
99.08128	0.9
99.11729	1.8
103.05471	1.0
104.32365	0.7
105.04497	1.1
105.07027	19.9
107.04970	5.4
107.08578	11.2
109.02866	10.5
109.06535	2.8
109.10147	21.2
111.04460	1.3
111.08080	3.0
111.11726	2.6
115.03922	2.5
117.07012	4.1
119.04977	1.2
119.08569	9.2
121.06509	6.9
121.10168	2.0
123.04431	1.7
123.08054	1.4
123.11707	8.4
125.13233	1.0
127.03909	2.8
128.06224	2.3
129.06995	1.1
131.08583	2.5
133.06490	1.8
133.10130	34.2
135.08061	1.4
135.11691	2.7
137.06007	1.6
137.09691	0.9
137.13228	2.6
139.07573	2.5
139.14845	1.1
143.08537	4.4
145.06508	1.2
145.10100	1.1
146.07216	1.0
147.04420	1.0
147.08069	1.8
151.11191	12.4
151.14728	1.1
159.07971	0.8
161.09612	17.4
163.11172	2.3
165.09117	1.1
171.08029	3.6
179.10666	14.0
189.09106	11.3
197.11815	4.2
207.10178	6.0
209.11794	1.0
221.22617	1.9
225.11194	20.3
239.23706	10.1
243.12305	4.9
274.45163	0.8
281.13901	6.7
313.27399	2.3
373.33667	0.7
382.07266	0.8
466.37054	0.8
466.46078	0.8
519.37128	1.0
537.37848	100.0
538.37976	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59022	0.4
55.01866	1.4
55.05505	1.2
57.03437	2.9
57.07059	1.0
57.37090	0.5
59.04995	1.0
60.68307	0.5
61.02926	2.9
67.05492	1.7
69.03435	6.6
69.07062	3.1
69.94680	2.7
70.06575	1.8
71.01350	0.9
71.04972	1.2
72.08135	1.1
73.02525	0.8
73.02910	10.8
79.05478	1.7
81.03381	0.7
81.07054	10.2
83.04974	0.9
84.08101	0.6
85.02905	16.0
86.09679	0.8
87.04472	8.6
91.03942	0.9
91.05467	2.4
93.07042	8.1
95.04968	3.0
95.08624	3.0
97.02892	10.5
97.06528	0.6
99.04433	1.1
105.05483	0.8
105.07050	2.8
107.04961	1.2
107.08582	3.8
109.02863	1.7
109.06501	3.0
109.10149	1.9
111.11703	1.5
115.03929	3.8
119.08598	1.4
120.08088	1.7
121.10143	23.5
122.89732	0.5
123.08069	1.9
123.11700	54.0
125.09599	0.6
127.03928	4.1
129.10205	0.5
131.08546	0.7
132.47334	0.6
133.04955	4.8
133.10097	2.1
135.04384	0.7
137.05980	0.6
137.09570	0.7
138.09100	1.8
139.03894	0.5
139.09465	1.4
139.11177	2.3
145.04955	4.7
145.10184	0.5
147.11678	9.1
149.08435	0.9
149.09613	15.2
149.13341	0.8
151.11174	23.6
153.09091	2.2
163.03879	1.5
163.06021	2.1
165.12764	9.6
167.10674	57.9
173.13239	1.1
177.05499	0.7
181.12119	0.6
183.13776	1.4
191.14285	2.2
209.15361	10.2
223.06151	0.8
227.16408	100.0
228.16704	0.7
241.06960	1.2
259.08145	1.6
330.15259	0.6
348.16275	1.1
376.15475	1.0
471.14066	0.6
489.14679	0.7
538.26337	1.0
539.18768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.1
55.05511	3.4
56.05035	1.9
56.96560	0.9
57.03445	4.1
59.05017	2.0
60.15942	0.8
60.39939	0.8
61.02925	1.7
66.59229	0.9
67.05499	3.6
69.03434	6.2
69.07063	5.4
69.71181	3.2
69.71590	1.8
70.06601	4.6
71.04992	1.4
72.08148	1.5
73.02915	6.1
79.05498	13.6
81.03418	2.0
81.07055	20.5
82.06569	1.0
83.04989	1.0
83.08648	1.6
84.08141	2.6
85.02899	9.8
86.09711	5.2
91.05461	5.6
93.07049	9.4
95.04977	2.6
95.08611	6.8
97.02892	5.0
97.06556	3.8
98.97559	2.0
105.07025	7.3
107.08595	56.0
109.06509	4.4
109.10148	4.2
110.97543	0.9
115.03945	2.5
115.07613	1.8
116.98604	1.4
117.07037	1.0
119.08576	5.1
120.08057	1.5
121.06511	1.8
121.10146	18.0
123.08073	4.5
123.11728	0.9
125.09650	3.7
127.03903	2.4
128.98572	1.5
129.10258	1.6
131.08524	1.4
133.04967	2.5
133.10139	10.1
135.08049	1.0
135.11658	4.9
135.21399	1.0
137.05977	1.5
137.09621	3.8
137.13239	1.0
139.11143	1.1
145.04945	3.2
145.10101	1.3
147.11707	2.2
149.13249	2.8
151.11180	1.3
161.13261	17.0
163.06084	0.9
163.14844	5.8
170.99713	0.9
173.13271	2.6
175.14793	2.2
179.14311	100.0
180.14644	1.5
189.00801	1.0
191.12535	1.2
191.14302	18.9
192.14626	1.4
193.15872	4.3
209.15347	19.2
209.17171	1.5
233.15331	0.9
237.02853	2.0
249.02721	1.1
259.08099	2.5
271.10306	1.6
271.36301	1.1
271.60205	0.8
279.03995	0.8
286.10849	1.2
288.28870	0.9
295.10156	1.9
305.17645	1.6
323.18448	2.3
340.19321	1.9
353.19565	1.7
358.20477	2.4
538.27466	2.5
541.19312	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	538.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01854	2.0
55.05514	5.4
56.05016	0.9
56.05829	0.6
56.96559	1.0
57.03416	3.0
61.02909	2.5
65.03891	0.8
67.05496	2.4
69.03426	8.1
69.07053	2.2
70.06588	23.8
71.01345	1.1
71.04989	33.7
71.49712	0.8
72.07778	1.3
72.08155	22.4
73.02914	9.6
73.08482	4.2
79.05473	2.7
81.03392	1.9
81.07048	2.1
83.04963	2.0
84.04499	6.1
84.08122	1.8
85.02900	12.6
86.09707	4.5
87.04475	1.2
91.03974	1.0
91.05450	4.5
92.05811	1.0
93.07037	4.5
95.04996	0.8
95.08612	4.0
97.02890	8.1
97.06525	3.0
97.10169	5.2
98.06052	0.7
98.97549	1.0
99.04393	0.9
103.05455	1.5
105.03328	1.2
105.07018	2.3
107.04943	2.3
107.08587	2.5
109.02848	1.3
109.06474	0.8
109.10150	2.5
109.25797	0.6
113.06007	9.3
113.09617	2.7
115.03974	1.5
117.07016	1.1
118.06565	1.6
119.04945	1.1
119.06809	0.7
119.08569	1.8
120.08097	5.1
121.06463	1.1
121.08459	1.2
121.10137	8.9
123.04436	1.0
123.08068	5.7
123.11703	1.1
125.09598	1.0
127.03907	2.3
130.24146	0.7
131.04903	1.3
133.04950	2.5
133.09973	0.9
135.08023	0.9
136.07564	4.7
137.05992	8.0
137.07927	1.2
137.09613	3.0
138.06375	0.9
139.05051	0.8
139.11169	14.1
145.04948	3.3
145.10114	0.9
146.06007	1.0
147.11609	1.1
149.13231	1.6
151.07536	3.5
153.09111	5.8
161.05925	0.6
162.05479	1.1
163.06017	1.0
163.07503	1.1
163.14825	1.0
165.05458	1.1
167.07036	1.3
167.10634	0.8
169.13345	7.9
173.13240	2.0
177.05399	0.7
177.08994	0.8
182.08092	0.9
189.08961	1.5
190.12259	1.6
191.14279	4.0
197.12871	8.2
202.10579	0.8
203.10596	0.7
209.15367	43.7
218.11661	0.9
219.11920	1.0
227.16409	100.0
229.09790	1.2
229.15433	8.6
230.10042	1.1
231.11546	0.8
232.11519	1.1
236.10690	1.0
261.12424	1.7
262.12744	1.8
263.14047	1.1
270.11234	1.0
271.11478	1.0
282.11090	0.8
282.15430	0.8
283.11603	1.1
297.11392	0.7
308.13193	1.1
310.21225	3.5
311.12808	0.7
329.16977	0.8
342.23715	0.7
357.16306	1.3
370.18265	1.3
374.11115	0.7
401.14999	0.7
411.17480	1.6
438.16635	0.7
439.16895	5.3
510.24066	3.2
538.23792	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	538.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83685	1.8
53.99759	2.1
55.05501	5.9
56.05025	7.0
57.07065	3.1
58.02951	5.7
58.06590	3.2
60.04530	33.5
67.05511	4.1
69.03435	10.7
69.07056	9.3
69.66922	1.8
69.67253	14.7
79.05484	2.0
81.07041	3.5
83.08615	5.7
85.02906	3.0
86.06076	14.5
91.55955	2.2
93.07036	2.7
95.08616	2.4
97.10110	4.7
104.07110	83.0
107.08594	2.8
119.32387	2.0
122.08141	28.2
130.61142	2.5
149.02333	3.5
209.04250	2.2
257.89392	2.1
340.28470	3.1
358.29529	100.0
376.30597	79.7
451.67538	2.6
490.19006	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85619	0.6
55.01872	0.5
55.05501	2.8
57.03432	0.9
57.07072	4.9
58.06598	4.0
67.05505	4.2
69.03437	1.1
69.07065	1.6
70.06606	0.6
71.08252	0.8
71.08634	16.0
71.50397	1.1
73.02898	1.1
79.05495	1.6
81.03430	1.3
81.07061	3.1
83.08616	2.1
85.02874	0.8
85.10170	1.8
86.09642	0.7
91.05461	1.3
93.07031	1.7
95.04955	0.6
95.08616	3.7
96.32087	0.5
97.02904	0.8
97.10174	1.8
99.08089	24.3
104.17952	0.6
105.07040	1.5
107.08562	1.0
109.10136	2.0
111.04430	2.4
121.10094	0.6
125.93455	0.5
128.10706	2.5
133.10100	0.9
141.09583	0.6
141.14107	0.5
145.10109	0.7
147.34373	0.5
149.87254	0.5
156.13840	100.0
157.14204	1.5
163.11172	0.8
170.15358	0.6
182.15431	0.7
184.16992	2.0
199.30548	0.5
209.11693	4.4
227.12889	1.3
239.23753	1.8
277.21481	0.7
283.15518	1.9
295.22760	0.7
313.27124	1.1
423.35843	1.7
521.38629	1.1
538.39581	3.1
538.45709	78.9
539.39014	1.8
539.46057	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	539.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.1
56.96567	8.1
57.03437	3.1
58.99869	1.7
61.02929	6.4
67.05497	3.9
69.01134	1.2
69.03432	10.4
71.48622	2.0
73.02916	4.8
77.00912	5.1
81.03420	4.9
82.99852	2.2
83.04987	2.3
84.96040	2.1
85.02907	27.2
87.04476	2.0
88.62354	1.4
91.03966	3.2
95.01989	3.1
95.04977	5.1
97.02902	11.5
98.97569	10.7
99.04465	2.2
101.00887	10.0
107.04932	1.6
108.29192	1.2
109.02879	3.7
110.06080	1.7
110.97552	2.0
115.02451	1.6
115.03892	1.6
116.98617	12.0
119.01921	45.7
119.04870	1.5
127.02444	1.9
127.03933	9.9
128.98615	4.2
131.00197	1.7
131.01900	13.0
131.41115	1.3
133.03487	3.7
134.99663	7.0
135.04419	4.4
137.02988	9.8
139.03960	1.7
143.00185	3.7
143.01892	15.5
143.05568	1.9
145.02672	1.5
145.03476	17.6
145.04970	6.5
146.99643	5.4
147.01414	2.5
147.05038	1.3
149.02989	4.7
155.01843	13.8
157.03471	16.3
158.99666	4.9
159.05017	3.1
161.01268	4.7
161.02953	38.0
161.06575	2.1
163.03867	15.2
167.02007	6.0
167.05591	5.3
169.03479	4.7
170.03362	1.9
170.99698	3.1
171.01353	1.3
171.05005	11.7
173.02972	33.0
175.04521	8.7
177.00731	9.7
179.02000	2.4
182.03351	3.6
183.05174	2.5
184.04768	2.0
185.01381	1.6
185.02977	48.5
185.06578	44.9
187.02873	2.4
187.04564	8.2
187.06084	1.4
189.00748	5.7
189.02415	2.5
189.06049	7.6
191.02353	2.4
191.03922	7.9
193.03728	2.0
195.05017	8.2
195.90251	1.4
197.02980	17.6
197.06633	5.4
199.04617	2.3
199.08609	3.9
200.04390	7.3
201.00777	6.7
201.06091	13.8
203.02280	2.9
203.04008	19.6
203.07635	7.0
205.05714	1.5
206.05789	1.8
207.05252	2.0
208.04735	2.3
209.02988	2.1
209.06677	2.2
211.04559	4.5
213.06067	16.9
213.10176	1.9
215.04016	12.8
215.07715	1.9
219.01736	9.6
220.06844	1.3
221.03075	4.4
221.05104	16.7
223.04593	1.5
225.06134	3.4
225.10060	1.6
227.04044	8.8
227.08028	9.2
229.05632	5.6
229.09689	1.7
231.07158	4.8
233.03160	2.3
233.05174	3.1
237.00768	2.5
237.02849	16.3
237.05086	1.6
237.06190	2.4
239.04047	11.6
239.06178	14.0
239.08295	1.9
241.09665	4.3
243.07433	2.2
245.05087	100.0
246.05301	2.1
249.02921	2.0
249.06030	1.9
255.03970	5.6
255.07655	7.8
256.04816	1.6
257.00937	1.7
257.05115	43.1
261.02878	4.7
263.06152	30.7
269.05142	7.4
269.09161	5.9
271.10696	1.6
272.06567	7.5
272.56558	2.0
273.08356	2.0
275.06155	72.2
277.03973	2.1
277.07413	2.4
279.03885	6.1
281.04520	1.9
281.07132	16.4
281.57196	3.5
283.10724	1.9
285.08459	2.6
286.07703	1.7
287.06073	12.5
287.09851	4.8
291.03903	2.9
293.07217	6.0
295.10751	1.9
297.08499	7.5
299.06259	2.4
299.09955	1.5
303.09488	3.3
305.07269	16.0
305.10611	2.4
311.10196	2.7
313.08011	1.9
313.11716	1.9
315.09637	15.5
317.07242	17.3
321.04932	2.1
331.08807	2.3
333.10266	1.8
335.08273	11.4
341.07117	8.5
341.10803	2.0
343.09348	2.0
345.10550	1.9
347.12305	2.1
351.11435	2.3
357.10846	1.9
359.04251	2.3
359.08316	32.7
362.09277	1.8
365.09497	8.7
368.10504	2.3
371.12476	4.6
373.14063	3.8
375.11877	29.8
377.09253	53.3
377.13232	3.4
383.10123	2.9
395.10544	2.0
419.09906	1.7
431.14526	6.0
449.10803	1.6
453.12888	1.8
485.15497	5.4
495.15335	4.0
503.16742	6.0
521.12506	4.4
521.17639	6.6
539.07904	3.1
539.13654	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	539.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.0
56.96547	3.1
57.03434	1.9
58.37687	1.5
60.04509	3.5
61.02910	2.3
67.05482	2.6
69.03428	8.4
70.06586	8.0
71.48981	3.2
72.08151	1.9
72.93165	1.4
73.02894	2.2
77.24557	1.5
79.05503	1.8
81.03407	4.1
81.72112	1.6
84.08127	4.8
85.02903	21.4
86.09685	2.1
87.04443	2.3
91.05489	2.5
92.05000	1.8
95.04965	2.5
97.02917	8.1
97.06519	2.0
98.05995	1.9
98.97581	4.8
107.04932	3.7
108.04454	6.3
109.02913	1.7
110.05994	2.0
115.05514	1.6
116.98590	4.9
119.04909	2.6
122.06042	3.6
124.03933	2.2
127.03901	5.9
134.06018	2.8
134.99626	2.2
135.04404	2.3
136.07576	4.9
137.05986	3.1
138.05434	2.1
140.07051	1.8
145.04965	4.7
146.05992	1.8
147.04385	2.6
148.03870	2.4
148.07581	2.0
158.99631	1.8
161.06055	2.2
163.03902	6.7
164.06921	2.6
165.09177	1.8
167.07088	1.7
168.06512	8.3
176.03477	2.1
176.07014	2.2
179.05641	5.2
185.10699	2.5
198.09235	2.8
199.08649	8.9
200.09471	4.0
213.06389	1.5
213.10217	6.9
217.13376	3.8
223.08615	4.0
225.10184	2.6
226.08609	1.7
227.08176	17.5
228.08829	2.6
229.09698	3.1
237.02853	3.4
239.11671	2.2
240.06554	2.4
241.09723	13.5
241.13420	1.9
243.07620	3.9
243.11316	2.6
251.07982	2.4
253.09798	2.5
255.07594	19.9
257.09384	2.4
263.10159	2.6
265.09830	2.4
267.11224	3.2
269.09280	20.4
271.10764	4.5
273.08813	2.9
281.09186	3.8
283.10812	3.3
285.08813	2.1
285.12106	2.2
287.10303	9.8
293.09152	2.9
294.10022	2.2
295.10699	2.9
297.08768	11.1
297.11856	2.2
299.10214	6.0
301.08145	2.4
303.13416	5.6
307.10345	2.3
311.10202	5.6
313.11801	6.2
315.09744	38.0
317.11398	4.2
323.12527	1.9
331.12836	2.5
339.09753	3.1
341.11227	2.0
343.09137	4.5
343.13000	3.5
343.19443	1.7
343.24356	1.8
347.12222	7.6
359.12653	9.1
363.09421	2.2
371.12216	9.9
373.13907	7.0
375.11862	100.0
376.11823	3.6
377.13562	17.6
377.20691	7.5
393.12604	3.3
399.11472	3.6
425.13138	1.8
431.14551	20.4
443.14716	2.8
453.12924	4.7
471.13663	5.4
473.15536	5.3
485.15686	14.5
503.16422	13.5
521.17889	20.6
539.11804	3.6
539.19592	42.2
539.26044	11.2
540.18451	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	539.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30632	1.8
53.03940	8.1
55.01872	19.5
55.05510	31.2
57.03157	2.3
57.03433	21.1
57.07076	78.8
61.02916	4.5
65.03934	2.1
67.05508	53.8
69.03432	35.0
69.07067	27.7
70.81696	5.6
71.04988	10.6
71.08631	70.2
73.02915	37.5
77.85220	1.6
79.05494	24.3
81.03426	37.5
81.07056	66.5
83.04984	15.9
83.08159	3.4
83.08617	35.9
85.02905	33.5
85.06557	3.1
85.09682	3.1
85.10180	38.2
91.05457	16.1
93.07043	17.3
95.04958	8.0
95.08604	60.7
97.02889	21.9
97.06526	3.1
97.10168	20.2
99.04459	18.4
99.11745	4.1
103.03943	4.6
105.07030	6.2
106.98007	1.7
107.04967	3.7
107.08591	14.4
109.02877	48.7
109.10164	42.5
110.03613	8.9
111.04437	64.0
111.11735	5.4
115.03919	2.1
117.06998	6.3
119.08559	6.6
121.06540	2.9
121.10150	9.7
123.11696	19.4
125.13257	3.7
127.03907	33.6
131.08578	5.4
132.99556	17.8
133.10120	2.7
135.08084	3.1
135.11711	10.0
137.13225	9.9
143.08505	2.1
145.10139	8.6
149.09589	4.2
151.00607	7.3
151.14806	2.7
153.12740	4.3
155.00092	2.4
163.11186	15.0
164.82858	2.3
165.16307	2.1
167.00058	2.5
172.99086	3.8
173.09631	4.2
181.12184	4.8
184.16974	3.4
191.00061	28.1
191.10663	6.2
196.11380	1.9
201.80203	1.8
209.01082	9.7
209.11723	93.4
221.22659	4.7
227.12737	22.3
239.23694	84.0
245.13953	3.0
248.69287	2.0
257.24774	8.2
265.03702	4.0
265.14481	1.8
283.15405	26.3
298.27411	2.6
313.27374	55.7
353.58713	2.0
355.28391	4.2
511.37927	2.0
521.38458	19.9
538.49084	4.3
539.30963	100.0
539.39490	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	539.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01875	17.5
55.05505	19.4
56.96569	6.0
57.03441	18.0
57.07074	81.3
61.02919	5.5
67.05506	32.9
69.03431	44.0
69.07066	21.4
70.04221	2.2
70.18521	5.5
70.18872	2.7
71.01346	2.2
71.04987	7.5
71.08630	62.3
73.02520	3.2
73.02917	49.0
75.04467	3.9
79.05507	8.5
81.03415	33.0
81.07054	47.6
83.04976	10.2
83.08155	3.0
83.08616	31.3
85.02907	33.5
85.10177	33.2
89.06023	1.9
91.05473	8.3
93.03390	2.2
93.07021	9.8
95.04947	3.5
95.08608	62.4
97.02888	20.5
97.06517	2.4
97.10169	21.8
99.04445	20.9
99.08064	2.2
99.11713	2.8
103.03948	2.8
105.07028	2.1
107.08582	6.1
109.02148	3.7
109.02879	63.4
109.06542	3.1
109.10146	29.4
110.03651	10.9
111.04439	57.1
111.11716	6.2
119.08588	2.5
121.10124	4.6
123.11704	18.3
124.99088	1.7
125.13249	5.3
127.03913	34.7
132.99562	24.7
133.10118	2.5
135.11674	5.5
137.13261	10.0
139.14792	2.6
141.16325	2.2
145.10123	5.7
149.04851	4.0
151.00600	10.3
151.14767	3.8
155.00061	1.7
155.08575	2.0
159.06537	2.2
163.11203	5.5
167.00159	1.9
167.05945	2.2
172.99071	4.5
181.01752	1.8
181.12309	2.0
182.15413	5.1
186.46541	1.8
191.00073	39.0
191.10677	1.8
209.01180	14.4
209.11716	17.8
212.81064	1.6
215.02284	1.7
219.02878	1.6
221.22641	6.7
227.12788	6.3
239.23695	100.0
253.07355	1.9
257.24734	13.6
265.03809	1.8
271.08548	3.4
283.15460	6.5
297.06415	2.7
313.27368	55.5
355.28290	3.5
366.85400	2.2
384.21890	1.8
409.18942	6.9
474.98315	1.9
521.38483	4.7
538.49506	4.6
539.28766	75.3
539.39172	31.2
539.49261	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	539.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01874	3.5
55.05508	6.6
57.03431	4.9
57.03665	0.8
57.06807	0.9
57.07076	14.6
61.02908	0.8
67.05504	12.0
69.03424	7.5
69.07075	6.9
71.04988	0.8
71.08305	0.9
71.08635	10.1
71.50244	0.6
73.02915	8.3
79.05499	6.7
81.03426	6.0
81.07060	13.1
81.25793	0.6
82.89088	0.7
83.04973	2.5
83.08621	7.2
85.02908	5.3
85.10182	5.1
91.05473	5.8
93.07052	5.6
95.04958	1.4
95.08607	13.2
97.02907	3.1
97.10170	3.1
99.04456	3.4
103.03942	0.8
105.07043	5.1
107.04921	0.9
107.08595	3.3
109.02244	1.0
109.02891	9.7
109.10145	6.3
110.03661	1.6
111.04442	11.1
111.11723	1.5
117.07012	1.9
119.08582	3.0
121.10163	1.5
123.11718	3.2
125.09709	0.8
125.13239	0.9
127.03040	0.9
127.03884	4.7
127.11171	0.7
128.06120	0.6
129.07002	2.3
131.08556	2.2
132.99556	3.9
133.10114	1.8
135.11681	2.1
137.13251	1.9
139.63416	0.6
141.06973	0.9
143.08542	2.8
145.10097	2.8
147.11681	1.4
151.00583	1.1
155.08565	2.3
157.10165	2.0
159.11745	1.1
163.11259	0.7
167.08502	1.3
169.10109	2.7
171.11714	1.8
172.99098	1.2
173.09601	0.8
173.13251	1.6
179.08698	0.9
181.10126	2.2
183.11703	2.6
185.04221	0.6
185.13301	0.9
191.00114	5.5
193.10193	0.7
195.11696	1.3
197.13258	1.5
203.05292	1.2
206.86440	0.7
209.01135	2.4
209.11694	2.4
209.13454	1.4
211.14908	1.4
221.22502	0.8
227.12715	0.8
239.23685	16.8
257.24847	1.8
278.44147	0.7
283.15405	1.0
313.27338	8.6
321.22787	0.7
323.23636	0.9
447.32553	3.9
465.33591	1.8
521.36707	2.4
534.10040	0.8
539.31708	100.0
539.38263	9.3
540.32129	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	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01868	4.5
55.05249	0.9
55.05512	17.1
57.03435	6.1
57.06804	1.4
57.07074	21.8
67.05506	20.2
69.03436	3.8
69.07066	8.7
69.61429	2.3
69.61854	2.7
71.04967	2.1
71.08252	1.0
71.08632	15.2
73.02904	2.0
78.59810	0.7
79.05493	11.4
80.01733	0.6
80.53976	0.7
81.03413	4.1
81.07054	27.3
83.04978	9.0
83.08611	10.8
85.02901	4.8
85.06529	1.7
85.10186	7.9
89.06013	2.2
91.05480	7.4
93.07047	12.1
95.04967	3.6
95.08000	1.2
95.08602	16.7
97.02883	9.1
97.06541	2.0
97.10176	5.0
99.04456	1.3
99.08035	0.9
99.48118	0.7
105.07028	2.9
107.04945	3.2
107.08596	9.2
109.02866	3.3
109.06529	1.4
109.10164	8.8
111.04441	26.1
111.08069	1.2
111.11708	0.9
117.07029	3.7
119.08562	2.9
121.06512	1.2
121.10160	4.7
123.04420	1.6
123.08110	1.1
123.11711	3.6
125.05960	1.3
125.09614	2.2
127.03900	1.8
127.11172	1.0
131.08578	2.8
132.99541	1.2
133.08577	1.7
133.10129	2.3
135.08047	0.9
135.11710	4.7
137.13208	0.9
139.11121	0.9
145.10107	5.5
149.09570	1.7
153.12749	1.0
155.08478	1.4
163.11200	6.3
173.09593	3.0
181.12213	1.9
191.00070	1.5
191.10609	4.3
209.11719	100.0
227.12790	26.8
239.23720	8.2
245.13838	2.0
283.15408	34.0
313.27374	20.8
341.26855	1.6
367.28629	0.9
521.38422	18.0
539.28998	2.4
539.39282	18.0
539.47009	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	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01876	9.5
55.05513	37.5
57.03433	23.5
57.07079	90.2
67.05508	66.3
69.03443	9.7
69.07076	32.3
71.01343	3.5
71.05006	6.7
71.08632	61.8
71.20728	6.1
73.02924	11.9
79.05495	46.7
81.03432	16.7
81.07057	68.5
83.04992	16.2
83.08621	40.9
85.02909	9.8
85.06524	3.9
85.10175	28.0
87.04500	4.6
89.06064	4.6
91.05486	28.5
93.07053	50.9
95.04978	18.3
95.08613	89.1
97.02885	10.0
97.06538	10.1
97.10168	18.4
99.04472	8.8
105.07038	13.7
107.04983	15.4
107.08600	31.5
109.02925	8.7
109.06562	3.7
109.10153	28.8
109.21167	3.2
111.04429	16.8
111.11732	5.5
113.06025	3.2
117.07036	14.1
119.08601	12.0
121.06509	8.1
121.10159	19.3
123.11722	12.6
125.09607	4.4
127.03938	6.6
131.08585	8.6
132.99583	5.0
133.05051	3.2
133.06110	3.2
133.10117	5.9
135.11697	48.5
139.11195	3.7
145.10129	37.5
147.08133	2.8
149.09560	4.3
153.12741	3.9
154.45105	3.4
163.11182	70.7
168.30890	3.1
173.09573	8.0
181.12201	15.9
184.16965	7.4
184.57019	3.8
191.00128	4.4
191.10706	10.4
209.11732	40.2
227.12782	100.0
239.23759	25.7
245.13954	3.7
257.24762	5.8
265.14313	7.6
283.15396	49.3
313.27386	97.0
314.27707	3.3
444.14587	3.6
521.38495	71.0
539.30237	6.2
539.39392	71.7
539.48474	6.7
540.50952	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	539.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01875	10.2
55.05509	42.8
57.03436	10.4
57.07072	65.7
61.31854	1.7
65.03932	2.6
67.05504	43.5
69.03422	8.2
69.07063	21.7
70.75265	4.8
71.01341	5.7
71.04986	4.8
71.08250	2.6
71.08630	44.6
73.02906	5.7
79.05489	29.4
81.03423	14.2
81.06611	2.9
81.07056	47.4
83.04979	14.0
83.08613	26.0
85.02906	25.1
85.06499	1.9
85.10180	24.9
87.04472	8.9
89.05983	3.5
91.05489	11.4
93.07046	21.4
95.04964	6.0
95.08604	48.2
97.02892	10.2
97.06493	7.2
97.10170	31.2
99.04424	2.9
99.11761	2.3
103.03914	1.4
105.07030	5.2
107.04958	4.7
107.08595	14.4
109.02896	9.7
109.06519	2.1
109.10150	24.0
111.04429	17.6
111.08068	2.1
111.11700	3.3
113.13351	1.7
117.07015	6.4
119.08583	5.9
121.06506	1.5
121.10164	9.3
123.08069	3.4
123.11700	8.4
125.09631	29.6
127.03902	5.0
131.08545	5.3
132.99529	2.5
133.10158	4.4
135.07941	2.1
135.11690	10.2
137.09656	2.0
137.13232	3.2
143.10686	5.9
145.10127	11.0
147.08041	3.4
149.09584	1.8
151.14767	2.5
153.12782	9.2
153.14101	1.7
155.08585	1.6
163.11157	17.0
165.03700	1.8
169.12238	2.0
173.09630	3.8
181.12218	7.6
184.16928	1.9
191.00107	3.5
191.10722	10.0
199.13298	14.5
209.11705	52.7
211.65260	2.0
227.12769	24.4
239.23680	22.9
245.13918	3.2
256.56024	1.6
257.24683	1.7
265.14166	1.6
283.15363	18.4
289.77414	2.2
301.16525	5.2
313.27362	44.8
341.26923	1.7
437.36337	7.1
455.37128	2.8
521.38330	12.5
539.28656	7.5
539.39404	100.0
540.39868	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	539.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	13.7
55.02259	4.6
55.05513	34.8
57.03429	17.8
57.06812	5.4
57.07078	79.8
59.11758	5.4
67.05499	38.6
69.03437	13.2
69.07060	21.7
69.57497	37.6
71.05009	7.6
71.08636	48.7
73.02908	6.9
78.73251	4.5
79.05508	30.2
81.03406	11.9
81.07059	54.5
83.04948	11.1
83.08614	29.3
85.02902	14.2
85.10188	23.9
87.04465	4.5
89.06000	9.4
91.05466	13.7
93.07040	40.1
95.04940	6.1
95.08607	74.7
97.02866	6.2
97.10152	24.7
105.07041	7.1
107.04960	10.6
107.08586	21.7
109.02877	10.3
109.10194	25.6
111.04436	14.9
113.88412	5.4
117.07041	11.1
119.08579	7.7
121.06443	5.8
121.10131	15.6
123.11732	13.6
124.41687	5.2
125.09617	12.7
132.99519	5.1
133.10066	5.5
135.11670	30.1
145.10138	30.0
149.09589	5.2
156.13782	15.6
163.11205	48.2
173.09593	5.2
181.12231	10.9
191.10722	7.8
199.13486	5.2
203.23190	5.4
209.11742	17.1
227.12769	83.8
239.23695	29.3
283.15329	39.8
306.43155	5.7
313.27374	100.0
521.38446	46.7
539.29181	8.6
539.39197	58.1
539.46222	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	539.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90639	4.9
55.01867	12.9
55.05285	5.3
55.05508	36.1
56.49451	5.5
57.03440	15.5
57.07072	100.0
65.03970	4.9
67.05502	67.8
69.03400	8.4
69.07069	25.5
69.44081	40.6
71.08626	59.7
73.02917	16.8
79.05476	32.6
81.03426	19.5
81.07059	51.1
83.04975	14.8
83.08618	29.3
84.23103	4.7
84.96611	5.1
85.02902	19.1
85.10190	28.6
86.09711	21.8
91.05505	23.8
93.07034	28.8
95.04964	13.9
95.08596	66.5
97.06534	6.5
97.10156	19.7
99.04411	5.1
104.10766	5.9
105.07062	9.5
107.04965	11.7
107.08586	25.0
109.02862	12.1
109.10169	24.5
111.04426	27.6
111.08025	5.9
117.07032	9.4
119.08598	9.7
121.10139	18.6
123.11723	7.0
125.09608	7.9
127.03894	11.3
127.11204	15.5
128.11511	6.9
131.08522	6.0
132.99518	6.5
133.10133	6.7
135.11681	24.3
145.10110	19.3
153.12750	7.8
156.13826	16.3
163.11177	43.2
173.09682	6.8
181.12207	16.8
184.16978	62.7
185.17302	32.3
191.00070	9.4
191.10695	20.6
199.13303	9.0
209.11702	47.9
227.12801	54.2
230.24049	5.4
239.23645	33.4
249.28748	5.1
283.15356	50.2
313.27350	83.3
324.32648	8.4
325.33026	8.7
370.83298	6.2
430.37622	6.1
521.38336	37.9
538.52228	6.2
539.28613	6.0
539.29865	7.1
539.39368	77.9
539.53351	86.4
560.76660	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	540.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.1
55.02129	0.8
57.03439	0.5
61.02929	1.4
65.03923	0.6
66.10244	0.4
69.03426	2.8
71.06599	1.0
73.02902	0.6
74.57018	0.4
75.23640	0.3
79.60504	0.4
81.03426	1.6
85.02908	11.8
86.92093	0.4
91.03968	0.5
91.31553	0.4
97.02896	3.6
107.04969	0.6
109.02885	0.8
109.08070	0.4
111.04461	0.5
120.08098	0.6
121.02929	0.5
127.03946	2.5
135.04401	0.5
139.03903	100.0
145.04953	4.7
153.05461	4.7
162.07578	0.4
163.03925	1.2
163.05989	1.8
166.07321	0.4
177.05516	0.5
177.91534	0.3
180.08757	0.6
181.04959	53.2
195.11430	0.3
199.06017	63.1
205.04924	1.1
213.39668	0.3
223.06010	0.4
247.06104	1.0
265.06934	0.6
289.07013	0.7
294.84808	0.4
307.08124	0.9
540.13409	0.7
540.20929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
55.05516	1.2
59.05027	1.1
61.02921	1.8
67.05504	3.8
69.03432	1.9
70.06602	2.0
71.01359	4.2
71.26157	2.1
72.08157	1.0
73.02941	1.0
79.05505	5.2
81.03422	2.2
81.07059	4.4
83.04214	0.9
84.04515	1.2
84.08148	2.2
85.02900	8.7
86.02491	1.0
86.09713	3.9
89.20182	0.9
91.03945	1.6
91.05497	4.0
93.07052	16.9
95.04961	6.2
95.08632	3.6
97.02897	2.4
98.97581	1.1
105.07092	1.2
107.04995	2.2
107.08588	7.9
109.02860	1.7
109.06541	1.3
109.10193	1.1
111.08096	5.8
115.05553	1.2
117.07043	5.1
119.08607	2.1
125.02361	3.2
127.03929	2.2
131.18405	0.9
135.08061	35.5
137.09624	17.2
142.15446	1.1
145.04965	2.7
145.06511	1.3
153.09105	12.2
163.06161	2.4
163.07550	34.6
181.08603	69.9
182.11783	1.8
199.09665	100.0
265.18704	1.1
266.07269	2.1
304.90442	0.9
325.12885	3.9
343.13678	2.4
346.16541	1.1
378.18982	2.4
479.93295	1.1
490.15829	1.7
540.28864	1.2
541.22766	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	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.01855	1.0
57.03427	1.0
60.17645	0.5
61.02930	0.7
69.03442	2.7
70.06577	0.6
70.97925	0.9
71.04955	0.5
77.60138	0.4
78.49592	0.6
79.05496	0.9
81.03389	0.9
81.07058	0.8
85.02909	8.0
91.05477	7.0
94.04154	0.6
95.04973	2.6
97.02885	1.4
98.97591	1.1
103.05461	1.3
105.07038	1.3
107.04955	1.9
109.02875	0.7
109.06532	1.2
109.84352	0.5
111.04429	1.0
115.05431	0.8
119.04946	6.4
121.06500	2.2
122.03645	1.4
123.07998	0.6
127.03891	1.5
129.06978	4.8
129.12863	0.5
131.04918	2.0
133.06488	0.8
135.08032	2.3
136.05197	1.0
137.05978	32.7
143.04950	0.8
145.04953	0.8
145.06508	1.2
147.04419	0.9
149.05978	5.4
151.03952	1.2
151.07542	44.2
157.06494	5.0
161.05994	5.0
161.09621	1.1
162.06668	0.5
163.07538	10.0
165.07033	2.3
165.09123	2.1
167.07169	1.0
167.08536	5.3
174.06725	2.7
175.07549	3.4
176.08315	0.7
177.09094	4.2
178.07719	1.2
179.08583	0.8
181.06424	0.6
189.07436	1.0
189.09120	16.0
192.09486	0.7
193.06512	2.2
193.10114	2.6
195.08041	8.7
197.06012	1.0
203.08559	1.1
205.06564	0.5
206.07365	0.6
207.08182	0.9
207.10091	3.1
209.09776	0.7
210.06757	1.5
211.07491	1.0
212.08319	1.6
221.06009	4.0
221.09544	3.7
222.06715	0.7
223.07536	4.8
224.08310	1.0
225.09047	3.5
227.10651	13.4
237.09140	1.5
238.06230	1.0
239.06989	0.7
239.10582	1.1
240.07823	1.7
241.12297	1.0
244.61792	0.5
249.09097	2.5
252.07942	0.8
253.08575	5.9
253.12230	8.4
255.10146	15.1
265.08661	0.6
267.10251	2.6
269.08099	1.6
272.10413	1.5
281.11765	2.7
284.10242	1.2
285.11203	9.9
287.12769	27.5
288.13232	0.5
297.11212	0.8
298.12045	0.6
299.12830	1.3
301.14352	0.7
311.12708	0.9
313.14334	24.8
314.14642	0.6
331.15390	100.0
332.15628	2.6
343.15356	3.5
390.65161	0.6
541.20392	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	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
57.03418	1.3
60.09133	1.0
61.02914	1.2
69.03427	3.7
70.06601	1.9
70.46679	2.1
70.47055	1.6
79.05499	1.8
81.03384	1.4
84.04494	1.1
85.02911	8.8
87.75826	1.1
91.05475	12.4
94.04164	1.6
95.04971	3.9
95.08583	1.2
97.02889	2.8
103.05447	2.0
105.07050	1.8
107.04942	2.4
109.06492	2.3
111.04411	1.2
115.05471	1.7
119.04949	10.7
120.08091	1.1
121.06477	2.9
122.03646	2.5
127.03905	1.6
128.06236	2.6
129.07013	12.6
131.04932	3.7
131.08556	7.8
133.06487	1.8
135.08047	3.6
136.05223	1.4
137.05978	48.8
141.06985	4.6
144.05704	1.0
145.04956	1.7
145.06496	3.6
149.05963	8.6
151.03914	1.2
151.07542	55.0
157.06487	10.3
158.07272	3.1
159.08084	6.0
160.05247	1.3
161.06003	6.5
161.09637	3.0
163.03984	1.3
163.07542	13.2
165.06989	2.4
165.09122	2.4
167.07266	1.1
167.08578	6.0
169.06482	2.7
170.07196	1.1
174.06779	14.2
175.07565	5.1
177.09116	3.9
181.10046	1.5
186.06711	3.6
187.07275	1.2
189.09106	40.2
191.10640	1.3
193.06511	1.3
193.10103	3.2
194.07170	1.2
195.08051	10.6
201.09082	7.6
207.10146	3.4
211.07439	1.8
212.08345	3.2
219.10156	82.1
221.06015	4.7
221.09604	6.1
223.07483	6.6
224.08322	2.3
225.09085	5.0
227.07224	1.2
227.10672	20.0
227.12730	1.7
237.09157	2.2
238.06197	2.4
239.07166	1.2
240.07802	1.7
249.09103	1.7
250.10081	1.1
253.08656	7.9
253.12285	9.2
255.10158	16.3
267.10034	4.2
269.08041	2.7
269.11850	1.2
272.10574	1.7
281.11667	2.5
284.10464	1.7
285.11230	13.6
287.12759	35.6
298.11810	1.1
301.14233	1.9
313.14328	33.1
331.15384	100.0
332.15808	1.4
343.15143	1.1
380.69806	1.3
541.22186	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	540.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66262	0.2
53.03938	0.2
55.01882	0.3
55.05516	1.9
57.03425	0.4
57.07075	22.9
58.06600	3.5
58.07391	0.4
67.05509	2.7
68.05834	0.3
69.07066	1.4
70.06578	0.6
70.84226	0.3
70.84559	0.4
71.04965	0.3
71.08632	1.2
72.08148	3.8
73.06534	0.4
77.82286	0.2
79.05468	0.4
81.03368	0.4
81.07047	1.4
83.04963	0.3
83.08598	0.9
85.02894	0.3
85.10184	0.6
86.09723	1.6
88.07632	0.4
89.06043	0.3
90.26643	0.3
91.05451	0.4
93.07045	0.5
95.08595	1.0
96.08949	0.5
97.10157	1.2
98.06045	1.2
105.07027	0.3
107.08568	0.4
107.98389	0.3
108.75747	0.2
109.10161	3.7
109.65555	0.3
110.10474	0.3
111.11768	0.3
111.27386	0.2
121.10110	0.3
124.11940	0.2
125.09643	0.4
127.11192	22.3
139.63780	0.2
145.10115	0.3
154.90213	0.2
156.13870	1.1
163.11140	0.3
184.16971	98.4
185.17320	0.3
199.13303	0.3
200.13681	0.3
209.11722	0.3
210.12137	0.3
214.67690	0.2
215.21272	0.6
217.40189	0.3
227.12816	0.4
240.24115	0.3
256.26306	0.7
302.04794	0.2
302.40018	0.3
308.29474	0.7
311.29410	0.3
313.27399	0.4
314.27670	0.6
326.30533	4.6
357.34860	2.9
397.38013	0.7
412.07071	0.3
522.38898	0.4
540.51001	100.0
541.51398	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	541.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95324	0.5
53.03947	0.6
53.87099	0.5
56.96568	0.8
58.64046	0.5
69.03434	1.3
69.55750	3.6
70.06584	1.4
84.08150	0.6
85.02906	3.4
86.09727	1.1
88.03989	1.1
91.05486	2.3
92.05818	0.6
95.04984	0.9
97.02897	1.0
98.97601	3.7
103.05503	0.9
104.05312	1.1
105.07027	0.6
107.04964	0.7
110.97580	0.9
116.98612	1.7
119.04934	1.9
120.05361	0.7
120.08117	2.2
121.06520	1.0
122.03629	0.6
128.98596	1.0
129.07039	1.1
130.07347	0.7
134.99640	0.8
135.08023	0.5
137.05983	9.5
138.06325	4.0
146.99586	0.9
149.05978	1.9
151.03905	1.1
151.07559	11.8
152.07875	5.3
154.72824	0.6
157.06482	1.0
158.06842	1.2
161.01152	0.6
161.06015	1.4
162.06453	0.8
163.07545	2.4
164.07877	1.6
167.08585	1.0
168.08946	1.0
175.07350	1.6
177.00693	0.7
177.09145	1.0
178.09435	0.9
189.00644	0.8
189.09134	2.2
190.09479	2.3
193.10187	0.6
195.08022	1.3
196.08424	2.2
207.10155	0.6
210.09967	0.9
221.09526	0.7
222.06287	1.3
222.10017	0.7
224.07965	1.3
226.09441	0.7
227.10718	2.0
228.11009	3.0
237.02737	0.6
240.07780	0.8
249.02780	3.0
253.08557	0.6
253.12140	1.3
254.09010	1.1
254.12566	1.9
255.10135	1.8
256.10458	2.6
267.03931	0.9
267.09903	0.7
268.10599	1.0
270.11871	0.6
285.11169	1.6
286.11612	2.5
287.12866	3.6
288.13184	6.3
289.08401	0.7
291.03912	1.6
307.12201	1.9
313.14410	2.5
314.14600	5.7
331.15424	11.9
332.15756	27.5
344.15662	1.5
379.13000	0.6
384.18692	0.6
398.06866	0.5
421.15341	2.2
450.43002	0.6
538.09418	0.6
541.20441	100.0
542.20624	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	542.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
54.37813	0.8
69.03429	1.3
69.25451	1.2
69.25799	9.7
70.06586	2.4
71.04937	1.0
72.08145	1.2
79.05495	3.0
80.05042	0.9
81.03425	1.3
81.07053	1.6
82.80797	0.9
85.02920	6.9
86.09716	1.6
91.05476	2.8
93.07037	2.9
94.04179	1.6
94.06538	1.3
95.04917	1.2
95.07349	1.8
96.08131	2.4
97.02872	1.8
97.06535	1.3
98.05083	0.9
100.78047	1.0
103.05464	5.8
104.18210	0.9
105.07023	3.4
107.04935	2.6
108.08113	4.1
109.06532	1.1
110.09675	6.6
112.76138	0.8
117.07048	1.3
119.04935	1.1
120.08101	7.6
121.06537	3.1
121.08881	2.6
122.03671	5.2
128.06215	1.0
129.10332	1.1
131.04918	8.2
133.06488	18.3
134.06023	1.7
135.08069	5.0
136.07634	1.3
137.05974	100.0
138.09135	12.9
145.06509	4.6
146.06032	1.8
147.08064	1.9
149.06000	2.3
151.07545	6.0
152.07097	2.0
157.06487	1.4
162.17126	0.9
163.06165	1.8
163.07535	31.7
165.05437	1.0
166.08635	11.1
166.38620	1.0
171.08073	2.6
175.07559	2.3
177.09149	1.4
179.07071	0.9
188.08383	1.6
189.09105	3.0
194.28242	0.8
203.10735	4.2
205.76335	0.9
209.08058	1.7
211.09592	0.9
235.11334	1.0
237.10187	1.8
239.08136	1.6
241.09726	1.2
253.09688	2.1
263.10669	1.9
265.09656	2.8
281.09167	1.9
283.10867	1.7
293.09317	2.0
295.10687	1.4
295.13361	14.7
301.11819	1.3
311.10394	1.5
321.08676	0.9
327.09705	2.2
327.15854	22.5
339.09790	3.3
359.12326	3.7
371.12158	1.5
446.17041	1.8
464.18103	7.5
492.17941	8.3
510.18573	1.1
524.20319	1.5
542.22748	5.2
543.16724	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	542.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05507	6.6
56.96556	1.4
57.03429	2.7
57.07085	1.2
59.05002	1.1
61.02914	4.9
62.64544	1.1
67.05504	11.7
68.05857	1.0
69.03427	9.0
69.07059	4.9
69.17654	6.6
69.18084	5.5
70.06596	6.7
71.04983	4.3
72.08155	3.5
73.02896	3.1
74.06100	2.0
74.20360	1.1
79.05490	5.7
81.03412	6.0
81.07054	50.0
83.04991	2.7
83.08621	8.1
84.04493	1.0
84.08131	4.0
85.02905	30.4
85.06541	1.5
86.09695	6.5
91.03967	2.7
91.05479	10.1
93.07040	8.0
95.04964	2.7
95.08604	11.5
96.96021	1.0
97.02889	10.5
97.06525	3.1
98.97577	1.6
99.04464	2.4
105.07026	22.3
107.08591	8.7
109.02854	3.1
109.06499	2.7
109.10149	2.9
116.37463	1.0
119.08590	12.8
121.10133	18.8
123.08062	1.8
123.11705	100.0
127.03915	7.0
127.07574	1.2
129.10249	3.1
131.00137	1.5
136.07564	2.4
137.09593	1.4
137.13219	5.9
138.09103	1.8
139.03969	1.2
145.04968	12.2
145.10086	1.4
147.11684	59.7
149.01198	3.4
156.03529	1.3
163.06026	4.4
165.05412	1.1
165.09111	1.7
165.12755	75.5
166.08687	1.4
171.06819	1.4
177.00703	2.6
180.07295	2.4
183.13809	36.5
189.00455	1.3
191.02115	1.3
193.12227	1.9
201.12361	1.2
201.14873	10.2
219.10182	1.9
220.10558	1.6
229.11821	1.0
243.08876	2.1
244.10527	3.8
244.60657	1.2
252.09422	3.8
269.12451	2.6
285.09924	3.0
324.11401	15.0
325.13120	2.6
333.12106	8.0
333.62244	2.0
340.12781	3.3
349.13290	6.3
364.10562	1.1
542.21936	3.3
542.30188	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	542.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05507	6.6
56.96556	1.4
57.03429	2.7
57.07085	1.2
59.05002	1.1
61.02914	4.9
62.64544	1.1
67.05504	11.7
68.05857	1.0
69.03427	9.0
69.07059	4.9
69.17654	6.6
69.18084	5.5
70.06596	6.7
71.04983	4.3
72.08155	3.5
73.02896	3.1
74.06100	2.0
74.20360	1.1
79.05490	5.7
81.03412	6.0
81.07054	50.0
83.04991	2.7
83.08621	8.1
84.04493	1.0
84.08131	4.0
85.02905	30.4
85.06541	1.5
86.09695	6.5
91.03967	2.7
91.05479	10.1
93.07040	8.0
95.04964	2.7
95.08604	11.5
96.96021	1.0
97.02889	10.5
97.06525	3.1
98.97577	1.6
99.04464	2.4
105.07026	22.3
107.08591	8.7
109.02854	3.1
109.06499	2.7
109.10149	2.9
116.37463	1.0
119.08590	12.8
121.10133	18.8
123.08062	1.8
123.11705	100.0
127.03915	7.0
127.07574	1.2
129.10249	3.1
131.00137	1.5
136.07564	2.4
137.09593	1.4
137.13219	5.9
138.09103	1.8
139.03969	1.2
145.04968	12.2
145.10086	1.4
147.11684	59.7
149.01198	3.4
156.03529	1.3
163.06026	4.4
165.05412	1.1
165.09111	1.7
165.12755	75.5
166.08687	1.4
171.06819	1.4
177.00703	2.6
180.07295	2.4
183.13809	36.5
189.00455	1.3
191.02115	1.3
193.12227	1.9
201.12361	1.2
201.14873	10.2
219.10182	1.9
220.10558	1.6
229.11821	1.0
243.08876	2.1
244.10527	3.8
244.60657	1.2
252.09422	3.8
269.12451	2.6
285.09924	3.0
324.11401	15.0
325.13120	2.6
333.12106	8.0
333.62244	2.0
340.12781	3.3
349.13290	6.3
364.10562	1.1
542.21936	3.3
542.30188	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	542.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
56.05032	0.8
57.03435	0.9
57.07033	0.4
58.06594	0.9
60.05637	0.6
60.08164	4.8
63.16100	0.3
67.05505	4.6
69.07069	2.3
71.07378	3.8
71.50122	0.4
79.05489	1.2
81.07057	4.6
83.08611	1.2
86.09708	19.9
91.05476	0.8
93.07044	1.8
95.08595	3.4
97.10201	0.6
103.44003	0.3
104.10744	100.0
105.06993	0.4
105.11096	0.4
107.08609	0.8
109.10150	1.4
119.08585	0.8
121.10162	0.6
121.43105	0.3
123.11707	0.4
133.10127	0.5
146.98186	9.7
164.99289	0.4
176.99236	0.6
188.00674	0.4
226.66087	0.3
228.02618	0.3
293.78824	0.3
337.27386	2.2
439.22223	0.7
448.09659	0.3
465.23679	0.4
483.24844	50.1
542.32166	18.9
542.48828	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	542.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.5
57.07076	36.7
67.05506	2.4
69.07056	2.4
71.08634	27.4
73.06559	8.0
79.05502	1.3
81.07057	2.3
83.08627	2.8
85.10183	22.5
87.04492	4.5
89.06032	100.0
91.05460	1.2
91.07594	1.2
93.07045	1.7
95.08582	1.4
97.10176	4.5
99.11739	4.9
105.06997	1.5
107.07072	5.4
109.10165	1.5
111.11716	0.9
113.13280	1.4
117.09125	5.3
130.08656	3.9
131.07063	2.4
133.08604	50.3
135.10173	1.4
155.17940	3.9
161.11757	1.7
170.15340	1.7
177.11230	23.2
199.20636	4.8
221.13863	3.3
225.00104	0.8
239.14882	2.1
240.23277	1.0
243.23218	9.4
283.17438	1.0
287.25735	3.2
312.14136	1.1
327.20163	1.8
363.94260	0.8
371.22772	5.8
520.73499	0.9
525.40149	8.3
542.35193	1.9
542.48663	1.5
543.36938	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	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98264	0.7
70.01582	0.2
70.01997	0.4
96.92200	0.2
112.89610	2.3
114.89346	0.8
116.89085	0.2
118.97125	0.3
124.47079	0.1
137.00294	0.1
143.00249	0.1
158.96440	0.5
177.00694	0.1
189.00615	0.2
199.38573	0.1
200.93344	0.1
200.97462	1.1
201.01529	0.4
205.87549	0.1
218.97133	0.6
219.02020	0.1
260.98398	0.7
268.98160	0.3
272.98349	0.2
279.03793	0.2
321.04727	0.2
339.01370	0.2
363.06793	0.9
365.10464	0.3
381.07922	15.9
382.08398	0.3
423.08255	0.2
501.02838	0.2
543.13220	100.0
544.13580	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	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06145	0.6
56.96550	0.8
66.28788	0.5
71.29008	1.3
86.13773	0.6
98.97574	1.3
121.45566	0.6
130.16170	0.8
146.99654	1.0
160.87209	0.6
171.05029	1.6
189.96277	0.6
209.83383	0.6
221.97894	0.6
245.05077	0.7
261.02966	0.7
261.08249	0.7
305.27927	0.7
315.07416	0.8
321.04932	1.0
351.11258	3.1
372.57065	0.7
381.07932	18.2
428.09497	0.7
512.15082	0.7
543.13214	100.0
544.13287	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	543.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01864	0.5
55.05510	0.2
57.03429	0.2
60.37695	0.2
61.02914	0.2
64.34210	0.2
65.16360	0.2
67.05487	0.3
69.03442	1.0
69.48836	0.4
69.49236	1.4
71.04988	0.3
75.55374	0.2
79.05481	0.8
81.03395	0.6
81.07027	0.3
85.02897	1.5
91.05489	1.2
93.07036	1.8
95.04990	1.1
96.04507	0.2
97.02906	1.3
97.06499	0.2
99.37180	0.2
103.05437	0.8
105.06997	0.2
107.04958	0.5
109.02888	0.3
109.06456	0.2
115.05441	0.6
117.05701	0.3
117.06991	0.3
118.05743	0.3
118.06541	4.6
121.06499	2.5
123.04379	0.3
124.03928	1.9
126.05536	0.2
130.06531	2.2
142.06523	1.7
143.07306	1.6
144.08080	5.7
146.06004	17.2
148.07506	0.3
149.05963	2.1
151.03874	0.3
154.06375	0.2
156.08104	0.6
156.13806	0.7
158.09639	0.3
160.07535	0.4
167.07303	0.5
168.08066	2.4
169.07603	100.0
170.05998	3.1
170.08189	0.4
170.09650	0.6
171.09232	0.2
176.07083	1.4
181.07591	0.3
182.08377	2.5
182.09818	0.3
183.09184	1.3
184.07552	0.6
184.09845	0.3
184.11301	0.3
185.07085	0.3
185.10860	0.5
188.07063	25.9
192.08029	0.5
194.08150	0.4
194.09717	0.3
195.09190	0.6
196.07600	0.3
197.07059	0.2
206.08244	0.3
207.09177	0.4
209.10780	0.4
211.08644	0.5
214.08591	0.4
215.08156	11.1
219.09093	1.0
220.07581	1.1
221.08524	0.3
221.10753	0.7
223.08719	0.3
234.07619	0.3
235.08652	1.7
236.09290	0.3
237.10262	1.6
238.08688	0.3
239.08174	0.3
247.08676	1.9
247.12373	0.7
248.07100	1.3
249.10260	0.4
250.07498	0.4
261.13776	0.2
263.08203	2.3
264.06467	0.3
265.09720	16.1
266.10428	0.5
267.11270	0.2
281.09235	0.7
289.13306	1.1
290.11621	0.3
291.14825	0.3
293.09229	0.9
299.11652	0.2
307.14407	1.5
311.06613	0.4
311.10239	9.5
317.12848	3.4
335.13882	50.8
345.12396	0.3
363.13379	7.3
363.17859	0.5
381.14429	41.2
382.14514	0.4
483.37848	0.2
497.19168	0.9
507.16837	0.2
525.19391	0.2
542.45227	0.3
543.19427	0.5
543.38580	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	543.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26735	0.3
52.03937	0.3
53.03948	1.0
55.01870	0.5
55.05508	4.9
56.46521	0.3
57.03449	1.9
59.05012	0.3
60.33130	0.3
61.02926	2.9
65.61522	0.3
67.05495	0.5
69.03434	8.3
69.48279	0.3
70.06586	2.2
71.01375	0.4
71.04995	0.6
71.44669	0.3
71.49047	0.3
71.61212	0.3
72.08159	0.7
73.02909	1.4
73.06564	1.8
80.04989	0.3
81.03421	3.6
81.07077	0.3
83.01361	0.4
83.80586	0.3
84.04514	0.4
84.08134	1.1
85.02908	24.5
86.09702	1.4
87.04466	1.1
91.03945	1.2
95.04967	0.3
97.02892	7.4
97.06503	0.5
99.04459	1.4
101.02380	0.5
101.56152	0.3
104.04992	0.8
107.04979	0.6
109.02879	2.8
109.10134	1.2
110.10497	0.3
115.03956	0.5
120.08081	0.8
127.03916	4.7
128.98688	0.2
129.04507	3.5
129.10226	0.4
129.43344	0.3
130.02879	0.9
136.07574	0.4
136.69135	0.3
137.06003	0.6
137.09570	0.7
139.03876	0.4
145.04967	4.9
146.05989	0.3
147.05531	51.1
148.05934	0.3
155.10536	0.3
156.11040	0.4
159.05537	5.7
163.05974	0.9
165.05469	0.3
165.09108	0.6
166.09549	0.3
177.06590	4.5
184.10478	0.3
185.75810	0.2
195.06450	0.3
200.13936	0.6
201.10197	21.4
202.11598	0.7
203.10242	0.6
219.11288	100.0
220.11597	0.5
224.08252	0.4
228.13362	0.6
237.02675	0.4
238.10690	0.4
243.46852	0.3
268.08884	0.3
281.11536	0.3
306.14969	0.3
306.18570	0.4
341.21640	0.4
363.18549	0.3
381.16556	4.7
387.12839	0.3
402.72348	0.4
543.23004	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01857	0.7
55.05510	4.4
57.03411	1.4
61.02924	1.9
65.24660	0.4
69.03433	7.0
70.06564	1.7
71.04963	0.8
71.10105	0.5
71.10442	0.8
73.02892	1.4
73.06526	1.7
81.03425	2.7
81.07011	0.4
84.08129	0.5
85.02907	16.7
86.09670	1.0
87.04449	0.9
91.03933	1.2
91.05489	0.4
97.02880	6.5
98.97603	0.6
99.04425	1.6
100.46864	0.4
104.04971	1.2
108.28422	0.4
109.02864	1.8
120.90486	0.4
127.03925	3.7
129.04462	3.6
129.10219	0.4
130.02861	0.9
142.89967	0.3
145.04951	2.6
147.05527	53.1
149.01126	0.4
159.05522	5.9
160.06291	1.3
177.06586	2.9
184.07526	0.5
200.13873	0.5
201.08755	0.3
201.10223	27.7
219.11282	100.0
220.11603	1.4
228.13272	0.5
243.08865	0.4
252.09277	0.5
261.09952	0.5
282.27936	0.4
324.11465	1.1
333.11938	2.2
333.62613	0.4
335.09598	1.5
342.12650	0.8
367.17303	0.5
381.16568	11.2
411.19815	0.5
499.21399	6.5
543.24084	31.5
544.24359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01871	6.4
55.05516	22.6
57.03421	1.9
57.07065	3.0
59.05001	2.2
62.72479	1.2
65.03941	2.1
67.05511	37.9
69.03425	2.3
69.07072	10.4
71.05006	3.8
78.92085	1.3
79.05501	33.1
81.03405	7.8
81.07064	31.5
83.04980	9.7
83.08632	12.1
87.70522	1.6
91.05490	25.2
93.07053	27.3
94.06038	1.3
95.04973	7.1
95.08617	19.8
97.06544	5.3
97.10178	13.9
105.07043	22.7
107.04959	4.2
107.08601	18.6
109.06529	2.6
109.10153	10.6
111.04417	1.5
111.08094	3.1
115.05492	1.9
117.07021	14.2
119.08575	13.7
121.06524	2.6
121.10139	13.1
123.08039	2.1
123.11712	2.5
125.09626	11.2
128.06186	1.7
129.06996	7.0
131.08586	18.3
133.10146	10.7
135.08069	2.8
135.11697	7.4
141.06995	1.8
142.07747	1.3
143.08562	7.3
145.06482	2.9
145.10135	19.1
147.08069	2.8
147.11710	6.3
149.09660	1.5
149.13231	2.9
153.12825	2.6
155.05951	1.4
155.08665	3.2
157.10161	6.7
159.08081	1.8
159.11673	10.8
161.09686	1.7
161.13281	5.4
163.11195	6.0
169.10117	5.0
171.10463	1.3
171.11691	7.9
173.09653	3.1
173.13306	5.4
175.14833	1.6
181.10147	3.7
183.11702	4.8
185.09579	1.8
185.13319	5.3
187.11218	1.4
187.14819	5.5
189.11229	5.2
191.10716	2.4
193.12259	1.8
195.11742	3.9
197.13283	3.3
199.14832	2.5
209.13393	2.0
225.16460	1.5
227.12750	9.5
259.20575	2.3
261.22144	3.9
267.15726	1.6
277.21768	2.3
283.20758	2.6
299.23624	11.9
313.12122	2.8
317.24847	1.5
321.21979	1.7
333.24402	3.0
433.31061	6.4
451.32104	11.1
469.33212	5.1
487.34076	2.2
525.35730	19.2
543.36823	100.0
544.37408	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	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01871	6.4
55.05516	22.6
57.03421	1.9
57.07065	3.0
59.05001	2.2
62.72479	1.2
65.03941	2.1
67.05511	37.9
69.03425	2.3
69.07072	10.4
71.05006	3.8
78.92085	1.3
79.05501	33.1
81.03405	7.8
81.07064	31.5
83.04980	9.7
83.08632	12.1
87.70522	1.6
91.05490	25.2
93.07053	27.3
94.06038	1.3
95.04973	7.1
95.08617	19.8
97.06544	5.3
97.10178	13.9
105.07043	22.7
107.04959	4.2
107.08601	18.6
109.06529	2.6
109.10153	10.6
111.04417	1.5
111.08094	3.1
115.05492	1.9
117.07021	14.2
119.08575	13.7
121.06524	2.6
121.10139	13.1
123.08039	2.1
123.11712	2.5
125.09626	11.2
128.06186	1.7
129.06996	7.0
131.08586	18.3
133.10146	10.7
135.08069	2.8
135.11697	7.4
141.06995	1.8
142.07747	1.3
143.08562	7.3
145.06482	2.9
145.10135	19.1
147.08069	2.8
147.11710	6.3
149.09660	1.5
149.13231	2.9
153.12825	2.6
155.05951	1.4
155.08665	3.2
157.10161	6.7
159.08081	1.8
159.11673	10.8
161.09686	1.7
161.13281	5.4
163.11195	6.0
169.10117	5.0
171.10463	1.3
171.11691	7.9
173.09653	3.1
173.13306	5.4
175.14833	1.6
181.10147	3.7
183.11702	4.8
185.09579	1.8
185.13319	5.3
187.11218	1.4
187.14819	5.5
189.11229	5.2
191.10716	2.4
193.12259	1.8
195.11742	3.9
197.13283	3.3
199.14832	2.5
209.13393	2.0
225.16460	1.5
227.12750	9.5
259.20575	2.3
261.22144	3.9
267.15726	1.6
277.21768	2.3
283.20758	2.6
299.23624	11.9
313.12122	2.8
317.24847	1.5
321.21979	1.7
333.24402	3.0
433.31061	6.4
451.32104	11.1
469.33212	5.1
487.34076	2.2
525.35730	19.2
543.36823	100.0
544.37408	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	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01873	7.4
55.05247	1.4
55.05511	24.2
57.03433	4.0
57.07087	2.3
64.02220	1.7
67.05505	33.9
69.03409	1.4
69.07063	12.4
69.24667	7.0
69.25097	7.3
71.04973	2.9
71.08646	1.6
78.07867	1.6
79.05494	35.9
79.86002	1.4
81.03426	7.5
81.07053	31.6
83.04969	7.0
83.08620	13.0
84.18377	1.3
85.06549	2.9
91.05478	25.2
93.07041	27.8
95.04978	6.9
95.08604	20.9
97.06532	3.6
97.10171	14.8
99.08072	1.6
105.07027	19.8
107.04951	3.0
107.08596	19.9
109.06544	4.2
109.10162	10.3
111.04449	3.3
111.08101	2.4
115.05447	2.0
117.07034	10.8
119.08572	15.0
121.06542	3.2
121.10150	9.2
123.08107	3.4
123.11718	2.3
125.09619	10.9
128.06247	2.7
129.07028	8.6
131.08569	18.7
133.06586	1.5
133.10114	12.8
135.08063	4.4
135.11690	9.7
138.77936	1.4
141.07013	3.5
142.07796	2.2
143.08583	10.3
145.06499	3.0
145.10141	14.5
146.97125	1.4
147.08081	2.6
147.10689	1.4
147.11659	8.6
149.09645	3.1
149.13248	3.4
151.11110	2.6
153.12831	3.1
155.08604	5.3
157.10104	10.6
159.08069	2.7
159.11656	10.1
161.09773	1.8
161.13292	2.8
163.11182	7.4
163.14857	1.8
167.08624	2.5
169.10150	5.9
170.15450	3.9
171.08064	2.5
171.11722	5.6
171.15768	1.5
172.13387	1.7
173.09714	2.7
173.11908	2.1
173.13196	6.9
177.12839	1.5
179.14384	1.5
181.10191	2.0
181.12259	1.8
183.11739	4.8
185.09669	1.9
185.13319	5.9
187.11230	1.5
187.14914	4.6
189.11278	5.9
193.10237	1.9
193.12224	2.3
195.11833	2.6
197.13324	3.6
199.11281	1.9
199.14905	5.0
209.11644	2.6
211.14951	2.6
223.14854	2.3
227.12740	8.6
259.20633	3.3
261.14694	1.6
261.22189	2.6
267.15894	1.9
277.21820	1.8
283.20566	2.0
297.22308	1.7
299.20407	2.7
299.23615	12.0
301.21872	2.1
301.65527	1.7
317.25232	1.6
327.23550	1.5
357.24234	2.1
405.31860	2.3
433.31241	4.4
451.32004	11.1
469.33179	5.5
487.34787	2.0
495.48654	2.4
507.34714	3.2
515.37036	2.5
525.35828	18.2
537.88330	2.6
543.36938	100.0
543.49744	4.0
544.37354	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01870	5.6
55.05513	22.2
57.03432	4.8
57.07090	2.3
59.04999	1.9
67.05507	36.1
69.03437	2.9
69.07066	11.8
70.13200	7.5
71.05012	2.3
79.05499	30.2
79.05927	2.5
80.51965	1.6
81.03419	7.5
81.07059	29.6
83.04975	7.2
83.08624	11.1
85.06535	1.8
91.05483	24.6
93.07043	26.6
95.04964	9.0
95.08599	20.5
97.02885	1.8
97.06535	4.1
97.10161	15.6
98.69138	1.7
105.07022	21.0
105.73195	1.4
107.04974	4.8
107.08586	17.6
109.06534	3.0
109.10181	10.1
111.04480	2.0
111.08067	2.2
115.05447	1.9
117.07023	13.2
119.08578	19.6
121.06561	2.2
121.10127	9.5
123.08173	1.9
123.11730	4.8
125.09632	10.7
128.06284	2.2
129.07027	8.6
131.08571	18.9
133.06529	1.7
133.10123	11.2
135.08087	4.0
135.11739	7.0
141.07065	3.1
142.07779	1.8
143.08569	8.4
145.06517	2.0
145.10124	16.3
147.11742	5.8
149.13269	3.6
151.11214	1.6
153.09065	2.3
153.12817	1.8
155.08569	8.0
156.13806	1.4
157.10121	8.2
159.08070	2.9
159.11697	12.1
161.09642	1.7
161.13292	3.7
163.11232	6.2
167.08678	1.7
168.09297	1.5
169.10176	7.1
171.08000	2.1
171.11690	7.2
172.13374	2.2
173.09708	2.4
173.11888	2.1
173.13316	7.1
175.14803	2.5
181.10159	3.6
181.12288	2.0
183.11771	5.4
185.13322	6.0
187.11165	2.5
187.14830	3.8
189.11278	4.5
193.12225	1.6
195.11684	2.9
197.13342	5.1
199.14952	4.0
206.11121	1.6
209.11638	3.0
209.13387	2.4
211.14885	2.3
213.12914	2.2
223.14935	1.7
225.12944	1.7
227.12831	12.4
257.19125	1.9
259.20667	3.3
261.22327	2.1
277.21695	2.7
283.20651	2.5
299.23599	10.3
301.21570	2.7
353.24695	1.8
357.24164	2.2
415.29990	2.6
433.30902	8.2
451.32086	12.5
469.33182	6.6
487.34482	1.9
507.34576	2.4
525.36212	20.7
543.36938	100.0
544.37189	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	544.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.4
55.01864	20.3
55.05509	51.6
56.38158	4.6
57.03431	20.6
59.04987	14.2
60.48982	4.5
67.05505	100.0
69.07082	25.6
71.01357	4.9
71.04998	9.6
71.49931	8.0
73.02905	12.7
79.05502	48.6
81.03423	27.6
81.07064	53.3
83.01350	10.4
83.04979	30.9
83.08626	31.8
85.02908	19.4
87.04450	8.3
91.05478	34.6
93.07046	48.1
95.04977	20.2
95.08628	27.2
97.02895	6.5
97.06525	13.2
97.10165	25.6
105.07026	24.5
107.04932	11.9
107.08556	28.5
109.06547	14.5
109.10162	65.5
111.08081	10.4
117.07005	12.8
119.08594	24.5
121.06467	8.0
121.10133	12.3
123.08057	13.7
125.09606	25.1
125.53841	5.3
126.11857	4.5
130.15895	4.9
131.08609	8.0
135.08102	8.2
135.11713	19.8
137.09622	11.5
145.10132	26.5
147.08052	7.5
147.11673	4.8
153.12733	11.1
153.96721	4.4
155.08548	6.4
163.11168	39.2
173.09654	5.8
173.11713	27.1
181.12181	8.2
191.10767	7.8
199.13284	7.6
209.11746	25.6
227.12840	16.3
229.14281	45.3
229.72090	5.3
275.31982	4.6
283.15427	67.9
301.16443	10.7
324.94592	4.8
355.55008	4.6
419.41867	5.0
437.25241	12.5
509.27383	64.2
527.28491	39.8
544.36554	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	544.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	2.7
53.03939	5.9
55.01862	8.2
55.05273	2.7
55.05509	28.3
56.96551	3.7
57.03433	17.1
59.04989	5.3
61.41074	1.9
67.05502	29.4
69.03419	7.6
69.07066	12.1
70.08357	6.9
70.08734	3.7
71.04977	6.9
71.85893	2.2
73.02917	2.6
79.05493	34.5
81.02938	4.2
81.03413	67.1
81.06609	3.2
81.07057	40.2
83.04973	16.6
83.08623	31.2
85.02902	23.9
85.31354	1.8
91.05482	48.2
93.07046	32.0
95.04957	26.4
95.08606	9.3
97.02877	8.8
97.06513	7.1
97.10155	3.4
99.00817	19.0
103.05447	2.8
105.07018	37.7
107.04958	12.2
107.08597	15.9
109.02867	8.9
109.06513	6.7
109.10125	8.8
111.04414	4.5
111.08065	12.9
115.03904	2.1
115.05411	2.4
117.06995	5.4
119.08577	24.1
121.06483	7.2
121.10113	5.8
123.04456	1.9
123.08076	4.4
123.11693	3.6
125.09585	2.3
127.03898	6.1
128.17697	2.0
129.07056	10.1
131.08598	11.2
133.06410	2.4
133.10132	43.6
135.04462	2.3
135.08049	3.8
135.11674	4.1
137.06056	2.5
137.09615	2.7
139.07547	3.8
143.08551	6.0
145.10065	4.8
146.31288	1.8
147.08031	4.0
147.11679	15.0
149.09615	7.1
151.11163	8.4
157.10059	9.7
161.09636	17.7
163.11165	8.1
165.09056	2.3
165.12715	3.5
171.08015	6.3
173.11769	1.9
175.11203	11.3
179.10692	11.9
189.09145	9.2
193.12248	48.7
197.11684	4.1
207.10107	4.9
211.13275	85.3
220.43393	1.8
225.11180	15.9
227.12730	2.8
229.14336	2.5
243.12199	3.1
267.15912	23.3
281.13846	4.6
283.15366	7.7
285.10217	2.9
285.16965	68.1
299.14859	100.0
433.18411	2.5
445.25513	3.3
447.84665	2.1
458.21545	2.0
472.31235	2.4
473.25421	3.9
491.26514	16.2
509.27466	81.3
528.35889	2.2
572.98633	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	545.1481
Annotation	Scytonemin
Peak:m/z	Relative Intensity
50.98157	0.7
54.70007	0.7
56.96567	0.8
64.03438	0.7
69.03423	2.2
70.06586	1.3
70.67923	1.1
70.68277	1.9
72.08186	1.0
81.03413	0.7
84.04500	0.9
84.08138	1.6
85.02913	3.5
86.09699	2.3
97.02898	1.0
98.97603	0.8
108.75725	0.6
116.98644	1.0
127.03938	0.7
129.10275	1.2
173.02972	0.9
185.04250	2.1
189.05511	1.8
221.04257	6.1
237.02852	1.5
272.37781	0.7
304.11746	1.7
323.05869	0.7
348.10678	1.1
365.07648	1.4
366.11945	1.7
383.09454	40.4
384.13126	3.8
401.09482	1.0
424.12384	1.0
478.99500	0.7
533.86926	0.9
545.14777	100.0
546.16315	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	545.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.05514	2.0
57.28344	1.3
59.05002	3.0
65.03924	1.5
67.05504	7.5
69.03416	2.9
70.06583	3.5
71.01362	3.3
71.49290	1.2
73.38081	1.3
79.05495	15.7
81.03416	5.9
81.07051	2.2
83.04984	4.8
85.02901	6.0
86.09682	2.3
91.05474	6.5
93.03407	2.2
93.07033	6.4
95.04972	25.9
97.02898	5.0
99.04467	1.6
103.03937	2.8
103.05479	6.0
105.07058	1.6
107.04958	100.0
109.02883	39.4
109.06519	4.4
111.04472	6.9
121.06503	11.5
123.04438	5.0
125.02349	5.7
127.03894	3.4
131.04948	3.9
133.02850	2.9
135.04420	33.1
137.06058	3.1
139.03908	29.9
139.07521	1.9
141.84027	1.3
149.05971	19.5
151.03909	20.4
153.04381	1.6
153.05493	8.3
157.04922	6.6
159.04483	3.3
165.05484	63.2
167.07043	20.9
177.05479	45.2
180.98338	1.3
189.12830	1.7
191.06886	1.7
195.06517	26.3
209.08098	41.9
211.16655	1.4
211.83701	1.3
227.09109	12.5
267.61401	1.5
289.99954	1.4
310.23407	1.4
333.09830	1.9
334.21030	1.4
351.10748	13.8
518.94958	1.3
534.47296	1.9
545.25696	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	545.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53599	0.9
51.65899	1.1
53.03944	3.5
55.01862	1.9
56.72594	0.9
59.04994	4.5
61.47186	1.0
65.03945	2.1
67.05513	5.4
69.03416	2.8
69.75982	5.2
70.06580	2.3
71.01342	2.4
71.05016	1.1
77.03928	1.2
79.05495	15.0
81.03421	3.8
81.07045	2.8
83.04968	4.8
84.08133	2.0
85.02897	4.2
86.09705	2.2
89.90882	1.0
91.05481	4.5
93.03409	1.8
93.07031	5.4
95.04391	1.9
95.04967	26.3
97.02890	3.7
99.04451	1.2
103.03937	2.1
103.05450	5.3
105.03384	1.9
105.04486	1.1
107.04957	100.0
109.02148	2.3
109.02876	36.8
109.06495	5.4
111.04443	7.1
111.08154	1.0
120.08069	1.9
121.06506	11.2
123.04410	5.6
125.02369	5.2
125.05976	1.7
127.03927	2.1
129.10309	1.0
131.04910	4.3
133.02864	3.0
135.04414	32.5
135.05458	1.8
137.05971	2.9
139.03906	27.9
139.07518	1.8
141.05473	1.8
149.05986	21.2
151.03899	17.0
153.05481	5.6
157.04987	7.5
159.04404	3.9
165.05478	69.6
167.07033	19.6
177.05478	37.3
177.07082	1.1
183.06606	1.2
185.04416	2.7
191.07034	3.3
195.06523	22.6
209.08083	37.5
227.09119	10.1
265.83859	0.9
334.69016	1.1
351.10794	10.1
387.77155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1993
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
69.03440	0.5
69.07078	0.3
70.06591	0.8
71.22843	0.4
72.08153	0.3
73.02917	0.3
79.05487	0.4
84.08127	0.4
85.02905	0.4
86.09695	1.0
97.02882	0.5
97.06548	0.8
107.04928	0.3
107.08603	0.4
109.02899	0.4
133.06546	0.3
133.10115	0.3
137.09634	0.3
161.06015	0.3
166.49628	0.3
173.63901	0.3
191.14301	0.4
259.09598	0.3
515.18823	1.8
527.19525	0.5
545.19928	100.0
546.20117	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01864	4.7
55.02104	1.3
55.05514	25.2
57.03432	9.8
57.07078	2.9
58.73548	1.1
59.05000	1.4
64.36460	1.1
65.03949	3.7
67.05506	58.9
67.60863	1.1
68.95959	1.2
69.03426	4.3
69.07072	17.1
71.05000	5.4
71.20406	2.5
74.12685	1.2
74.26063	1.1
79.05020	2.9
79.05490	57.6
81.02943	2.1
81.03418	41.3
81.03883	2.5
81.07056	55.6
83.04973	8.8
83.08617	20.5
83.09081	1.8
85.02907	20.8
85.06568	3.3
91.05481	44.9
93.07044	50.7
95.04971	25.8
95.08607	35.6
95.09192	2.4
97.06554	6.1
97.10177	6.9
99.08055	2.1
105.07034	32.6
107.04971	8.3
107.08592	29.2
109.06539	4.5
109.10159	17.5
111.04473	1.8
111.08078	8.0
115.05473	1.9
117.07044	9.4
119.08588	24.6
121.06528	4.8
121.10136	22.1
121.10939	1.5
123.08114	3.1
123.11726	4.5
125.09618	6.6
128.06218	1.5
129.07004	10.5
131.04958	1.9
131.08569	21.7
133.06531	2.3
133.10152	17.8
135.08035	1.6
135.11694	12.8
137.09653	3.4
141.07021	1.7
142.07816	2.0
143.08582	3.3
145.10143	11.3
147.08075	3.0
147.11681	15.0
149.09648	4.7
149.13293	5.5
155.08556	2.7
157.10123	8.4
159.11691	9.8
161.09616	1.4
161.13313	4.0
163.11169	2.1
163.14766	2.0
165.12784	1.3
169.10132	2.1
171.11702	2.7
173.13268	6.1
175.11189	8.0
175.14857	1.4
181.10152	2.5
181.12125	1.2
183.11708	1.9
185.13319	2.3
187.14822	2.6
189.11198	3.7
189.16457	1.4
193.12245	38.4
195.11774	1.6
197.13248	1.3
201.16441	1.8
211.13284	34.7
225.16481	1.5
227.12831	3.6
243.21111	1.8
247.16986	1.5
261.22137	6.3
267.16034	5.5
273.18649	3.6
285.22177	1.5
299.23697	1.4
301.25351	4.9
302.75858	1.4
317.24954	1.5
335.25851	3.7
414.72720	1.2
435.32614	4.7
453.33594	5.4
471.34772	2.4
527.37366	19.2
545.38397	100.0
546.39044	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14383	1.1
51.02357	1.2
53.03941	6.5
55.01871	5.3
55.05511	33.9
57.03435	11.0
57.07072	4.2
59.04995	1.7
60.30123	1.3
64.89169	1.4
65.03949	2.7
67.05505	66.1
69.03423	4.8
69.06734	2.0
69.07069	18.6
71.04990	6.3
71.08626	1.8
71.20963	3.7
72.59634	1.3
79.05493	56.0
81.03421	35.5
81.03884	3.0
81.07056	60.6
83.04984	9.5
83.08623	25.2
85.02900	16.9
85.06543	4.6
91.05483	44.0
93.07047	54.3
95.04969	25.1
95.08604	37.9
97.06525	8.0
97.10158	13.1
105.07028	35.7
105.15620	1.5
107.04974	7.3
107.08595	31.7
109.06484	8.8
109.10146	22.5
111.08081	8.0
115.05476	3.3
117.07025	10.2
119.08583	29.0
119.09386	1.9
121.06523	4.6
121.10155	23.4
123.08089	4.6
123.11709	4.2
125.09645	8.7
129.07014	8.3
131.04909	1.8
131.08568	21.4
133.06496	3.3
133.10138	19.3
135.08078	3.2
135.11728	11.2
137.09642	1.9
141.44832	1.3
142.07680	2.5
143.08560	5.3
145.06488	1.7
145.10129	14.6
147.08107	2.9
147.11685	18.9
149.09636	4.3
149.13281	5.9
155.08592	3.9
157.10159	11.7
159.08118	1.7
159.11707	9.5
161.13216	6.3
163.11131	1.5
165.12784	2.8
169.10127	3.3
171.11719	4.5
172.13332	2.1
173.11894	2.4
173.13304	7.6
175.11224	6.4
175.14815	3.1
179.14270	2.0
183.11771	2.6
185.13339	4.7
187.14839	4.7
189.11241	3.4
189.12744	1.6
193.12231	29.3
197.13268	1.6
199.14832	2.2
201.16269	1.4
207.11574	1.5
211.13266	30.0
211.15033	2.6
227.12726	6.3
261.22119	8.8
267.15814	7.4
279.23123	2.1
285.22052	1.8
299.23779	1.6
301.25195	10.0
335.25854	8.0
335.59366	1.4
359.26160	2.0
388.62756	1.5
406.02542	1.4
417.31744	1.7
435.32642	5.4
453.33716	8.3
471.35123	6.3
509.36566	1.9
527.37341	28.0
545.38354	100.0
546.38953	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38395	1.8
53.03939	2.8
53.72579	1.9
55.01860	6.8
55.05513	34.8
57.03425	7.9
57.07062	2.9
58.46236	2.0
60.20618	2.0
65.03944	3.0
67.05501	67.9
69.03425	3.4
69.07069	18.0
71.04988	5.3
71.08640	2.3
78.90447	1.7
79.05491	46.4
81.03413	25.3
81.07050	62.6
81.73436	1.8
82.74401	1.8
82.75056	2.0
83.04973	9.0
83.08617	22.4
85.02901	3.1
85.06552	4.2
91.05473	38.5
93.07042	44.7
93.07647	2.3
93.79103	2.0
95.04960	21.9
95.08603	40.7
96.14484	2.4
97.06514	5.9
97.10179	21.0
104.45246	2.2
105.07025	32.6
107.04948	8.2
107.08591	32.7
109.06477	9.7
109.10152	24.0
111.08099	5.6
115.05458	3.7
117.07004	16.5
119.08584	25.6
121.06509	5.6
121.10148	20.9
123.08055	4.6
123.11706	8.7
125.09626	16.8
129.06978	9.4
131.08551	23.6
133.06526	3.4
133.10115	21.9
135.08098	7.3
135.11688	14.6
137.09619	3.2
143.08543	8.5
145.06519	2.7
145.10115	18.1
147.08061	4.5
147.11671	13.0
149.09581	5.3
149.13269	7.7
151.11174	3.0
152.67865	2.1
155.08565	5.7
157.10104	11.1
158.49533	1.9
159.11687	15.8
161.09692	2.3
161.13287	8.3
163.11232	5.0
169.10139	6.7
171.11699	6.7
173.13173	11.8
175.11198	4.9
181.10248	2.2
183.11668	3.7
185.13219	5.2
187.03749	2.5
187.14821	7.8
189.11305	10.7
189.12808	2.9
190.68640	2.2
193.12231	10.0
199.14792	3.9
211.13211	2.8
219.17506	2.6
227.12782	15.4
233.15477	2.5
241.19626	2.4
243.15892	3.0
243.21103	2.7
247.16978	3.0
249.14890	2.5
261.22147	12.0
267.15891	19.6
279.23193	3.6
285.22083	4.8
299.23660	2.5
301.25198	19.8
303.23096	2.3
335.25778	13.4
359.26129	3.0
417.26367	2.7
417.31369	4.2
421.25943	4.7
435.32703	7.3
453.33633	15.5
471.34610	8.1
509.36179	3.2
527.37323	58.6
545.38409	100.0
546.39050	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01867	4.0
55.05513	30.1
57.03440	8.2
57.07071	2.7
65.03924	4.8
67.05505	63.6
69.03420	4.3
69.07067	18.3
70.76471	1.1
71.04994	7.3
71.08643	1.3
71.49621	1.6
71.50024	1.9
73.06518	1.3
79.05495	64.4
80.05815	1.6
80.63671	1.3
81.03420	44.1
81.07057	64.1
82.07400	1.6
83.04980	10.5
83.08616	23.7
85.02907	19.5
85.06534	2.6
91.05477	50.4
93.07043	59.6
95.04968	27.0
95.08607	35.5
97.02901	2.6
97.06537	5.4
97.10161	7.5
99.08091	3.1
103.05466	1.7
105.04523	2.0
105.07035	38.9
107.04958	4.8
107.08593	29.1
109.06503	6.3
109.09487	2.0
109.10151	15.7
111.04451	1.5
111.08093	11.1
111.08836	1.6
113.06024	2.3
117.07034	10.7
118.13365	1.0
119.08584	30.7
119.09399	2.2
121.06522	3.6
121.10136	25.4
123.08106	3.6
123.11684	6.0
125.09631	5.8
129.07030	9.9
131.08568	20.1
133.06487	2.8
133.10130	17.7
135.08035	1.4
135.11693	13.3
137.09660	1.8
141.07045	1.5
142.07779	2.2
143.08553	5.9
145.10106	8.4
147.07988	1.2
147.11693	18.7
149.09598	6.3
149.13281	6.7
155.08488	1.3
157.10138	12.2
159.11693	7.5
161.13300	3.6
163.11192	3.3
163.14822	1.5
165.12766	2.9
169.10144	2.9
171.11700	4.6
173.11934	1.3
173.13255	6.6
175.11169	10.2
175.14870	3.2
183.11816	2.3
185.13264	3.9
186.44478	1.4
187.14853	3.8
189.11246	3.2
193.12238	44.3
195.11897	1.3
197.13261	2.3
209.15382	1.3
211.13275	45.2
227.12831	4.5
261.22232	7.0
267.15891	7.6
285.22134	1.3
299.23740	2.0
301.25351	5.1
303.23462	1.4
317.24948	2.8
335.25928	4.2
435.32693	5.4
453.33771	3.1
471.34686	4.3
517.29364	1.2
527.37274	21.0
545.38440	100.0
546.38928	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.01875	5.0
55.05514	36.0
57.03448	10.6
57.03679	1.8
57.07078	3.7
57.69903	1.7
65.03940	3.4
67.05505	70.9
69.03420	3.0
69.07075	19.6
69.25578	14.2
69.25992	3.7
71.04994	4.4
71.08649	2.4
73.10902	1.9
79.05499	38.8
81.03416	22.7
81.07056	60.9
83.04979	5.2
83.08617	21.0
85.02874	2.6
85.06554	3.4
86.09753	2.1
91.05481	37.9
91.06031	3.0
93.07043	39.6
95.04958	19.7
95.08602	40.0
97.06534	6.2
97.10168	18.3
99.08114	2.2
105.07027	36.2
106.58107	2.1
107.04976	5.2
107.08587	29.6
109.06541	5.4
109.10155	27.0
111.08086	4.6
117.07024	16.9
119.08577	28.9
121.06525	8.9
121.10133	17.4
122.89217	1.9
123.08073	5.2
123.11737	9.1
125.09624	15.9
128.06219	2.3
129.06987	9.9
131.08574	23.4
133.06554	2.2
133.10149	23.0
135.08101	6.5
135.11703	14.7
137.09697	3.4
142.07809	2.6
143.08568	10.3
145.10101	17.2
147.08083	4.7
147.11682	13.6
149.09641	3.1
149.13266	8.0
151.11229	2.0
155.08551	3.2
157.10109	12.7
159.11705	15.6
161.13312	8.1
163.11185	2.6
163.14734	2.3
169.10170	4.4
171.11745	8.2
173.09592	2.5
173.11836	3.7
173.13335	7.8
175.11287	2.8
175.14905	4.7
177.12749	3.6
177.16536	1.9
181.10127	2.9
183.11786	7.4
185.13306	5.6
187.14825	4.9
189.11269	8.5
193.12201	8.9
197.13264	3.4
199.14928	3.7
201.16484	4.4
201.73090	1.9
211.13321	5.3
227.12766	12.1
261.22235	7.9
267.15952	18.0
275.20145	2.4
277.21777	2.3
285.22052	3.4
295.22623	2.3
299.23495	2.9
301.25192	14.8
317.24969	3.0
327.23581	2.5
335.25845	14.1
359.26022	4.3
361.24008	2.6
403.25073	2.9
417.31580	2.2
421.25909	4.5
435.27536	2.0
435.32718	7.8
453.33749	15.4
471.34656	11.6
527.37311	52.4
527.44647	3.5
545.38507	100.0
546.39050	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	546.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01862	2.5
55.05511	9.0
57.03434	4.6
57.07066	2.0
62.06059	1.0
65.03946	0.9
67.05190	1.3
67.05507	16.2
69.03410	1.5
69.07071	7.8
71.04997	2.1
71.08617	3.8
71.49827	1.3
79.05490	12.7
81.03413	6.7
81.07051	18.0
83.04984	4.7
83.08622	5.2
85.02892	1.2
85.06548	2.1
91.05487	8.7
93.07048	11.9
95.04964	4.0
95.08600	10.5
95.44300	0.8
97.06554	5.4
97.10157	2.9
98.98462	2.8
99.08076	2.9
101.14352	0.7
105.07024	10.4
107.04954	2.5
107.08588	10.3
109.06505	7.1
109.10146	7.0
111.04456	0.9
111.08086	3.2
117.07018	2.1
119.08589	12.7
121.06550	2.0
121.10149	4.3
123.08074	13.1
123.11720	1.7
125.09605	2.3
129.07028	2.1
131.08571	4.8
133.10144	8.8
135.08032	7.1
135.11726	4.7
137.09593	1.8
137.13239	1.0
145.10130	5.3
147.08099	1.1
147.11679	9.4
149.09622	2.7
149.13234	1.1
157.10197	2.7
159.11694	1.8
159.42096	0.8
161.13263	1.3
163.11165	2.5
163.14981	1.0
165.12738	1.2
167.14333	1.0
173.11722	2.2
173.13239	1.3
175.11162	2.5
175.14832	6.3
177.12756	2.6
179.14296	19.1
186.59055	1.0
189.11128	0.8
191.14337	1.2
193.12274	5.1
193.15932	1.6
198.05267	1.2
205.15846	3.3
211.13287	2.7
216.06340	1.3
229.14383	4.1
263.20007	1.3
267.15836	8.0
275.20062	1.4
289.21674	6.0
293.21109	3.1
303.26831	1.5
319.22568	1.9
331.26309	8.7
337.23584	1.0
349.27365	4.8
374.30563	10.9
375.28903	3.0
387.28955	6.5
405.29987	100.0
406.30307	4.0
421.25565	2.5
485.26328	2.1
493.27820	1.2
503.27374	5.4
511.28824	1.1
546.32007	1.2
547.22333	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	546.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01862	2.5
55.05511	9.0
57.03434	4.6
57.07066	2.0
62.06059	1.0
65.03946	0.9
67.05190	1.3
67.05507	16.2
69.03410	1.5
69.07071	7.8
71.04997	2.1
71.08617	3.8
71.49827	1.3
79.05490	12.7
81.03413	6.7
81.07051	18.0
83.04984	4.7
83.08622	5.2
85.02892	1.2
85.06548	2.1
91.05487	8.7
93.07048	11.9
95.04964	4.0
95.08600	10.5
95.44300	0.8
97.06554	5.4
97.10157	2.9
98.98462	2.8
99.08076	2.9
101.14352	0.7
105.07024	10.4
107.04954	2.5
107.08588	10.3
109.06505	7.1
109.10146	7.0
111.04456	0.9
111.08086	3.2
117.07018	2.1
119.08589	12.7
121.06550	2.0
121.10149	4.3
123.08074	13.1
123.11720	1.7
125.09605	2.3
129.07028	2.1
131.08571	4.8
133.10144	8.8
135.08032	7.1
135.11726	4.7
137.09593	1.8
137.13239	1.0
145.10130	5.3
147.08099	1.1
147.11679	9.4
149.09622	2.7
149.13234	1.1
157.10197	2.7
159.11694	1.8
159.42096	0.8
161.13263	1.3
163.11165	2.5
163.14981	1.0
165.12738	1.2
167.14333	1.0
173.11722	2.2
173.13239	1.3
175.11162	2.5
175.14832	6.3
177.12756	2.6
179.14296	19.1
186.59055	1.0
189.11128	0.8
191.14337	1.2
193.12274	5.1
193.15932	1.6
198.05267	1.2
205.15846	3.3
211.13287	2.7
216.06340	1.3
229.14383	4.1
263.20007	1.3
267.15836	8.0
275.20062	1.4
289.21674	6.0
293.21109	3.1
303.26831	1.5
319.22568	1.9
331.26309	8.7
337.23584	1.0
349.27365	4.8
374.30563	10.9
375.28903	3.0
387.28955	6.5
405.29987	100.0
406.30307	4.0
421.25565	2.5
485.26328	2.1
493.27820	1.2
503.27374	5.4
511.28824	1.1
546.32007	1.2
547.22333	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	547.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87469	3.9
53.03935	6.1
55.01857	11.4
55.05276	4.7
55.05510	47.7
56.80194	3.7
57.03423	6.1
57.07061	12.4
60.86740	4.5
62.84790	3.6
63.19098	3.7
65.69356	3.7
67.05507	58.9
69.07066	37.1
69.86794	24.0
71.04994	4.9
71.08619	7.3
72.17113	3.7
77.66808	4.3
79.05493	44.8
81.03397	19.0
81.07053	72.0
83.01289	5.4
83.04979	9.6
83.08628	29.0
91.05482	29.8
92.59683	4.1
93.07048	47.4
95.04960	17.0
95.08606	66.2
97.06530	12.3
97.10164	22.7
99.08063	4.1
105.07036	22.6
107.04959	14.0
107.08584	29.5
109.06503	5.7
109.10177	25.8
111.08067	4.2
117.07007	12.5
119.08563	23.8
121.06505	9.4
121.10171	20.8
123.04419	5.1
123.08055	6.1
125.09634	6.2
129.07028	5.6
131.08563	15.1
133.10083	8.6
135.11716	29.6
139.07465	4.2
145.10132	22.2
149.13284	6.0
157.10179	7.5
159.11624	4.9
163.11171	30.5
169.10185	6.4
189.11156	6.1
193.12090	5.0
209.11685	5.6
227.12843	36.9
235.13213	4.9
267.15936	6.8
281.16388	4.3
293.21198	6.5
299.17950	4.4
303.26849	7.4
357.93347	5.4
377.84418	4.8
455.35269	9.8
511.47333	4.7
529.38776	19.8
547.39368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01873	2.2
55.05510	8.4
57.03428	3.8
57.07079	1.7
61.02931	7.8
62.77524	1.1
65.03943	1.3
67.05513	7.0
69.03424	17.5
69.07069	15.3
69.44705	9.7
70.06589	3.3
71.04974	2.6
73.02911	2.8
79.05501	4.6
81.03400	3.8
81.07045	8.0
83.01353	1.8
83.04980	13.7
83.08633	2.7
84.08167	2.2
85.02910	22.2
85.06534	2.3
86.09694	3.4
87.04465	1.1
91.03966	5.4
91.05473	6.7
93.07054	9.4
94.66354	1.1
94.74239	1.0
95.01332	6.6
95.04967	7.9
95.08609	21.6
97.02878	7.5
97.06496	6.2
97.10157	7.0
99.04446	2.3
105.07024	17.3
105.07694	1.2
106.06603	1.5
107.08595	12.1
109.02888	3.6
109.06531	4.8
109.10172	13.7
111.04445	3.3
111.08150	1.9
113.02396	1.1
113.06002	2.5
115.03881	1.4
117.07007	1.8
119.03423	1.4
119.08578	47.4
120.09391	2.3
121.06505	4.2
121.10143	20.6
123.04453	3.9
123.08025	6.6
123.11680	6.8
125.06009	2.7
125.09664	2.1
127.03909	4.8
131.08560	3.6
133.10121	72.7
134.10916	1.4
135.04427	1.3
135.08061	7.9
135.11653	3.3
137.05978	7.6
137.09624	2.5
139.03915	5.1
141.01831	3.4
141.05450	1.8
143.03394	4.9
143.08553	1.8
145.04959	4.0
145.10126	5.0
147.08058	2.5
147.11693	24.2
149.05988	1.9
149.09616	1.4
151.03882	1.4
151.07654	2.7
153.05481	3.9
153.09096	2.9
157.04987	5.4
157.10162	2.2
159.06624	2.1
159.11725	2.2
161.09637	2.4
161.13252	8.8
163.11151	2.5
165.05530	2.0
165.09142	1.5
166.39906	1.3
167.07045	3.7
169.04944	1.4
173.09674	1.4
173.13290	4.3
175.07523	1.8
175.14818	88.0
176.15622	7.7
177.03932	4.2
177.05362	1.4
179.07019	4.3
181.05060	1.6
183.06548	8.4
185.04420	1.6
185.08090	4.9
185.13217	2.0
187.14888	2.4
189.09166	3.4
193.08632	2.1
193.15897	9.5
203.05460	6.1
203.14279	3.3
209.11797	1.2
211.05965	6.1
213.07564	4.0
215.05463	18.5
215.14357	2.1
217.08568	2.0
225.11227	5.2
229.07076	26.8
235.09665	2.2
239.09258	1.5
243.08626	8.4
253.10739	4.3
255.11310	1.2
255.13818	2.1
257.10175	10.0
268.12134	1.2
269.15244	1.7
271.11768	34.2
287.16501	3.1
295.11594	1.4
305.14258	1.4
305.17313	6.9
313.11780	6.4
315.16101	1.6
323.18500	1.4
333.16940	1.8
342.12280	2.1
351.18005	100.0
352.18604	1.6
369.18820	3.6
373.13974	12.4
385.18277	2.3
386.18262	5.5
443.14932	1.2
489.14777	2.2
517.14429	4.6
548.24200	8.7
548.36871	1.6
549.17188	4.0
550.60382	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	549.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
55.01860	3.7
57.03430	7.9
61.02913	7.8
65.44080	3.5
67.05491	3.9
69.03434	36.3
69.07059	4.7
70.06587	12.3
71.05002	3.7
71.49208	5.7
72.08157	6.0
73.02904	7.0
74.06077	4.7
79.05491	5.6
81.03416	17.7
81.07047	4.5
81.50021	3.1
83.04984	3.3
84.04526	3.5
84.08142	7.8
85.02905	65.5
86.09708	7.2
87.04474	5.8
91.03958	4.3
91.05487	8.1
93.07048	5.9
95.04991	15.6
95.06077	4.4
95.08611	51.0
97.02904	23.2
98.97569	4.8
99.04469	4.7
105.07021	13.3
107.04964	8.4
107.08578	3.5
109.02859	7.9
109.10159	4.5
110.57809	3.1
111.05563	7.5
116.98610	4.4
119.08588	19.9
120.08059	5.0
121.10127	9.5
123.04415	4.4
123.05508	4.4
123.08097	9.3
125.02400	3.2
127.03961	19.2
129.10257	4.6
133.06508	7.3
133.10127	13.8
135.04419	4.3
135.11699	34.0
136.18710	3.2
137.05968	10.9
137.09601	7.3
137.13297	5.3
139.03918	6.7
141.06589	8.3
145.04971	9.1
145.10074	4.3
147.04387	5.0
147.11644	16.4
149.06020	3.7
149.09619	27.8
151.03894	16.3
151.07472	5.2
158.99695	3.7
161.13280	45.2
161.78165	4.0
164.12453	3.0
165.05455	13.2
165.09065	7.8
167.06961	6.0
170.41072	3.4
170.99641	3.3
173.12857	6.4
177.00732	3.7
177.05476	4.9
179.14322	4.6
189.12750	42.0
193.04982	8.3
201.12439	3.5
204.06635	3.6
205.06117	10.9
207.13802	100.0
225.14784	7.4
237.03098	3.8
245.12788	4.4
249.78099	3.2
264.06577	4.8
281.07800	30.0
281.58044	11.4
285.12451	5.2
287.03802	4.1
339.19104	6.2
362.10394	13.1
362.61118	4.2
369.20279	21.8
387.10657	5.1
387.21094	5.9
549.18152	4.9
549.25708	14.2
557.43268	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	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88312	1.4
53.03953	2.3
53.22393	1.4
54.49723	1.2
55.01873	1.5
55.05508	2.0
56.05044	1.7
57.03459	2.1
67.05509	5.6
69.03446	11.0
69.07067	5.5
70.06594	12.5
71.05018	3.3
71.63056	1.3
72.08168	2.1
73.02946	3.0
79.05492	3.2
81.03432	6.2
81.04546	2.8
81.07065	4.4
82.46004	1.6
83.04981	1.7
84.04527	3.1
84.08156	4.3
85.02906	25.4
86.09724	4.1
87.04492	1.9
91.03956	3.0
91.05504	3.9
93.07050	3.3
95.04986	4.6
95.06122	3.3
95.08612	16.7
97.02900	7.5
97.06532	1.8
97.89597	1.3
97.90272	1.3
98.21630	3.7
98.97615	2.5
99.04462	2.9
101.91941	1.4
105.07048	5.4
107.04959	4.2
107.08642	3.1
109.02885	3.8
109.06556	3.0
109.10152	3.0
111.05586	12.0
115.08788	1.5
116.98641	2.7
117.07039	1.5
119.08632	4.9
121.06543	1.8
121.10164	1.7
122.06052	1.5
123.04648	1.3
123.05554	8.4
123.08067	8.8
127.03957	5.8
127.05040	2.2
129.10252	2.5
131.04926	1.6
133.06622	2.1
133.10162	3.5
135.04456	2.3
135.11722	4.6
137.06033	3.0
137.09642	11.9
139.03937	2.6
141.06583	14.5
143.08601	1.9
145.04999	2.5
146.03667	2.2
147.04480	3.2
147.11743	4.2
149.05965	3.0
149.09653	8.0
151.03920	2.8
151.07582	3.6
153.08955	1.5
160.50694	1.4
161.13312	5.7
163.03961	4.5
163.11197	1.7
165.05482	2.9
165.12819	2.6
167.07051	2.4
177.00780	2.7
177.05492	7.6
178.06325	4.5
181.09819	3.1
189.00815	1.9
189.12727	7.4
191.12003	1.6
202.11017	2.0
203.11816	4.0
204.12604	29.1
204.14362	2.3
205.13388	2.3
207.13818	27.8
207.15526	2.3
215.11923	3.9
225.14799	2.9
227.11926	3.5
229.13367	23.4
230.14108	3.1
230.76828	1.6
237.02789	2.7
241.13373	2.1
252.44151	1.4
253.25703	1.5
257.12872	17.4
259.14438	27.4
266.83896	1.7
285.12363	70.0
301.15607	6.4
305.09177	2.4
305.18582	1.6
315.18005	1.4
317.14984	40.2
318.15848	3.3
321.18439	1.5
323.19678	3.0
339.08774	2.0
339.19144	11.5
351.19077	6.9
354.10474	1.5
355.16763	3.9
357.00009	1.6
357.09775	3.4
359.19778	3.9
369.20264	36.1
369.24600	2.9
387.19101	38.3
394.88495	1.4
531.25281	9.5
549.24780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01867	4.6
55.05510	1.6
57.03436	7.5
57.07065	3.2
59.04997	1.8
61.02905	10.2
67.05504	4.0
69.03429	32.9
69.28158	2.9
69.28577	5.9
70.06581	2.4
71.04591	0.7
71.04990	3.8
73.02940	4.5
79.05486	4.0
81.03419	13.2
81.07056	5.6
83.04972	2.2
83.08605	1.2
85.02904	100.0
86.09685	1.2
87.04490	4.6
91.03950	5.9
91.05471	3.2
93.07050	3.3
95.04965	4.1
95.08618	7.4
96.88296	0.9
97.02892	36.7
97.06533	4.6
99.04445	7.0
105.07026	7.8
106.06583	1.1
107.04949	3.1
107.08604	5.8
108.05727	1.3
109.02876	11.9
109.06499	6.3
109.10161	1.9
111.04420	2.1
115.03958	1.3
117.07016	1.1
119.08618	4.3
120.08099	1.9
121.06523	3.3
121.10139	4.0
123.04472	0.9
123.08067	49.2
125.05980	3.1
127.03912	28.1
131.08557	2.7
133.06479	3.1
133.10098	6.3
135.08063	1.2
135.11694	1.8
136.07582	1.2
137.05956	6.7
137.09598	1.0
139.03896	1.8
145.04958	42.1
145.10147	3.6
147.07962	1.1
147.11702	3.7
149.09604	3.0
151.03983	2.2
151.07542	82.2
153.05424	1.3
153.09105	4.9
161.13271	2.3
163.06023	6.5
163.11169	17.1
165.05527	1.5
165.12781	1.7
167.07030	5.4
171.06514	3.1
173.13210	1.4
177.05481	2.4
178.06200	1.4
179.14336	1.0
181.12245	9.7
183.04135	2.1
183.22012	0.9
189.07597	3.0
189.12749	17.9
191.14291	5.4
192.11461	1.5
199.08775	1.5
204.06526	1.0
207.13794	66.4
209.15349	8.1
211.08720	2.5
212.09357	1.1
213.10239	1.7
223.13318	1.7
225.10245	4.4
225.14787	14.6
226.07335	3.0
226.10931	1.9
227.08148	3.7
227.11827	1.3
239.11794	1.9
240.12517	1.2
241.09607	4.8
242.10471	1.7
253.09760	2.9
255.11285	2.8
257.12775	4.3
267.11389	3.0
268.12006	4.3
269.09537	1.2
269.12503	1.1
273.07993	3.9
273.58218	5.2
274.08444	1.5
284.37421	1.0
295.10919	1.7
296.11597	2.5
299.10342	1.1
313.11874	8.1
314.12561	4.8
341.11288	1.5
342.12003	11.6
369.10550	1.4
369.19101	3.6
374.14462	2.6
387.15637	1.3
387.20126	9.2
388.23477	1.1
419.22125	1.1
473.15353	1.2
489.14877	6.6
517.07385	1.4
517.14587	19.3
518.14978	1.4
531.24390	5.8
549.17700	13.1
549.25128	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	549.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64882	1.4
53.03946	2.4
55.05512	28.3
57.03429	7.6
57.07084	7.5
65.03940	1.6
67.05506	38.0
69.03428	2.3
69.07071	34.0
70.56615	4.3
71.04984	4.9
71.08636	3.4
75.55114	1.3
79.05494	17.2
81.03420	36.2
81.07057	43.3
81.07547	2.2
83.04984	7.2
83.08619	32.1
85.02908	17.7
85.06518	3.0
91.05473	17.2
93.07049	18.9
95.04972	16.0
95.08608	30.0
97.02879	1.5
97.06529	3.8
97.10176	13.4
98.21497	1.7
98.25362	1.4
105.07021	13.5
107.04982	1.8
107.08588	10.9
109.06528	2.9
109.10142	12.9
111.04440	1.6
111.08108	6.6
111.11737	2.9
113.09647	1.5
115.05448	2.4
119.08557	9.5
121.06473	1.6
121.10152	12.3
123.11716	3.8
127.32769	1.5
129.07036	5.3
131.08574	6.0
133.10144	5.1
135.11707	9.4
137.09564	1.5
138.95543	1.6
145.10149	1.9
147.11717	8.7
149.09593	3.4
149.13275	1.9
151.14883	2.3
157.10133	8.8
165.12779	1.9
169.93976	1.5
175.11157	10.3
192.86815	1.3
193.12247	42.5
193.13911	2.5
211.13284	46.7
247.24318	2.4
249.71040	1.5
265.25345	7.6
267.16016	5.1
339.29080	3.7
457.36649	2.6
531.39862	6.5
549.41559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
53.53292	0.9
54.87307	0.7
55.01861	1.8
55.05512	31.9
57.03440	7.0
57.06835	0.9
57.07076	8.5
59.11908	0.6
65.03918	1.9
67.05504	40.1
69.03426	3.2
69.07067	38.1
69.59383	2.5
69.59817	2.8
71.04990	5.1
71.08633	3.9
79.05026	1.0
79.05495	23.3
81.03417	43.7
81.07054	43.6
81.07542	1.9
83.04988	8.5
83.08619	37.8
85.02903	23.5
85.06561	1.9
85.10188	2.3
91.05485	23.6
93.07040	21.8
95.04964	18.1
95.08609	34.6
97.02882	1.6
97.06532	4.7
97.10168	15.4
99.08080	0.8
105.07026	16.8
107.04952	4.1
107.08594	10.4
109.06501	2.8
109.10164	15.7
111.04452	1.6
111.08077	9.8
111.11717	3.4
113.06004	2.1
113.09628	1.4
115.05442	1.5
117.07032	2.1
119.08586	13.2
121.06507	0.8
121.10145	16.2
123.08074	2.4
123.11709	5.5
125.09631	1.3
127.07597	0.9
129.07019	7.0
131.08585	7.2
133.06496	1.9
133.10127	8.1
135.11690	8.4
137.09610	1.2
137.13258	1.6
142.07809	2.3
145.10161	1.4
147.08057	2.6
147.11697	9.5
149.09641	5.3
149.13303	2.2
151.14806	1.9
157.10146	8.2
163.14912	1.0
165.12752	1.8
165.16354	1.4
175.11176	10.8
179.14478	0.8
185.30910	0.7
193.12241	43.7
207.54749	0.8
211.13293	47.8
247.24345	2.7
265.25247	8.8
267.15881	5.1
320.21530	0.9
339.28934	3.1
457.36749	3.1
475.38510	0.9
531.40558	5.9
549.41516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12949	4.6
53.03949	5.4
55.05511	46.9
57.03430	13.0
57.07069	20.1
59.34344	4.3
67.05506	57.8
69.03423	6.0
69.07074	44.7
70.09688	8.2
70.10043	19.7
71.08635	10.5
72.30670	4.8
79.05491	46.5
81.03426	45.4
81.07058	61.0
83.04977	10.3
83.08617	44.3
85.10160	6.6
91.05485	34.2
93.07047	40.7
95.04967	42.2
95.08617	45.8
96.68642	4.8
97.06554	10.2
97.10178	20.6
105.07053	25.3
107.04933	8.2
107.08585	30.6
109.06536	5.9
109.10174	26.6
111.08070	8.4
117.07001	9.5
119.08596	24.8
121.10171	30.0
123.11694	9.8
125.09629	8.6
129.06993	7.1
131.08572	17.1
133.10106	19.4
135.11693	15.1
143.08540	7.5
145.10098	13.7
147.08096	4.8
147.11697	10.5
149.13318	5.0
157.10100	13.2
161.13210	6.7
175.11166	6.8
183.11649	4.4
189.11182	5.2
193.12230	30.9
199.14772	6.5
211.13251	11.6
249.14828	6.7
265.25198	6.0
267.15915	30.6
339.28970	26.5
457.36725	70.1
475.37857	11.9
514.78070	5.3
531.40405	77.4
549.41583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77405	0.8
55.01857	1.6
57.03397	0.8
61.02914	2.3
62.18153	0.8
69.03431	4.3
69.82429	4.2
70.06571	1.4
81.03425	1.6
85.02911	18.2
87.04447	1.1
89.03926	2.2
89.86469	0.8
91.03970	1.1
91.05463	0.7
95.01325	2.0
97.02883	4.0
99.04483	1.0
107.04914	1.7
109.02856	1.7
109.96532	0.8
117.03388	3.2
119.04958	1.2
123.04440	1.1
127.03934	3.0
135.04411	10.5
136.05081	1.2
138.03050	1.7
139.03893	2.6
141.01860	1.8
145.02905	6.5
145.04988	2.2
147.04399	4.8
149.02338	2.3
149.06018	0.9
153.05469	100.0
159.04387	1.0
161.05986	2.2
163.03908	95.0
165.05460	1.1
175.03938	2.0
177.01848	5.4
177.04007	1.8
177.05470	2.4
181.04939	4.3
187.03885	2.1
189.05457	2.6
191.03410	1.6
195.06534	51.4
201.05507	1.4
203.03395	47.3
205.04951	4.2
215.03444	6.5
217.04936	1.2
219.02931	0.9
221.04616	1.3
226.78746	0.9
229.04973	1.7
231.02922	6.6
233.04387	4.7
235.05914	1.2
237.02945	1.5
257.04349	1.7
261.03955	7.7
275.05453	2.5
279.05011	13.0
279.07938	1.4
291.04980	12.5
303.05096	2.4
314.50662	0.8
321.06042	9.8
339.07114	63.1
357.08081	1.6
371.09848	5.7
550.21460	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	550.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
54.25217	0.9
55.05521	1.1
57.03445	0.9
62.53022	0.8
67.05494	2.1
69.03416	3.5
69.07040	1.5
70.06604	1.4
70.44196	1.0
71.01475	1.9
73.02917	1.7
79.05490	1.9
81.03423	2.2
81.07032	1.3
85.02898	7.5
86.09703	1.8
91.05465	2.7
92.16534	0.9
92.50053	1.0
93.07039	2.9
95.04956	3.7
95.08610	1.3
97.02885	5.0
97.06536	2.1
99.04397	1.2
100.11269	1.1
103.05463	1.8
105.07028	3.8
106.06517	1.5
107.04964	4.4
107.08624	1.5
109.02890	2.7
115.05442	1.8
119.04974	1.0
119.08577	1.2
120.08159	1.4
121.06507	1.8
123.04391	1.5
125.02356	1.3
127.03929	2.4
130.06526	19.1
131.04930	2.7
132.04459	1.2
132.08072	2.3
133.06450	1.7
133.10147	1.4
135.04448	0.9
145.04950	1.1
146.05969	1.0
147.11688	1.1
148.07523	1.6
149.05957	2.7
151.03894	3.7
153.07004	1.1
156.04504	1.4
156.08200	1.0
158.06027	5.4
159.04337	0.9
167.07239	2.6
168.08115	1.2
170.09608	1.5
172.07593	3.8
173.13333	1.3
174.05508	2.5
176.07086	3.4
177.05507	2.9
180.08076	5.9
182.06046	1.7
184.07567	2.1
188.07094	1.2
191.14388	1.9
194.08127	2.0
196.07588	7.2
197.08376	1.6
198.05534	1.1
198.09154	3.1
200.07074	3.9
202.08685	3.4
203.17979	1.1
206.05963	1.5
207.06821	1.1
208.07597	13.8
208.11053	1.1
210.09117	6.0
211.06219	1.8
220.07513	2.5
224.07062	1.8
224.10773	2.0
226.08612	36.9
228.06505	9.0
234.09108	1.2
235.06303	1.3
236.07036	28.7
236.10721	2.1
237.07768	2.8
238.08511	3.3
248.07013	2.2
250.12320	3.1
252.10291	2.5
254.08130	10.8
254.11798	6.0
260.10641	4.0
262.05008	13.3
262.08551	2.0
263.09378	2.0
264.06546	21.2
264.09113	1.7
272.09183	3.8
278.11746	6.4
280.06000	4.3
280.09729	3.5
282.07639	31.8
282.11102	4.8
284.09076	1.4
288.10089	2.2
296.12857	1.5
298.08426	1.2
300.08698	51.5
300.12256	4.4
306.11282	4.9
310.10660	1.4
316.09433	2.1
318.09702	19.8
322.11139	1.2
324.12274	6.8
326.10233	3.9
334.10718	8.2
342.13516	2.2
352.11789	37.7
370.12827	65.2
388.13885	100.0
389.13962	1.8
423.64514	1.1
532.17792	1.6
549.40161	2.2
550.21136	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	550.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.05496	0.9
57.07055	0.4
61.02913	0.4
65.03934	0.5
67.05508	1.7
69.03429	1.6
69.07064	1.3
69.60723	1.5
69.61144	0.7
70.06581	1.0
79.05496	2.3
81.07054	2.5
82.06566	0.3
84.08151	0.4
85.02912	3.1
88.27076	0.3
91.05482	7.5
93.07024	2.0
95.04967	0.4
95.08579	1.2
97.02903	1.0
98.21490	0.7
103.05445	0.5
105.07034	8.2
107.04970	0.6
107.08572	2.2
109.02868	0.6
109.10158	0.6
109.27377	0.3
111.08084	0.4
115.05429	1.2
116.06227	1.7
117.07013	3.0
117.56435	0.3
119.08585	11.9
121.10144	2.0
123.08038	0.3
127.03863	0.6
128.06210	1.5
129.06999	5.0
130.05057	0.3
130.07813	1.8
130.96289	0.3
131.08563	21.7
133.10130	6.2
135.08005	1.0
136.07573	0.3
137.06013	0.4
137.09604	0.3
142.07808	0.8
143.08557	16.8
144.09341	3.9
145.04951	0.4
145.10124	11.9
147.11687	2.1
149.13274	1.4
149.25499	0.3
156.09373	1.0
157.10158	0.9
158.10910	15.5
171.11775	0.4
172.18842	0.3
173.13258	100.0
174.13583	1.2
175.14821	13.4
190.75626	0.3
191.14304	23.3
193.15915	0.5
209.15387	1.4
353.19568	0.4
550.19586	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	550.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.5
55.01868	5.7
55.05493	8.8
56.67812	2.1
57.03442	14.7
57.07075	1.7
61.02928	11.3
65.03948	3.2
67.05509	23.2
67.11182	1.7
69.03432	27.1
69.07077	11.0
70.02966	3.4
70.69534	3.8
70.69923	4.1
70.79977	1.9
71.01357	4.3
73.02919	72.7
79.05487	15.5
81.03422	4.7
81.07062	50.4
83.05025	2.2
83.08614	4.0
85.02908	63.6
85.06541	2.9
87.04470	5.5
91.03963	3.8
91.05488	20.7
91.24880	1.8
93.07047	34.4
95.04967	4.6
95.08608	58.4
95.21282	1.6
97.02898	48.2
97.06520	5.7
97.10168	3.2
99.04462	6.2
99.28003	1.7
105.07034	65.8
107.08595	58.5
109.02876	4.6
109.06540	2.1
109.10162	41.7
109.10869	3.4
111.08057	1.8
111.11751	1.9
114.05523	3.8
115.03177	3.0
115.03926	24.2
117.06985	2.4
119.08579	41.3
121.10154	20.7
121.49557	2.2
123.11675	9.9
127.03940	15.5
131.08585	2.3
133.04977	26.0
133.10135	27.6
135.11691	13.2
137.05914	1.9
145.04956	24.9
145.10077	4.6
147.11679	46.7
147.12839	2.9
148.58141	1.7
149.13245	3.0
149.69919	1.8
150.78094	1.9
151.11203	2.4
159.11757	4.1
161.13258	19.9
163.06059	8.4
163.14854	8.4
173.13275	3.6
175.14822	7.6
189.16425	3.4
201.16406	3.2
203.17973	100.0
205.19456	2.2
213.16487	2.2
221.19119	9.7
223.05998	2.9
241.06987	4.5
259.08206	5.6
335.22073	2.7
523.39294	1.9
550.22290	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	550.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	11.2
55.05513	16.0
56.96565	7.2
57.03429	11.6
57.07097	3.5
60.44607	3.2
61.02921	6.6
61.71039	2.9
65.03948	4.0
67.05504	40.5
69.03439	30.0
69.07072	25.9
70.06577	6.8
71.04989	5.4
71.49300	4.7
71.49685	4.1
73.02924	36.6
79.05502	20.9
81.03423	7.9
81.07057	66.9
83.04967	9.8
83.08614	8.7
84.04514	4.8
84.08151	3.6
85.02912	49.9
86.09729	5.8
87.04452	4.2
89.03999	2.9
91.03971	5.8
91.05473	33.3
93.07043	80.4
95.04946	10.3
95.08605	70.9
97.02903	40.0
97.06522	24.2
98.06879	3.2
103.03967	4.2
105.07040	56.0
107.04982	7.5
107.08590	66.7
109.02909	6.4
109.06530	7.1
109.10162	100.0
111.04414	4.5
111.08076	12.2
115.03941	14.9
117.07002	5.6
119.08595	62.4
121.06520	4.3
121.10139	36.2
123.04483	4.0
123.11730	19.0
125.09620	6.0
127.03911	20.9
129.07024	3.5
133.04956	15.7
133.10144	36.4
135.04408	3.5
135.11693	44.1
137.05997	11.9
137.09590	3.9
143.08589	3.9
145.04968	16.2
145.10156	8.8
147.11690	62.1
149.13222	7.0
151.03928	4.6
153.12752	3.9
159.08202	2.9
161.06012	3.8
161.13268	17.3
163.03978	3.4
163.06012	5.2
163.14822	4.1
165.05505	3.5
165.12753	5.0
167.07056	11.8
173.13249	3.4
175.14816	11.5
177.16504	3.6
181.05051	3.3
191.00203	3.6
193.15892	8.9
203.16084	4.8
203.17955	98.4
215.06969	4.2
221.15323	3.6
221.18950	26.5
227.06905	3.5
239.16394	34.2
241.07124	5.8
259.08041	3.4
295.10153	4.9
317.21075	4.8
335.22131	5.7
341.13412	4.5
388.13184	4.7
479.16318	3.5
508.11795	6.2
550.23407	14.4
551.24066	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	551.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.01862	4.3
57.03461	2.4
59.05001	7.1
61.02930	3.8
64.19296	1.8
67.05505	3.7
69.03441	11.1
69.50772	14.9
70.06585	5.7
71.01358	2.1
71.04991	2.3
79.05502	19.8
81.03419	12.3
81.07063	3.5
83.04970	3.0
84.08143	3.2
85.02900	20.6
86.09722	3.2
91.05489	9.5
93.07063	9.5
95.04966	27.3
97.02903	8.4
97.06549	2.4
99.04494	2.5
103.03953	2.3
103.05444	10.6
105.03393	2.8
105.07031	14.5
107.04963	100.0
107.51717	1.8
108.92536	1.7
109.02886	65.7
109.06517	5.4
115.05463	3.8
118.99226	2.0
121.06502	12.5
123.04443	6.9
125.02375	6.5
127.03886	10.6
131.04938	8.5
133.02855	3.2
133.06508	12.6
135.04416	21.6
135.08110	2.0
136.07605	4.5
137.05980	4.7
139.03909	26.7
139.07542	3.9
145.05019	4.2
147.04431	3.8
149.05995	22.9
151.03915	20.7
153.05463	4.2
159.04390	2.9
161.05969	19.3
163.07535	2.6
165.05490	71.3
166.05812	2.0
167.07040	16.6
177.05481	58.3
181.04961	3.4
191.07030	13.7
193.08620	7.7
195.06528	21.3
209.08109	50.3
217.09752	2.4
227.09175	13.6
239.08298	1.9
241.09630	2.7
283.10754	3.2
287.13876	2.2
303.05008	6.6
313.11887	4.3
314.12439	2.9
315.13251	4.1
319.16663	9.9
339.10687	6.2
342.11990	2.4
357.10925	2.7
374.14478	2.6
389.13437	8.3
473.15152	2.5
491.16577	4.4
519.16089	17.4
551.18365	9.6
551.26324	6.8
567.25592	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.2
55.01818	3.0
57.03384	1.0
59.04946	2.9
61.02866	1.0
61.88811	0.6
67.05448	1.4
69.03429	5.6
69.27962	6.6
70.06527	1.9
71.01300	0.9
71.04958	1.7
73.02886	1.0
79.05490	5.8
81.03406	4.6
81.06991	0.9
85.02911	10.3
86.09623	2.3
87.00777	0.7
87.04416	1.0
91.03922	0.9
91.05415	2.9
93.06955	2.2
95.04968	6.9
97.02893	4.2
97.03919	0.7
99.04415	1.3
103.03905	0.9
103.05405	2.4
105.06973	1.6
107.04957	36.3
109.02876	25.2
109.06470	2.8
111.04378	1.8
121.06521	5.5
121.07355	0.9
122.08350	1.5
123.04454	3.3
123.08008	1.8
124.05005	0.6
125.02299	2.1
125.06017	0.8
127.03888	5.8
129.06938	1.4
131.04909	3.2
133.02808	0.9
133.06406	0.9
133.10080	0.8
135.04407	6.7
135.09119	2.1
136.09865	1.1
137.05992	4.2
139.03897	10.0
139.07489	1.1
145.04903	2.1
147.04355	0.8
149.04994	0.8
149.05991	9.2
151.03900	7.3
151.07477	2.4
151.08603	10.7
152.07803	0.9
153.05382	2.7
159.04375	1.6
161.05910	1.5
163.07462	0.9
163.11058	0.7
163.12242	2.7
164.09428	2.4
165.05467	25.6
167.07036	7.1
173.04298	1.0
175.07484	0.9
175.12212	3.2
175.64659	0.6
177.05472	21.4
181.04930	3.0
191.06927	1.7
191.11783	3.4
192.12575	50.3
195.06551	6.8
201.05238	0.9
209.08095	25.4
217.09624	1.3
227.09134	5.5
231.14922	1.3
232.15720	0.8
259.14465	12.3
269.12418	3.5
287.13901	22.7
291.17038	1.0
303.04932	9.6
309.43817	0.7
319.16522	100.0
325.16153	5.9
329.18735	0.8
339.10812	2.2
357.11572	1.9
357.18088	2.3
359.14737	2.0
361.21146	1.3
371.14444	2.6
388.23425	0.9
389.20270	8.3
408.80060	0.7
487.95319	0.8
510.86215	0.7
513.37982	0.7
528.15131	0.7
545.84338	0.9
551.26129	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	551.2119
Annotation	Scorzonoside
Peak:m/z	Relative Intensity
53.03938	1.3
55.01867	4.4
55.05503	0.7
56.96555	0.6
57.03421	1.4
61.02917	0.9
65.03940	1.1
67.05490	1.5
69.03428	5.3
69.07049	1.1
70.06581	2.0
71.49464	0.7
71.64957	0.5
72.08152	0.9
73.02920	1.4
78.04708	0.8
79.05479	3.4
81.03425	2.9
81.07053	1.6
84.08144	1.7
85.02904	7.9
86.09693	2.0
87.04455	1.3
89.03884	1.3
91.05486	4.1
93.07024	1.6
94.04200	0.8
95.04971	3.3
95.08620	1.1
97.02883	3.7
97.06526	2.1
99.04441	1.3
103.05448	6.0
105.07014	2.4
106.04148	0.9
106.07316	0.6
107.04949	6.5
107.08587	1.5
109.02857	1.9
109.06489	0.7
109.10154	0.9
110.03639	0.6
111.04473	0.6
115.03900	0.8
115.05457	0.8
116.06234	0.9
117.07005	1.5
119.04919	0.7
119.08566	1.1
120.08075	1.2
121.06509	3.9
121.10162	0.9
122.03623	1.9
123.04400	4.1
124.05211	1.0
125.06015	0.9
127.03947	1.3
128.06192	3.7
129.07008	10.7
129.10185	0.6
131.04922	8.0
131.08557	2.5
133.06514	1.2
133.10141	0.8
134.03584	0.7
135.04364	0.9
137.05969	29.8
138.06319	1.4
140.04657	1.0
141.06924	1.0
144.05702	0.7
145.06474	2.1
147.04417	1.3
147.11690	0.8
149.05972	9.5
151.03868	2.5
151.07516	4.7
152.04630	0.6
153.05432	0.9
155.07001	1.1
155.08344	0.6
157.06483	10.3
158.07237	1.1
159.04440	2.1
159.08032	1.6
160.05206	1.1
161.05977	4.2
162.06741	1.1
163.03899	1.8
163.07539	6.3
165.05501	4.1
167.07028	50.9
171.06561	0.9
173.05919	0.8
174.06721	4.3
175.07533	3.5
177.05470	19.7
177.08960	0.7
179.06996	0.8
181.04941	14.1
181.08575	0.8
183.06505	0.9
185.05859	2.6
187.07539	2.1
189.09082	11.6
191.06996	1.5
191.10628	1.3
193.08566	1.2
195.06494	1.1
201.05396	1.0
201.09035	1.3
203.08611	0.7
205.08617	1.0
209.08080	5.6
217.08575	9.1
218.07268	1.6
219.08253	1.1
219.10188	2.0
221.07906	0.8
223.07471	0.7
231.08098	1.0
233.09636	1.8
235.07497	1.3
235.09688	0.8
236.08168	0.7
247.07555	1.0
260.08109	0.7
261.09128	4.0
261.23456	0.6
262.09799	1.0
263.06967	0.9
265.08490	0.8
277.08615	2.1
278.09439	1.6
279.09991	1.1
289.08585	1.2
291.10135	1.4
292.07190	0.6
293.08420	0.8
293.11755	3.3
295.09454	1.0
303.10306	0.8
307.09579	1.6
309.11392	0.7
321.11102	4.8
322.11801	1.3
325.10767	0.7
327.12341	1.3
335.12897	0.7
339.12292	3.3
341.13895	1.3
353.13672	1.7
359.14740	2.9
369.13419	0.6
371.14871	100.0
372.15079	2.3
389.15887	1.6
428.29980	0.6
447.16290	5.8
533.21381	0.6
551.20392	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	551.2825
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
51.52953	0.2
51.72301	0.2
55.05511	0.4
56.96560	0.3
57.03424	0.3
59.24722	0.2
59.25244	0.2
61.02921	0.4
67.05530	0.4
69.07070	0.4
71.34682	0.4
74.66106	0.2
79.05488	0.6
81.03419	0.4
81.07040	0.8
85.02930	0.4
90.15594	0.2
91.05476	0.4
93.07050	0.5
95.04963	0.5
95.08624	0.5
97.06523	0.9
105.07047	0.5
107.04957	0.2
107.08598	0.3
107.10728	0.2
109.02885	0.2
109.10148	0.8
111.18144	0.2
129.98155	0.2
131.08580	0.2
143.90509	0.2
163.11107	0.3
170.48027	0.2
251.12593	0.6
267.09207	0.5
267.11856	0.4
285.10101	0.8
306.96686	0.3
307.15149	0.4
323.14508	0.3
331.10031	0.4
333.19077	0.5
375.20178	0.3
389.22952	1.8
398.04553	0.3
533.27692	0.6
551.28259	100.0
552.28613	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	551.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58930	0.4
55.05497	0.8
56.96556	1.0
57.03437	0.5
67.05496	1.9
69.03429	0.9
69.07074	0.8
70.46600	1.2
70.46949	0.7
70.57440	0.4
71.05004	0.5
74.56578	0.4
74.70438	0.3
79.01520	0.4
79.05502	1.0
80.01600	0.3
81.03406	0.9
81.07046	1.1
81.71251	0.4
83.05009	0.5
83.08629	0.6
85.02919	1.0
86.09710	0.4
90.21500	0.4
91.05457	0.7
93.07054	1.4
95.04966	1.5
95.08622	0.7
97.02904	0.5
97.06535	1.6
105.07054	0.9
107.04963	1.2
107.08580	0.7
109.10145	0.7
119.08601	0.8
121.10124	0.4
129.07022	0.6
131.08560	0.9
133.06516	0.5
133.10162	0.5
143.08632	0.4
145.10121	0.8
163.03911	0.7
163.11186	0.7
167.07065	0.6
193.12238	0.4
203.05290	0.4
211.13057	0.4
212.25572	0.4
251.12512	0.6
267.12112	1.8
269.04889	0.4
269.13522	0.3
285.04318	0.4
287.05984	1.2
307.15222	0.8
313.03885	2.2
323.14853	1.2
325.16083	0.5
331.04956	2.9
333.19260	0.5
337.11188	0.4
349.05991	0.5
351.13440	0.5
389.23154	0.8
479.26221	0.6
533.27759	1.7
551.28284	100.0
552.28790	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	551.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.7
55.05515	11.9
55.08823	2.0
57.03432	7.0
57.07076	40.5
67.05508	27.2
69.03428	2.7
69.07061	11.8
69.21530	21.7
71.04970	5.9
71.08631	28.4
79.05494	16.8
81.03418	39.4
81.07055	32.9
83.04980	8.6
83.08612	21.0
84.70726	1.9
85.02901	18.9
85.06520	2.6
85.10178	15.3
91.05478	22.6
93.07052	11.0
95.04966	14.5
95.08604	32.5
97.06574	2.4
97.10188	11.8
99.04482	2.0
104.63332	2.2
105.07009	11.5
107.04952	3.8
107.08601	6.5
108.37427	1.9
109.06564	2.0
109.10155	14.8
111.04479	2.7
111.08103	7.1
113.82429	2.2
119.08571	11.3
121.10126	5.8
123.11725	3.6
129.07043	5.9
131.08569	6.8
133.10161	5.4
147.11700	8.5
149.09659	4.1
157.10161	6.3
165.12755	4.1
175.11205	9.3
193.12238	34.6
201.20044	1.9
211.13306	43.3
267.16138	6.3
267.27048	3.4
280.61502	2.1
341.30496	5.4
371.02390	2.0
541.18237	2.2
551.43115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01423	1.3
55.01884	2.0
55.73529	1.4
57.03441	22.6
59.05000	1.7
61.02932	7.2
65.03927	1.8
67.05511	1.2
69.03430	39.6
70.06593	5.4
70.81300	3.9
71.01355	4.8
71.04984	2.3
72.08161	2.9
73.02918	47.8
73.84029	1.2
79.05475	1.7
81.03418	5.6
81.07046	1.9
83.04984	2.6
84.04493	1.1
84.08145	3.2
85.02911	44.5
86.09708	2.8
87.04462	2.4
91.03937	3.8
91.05482	70.6
92.05809	1.4
95.04951	1.9
97.02893	100.0
98.06019	1.6
98.97575	1.7
99.04472	2.3
103.05401	1.2
104.04030	1.2
105.07006	2.4
107.04959	4.3
109.02874	4.1
109.78361	1.2
111.04472	1.3
115.03931	55.1
120.08135	1.6
121.06502	1.9
127.03925	12.1
129.07022	1.6
129.10255	2.6
133.04958	14.6
133.06488	2.4
136.07567	2.9
137.05997	1.7
139.03917	5.3
140.07178	1.3
145.04955	12.1
145.05974	1.4
145.06531	1.2
149.04498	2.7
149.05940	1.5
150.07660	1.4
151.03935	1.9
156.03659	3.3
157.04987	4.2
161.04427	1.7
163.03932	1.8
163.06026	6.2
165.05505	3.6
167.07051	1.6
171.08058	1.5
177.05464	3.3
193.04875	1.6
199.06088	2.1
205.08528	1.8
209.08199	2.1
211.06036	15.6
217.08662	2.8
223.06058	2.8
228.06497	2.7
229.07027	11.9
231.11365	1.2
235.09671	2.2
235.61186	1.3
237.03194	1.5
237.85745	1.4
241.06934	6.2
249.29845	1.2
253.10716	5.5
259.08087	9.3
265.09158	4.0
271.11771	2.2
278.09125	1.5
281.07928	2.2
288.10764	1.7
295.10233	21.0
305.10797	2.1
305.60767	4.2
306.11258	1.6
341.12180	2.0
362.60495	1.4
372.15024	2.6
430.37430	1.2
552.23804	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	552.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05506	1.8
57.07062	0.6
58.86856	0.2
60.23981	0.2
61.02906	0.3
65.03944	0.3
67.05241	0.2
67.05508	2.0
69.03425	1.0
69.06696	0.4
69.07066	5.7
70.06580	0.9
70.76135	0.6
71.04986	0.3
72.08139	0.3
73.02911	0.3
77.78783	0.2
79.00623	0.2
79.05475	0.8
81.03410	0.5
81.07052	2.4
83.08604	1.3
84.08133	0.5
85.02908	2.5
85.06522	0.4
91.05486	2.0
93.07044	1.9
95.04971	0.6
95.08607	5.2
97.02888	0.9
98.97599	0.3
103.05489	0.2
105.07026	6.2
107.04933	1.0
107.08591	2.5
108.05251	0.3
109.02862	0.6
109.06548	0.4
109.10156	5.4
117.07003	0.9
119.08581	29.9
120.08102	0.5
120.08926	0.5
121.06490	0.3
121.10150	2.3
123.08051	0.5
127.03883	0.5
131.08553	1.2
133.10129	27.2
135.11682	2.7
136.76926	0.2
137.09630	2.3
143.08545	0.5
145.04919	0.4
145.10117	1.6
146.10800	0.3
147.11694	3.9
149.13261	0.7
151.14810	0.9
159.11636	0.4
160.12456	0.8
165.05489	0.5
166.05737	0.3
166.08635	0.3
173.13264	2.7
174.13594	0.5
175.14819	100.0
176.15196	1.2
177.16428	0.4
178.05785	0.3
193.15881	15.5
209.15446	0.3
274.97330	0.3
305.05460	0.3
323.11597	0.3
341.56671	0.2
534.28900	0.5
552.25104	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	552.4024
Annotation	LysoPC(20:0)
Peak:m/z	Relative Intensity
50.92910	0.6
53.26715	0.5
55.05495	1.2
56.05029	0.9
57.07077	3.7
58.06590	1.6
60.08160	14.8
60.85369	0.6
69.07065	1.3
69.82464	2.8
70.06524	0.7
71.07056	0.6
71.07375	6.6
71.08627	2.4
81.07051	1.9
83.08630	1.0
85.10175	1.9
86.09703	46.6
91.05442	0.7
95.08578	1.2
97.10152	0.9
98.20781	0.6
98.98454	4.1
104.10738	100.0
105.34343	0.6
109.10115	0.9
113.09639	1.7
119.04097	0.6
124.99995	27.5
143.01059	0.8
170.15407	5.6
184.07333	99.1
184.16843	1.0
258.11060	2.3
313.04214	0.6
334.10529	0.5
369.33664	2.0
386.17349	0.7
476.90680	0.6
534.39185	6.9
552.40179	37.6
552.47504	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	553.2774
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
53.92741	2.2
62.66555	1.9
64.32146	1.8
67.05500	2.1
69.86344	2.0
71.49807	4.2
86.51931	2.0
92.42123	1.8
97.10151	2.3
105.10874	2.1
109.10178	3.0
128.36143	2.3
133.09300	2.0
134.35020	2.4
150.59071	1.9
177.62033	1.9
179.39162	1.8
180.73071	2.3
270.53452	2.0
553.27802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05509	0.3
56.96559	0.2
57.03423	0.2
58.60985	0.2
61.02939	0.2
67.05488	0.5
69.03416	0.8
69.07056	0.5
70.06590	0.4
71.49716	0.2
72.08142	0.3
79.05499	0.6
81.03381	0.4
81.07044	0.5
83.05006	0.2
83.89929	0.2
84.08129	0.3
85.02908	1.7
86.09692	0.3
91.05479	0.3
93.07024	0.3
95.04973	0.5
95.08612	0.4
97.02874	0.8
97.06535	1.0
105.07014	0.4
106.08652	0.4
107.04981	0.3
107.08595	0.3
109.02869	0.4
109.10143	0.4
118.12165	0.2
120.08083	0.3
121.10141	0.3
125.01530	0.3
127.03934	0.5
131.08623	0.2
138.99455	6.7
139.00531	0.3
140.99162	0.3
141.05501	0.2
145.04892	0.3
151.03908	20.2
151.04968	0.8
157.10063	0.2
163.03931	0.2
163.05365	0.2
168.05721	0.3
181.06462	1.0
191.07120	0.3
192.05687	2.9
195.08043	0.3
196.08784	1.1
199.03094	15.1
201.02788	0.7
209.05949	0.6
211.11195	0.3
220.05188	17.2
220.67619	0.2
224.08299	1.3
227.02583	10.2
229.02269	0.4
231.05774	0.2
244.02893	0.9
252.07808	0.3
254.03589	0.4
255.02075	19.6
257.01785	0.8
259.05270	2.1
259.09906	0.3
272.02356	1.1
286.06320	0.5
287.04684	100.0
288.05093	0.7
289.04425	2.8
296.04807	0.4
314.05679	0.7
330.09039	2.2
373.10138	0.3
374.09741	1.8
392.12589	7.7
400.44598	0.2
482.85529	0.3
554.25433	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	554.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	4.3
55.05513	33.2
57.03422	11.2
57.07073	21.7
64.67706	2.9
67.05492	12.5
69.07064	31.3
71.08622	11.0
71.50571	5.6
73.06496	3.1
79.05495	17.3
81.07047	16.9
83.04978	3.5
83.08617	32.9
85.10193	8.4
89.06028	31.8
91.05495	6.0
93.07053	28.1
95.04967	5.2
95.08612	26.6
97.02868	4.2
97.06545	5.9
97.10162	14.7
99.04424	4.3
105.07011	5.4
107.04954	4.3
107.08603	15.7
111.11729	7.8
116.14754	3.0
117.07023	6.7
118.99215	3.2
119.08587	9.1
121.10150	12.6
125.81787	2.8
133.08598	14.9
135.11702	36.5
145.10135	22.6
163.11185	41.7
177.11180	6.3
181.12251	5.7
184.27856	3.2
221.13753	4.3
227.12776	63.8
283.15421	32.7
311.25781	92.8
314.26859	2.9
327.20001	6.4
499.00409	3.6
519.36774	100.0
537.43927	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	555.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	0.3
69.03423	0.4
69.16805	0.3
70.06593	1.1
72.08157	0.4
75.53753	0.3
79.05515	0.4
81.07045	0.4
83.04937	0.3
83.11982	0.3
84.04494	0.3
84.08136	0.6
85.02915	1.2
86.06065	0.3
86.09711	0.3
91.05481	0.7
93.07061	0.3
95.04993	0.5
97.02901	0.4
97.06503	0.3
105.07030	0.8
107.04977	0.8
116.07078	0.6
118.92324	0.3
119.08583	0.7
121.10184	0.4
127.03918	0.6
129.07028	0.3
129.10304	0.4
130.95384	0.3
131.08542	1.3
136.07623	0.4
137.05963	0.3
143.08606	1.0
145.10153	0.6
151.04007	0.3
152.10724	0.7
158.10910	0.8
160.39308	0.2
165.05490	0.7
166.08604	0.3
166.46408	0.3
173.13268	1.9
193.10196	0.3
197.08154	0.3
203.05338	2.8
208.93039	0.3
210.08403	0.3
211.13722	0.3
219.01718	0.4
229.56871	0.3
229.58847	0.3
240.82761	0.3
252.12347	0.3
265.15259	0.3
291.13464	1.5
317.51089	0.3
345.41498	0.3
375.17871	2.2
393.19653	2.1
520.27277	0.3
522.18433	0.5
522.59186	0.3
555.24170	100.0
556.23914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2407
Annotation	Baenzigeroside B
Peak:m/z	Relative Intensity
52.71144	0.3
55.05498	0.9
56.05049	0.4
56.96558	0.4
57.03431	0.7
59.06123	3.0
61.02915	1.3
67.05510	0.9
69.03416	1.4
69.07074	0.5
69.17561	1.7
69.17983	1.9
70.06590	2.5
71.04984	0.4
72.08149	0.7
73.02909	0.9
77.19840	0.3
79.05484	1.1
81.03414	2.2
81.07044	1.2
83.08623	0.9
84.04519	0.6
84.08139	1.3
85.02899	2.4
85.07672	3.0
86.09698	1.4
91.03959	0.5
91.05469	1.3
93.07053	1.0
94.58226	0.3
95.04960	1.5
95.08614	0.6
97.02872	1.1
98.21560	0.8
100.11256	3.5
103.08706	5.9
105.07013	0.6
107.04929	1.0
107.08582	0.6
109.02907	0.5
109.10163	0.6
111.04453	0.6
115.03896	0.3
117.07024	0.6
119.08573	0.4
120.08098	0.6
121.02852	0.5
121.06505	0.4
121.10103	0.5
123.92523	0.4
127.03928	0.4
129.10269	0.4
131.04909	0.5
133.10147	0.7
135.08060	0.5
137.05942	0.7
137.09619	0.3
138.09172	0.4
145.05078	0.3
145.06413	0.8
145.10207	0.3
146.06033	0.4
147.11696	0.5
149.06000	0.4
161.06050	0.4
163.03867	0.5
173.05952	0.9
173.26031	0.3
182.15457	1.0
183.14891	0.4
187.07544	0.6
187.23158	0.3
202.55513	0.3
203.05344	0.4
209.16522	1.3
210.14882	1.1
219.10219	0.3
226.19070	0.5
241.00104	0.3
252.09441	1.3
252.59523	0.4
273.44131	0.3
283.13168	0.4
301.14261	1.8
305.08505	1.4
316.12585	0.3
333.12076	1.8
333.62253	0.7
336.22760	0.3
347.09570	0.5
363.08942	1.7
365.10532	5.1
375.18021	3.5
387.60947	0.4
393.18854	1.8
426.24857	0.5
429.23053	0.4
435.33392	1.2
453.34387	9.5
492.29553	1.1
495.28217	0.8
523.18146	0.5
537.23291	0.9
555.24054	100.0
556.24683	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	555.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94074	0.2
55.01866	0.3
59.38802	0.2
60.76558	0.2
66.80516	0.2
67.05497	0.5
69.57918	0.7
69.58334	0.8
70.06577	0.8
76.92921	0.2
81.07076	0.3
83.05048	0.3
84.08144	0.5
85.02908	0.5
86.09706	0.7
91.05486	0.2
93.07041	0.3
95.04955	0.6
95.08646	0.4
97.06549	0.3
100.00974	0.3
100.89407	0.2
107.04942	0.3
120.08036	0.2
129.04968	0.3
131.08600	0.2
137.09634	0.3
146.06018	0.3
165.05544	0.3
185.04306	0.4
201.03810	0.4
245.06384	0.3
249.15334	0.2
305.08316	1.2
312.90500	0.2
347.09653	0.4
363.08945	3.0
365.10553	7.0
393.18637	1.0
537.23615	0.4
555.24133	100.0
556.24744	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	555.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
56.63666	0.3
67.05489	0.6
69.74464	1.8
70.06569	0.4
79.05477	0.7
81.03392	0.4
81.07014	0.6
85.02901	0.8
85.65910	0.3
86.09676	0.3
87.04450	0.3
91.05469	0.6
93.07010	0.5
95.04951	0.4
95.08560	0.4
97.06506	0.9
98.97601	0.4
105.07005	0.3
107.04907	0.4
107.08565	0.5
109.06529	0.4
119.08552	0.4
120.08106	0.6
121.10126	0.4
121.39805	0.4
133.10086	0.4
137.06032	0.3
141.05232	0.4
150.73183	0.3
157.10110	0.3
171.02666	0.5
174.03966	0.4
201.03738	0.6
203.05260	0.6
221.11542	1.9
225.49089	0.3
260.85834	0.3
260.97473	0.3
275.07428	1.0
289.04349	0.5
289.08865	0.4
317.08536	1.3
333.07932	7.2
335.09485	1.5
357.19009	0.8
375.24930	1.3
377.11646	0.4
423.23486	2.4
555.27594	100.0
556.28064	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	555.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05518	3.4
57.03435	6.2
57.07077	27.8
60.80171	0.4
67.05505	8.9
67.88049	0.5
69.03426	0.6
69.07069	5.7
69.93097	2.2
69.98807	0.5
71.08253	1.0
71.08632	19.2
71.09023	1.1
79.05462	0.8
81.03423	7.0
81.07053	11.1
83.08624	8.0
85.02905	1.0
85.09675	0.7
85.10184	10.5
95.08606	14.7
97.10177	4.2
98.77698	0.5
98.98464	70.6
99.04463	1.4
99.11701	0.5
99.15018	0.6
109.02878	4.6
109.10151	7.0
111.11717	1.3
113.13248	0.6
116.99484	1.9
123.11720	3.3
125.13222	0.9
126.76498	0.5
127.03963	0.8
137.13223	1.3
145.05029	0.6
151.14912	0.6
155.01038	100.0
173.02101	1.4
196.03629	0.6
221.22668	1.3
239.23688	10.9
243.02696	1.7
269.92163	0.4
299.05307	1.2
313.27359	70.3
314.27832	1.3
317.06335	7.7
383.27914	2.2
393.24017	7.2
401.28900	4.8
422.49112	0.6
520.50861	0.5
537.28052	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	555.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	17.7
55.05500	47.1
57.07069	68.6
57.77673	19.0
67.05495	83.9
69.07085	23.0
71.08624	69.9
71.49892	18.6
74.73898	17.0
79.05478	18.7
81.03401	17.4
81.07063	57.1
83.08620	34.6
91.05470	43.9
93.07067	32.7
95.08600	60.3
95.30102	17.2
99.00761	23.9
105.07051	32.1
109.10151	27.2
119.08598	26.3
121.06483	23.6
133.10104	48.5
171.15558	17.5
179.10609	25.6
299.14935	85.7
313.27417	100.0
319.46225	18.5
537.37830	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	556.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67862	2.1
53.57932	1.9
55.05494	3.9
56.96560	3.1
57.03442	2.4
61.02932	2.1
67.05496	2.4
69.03422	7.4
70.06588	3.6
70.17616	2.2
71.01373	2.3
71.33549	2.8
78.60952	2.2
79.05465	4.3
81.03429	2.7
81.07069	27.6
83.04974	4.9
84.08116	3.1
85.02905	10.4
91.05492	3.1
95.05008	3.2
95.08618	8.0
97.02892	7.1
98.97607	2.5
105.07052	14.5
107.04951	2.7
107.08618	2.2
108.65507	2.3
109.02884	2.5
109.06516	51.2
123.08075	10.4
127.03940	3.7
133.06474	14.4
137.05974	19.1
139.03909	2.5
142.47795	2.5
151.07529	37.9
151.08675	2.8
153.05536	2.5
153.81026	2.6
161.06007	9.0
165.50531	2.4
179.07050	89.0
197.08113	47.2
215.09157	100.0
219.01686	2.8
233.10220	6.4
274.11050	3.5
301.10495	2.6
306.13379	7.1
341.12534	4.9
359.13400	4.0
468.18509	8.9
496.27539	2.6
556.12439	13.3
556.20654	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	556.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49678	5.7
55.05508	11.3
57.03429	9.6
57.07081	30.8
67.05502	18.9
69.07065	8.3
71.00337	10.0
71.08630	19.8
79.05487	13.1
81.07069	24.1
81.83057	4.2
83.08626	16.4
85.10183	10.2
89.06025	10.9
91.05482	5.7
93.07034	31.9
95.08599	41.2
97.06533	4.8
97.10133	6.3
99.99091	4.7
105.07059	6.3
107.04941	7.4
107.08601	23.8
109.10163	7.6
117.07016	11.0
119.08604	6.4
121.10171	7.4
133.08636	7.4
135.11670	37.0
141.45824	5.4
145.10121	27.3
163.11179	55.7
227.12794	68.0
235.17088	4.4
271.71826	4.8
283.15366	60.7
290.78564	5.5
313.27347	100.0
396.99167	5.0
406.28915	5.5
466.48087	4.7
521.38226	66.2
556.53058	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	557.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	10.0
58.60856	4.3
60.31150	4.2
62.86338	4.5
69.21539	11.6
69.21956	37.2
77.00928	5.8
85.02907	7.9
98.97585	13.1
101.00883	13.5
101.26711	4.1
116.98602	17.6
119.01924	63.5
128.98619	5.9
131.01907	30.3
134.99649	11.0
137.02968	22.3
143.01897	19.2
143.57156	4.8
145.03471	61.6
146.99646	8.0
149.02995	6.5
155.01891	20.0
157.03456	8.7
158.99660	6.9
159.05017	17.2
161.01224	5.1
161.01639	5.8
161.02980	51.4
163.04561	23.1
166.14247	4.6
167.01894	8.3
169.03458	33.1
170.99606	7.4
171.01428	4.8
171.05005	12.7
173.02966	54.8
175.04597	6.2
177.00749	16.0
185.02983	62.0
187.04539	76.9
189.00819	10.7
189.02431	10.9
189.06021	5.9
197.02962	15.9
199.04520	13.4
201.00742	12.4
201.89229	4.5
203.03954	23.5
211.04543	11.3
213.02565	10.6
213.06062	6.0
215.03983	19.9
219.01665	11.1
221.03191	8.1
221.05040	11.8
227.04140	13.9
229.05624	5.9
231.03499	26.7
237.02773	11.4
245.05086	100.0
261.02621	11.5
263.06097	19.5
271.06592	16.3
275.02475	40.4
275.05945	50.3
279.03787	9.8
287.02533	15.5
289.07712	7.6
293.03687	23.4
305.03534	16.6
305.07135	22.9
315.05447	9.5
315.68430	5.2
321.05029	8.7
335.04504	19.3
359.04611	20.3
377.05533	45.6
377.09534	5.6
395.06812	69.0
399.08005	6.2
437.07266	4.9
534.14923	4.7
539.10876	9.8
557.11743	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	557.2573
Annotation	Tyr Leu Phe Asp
Peak:m/z	Relative Intensity
55.05499	0.7
61.02920	0.7
61.44962	0.6
67.05489	1.1
69.03422	2.2
69.07069	1.8
70.06596	3.0
71.33123	1.4
72.08145	1.2
74.60788	0.6
79.05496	1.0
80.12672	0.6
81.03423	1.1
81.07031	1.0
84.04477	1.1
84.08142	2.2
85.02901	4.4
86.09705	1.5
87.04484	0.8
91.05503	0.9
93.07034	1.2
95.04965	0.7
95.08582	1.3
97.02884	2.3
98.97547	0.8
99.12099	0.6
101.07113	0.6
105.07036	3.3
107.04926	1.1
107.08552	0.9
109.02872	1.8
109.10151	0.9
119.08591	5.8
120.08110	0.7
123.05501	0.6
127.03926	1.8
129.10201	1.2
131.08446	0.8
133.10143	5.2
134.99780	0.8
137.09592	1.2
139.03938	0.7
145.04944	1.5
147.11694	2.2
152.12444	0.5
175.14813	8.2
178.06178	0.7
187.08548	0.6
203.05276	13.9
215.08211	0.7
294.10202	0.9
377.14575	0.8
377.19370	9.9
379.20773	1.5
425.18362	1.4
472.56204	0.6
557.26044	100.0
558.25574	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	557.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01858	5.1
55.05510	57.4
57.03432	20.1
57.07075	76.3
59.04985	4.5
65.03922	4.5
67.05502	100.0
69.03424	5.5
69.07070	32.0
71.04996	3.6
71.08627	56.5
71.11555	5.8
79.05492	20.2
81.03414	4.5
81.07051	61.5
83.04954	5.2
83.08615	38.7
85.02903	14.0
85.06519	3.9
85.10177	31.6
87.04440	5.2
89.06015	8.0
91.05465	18.6
93.07034	15.0
95.08606	52.8
97.02859	2.6
97.06535	3.7
97.10166	35.6
99.08073	3.1
103.03893	3.8
105.07014	7.1
107.08594	16.6
109.10154	74.7
111.11694	4.5
117.06935	4.7
117.30991	2.2
119.08558	8.9
121.10127	11.5
121.50909	2.4
123.08078	2.8
123.11676	10.3
125.09621	26.9
129.05492	2.7
131.08553	3.9
133.08562	4.1
133.10115	4.6
135.11679	4.8
137.13185	3.8
143.10640	5.7
145.10143	6.9
147.11671	5.3
149.09583	3.1
173.11725	12.6
191.10690	3.3
194.10265	2.5
199.13232	4.1
203.12651	2.9
209.11630	9.3
211.13335	2.8
219.17378	7.5
227.12758	4.1
229.14360	7.6
239.23764	12.9
245.39015	2.4
283.15329	4.8
301.16431	9.9
313.27344	49.4
341.26788	46.2
372.23071	2.7
467.37289	93.2
468.37967	2.9
539.39197	19.1
557.41333	16.8
557.52710	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	3.9
57.03439	4.5
61.02934	6.7
65.03961	3.8
67.05489	4.5
69.03430	36.3
70.06590	32.5
71.49253	5.2
72.08154	8.5
74.06042	3.9
75.69252	4.3
77.29694	3.9
79.05497	5.2
79.67565	4.3
81.03433	8.7
84.04539	4.9
84.08157	12.1
85.02896	23.3
86.09708	17.4
87.04472	8.7
91.05500	10.3
93.07059	4.3
95.04964	7.1
97.02884	11.3
99.81587	3.8
101.36860	3.7
102.16622	4.9
103.05456	8.7
105.07042	15.6
107.04965	24.4
110.63645	3.9
115.05467	5.8
116.98716	4.4
119.04931	10.1
121.06501	6.4
127.03896	7.5
129.06940	5.2
130.02898	25.2
130.03809	3.7
131.04964	9.4
133.02879	18.0
133.06534	9.8
135.08089	5.3
137.05978	78.4
139.03865	4.6
147.04401	15.5
147.05562	17.9
149.05954	19.7
151.07530	28.2
151.57443	4.1
152.03410	4.8
157.06557	5.0
161.05968	53.5
161.09627	11.3
162.06700	6.8
163.07555	32.8
165.05525	11.5
166.08681	5.0
175.07552	12.0
177.05391	6.4
177.08958	4.2
179.07050	22.2
181.08618	5.6
189.09094	38.2
191.07022	8.8
192.06570	16.5
195.08107	5.4
207.10159	63.1
213.20554	4.3
220.06058	10.1
240.58165	4.3
270.14902	5.5
280.07080	35.8
287.12881	7.0
291.12271	7.8
313.14352	7.6
322.11890	6.4
331.15320	25.3
366.10834	100.0
540.16162	8.3
558.18054	25.8
577.19635	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	558.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	3.9
57.03439	4.5
61.02934	6.7
65.03961	3.8
67.05489	4.5
69.03430	36.3
70.06590	32.5
71.49253	5.2
72.08154	8.5
74.06042	3.9
75.69252	4.3
77.29694	3.9
79.05497	5.2
79.67565	4.3
81.03433	8.7
84.04539	4.9
84.08157	12.1
85.02896	23.3
86.09708	17.4
87.04472	8.7
91.05500	10.3
93.07059	4.3
95.04964	7.1
97.02884	11.3
99.81587	3.8
101.36860	3.7
102.16622	4.9
103.05456	8.7
105.07042	15.6
107.04965	24.4
110.63645	3.9
115.05467	5.8
116.98716	4.4
119.04931	10.1
121.06501	6.4
127.03896	7.5
129.06940	5.2
130.02898	25.2
130.03809	3.7
131.04964	9.4
133.02879	18.0
133.06534	9.8
135.08089	5.3
137.05978	78.4
139.03865	4.6
147.04401	15.5
147.05562	17.9
149.05954	19.7
151.07530	28.2
151.57443	4.1
152.03410	4.8
157.06557	5.0
161.05968	53.5
161.09627	11.3
162.06700	6.8
163.07555	32.8
165.05525	11.5
166.08681	5.0
175.07552	12.0
177.05391	6.4
177.08958	4.2
179.07050	22.2
181.08618	5.6
189.09094	38.2
191.07022	8.8
192.06570	16.5
195.08107	5.4
207.10159	63.1
213.20554	4.3
220.06058	10.1
240.58165	4.3
270.14902	5.5
280.07080	35.8
287.12881	7.0
291.12271	7.8
313.14352	7.6
322.11890	6.4
331.15320	25.3
366.10834	100.0
540.16162	8.3
558.18054	25.8
577.19635	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	558.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18421	0.3
56.05038	0.4
60.04528	0.8
62.16944	0.3
67.05502	0.3
69.03435	0.6
69.07072	5.3
70.06595	50.1
71.49014	0.5
72.08147	0.9
79.05504	0.5
81.07059	0.4
84.04496	0.6
84.08170	0.8
85.02918	0.7
86.09708	100.0
91.05468	0.5
95.04981	0.3
97.06475	0.4
102.05563	0.6
105.07043	0.3
112.03972	2.7
120.08152	0.3
129.10242	0.4
137.05984	0.6
147.05565	0.7
154.81813	0.3
165.55128	0.3
185.16394	0.4
197.12936	0.5
199.18022	0.8
203.10274	45.7
204.10497	0.5
215.13927	0.7
216.98421	0.3
225.12343	11.3
238.28236	0.4
243.13408	16.2
282.00754	0.3
316.18680	0.7
328.18680	0.6
328.22214	4.6
356.21796	5.3
397.13452	0.6
412.07016	0.4
486.94760	0.3
494.15659	0.4
558.19159	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	558.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22687	0.3
50.60460	0.3
55.01871	0.3
56.05025	0.5
58.06607	0.3
60.04516	0.4
67.05502	0.5
69.03429	0.4
69.07071	5.0
70.06591	49.6
70.78723	0.3
71.49744	0.4
72.08170	0.9
81.03421	0.5
84.04499	0.6
84.08134	0.8
85.02921	0.8
86.09708	100.0
87.10031	0.5
91.05470	0.4
93.07029	0.3
95.05044	0.4
97.02905	0.3
97.06544	0.6
102.05545	0.7
107.04941	0.3
112.03963	3.0
116.07077	0.4
120.08068	0.6
129.10226	0.3
130.05022	0.3
133.10152	0.4
137.05963	0.4
185.09264	0.6
197.12856	0.5
199.18118	0.3
203.10274	42.1
204.10727	0.3
215.13971	0.4
225.12334	11.5
243.13405	15.3
293.29227	0.3
316.18735	0.7
328.22293	3.9
356.21790	4.8
435.86615	0.4
447.58441	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	559.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
53.03929	1.0
55.01857	0.9
55.05499	0.8
57.03426	0.8
59.86958	0.2
61.02907	0.8
65.03926	0.3
67.05486	0.8
68.58511	0.3
69.03424	2.8
69.07049	0.3
69.38670	2.2
70.06583	0.8
71.04975	0.4
73.02920	0.4
77.03924	0.5
79.05492	2.2
81.03419	2.7
81.07050	0.6
83.04970	1.8
84.04488	0.2
84.08129	0.4
85.02908	3.8
86.09702	0.6
87.04449	0.3
91.05479	2.9
93.07048	0.8
95.04961	7.1
97.02876	2.3
103.05463	0.5
104.04962	0.8
105.03369	0.7
105.04483	0.3
105.07020	0.9
107.04951	4.1
109.02873	0.9
109.06493	0.8
115.05441	1.3
117.07028	1.9
119.04938	6.1
119.08576	0.7
120.04467	1.8
121.02853	0.9
121.06503	0.8
123.04424	1.5
125.02341	3.8
125.15274	0.3
127.03901	0.8
128.06210	1.0
129.04480	20.9
129.07024	0.8
129.52911	0.2
130.02876	4.4
131.04918	1.6
131.06007	1.0
131.08557	1.5
131.21404	0.2
132.04431	4.3
133.06438	1.2
133.10121	0.3
135.04404	2.6
135.08037	0.9
136.05133	0.3
137.05951	0.3
141.06985	2.2
143.06039	0.4
143.08592	0.5
144.05653	0.5
145.06487	2.5
147.05522	68.0
148.05911	0.3
149.05960	0.5
149.09576	0.4
151.03897	7.8
153.05505	1.4
159.05528	28.9
159.08066	1.7
160.06322	3.9
161.05965	0.4
161.07158	0.4
161.09637	0.3
163.03926	1.7
163.07561	1.3
164.04623	0.3
169.05177	0.4
169.06386	1.3
171.08014	0.4
173.05960	1.3
177.06592	22.9
185.07013	0.3
187.05022	19.5
187.07422	1.8
191.07056	0.5
192.05286	1.9
197.06001	1.0
201.06734	0.3
202.07349	1.0
203.08179	2.7
205.08444	0.3
205.91476	0.3
215.08287	9.2
229.09695	14.8
233.08038	0.6
239.08182	1.9
255.11186	0.3
265.09775	1.9
265.18030	0.3
281.09265	0.9
283.10831	0.9
291.11288	0.7
309.08701	8.3
309.12027	0.4
327.09753	14.6
333.12222	0.6
343.10693	0.4
353.14957	0.5
361.11765	1.6
379.12848	12.8
397.13922	100.0
398.14359	1.4
526.84167	0.3
544.37836	0.3
559.19562	6.2
559.27563	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	560.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01865	0.5
55.05511	5.2
57.03431	0.6
57.07074	19.1
61.02923	0.3
65.03931	0.7
67.05488	0.9
69.03430	2.0
69.07047	0.8
70.06612	0.4
70.17756	1.0
70.18167	0.9
73.02921	0.6
73.06550	1.2
79.05497	0.9
81.03429	2.1
81.07029	0.6
82.36411	0.4
85.02901	3.7
87.00829	1.2
91.05460	1.0
93.03406	0.5
93.07028	0.5
95.08595	0.8
95.81760	0.4
97.02895	2.0
97.06527	1.1
99.04427	0.6
105.01872	0.8
105.07089	0.5
107.08584	0.3
109.02869	0.9
109.10180	0.4
119.08598	0.7
121.02859	2.0
121.44205	0.4
127.03918	2.2
129.07033	0.4
130.95766	0.4
131.08530	0.8
133.10097	0.5
143.04996	0.5
145.05002	0.7
147.08055	0.8
149.02339	100.0
150.02689	0.9
159.02870	0.9
161.05968	1.4
167.03436	2.2
175.07561	4.4
190.05042	0.7
203.07060	6.4
205.08611	9.0
221.08128	1.6
227.12587	0.4
229.14180	0.5
277.14349	34.4
278.14539	0.7
289.17975	0.8
295.15411	2.6
363.21667	1.4
412.87778	0.4
443.51160	0.4
547.48022	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	560.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.7
55.50290	0.4
56.61392	0.4
57.07064	1.7
61.68499	0.3
64.19382	0.4
65.03934	0.6
67.05502	0.7
69.03410	1.3
69.86780	2.0
73.02907	0.4
74.64445	0.4
79.05490	0.4
81.03407	1.2
81.07056	0.6
85.02915	2.0
86.12769	0.5
87.00805	0.7
97.02884	0.5
97.06528	0.8
98.20798	0.7
99.04430	0.5
105.01851	0.9
109.02881	1.1
121.02876	1.7
127.03951	0.8
133.10051	0.5
149.02339	100.0
150.02670	0.7
157.15340	0.4
167.03444	2.1
187.26982	0.4
190.04958	0.5
198.51549	0.4
205.08600	22.6
221.08098	1.3
277.14359	9.0
277.17371	0.6
284.35202	0.4
285.10077	0.8
295.15530	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	560.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
54.65127	0.4
55.05510	3.4
57.07063	2.1
65.03944	0.7
67.05487	1.0
69.03429	1.2
69.07060	0.4
70.06606	0.5
71.01809	1.0
71.04983	0.5
73.02902	0.5
79.05486	1.0
81.03408	1.5
81.07028	1.1
85.02901	2.9
85.03316	0.5
87.00829	1.0
91.05470	0.5
93.07071	0.5
97.02893	1.4
97.06505	0.8
105.01865	1.1
105.46960	0.4
109.02839	0.9
121.02858	2.0
121.10066	0.5
127.03909	1.7
133.10197	0.6
135.11697	0.5
137.09593	0.4
149.02336	100.0
150.02806	0.5
167.03407	2.0
170.07098	0.5
188.24115	0.5
190.05141	0.6
205.08600	20.8
221.08020	1.5
277.14319	9.7
285.09979	0.7
295.15329	0.7
300.98074	0.5
428.92892	0.5
471.42773	0.6
560.26141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16345	3.5
53.03944	4.8
55.01870	10.3
55.05515	24.7
55.61481	3.1
57.03440	18.6
59.04997	4.9
67.05514	28.9
69.03445	5.6
69.07072	9.0
70.39378	10.6
70.39724	5.4
71.05007	5.5
77.76820	3.5
79.05489	37.1
81.03419	74.6
81.07072	29.9
82.10735	3.6
83.01338	4.9
83.04983	14.1
83.08630	19.7
85.02913	12.8
91.05478	29.5
93.07047	29.9
93.38004	3.9
95.04958	28.9
95.08614	21.2
97.02866	5.6
97.06544	8.8
97.10195	9.7
105.07027	21.5
107.04951	12.1
107.08575	18.0
109.06547	10.1
109.10148	10.6
111.08071	9.9
115.05445	4.7
117.07007	8.9
119.08589	20.9
121.06528	6.8
121.10152	9.6
123.08072	11.5
125.09631	5.3
129.07019	10.3
131.08577	13.4
133.06551	5.2
133.10126	10.8
135.08058	4.8
135.11684	9.7
136.06192	4.1
136.20340	4.1
138.66827	3.7
145.10075	20.2
147.08089	4.1
147.11694	11.0
149.09621	11.1
157.10094	6.3
159.08136	4.7
159.11703	5.1
163.11168	19.5
169.10139	5.8
173.09605	7.6
175.11214	9.3
193.12268	16.0
205.41795	4.4
211.13255	6.7
223.61502	3.7
227.12814	5.2
267.15891	60.2
275.20181	4.8
276.20334	6.3
283.15375	51.1
317.15652	4.4
343.06464	4.3
349.17117	4.3
365.21268	5.2
383.22208	31.5
401.23303	12.1
439.25125	5.2
441.70227	3.8
457.25928	27.8
475.20218	7.3
475.26874	100.0
493.28070	9.3
542.35535	6.4
560.36322	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	561.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90652	3.6
70.06599	1.1
72.08156	2.1
78.75544	0.8
79.83715	0.9
84.08149	1.1
85.02901	3.2
86.09680	1.1
92.07860	0.8
99.83595	0.8
137.05928	0.9
163.12444	0.8
174.99222	1.0
182.80659	0.8
185.04219	4.3
193.08394	2.2
201.05339	1.1
203.05270	3.8
206.11816	1.5
218.63298	0.8
219.06305	11.5
237.02815	1.5
237.07321	6.3
237.09351	1.0
364.95193	0.9
381.11337	2.5
399.12616	100.0
400.12778	1.3
561.17853	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48954	1.0
53.03952	1.3
55.01867	2.0
55.05506	6.7
56.96556	1.8
57.03431	3.4
60.04530	1.0
61.02916	4.2
65.03931	2.0
67.05491	5.4
68.98061	1.2
69.03429	9.8
69.07061	4.8
70.06592	15.5
71.04987	3.8
71.06913	1.2
71.49818	1.4
72.08156	8.3
73.02898	2.5
79.05489	9.4
81.03426	1.8
81.07060	8.4
83.04977	2.8
84.04527	1.3
84.08141	4.8
85.02907	10.0
86.09713	9.0
89.07155	4.5
91.03959	2.5
91.05482	6.0
93.07046	5.1
93.92140	1.1
95.04971	4.7
95.08600	4.0
97.02893	5.1
97.06545	9.7
98.97591	1.2
105.07053	8.6
107.04950	4.4
107.08585	18.5
109.02857	2.0
109.06510	4.4
109.10153	6.3
116.98590	1.8
117.07005	1.9
119.04963	1.4
119.08603	2.9
120.08081	1.5
121.06523	2.1
121.10148	9.0
122.07312	5.0
123.04454	1.3
123.08074	1.9
127.03908	3.5
129.07016	2.3
129.10228	2.5
131.04939	1.7
131.08585	2.1
133.10126	100.0
134.10463	1.5
135.08054	8.7
135.11673	2.7
137.02347	1.5
137.05959	2.1
137.09616	49.7
139.03914	1.7
141.45010	1.1
145.04919	1.2
145.10106	2.7
147.04378	3.2
147.05533	2.9
147.11694	2.6
149.02350	5.9
149.09650	2.5
149.13263	7.4
153.01833	9.1
153.06830	1.2
156.13831	3.3
158.10913	1.5
158.99709	1.4
159.08015	2.2
161.05963	2.3
161.09647	1.1
163.03929	1.6
163.14880	1.9
165.01801	1.7
165.05502	2.5
167.07007	2.6
173.09694	1.4
173.13249	6.5
175.07449	1.8
177.00729	1.5
178.50801	1.3
181.06505	1.6
191.14304	67.9
197.13007	2.0
199.07593	2.4
201.03691	2.0
203.06981	2.1
209.15331	4.4
213.09128	1.8
215.07117	1.4
215.08972	1.2
219.17395	3.1
227.07117	2.3
229.05078	1.7
245.04486	1.9
255.06476	2.2
283.06073	1.8
293.13843	2.6
299.05505	2.5
301.03448	5.0
303.05063	1.4
313.03412	8.0
327.05048	2.0
335.09140	1.6
337.14462	1.5
339.04916	2.3
339.15518	1.4
351.12433	1.2
355.08142	10.3
369.13153	2.7
381.09680	32.3
382.09952	3.4
399.10693	51.3
400.10944	5.1
561.14410	1.3
561.22986	11.2
561.46362	4.7
577.82892	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	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.9
55.01872	10.0
55.05510	55.7
57.03433	5.2
65.03929	4.9
67.05508	100.0
68.24487	4.9
69.03426	5.3
69.07065	28.9
71.04990	11.6
71.50546	7.5
79.05493	56.7
81.03418	18.8
81.07062	83.2
83.04984	14.0
83.08607	26.3
91.05489	57.4
93.07041	64.7
95.04984	15.4
95.08602	56.7
97.06534	13.1
97.10159	37.8
105.07024	54.1
107.04913	10.1
107.08593	45.8
109.10153	43.9
111.04459	6.6
111.08080	9.6
117.07016	20.0
119.08595	39.0
121.10155	34.3
123.08081	6.7
123.11688	11.6
125.09619	22.8
129.07045	10.7
131.08548	32.9
133.10141	36.3
135.08060	9.7
135.11676	27.0
137.09520	6.4
139.61792	5.4
141.26826	5.0
143.08545	16.4
145.10114	27.2
147.08080	5.9
147.11684	19.7
149.13297	7.4
152.07878	4.7
153.12703	7.6
155.08475	10.1
157.10100	14.2
159.11681	18.3
161.09721	5.2
161.13246	11.9
163.11205	21.5
169.10110	9.3
171.11681	15.3
173.13257	17.8
181.12294	7.7
183.11705	6.6
185.13281	12.1
187.14828	6.5
189.11179	14.3
191.10551	7.9
192.78882	5.1
193.12259	5.9
199.14870	8.2
209.11714	7.6
227.12761	28.5
259.20639	6.9
261.22046	11.9
267.16000	5.7
275.71585	4.9
277.21689	9.7
283.15353	11.2
297.22150	6.1
299.23669	20.1
317.24704	8.0
335.25745	11.6
432.72122	6.0
433.30695	8.0
451.31927	15.3
452.49298	5.3
469.32928	13.7
480.71698	5.1
487.34061	10.2
515.36841	9.6
525.36035	30.0
543.36853	92.3
561.38336	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01859	14.6
55.05505	44.8
56.96552	5.9
57.03429	25.1
57.07045	4.2
61.02921	5.6
67.05503	100.0
69.03419	13.1
69.07063	28.3
71.01370	6.0
71.04966	9.7
73.02895	7.5
79.05492	57.4
81.03420	69.1
81.07055	78.0
83.04975	28.6
83.08627	29.9
85.02904	20.5
91.05478	59.4
91.62345	4.2
93.07046	60.3
95.04961	33.6
95.08612	31.0
97.02879	12.5
97.06514	18.4
97.10165	20.3
101.53815	5.1
105.07036	48.4
107.04926	17.5
107.08599	46.8
109.02866	7.2
109.06500	8.8
109.10162	63.3
111.04405	8.8
111.08078	12.2
117.07008	9.9
119.08615	25.2
121.06481	14.2
121.10155	28.9
123.08058	10.6
123.11663	9.3
125.09617	21.4
129.06993	8.4
131.08557	21.2
131.37383	4.5
133.06511	7.6
133.10123	55.8
135.08073	11.5
135.11676	16.2
137.09570	6.2
145.10130	16.5
147.08055	6.8
147.11674	12.3
149.09653	10.6
151.11188	21.5
157.10130	10.2
161.09682	7.8
163.11174	17.8
173.09590	7.9
173.11700	12.7
175.11186	9.5
179.10620	5.5
191.10597	7.9
193.12247	28.7
209.11734	13.2
211.13269	11.8
227.12883	6.3
229.14241	21.5
241.14349	5.1
253.14317	57.8
267.15897	24.1
271.15359	12.2
273.18472	10.4
283.15417	17.5
285.16812	15.5
291.19507	14.9
301.16458	7.5
308.74908	5.6
343.08136	13.2
347.25443	7.0
357.09842	5.9
365.23267	56.9
367.22623	6.1
385.23636	4.9
386.65225	4.6
431.70700	5.1
459.27359	17.3
477.28458	29.8
510.51123	4.6
527.28705	9.8
566.12878	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	562.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.0
55.05514	23.3
57.03228	1.7
57.03442	16.3
57.82983	2.2
59.04977	2.5
59.61514	2.3
67.05505	34.6
69.03429	6.2
69.07071	9.0
69.23134	10.7
69.23557	11.1
70.02299	2.1
71.04992	5.0
79.05490	27.5
81.03421	94.0
81.07062	27.6
83.04981	15.3
83.08619	22.6
85.02921	16.9
85.06558	3.3
87.03226	2.2
87.04480	2.0
87.32511	2.1
91.05485	28.5
93.07043	22.6
95.04969	31.8
95.08611	11.9
97.02901	5.0
97.06525	10.5
97.10172	8.4
105.07033	22.2
107.04955	9.4
107.08594	11.9
109.06543	6.2
109.10138	14.1
110.10542	2.0
111.08092	8.3
113.05994	2.7
117.07025	5.4
119.08586	18.0
121.06493	6.0
121.10146	12.7
123.08106	6.0
125.09627	7.3
129.06995	12.6
130.72652	2.0
131.08600	10.4
133.06519	4.0
133.10164	13.6
135.11728	2.6
137.09627	4.6
145.06482	2.9
145.10132	4.7
147.08055	5.6
147.11711	13.6
149.09657	5.6
157.10135	13.9
157.91992	2.0
159.11658	2.3
163.11160	6.7
165.12801	2.3
173.13188	2.2
175.11162	13.4
176.29060	2.5
181.12314	2.2
191.10655	3.7
193.12257	36.7
197.13339	2.2
199.13353	3.5
209.11745	2.3
211.13268	18.7
227.12769	4.8
229.14311	7.8
267.15918	100.0
271.97208	2.1
273.14764	4.6
283.15381	9.6
285.16974	25.1
301.16498	3.4
349.21667	5.1
367.22662	11.2
381.80301	2.2
385.19254	2.5
385.23547	10.5
403.24985	3.3
433.25833	9.5
437.25464	2.3
441.26315	2.7
459.21271	3.8
459.27426	49.5
477.28476	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	563.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
56.96560	0.6
57.03418	0.7
65.03917	0.8
67.05505	1.3
69.03413	1.4
70.06592	2.8
70.34572	0.6
71.49487	0.6
71.49843	0.5
72.08143	1.2
79.05477	1.4
81.03393	0.5
83.04960	1.1
84.04510	0.6
84.08136	1.9
85.02895	2.2
86.09690	2.4
88.04516	0.4
89.03918	1.1
90.04719	0.8
91.05479	2.8
93.07067	0.7
95.04958	1.4
97.02892	1.0
97.06522	1.6
103.05470	5.4
104.06246	1.7
105.03383	0.9
105.06990	1.3
106.39898	0.5
107.04951	2.7
111.04499	0.7
115.05437	0.6
117.03365	1.1
118.04139	2.4
119.04964	1.2
120.08104	0.8
121.06499	1.6
121.86901	0.5
123.04424	0.8
129.06903	0.5
129.10257	0.9
130.04150	0.6
131.04930	21.3
132.05708	25.1
133.02864	1.4
133.06476	1.8
135.04436	1.5
135.08064	0.7
136.07605	0.6
137.05933	1.5
145.02850	1.2
145.06461	0.7
146.03593	0.7
147.04401	2.5
148.05167	2.2
149.05984	3.1
151.03891	0.7
151.07510	0.6
159.04443	2.5
160.05203	14.0
161.05956	2.2
162.06778	1.6
163.03889	2.0
163.07544	3.3
165.05513	3.0
166.96031	0.5
167.07051	5.9
173.05937	0.8
175.07558	0.5
176.04709	1.5
177.05475	15.0
179.07036	5.8
180.07813	7.5
182.09393	0.7
187.03946	4.3
191.05278	1.2
191.07027	26.6
192.07809	100.0
193.08574	0.6
197.01262	0.6
199.03903	1.9
207.06520	5.8
208.07320	1.4
209.08046	1.2
217.04974	1.1
219.08003	0.7
221.06001	0.7
252.12320	0.5
261.05423	0.5
279.06470	0.8
280.07318	0.7
283.09341	0.6
293.08084	1.1
295.09753	0.7
321.07596	1.7
325.10696	1.4
332.11575	0.6
341.10208	4.5
353.10196	23.5
371.11194	19.8
563.19916	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	563.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.7
54.23921	1.9
55.01882	2.8
55.05510	3.5
56.05040	2.8
57.03425	2.4
59.05003	13.2
61.02909	3.8
67.05501	10.2
69.03429	12.8
69.39434	7.2
69.39859	10.0
70.06605	12.1
70.39883	2.2
71.01354	4.5
71.04999	5.0
72.08159	8.3
72.86308	1.9
73.02907	2.5
74.06079	8.9
79.05496	22.4
81.03413	9.7
81.07028	3.5
83.04969	11.3
84.04506	4.6
84.08143	6.1
85.02910	20.7
86.09715	20.1
87.04493	2.9
87.05584	2.8
91.05490	7.2
93.03399	2.6
93.07036	10.8
95.01372	2.2
95.04964	35.4
95.23479	2.2
97.02900	12.6
98.21546	5.0
98.97549	3.9
99.04462	3.2
102.05563	2.5
103.03969	2.3
103.05476	15.1
105.04545	2.3
105.07024	4.5
107.04958	96.3
107.68649	1.8
109.02877	100.0
109.06512	11.8
111.04445	14.3
116.98660	3.0
121.06507	21.0
123.04424	9.4
125.02369	12.5
125.06028	2.8
127.03928	7.7
129.05490	7.5
129.10254	2.9
131.04945	7.0
132.05754	1.9
135.04425	56.5
136.07660	2.7
137.05978	5.7
139.03903	53.6
142.12256	2.0
145.04938	3.2
147.04419	3.2
147.06480	2.2
149.05980	40.8
151.03914	21.1
153.05463	9.1
157.04962	5.9
159.04478	6.2
165.05479	77.4
167.07031	24.6
175.06038	2.5
175.11156	3.9
177.05476	83.2
178.05750	2.5
179.07013	2.2
182.59418	1.9
185.09338	2.7
187.14403	2.9
191.07039	4.0
192.07803	2.2
193.05032	2.1
195.06570	28.2
203.05521	2.7
204.47290	2.0
209.06081	4.8
209.08083	73.3
233.11760	3.2
237.02747	4.1
265.78113	1.9
288.08383	3.1
289.39267	2.2
302.17267	2.9
351.10919	7.6
369.11798	20.6
505.12350	2.8
563.15979	3.4
563.44434	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	563.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01864	2.5
55.05508	3.6
56.05021	3.0
59.04997	10.7
63.50127	2.0
65.03927	2.3
67.05503	6.0
69.03441	13.9
69.19108	2.1
69.22562	23.1
70.06583	9.7
71.01345	8.2
72.08135	6.6
73.02934	2.6
74.06077	6.9
79.05496	19.5
81.03400	9.8
81.07053	4.1
81.66277	2.5
83.04973	8.1
84.04519	2.8
84.08134	6.4
85.02907	21.5
86.09722	15.3
87.04489	2.8
91.05483	6.5
93.07048	12.7
95.04976	42.8
97.02898	18.3
98.97619	2.8
103.03938	4.0
103.05453	11.3
105.07014	3.3
107.04230	3.5
107.04961	90.5
109.02879	100.0
109.06510	9.1
111.04436	15.4
121.06508	21.9
123.04423	8.6
125.02370	13.3
127.03893	6.5
129.05510	5.2
131.04926	7.7
133.02831	4.4
135.04416	56.3
137.05986	6.2
137.09587	2.6
139.03908	51.0
139.07506	2.6
142.48466	2.1
147.04410	2.5
149.05972	36.0
151.03900	27.4
151.07498	2.7
153.05434	7.6
157.04956	8.8
159.04405	4.5
161.06030	2.8
165.05478	79.4
167.07028	22.7
175.05965	2.5
177.05482	90.6
178.05960	2.7
181.13548	2.2
191.07103	3.1
195.06514	26.2
203.05489	5.7
209.08096	64.3
217.06995	4.1
227.08992	3.0
263.98193	2.3
271.79678	2.2
288.08545	7.2
331.10272	2.8
351.10782	8.1
365.15710	2.5
369.11856	22.4
373.37744	2.4
375.24573	2.3
401.11917	2.9
433.32843	2.3
449.14307	2.7
563.21545	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	564.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.3
55.01865	9.3
55.05502	11.1
57.03444	15.3
61.02935	22.3
65.03933	4.1
67.05506	22.2
69.03428	69.0
69.07057	9.3
71.04990	9.2
71.49933	3.7
73.02906	11.5
79.05502	19.0
81.03415	39.0
81.07057	13.4
82.59772	2.6
83.01347	3.6
83.04967	8.6
83.08601	4.5
85.02905	92.7
85.06561	2.9
87.04469	14.5
91.03947	6.1
91.05490	24.1
91.18005	2.6
92.05004	3.7
93.03402	7.8
93.07033	12.1
95.04981	14.6
95.08601	8.6
97.02888	48.7
97.06541	22.8
99.04440	9.1
99.80856	2.6
103.05476	11.3
105.07027	10.2
107.04991	15.5
107.08596	6.9
109.02882	17.5
109.10149	12.0
111.04449	6.5
115.05421	4.7
117.07046	3.2
119.04998	3.4
119.08575	8.7
121.02907	6.8
121.06518	4.9
121.10165	3.3
125.02363	3.8
125.09625	4.4
127.03902	26.0
131.04912	4.0
131.08551	5.1
133.06487	3.6
133.10083	3.7
135.04398	10.7
135.11664	2.9
139.03899	16.3
145.02898	3.2
145.04945	10.0
147.04370	3.0
147.11674	2.9
149.02284	6.6
149.05997	3.9
149.09547	2.9
153.05479	9.8
159.04408	6.2
161.06039	4.1
163.03874	4.3
163.11107	2.9
165.05539	14.0
167.03337	4.8
167.07182	9.3
168.08093	15.8
169.08783	2.6
170.05972	2.9
173.11725	4.5
176.03241	6.3
177.03955	4.0
177.05476	5.1
181.03458	2.5
181.04907	15.2
181.08771	2.6
184.07660	2.9
188.03131	15.4
190.04765	16.7
191.07100	13.5
193.12248	7.8
195.06512	3.1
196.07613	9.4
211.07471	3.1
211.13329	10.0
214.04781	4.0
216.06351	4.0
227.12857	2.9
228.06241	10.3
229.14342	3.5
232.05769	3.9
234.07433	4.0
240.06194	4.5
242.07881	8.9
246.07399	2.9
246.51306	3.2
252.06335	6.5
254.07883	65.0
256.05792	11.7
259.09518	4.4
264.06277	8.1
266.07858	8.2
267.08578	3.2
268.05804	6.4
269.06558	8.2
270.07297	10.7
272.08939	6.1
278.07834	10.2
280.05795	4.3
282.07343	65.1
284.05304	53.1
284.08475	3.0
285.16888	3.3
294.07306	21.1
296.08914	23.2
298.06705	5.4
300.05045	5.5
300.08401	27.6
306.07297	7.8
308.08868	3.0
311.12823	5.7
312.08542	3.1
316.08023	6.9
322.06802	13.3
324.08347	18.4
337.14417	6.8
340.08011	3.0
352.07880	30.7
354.09625	13.3
355.15445	19.8
356.10831	8.3
366.09543	5.4
370.09042	36.3
372.10474	7.3
384.10565	100.0
402.11597	77.3
427.95340	2.8
430.74380	2.9
540.99310	2.9
546.15936	14.8
564.16821	41.4
564.29114	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	564.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
55.05502	3.8
57.03425	2.8
67.05505	8.5
69.03427	2.5
69.07069	8.9
69.21358	9.0
71.01360	1.4
75.92972	0.8
79.05489	14.0
81.03404	2.4
81.07050	3.7
83.04988	6.3
83.08620	1.4
85.02900	1.5
91.05488	3.2
93.07040	2.5
95.04971	11.9
95.08604	1.6
97.06532	100.0
98.20752	1.9
104.45614	0.8
105.07018	1.9
107.04916	1.4
107.08562	1.3
108.91237	0.7
109.10126	1.2
111.04465	2.6
117.06979	0.8
119.08589	2.4
121.10098	1.0
123.04453	1.1
128.06184	1.0
129.05428	1.0
129.07036	2.2
131.08595	2.1
131.24753	0.9
133.02843	1.0
133.10098	1.0
135.11673	1.1
139.03914	1.4
141.07004	1.2
142.07814	1.1
143.08556	2.0
149.09674	0.9
155.08556	1.4
157.06409	1.7
157.10051	1.2
159.08081	1.6
161.02344	1.5
161.05977	4.0
162.03133	0.7
163.03909	8.7
167.08507	2.1
169.06493	1.4
171.08043	2.0
173.05981	3.1
173.09584	1.3
174.06784	1.8
175.03918	1.5
175.07536	3.4
177.05522	1.4
183.08018	1.6
185.06030	1.8
185.09630	3.2
186.06720	1.0
187.03838	1.0
187.07515	3.7
188.04663	0.9
189.05502	1.4
189.09088	5.9
191.07114	1.0
191.10631	0.8
193.10072	0.9
193.12224	1.4
195.06535	0.9
195.08121	4.8
197.06021	2.1
198.06689	1.0
199.07561	5.8
201.09128	3.0
203.07039	1.6
209.09755	2.0
211.07617	2.2
211.11246	1.4
213.05496	0.9
213.09050	6.0
214.06224	1.4
215.06990	4.1
215.10722	1.6
217.08594	1.7
219.10002	1.0
223.07396	1.1
225.05489	1.1
225.09137	1.5
227.10635	1.4
228.75969	0.8
229.08556	2.6
231.10188	3.5
237.09116	1.1
240.07904	1.0
241.08586	10.1
241.12219	4.3
255.10068	1.9
257.08179	1.5
257.11673	2.1
258.08829	2.2
259.09665	17.2
265.12210	1.6
267.13818	1.4
269.08047	1.5
269.11572	1.4
271.13525	0.9
273.11041	1.1
283.13156	1.9
285.14816	2.9
287.09198	1.1
293.11566	2.0
299.12906	4.3
299.15964	1.1
301.14383	0.9
303.08664	1.7
305.10175	0.9
309.14764	3.9
311.12827	15.9
311.16238	1.9
313.10825	1.6
313.14230	7.1
319.13107	1.0
327.15900	10.9
331.15314	1.8
337.14288	10.6
355.15408	61.5
356.15482	2.0
373.16449	24.7
493.28290	1.5
511.28854	0.9
529.20728	2.4
547.21692	1.4
565.23181	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	564.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.2
55.01869	14.4
55.05502	13.3
57.03435	21.8
61.02914	6.2
67.05505	24.8
69.03423	38.8
69.07070	18.7
70.75668	10.6
71.01313	4.4
71.04993	4.9
73.02921	44.1
79.05491	22.5
81.03388	8.9
81.07053	91.0
83.04971	7.0
85.02905	83.2
87.04477	4.6
91.05470	18.1
93.03396	6.8
93.07027	24.8
95.04981	15.2
95.08612	50.4
97.02882	46.5
97.06530	100.0
102.14439	4.0
105.07025	34.6
107.08584	28.0
109.02879	12.9
109.10145	18.3
113.05992	7.0
115.03922	20.1
119.08587	46.3
121.10131	17.4
123.11686	26.5
127.03875	23.7
129.06982	6.2
131.08589	4.8
133.04988	34.1
133.10138	26.9
135.11693	15.2
137.09581	4.7
143.08516	10.0
145.04961	31.1
145.10112	8.6
147.11702	16.1
153.09123	5.5
157.10167	6.4
159.11661	10.8
161.06001	5.6
161.13249	35.7
163.03979	6.1
163.05975	24.8
185.09586	6.8
189.09055	9.6
189.16393	41.8
193.04659	5.1
195.08035	6.2
197.09534	5.6
199.14781	5.6
201.09204	4.7
211.11244	4.9
212.08253	5.2
213.09088	13.9
217.15910	18.8
223.05824	6.9
227.06914	5.3
227.10622	7.8
229.08705	5.6
235.16978	33.0
241.06870	8.6
241.12215	10.2
251.10622	6.7
253.17958	7.5
257.11618	5.5
259.07990	14.6
259.10062	9.0
265.12134	6.2
269.11804	7.4
283.13272	5.0
293.11539	9.0
295.10233	14.8
299.12579	5.6
309.14847	4.8
311.12769	24.5
313.14282	11.7
313.17734	6.2
327.15842	10.1
331.15414	6.0
331.19064	6.2
337.14352	15.2
349.20010	6.4
355.15323	51.9
373.16428	71.9
476.21555	9.4
529.20349	8.4
541.13715	4.8
564.27319	24.2
565.22742	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	564.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75983	2.0
53.03935	4.9
55.01881	11.0
55.05283	2.0
55.05516	25.1
56.96562	2.3
57.03440	16.2
61.02930	2.1
65.03941	4.3
65.39301	1.9
67.05510	62.3
69.03445	10.3
69.07076	30.7
71.01331	2.9
71.04982	6.1
71.49970	2.4
73.02912	2.7
77.75993	1.7
79.05502	45.9
80.06261	2.3
81.03425	31.9
81.07059	32.2
83.04981	23.7
83.08612	15.1
85.02908	25.2
85.06535	3.7
87.04446	4.7
91.05486	33.1
93.07046	24.3
95.04974	32.4
95.08624	14.9
97.02872	5.9
97.06536	100.0
97.10144	12.0
99.08097	3.0
103.05518	1.8
105.07042	20.3
107.04958	9.0
107.08589	15.8
109.06514	4.8
109.10161	27.0
111.04456	8.7
111.08075	5.7
115.05445	3.5
117.07019	6.5
119.08589	19.6
121.06519	5.0
121.10149	6.8
123.04426	3.3
123.08083	4.0
125.09649	12.2
128.06233	3.5
129.06975	10.7
131.04912	2.7
131.08580	10.5
133.02870	4.6
133.06499	2.8
133.10127	12.6
135.04393	2.7
135.08112	2.3
135.11671	8.4
137.06046	2.7
137.09619	2.9
139.03894	2.7
141.07031	5.5
142.07800	3.1
143.08568	7.0
143.10667	2.7
145.05017	2.2
145.06519	5.5
145.10127	7.7
147.08058	3.1
147.11707	8.1
149.09634	7.1
149.13300	3.7
153.07031	2.9
153.12729	2.4
155.08563	4.5
157.05040	2.2
157.06458	4.7
157.10110	12.2
159.08046	3.7
159.11627	2.2
160.05196	2.5
161.02356	4.2
161.05934	16.8
162.03104	7.1
163.03906	16.4
163.11191	6.1
165.07024	2.2
167.08530	5.3
169.06477	5.7
169.10127	3.8
171.08038	5.2
173.06006	10.2
173.09665	3.8
173.11714	6.8
173.13072	2.0
174.06769	4.1
175.07632	9.4
175.11185	7.7
176.04648	2.9
177.05383	2.2
179.08614	2.7
181.06572	3.3
183.04317	2.3
183.08026	5.2
183.11696	1.9
184.05165	2.3
185.05981	5.5
185.09633	7.6
186.06828	2.6
187.03819	1.9
187.07539	9.4
188.08321	3.0
189.05508	3.9
189.09081	14.5
189.10696	2.4
191.06940	3.1
191.10716	2.5
193.12248	31.0
195.08046	9.9
195.13800	2.3
197.05936	5.1
197.09659	3.6
198.06804	3.1
199.07538	10.4
199.13286	4.1
201.05490	3.8
201.09135	11.2
202.96544	1.8
203.07007	6.0
203.10605	3.2
205.08447	2.3
205.19524	2.5
207.02838	3.7
209.09827	3.3
209.11685	2.9
211.07558	5.0
211.11331	3.8
211.13289	31.2
212.08342	5.7
213.05478	4.4
213.09090	16.8
214.06226	6.4
214.09758	3.2
215.07021	10.2
215.10657	6.9
217.08698	10.9
223.07588	3.2
225.05426	2.0
225.09097	4.3
227.12790	5.1
229.04999	3.7
229.08569	5.7
229.14369	23.5
230.09447	5.1
231.10193	7.2
237.12875	1.9
239.07060	3.8
239.10742	4.2
240.07841	12.8
241.08551	18.1
241.12285	5.2
252.11557	2.0
255.10120	3.5
257.08057	3.3
257.11710	2.7
258.08862	8.5
259.09656	27.5
260.10144	2.0
267.13510	3.3
267.16229	10.8
269.11734	3.9
269.17389	2.3
275.09027	2.0
275.20038	7.3
281.11761	4.3
285.10358	2.4
285.17197	15.6
287.12769	2.3
291.13812	3.3
293.11679	6.3
293.15091	3.1
295.13354	6.4
298.71066	2.0
299.12811	5.3
301.16437	6.0
309.14874	11.8
311.12991	16.1
313.14270	13.4
313.28833	2.0
319.13242	7.0
327.15866	14.1
331.15378	4.2
337.14325	47.4
338.14685	2.7
349.23700	13.9
355.15414	94.1
356.15860	2.3
367.24686	2.4
373.16443	60.5
421.25818	2.8
427.26883	2.5
439.26779	10.4
511.28830	4.8
521.20105	3.0
529.20258	6.0
547.21167	3.4
565.23114	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	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66539	3.7
53.03948	9.5
55.01877	14.2
55.05513	56.1
56.96542	4.4
57.02960	3.6
57.03442	27.3
60.05648	8.6
61.02942	4.3
67.05509	100.0
69.03425	16.2
69.07082	34.6
71.04984	11.1
71.49881	6.9
71.50233	4.6
73.02914	5.2
79.05494	61.2
80.06272	3.9
81.03424	75.9
81.07060	69.0
83.04994	38.8
83.08619	30.6
85.02909	43.0
85.06516	4.4
87.04468	11.8
91.05494	52.0
93.07036	35.6
95.04981	43.4
95.08619	26.6
97.02896	8.3
97.06534	71.3
97.10159	29.1
98.73653	4.0
99.44169	5.2
100.46711	3.6
105.07043	29.4
107.04967	17.9
107.08579	20.1
109.06547	4.0
109.10157	52.3
109.72900	4.2
111.04431	11.1
111.08091	22.3
117.07008	5.8
119.08562	30.7
121.06509	9.1
121.10153	20.2
123.08062	5.0
125.09641	25.5
129.07030	14.7
131.08571	21.3
133.10127	17.3
135.08044	5.4
135.11749	5.1
137.09659	8.1
141.07034	5.6
142.07773	5.8
145.06490	4.7
145.10094	9.8
147.04378	4.6
147.08066	6.2
147.11687	16.2
149.09624	13.1
157.10141	17.6
160.05141	7.5
161.06027	13.4
162.03067	5.4
163.03891	14.7
163.11165	5.8
165.05423	5.0
171.07983	4.8
173.05943	7.1
173.09586	5.3
173.11749	20.6
175.11172	20.5
185.06042	4.4
185.09677	4.5
187.07600	8.6
189.09140	17.2
191.10698	4.0
193.12248	56.6
195.08127	7.2
199.07510	4.7
199.13324	11.0
201.09114	6.0
203.03555	4.4
211.07643	4.6
211.13275	81.1
211.15076	6.9
213.09114	9.1
215.06941	8.5
225.09248	7.0
227.12772	7.2
229.14365	58.8
231.10295	6.3
235.14764	7.1
240.07883	6.9
241.08730	8.4
245.16829	4.5
258.09109	7.0
259.09732	16.6
267.15982	34.7
283.15466	5.1
285.17081	47.4
287.14902	6.4
295.13290	7.6
301.16486	16.0
303.71570	4.3
311.12827	17.6
313.14215	6.9
319.17569	5.4
327.15967	4.9
337.14249	21.9
338.29071	3.7
355.15411	75.4
356.15955	4.8
373.16486	19.3
384.10477	5.0
421.25754	7.9
439.26874	28.4
479.26370	5.4
511.28979	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	565.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39030	0.6
55.01867	2.8
55.05516	3.6
57.03414	2.1
64.00097	0.7
65.03912	1.6
67.05508	8.6
69.03431	3.6
69.07073	9.3
70.08278	2.4
70.32913	0.7
71.04978	1.4
79.05167	0.6
79.05504	6.9
79.59924	0.6
81.03397	2.4
81.07064	5.2
83.04988	7.9
83.08624	1.3
85.02916	3.2
85.06538	1.1
91.05503	3.3
93.03394	1.3
93.07045	2.3
95.04964	4.5
95.08614	1.8
97.02885	0.8
97.06530	32.6
98.06851	2.0
99.08099	1.0
103.05477	1.0
105.07004	2.2
107.04935	1.0
107.08588	0.8
109.10168	1.9
111.04430	3.4
115.05415	1.4
117.07018	1.6
118.77651	0.7
119.08571	1.5
121.06497	0.8
121.10142	0.8
123.04416	2.2
128.06207	2.0
129.06985	2.7
131.04932	1.7
131.08534	1.9
133.06464	0.8
133.10101	1.7
135.11592	0.8
137.02393	1.0
139.03925	1.0
141.06981	1.6
142.07790	1.4
143.04881	0.9
143.08565	3.7
145.06438	2.4
145.10091	1.7
147.04367	1.4
147.56781	0.7
149.02336	2.4
149.05968	1.7
153.06969	1.5
155.08580	1.2
157.06454	1.5
157.10104	2.5
158.07259	1.2
159.08040	3.1
159.11794	0.7
160.05161	1.4
161.05980	8.8
161.09592	0.8
163.03896	2.7
163.07628	0.8
165.05519	0.8
165.06961	1.0
167.07224	0.8
167.08517	3.4
169.06491	1.7
169.10132	1.6
171.07996	6.5
173.05965	3.8
173.09616	2.7
174.06709	3.4
175.03954	1.1
175.07556	6.2
177.05452	1.3
177.09068	1.3
181.06436	1.5
183.08055	2.9
183.09569	0.6
184.08829	1.1
185.05952	2.2
185.09596	3.7
186.06743	2.3
186.10310	0.8
187.07524	8.4
188.08289	2.3
189.05481	3.1
189.09117	9.5
191.07062	4.7
191.10616	1.9
193.04980	0.9
193.08678	0.9
193.12244	1.4
195.08018	3.7
197.05920	1.5
197.09543	1.9
198.06705	1.9
199.07558	8.1
200.08261	1.7
201.05359	1.2
201.09085	5.5
202.06114	2.0
202.09895	1.2
203.07059	4.3
203.10637	1.7
205.08522	1.5
211.07474	2.6
211.11201	0.8
212.08278	2.8
213.05486	1.4
213.09108	9.7
214.09775	3.0
215.07071	4.1
215.10678	3.3
216.07770	3.0
217.05035	1.5
217.08575	8.5
221.31737	0.7
223.07463	1.0
227.07028	1.1
227.10667	1.3
229.04944	1.6
229.08632	3.6
229.14287	1.9
230.09264	4.1
230.14716	0.7
231.06534	1.2
231.10124	3.9
232.07199	1.9
233.08113	1.9
234.08798	1.0
235.09619	0.9
237.12619	0.8
239.06918	1.2
239.10661	0.9
240.07773	1.2
241.08566	3.4
241.12088	0.9
242.09108	0.7
243.06447	1.3
243.10260	0.9
245.07947	2.8
246.08810	1.2
247.09471	0.9
253.12332	1.5
257.07965	1.5
257.11771	1.1
258.08847	2.9
259.09668	4.9
260.09991	0.9
265.12216	1.5
267.13736	1.6
269.11685	2.2
269.15240	2.2
275.11261	0.9
276.09964	1.8
277.10733	3.0
283.13245	2.1
285.10828	1.0
285.14728	0.9
287.09344	0.9
287.12692	3.3
287.15967	1.2
291.13745	1.5
295.13293	2.7
299.12622	2.2
301.13980	1.1
309.14758	2.7
311.12860	1.8
311.16220	1.1
313.14246	4.4
315.12234	1.0
317.13699	11.1
325.14465	0.8
326.11389	0.9
327.15955	3.0
328.15894	0.9
329.13763	0.9
331.11859	1.3
331.15341	6.6
337.14322	6.6
338.14651	1.3
345.12878	3.0
355.15396	13.4
356.15805	5.0
359.14578	0.7
373.16446	100.0
374.16617	1.1
391.17358	2.2
413.68393	0.9
461.17822	1.1
479.18881	17.1
486.30304	0.7
521.19928	52.6
529.20660	1.0
547.21667	2.0
565.18225	76.5
566.19110	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	565.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.1
51.02367	1.6
53.03946	5.5
55.01863	2.9
55.05518	1.4
57.03439	1.8
59.04985	1.8
60.08441	0.8
65.03925	1.3
66.39198	0.8
67.05503	12.8
68.93903	0.7
69.03430	19.4
70.06594	1.5
71.01347	5.1
71.04987	2.7
72.08152	1.1
73.02904	1.4
74.81244	0.8
77.03916	2.0
79.05024	1.3
79.05489	26.3
81.03421	16.5
81.07054	3.7
83.04966	3.0
84.08131	1.1
85.02900	13.9
87.04482	0.8
89.77311	0.8
91.05473	9.5
91.89659	0.8
93.07039	9.4
95.01308	1.1
95.04967	44.8
95.08626	2.3
97.02896	12.8
97.06528	3.7
98.21654	1.2
99.04468	3.4
103.03934	2.6
103.05461	14.2
105.03402	2.2
105.04498	2.1
105.07026	3.3
107.04955	100.0
108.45554	0.8
109.02877	85.4
109.06516	9.4
111.04448	4.5
115.05440	0.9
117.07075	1.0
119.04938	1.9
121.06496	17.1
123.04427	24.9
123.08059	0.9
124.61602	0.8
125.02351	41.2
125.05980	4.2
127.03918	19.3
129.05461	2.5
131.04916	8.0
131.08620	0.8
131.46657	0.7
133.02831	2.9
133.06483	1.7
135.04402	8.2
137.05974	2.6
139.03897	24.4
139.07516	0.9
141.05544	1.3
145.04974	10.0
147.04422	2.5
149.05974	32.1
149.07155	1.8
151.03902	84.7
153.05464	10.1
159.04399	8.1
161.05972	0.9
163.03932	1.1
165.05479	60.5
167.03461	0.9
167.07040	27.6
168.19383	0.9
170.76683	0.9
171.06531	1.4
173.05943	1.0
175.03937	3.0
175.07455	0.9
177.05467	81.2
179.07118	1.4
181.04869	1.4
181.08600	1.1
183.06525	1.5
189.07573	4.1
191.07019	3.1
193.05095	2.0
195.06529	39.1
209.08087	45.9
211.33998	0.8
215.09088	0.9
227.09203	3.8
230.24008	1.2
269.10242	1.9
277.07007	0.8
295.08136	2.9
303.08582	1.7
321.09790	3.0
327.08841	1.4
339.10703	11.0
345.09610	1.0
353.10474	1.3
371.11224	1.7
403.14581	1.2
547.17786	1.5
565.19226	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	565.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.2
55.05491	1.0
56.96568	1.2
57.03428	1.6
67.05510	1.9
69.07065	1.6
71.50070	0.9
73.02946	1.1
79.05481	2.3
80.49465	0.8
81.03410	2.2
81.07066	1.8
83.04984	1.5
83.08620	1.0
83.87930	0.9
85.02912	1.0
91.05468	3.0
93.07037	2.9
95.04980	1.5
95.08582	2.1
96.37392	0.9
97.06541	3.5
105.07033	1.1
107.04951	1.2
107.08604	1.8
109.06498	1.2
109.10188	1.4
111.04473	1.2
114.55983	1.0
117.07030	1.1
119.08605	2.3
121.06535	1.1
121.10171	1.7
131.08592	2.1
133.10190	1.9
163.11174	1.2
196.49089	0.9
222.26393	0.8
248.61697	1.0
283.15219	11.6
339.17670	7.3
349.17120	2.3
367.17978	1.4
373.16522	2.9
390.19772	1.0
413.79114	1.0
505.59055	0.9
565.29871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.05511	8.1
57.07076	7.7
59.04988	1.9
65.03938	1.9
67.05505	19.4
69.03428	3.8
69.07076	10.7
69.67580	9.5
71.04983	1.6
71.08614	2.5
72.95590	1.3
79.05495	16.2
81.03388	2.7
81.07059	24.8
83.02882	1.3
83.04966	3.4
83.08625	9.0
85.06539	2.1
89.71195	1.4
91.05476	25.6
93.07043	29.8
95.04964	10.7
95.08607	24.6
97.06519	3.3
97.10172	3.3
98.20862	2.7
103.05463	3.5
105.07032	47.7
107.04945	1.9
107.08595	23.2
109.06514	4.9
109.10152	16.6
111.08070	1.5
115.05392	3.5
117.07006	10.9
119.08579	43.7
121.06497	3.0
121.10149	33.5
123.04431	4.0
123.08059	7.6
123.11715	3.9
125.05948	2.2
125.09634	2.3
128.06232	6.2
129.06995	8.0
130.07817	4.3
131.08572	17.1
133.10129	25.4
135.08044	5.6
135.11693	10.6
137.09613	6.2
139.80489	1.4
141.06952	3.4
142.07776	13.7
143.08548	19.0
144.09431	1.7
145.10132	26.3
147.08073	8.7
147.11665	9.5
149.09633	4.2
149.13240	1.6
151.07573	6.7
151.57864	1.4
152.15820	1.3
153.07063	2.4
154.07770	1.7
155.08586	9.3
156.09366	10.0
157.10139	30.0
158.10901	4.6
159.08061	3.1
159.11685	16.6
161.09619	1.6
161.13245	6.2
161.14471	1.4
163.11195	5.0
165.07005	3.0
165.09128	15.8
166.07823	2.4
167.08574	8.0
167.10669	3.8
168.09370	5.0
169.10135	17.4
170.10902	6.4
171.11691	17.2
173.09644	2.5
173.13242	14.3
175.11186	2.2
175.14851	5.0
179.08556	9.1
180.09320	4.8
181.10120	11.3
181.12260	4.0
182.10847	3.4
183.11662	13.7
184.12498	3.8
185.13298	11.4
187.14824	4.9
189.12752	4.1
191.08504	1.5
191.14336	2.6
192.09402	2.5
193.10170	11.3
194.10909	8.8
195.11740	13.4
196.12514	4.0
197.13289	14.7
199.14769	8.9
201.16411	2.0
203.08658	1.7
203.14340	5.7
205.10223	3.0
206.10976	4.3
207.11710	12.6
207.13847	4.8
208.12552	5.8
209.13261	15.5
210.91592	1.4
211.14832	7.6
213.16400	5.4
217.10094	2.3
218.10968	2.8
219.11746	5.2
220.12503	6.4
221.13281	8.1
221.15407	27.1
222.14021	2.9
223.14803	8.6
224.15436	1.9
224.97536	1.3
225.12904	1.6
225.16364	3.0
231.11693	5.3
232.12517	2.8
233.13257	7.9
233.15421	3.3
234.14082	2.4
235.12915	2.6
235.15141	6.5
237.16400	5.9
239.17941	5.1
243.11642	1.9
244.12534	2.0
245.13351	4.9
246.14064	3.3
247.14767	3.7
248.15475	1.9
249.16479	4.1
251.17958	4.1
253.19485	3.7
257.13232	3.0
258.14078	3.1
259.14859	4.6
260.15720	3.1
261.16360	5.9
263.17957	6.4
265.19583	6.2
271.14694	2.8
272.15594	2.5
273.16409	2.4
275.18045	3.8
277.19501	4.7
279.21140	3.0
283.15292	2.2
283.20764	2.6
285.16232	2.6
287.17859	3.0
289.19348	2.8
301.19324	1.8
303.20840	1.8
309.16882	4.2
313.27502	5.2
315.20801	1.7
327.21008	1.8
329.22601	1.9
331.24197	4.3
335.23721	2.0
341.22598	2.1
357.25961	5.3
365.24988	2.4
385.29010	3.8
421.32086	1.7
470.97482	1.4
473.34210	7.2
485.34293	2.9
547.39490	14.9
565.40424	100.0
566.40680	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	565.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01868	8.6
55.05515	22.8
55.16108	3.3
57.03426	12.5
57.07074	36.8
65.03912	5.4
67.05502	62.6
69.07069	21.8
69.80552	16.4
71.01335	6.6
71.08635	25.6
79.05160	2.9
79.05495	33.9
81.03413	36.8
81.07050	41.4
83.04977	10.1
83.08614	20.0
85.10175	11.2
91.05466	27.7
93.01824	3.8
93.07035	36.8
95.04967	62.0
95.08614	28.9
97.06514	8.6
97.10150	13.1
103.05444	5.6
104.86346	3.9
105.07038	35.4
107.04947	15.2
107.08610	32.6
109.02869	21.7
109.06496	8.2
109.10143	27.7
111.04427	6.2
111.08086	3.9
117.06996	15.7
119.08575	31.7
121.06535	7.6
121.10130	25.5
123.04418	71.1
123.08065	4.7
123.11710	7.7
125.09589	6.3
128.06293	5.6
129.06955	11.7
131.08589	17.9
131.09418	3.9
133.06459	3.8
133.10100	20.9
135.08076	7.9
135.11737	21.3
137.05969	4.4
142.07751	4.8
143.08527	14.8
144.09296	3.5
145.10065	25.5
147.08046	5.6
147.11710	8.7
149.09653	7.0
153.09041	6.8
155.08534	6.5
157.10152	16.2
159.11697	7.0
161.09683	4.7
163.11134	20.6
167.10756	5.2
169.10107	6.1
170.10947	4.6
171.11653	15.8
173.09595	9.7
173.13213	10.5
179.08600	3.8
183.11653	6.4
185.13223	7.6
189.12776	11.9
191.10651	5.1
195.11618	5.9
197.13162	4.4
207.13675	16.2
209.13315	4.4
211.14836	5.5
217.12230	11.2
221.15370	4.1
223.14871	4.1
235.13260	100.0
239.23741	5.8
253.14568	4.6
263.18256	4.0
309.16971	57.2
313.27365	99.0
313.87402	3.7
412.59125	4.2
467.37112	4.6
536.64355	3.7
547.32782	5.1
547.39984	58.8
565.40637	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	566.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.05494	0.4
57.03441	0.3
59.63755	0.3
61.02920	0.3
61.26355	0.3
66.04708	0.4
66.98196	0.3
67.05493	1.0
69.03407	0.9
69.07055	0.7
70.02952	0.4
74.47487	0.4
74.64391	0.3
79.05497	2.0
81.03423	0.5
81.07063	0.5
83.04969	0.5
85.02879	1.4
85.04308	0.3
88.07632	5.8
91.05470	0.5
94.04177	0.5
95.04957	0.7
97.02855	0.7
97.06529	6.2
98.06865	1.5
109.02860	0.6
109.06513	0.7
114.05534	1.2
122.03650	1.2
125.01553	3.9
126.03112	0.3
129.00990	0.5
129.06985	0.3
138.99458	17.2
139.00508	0.6
155.07025	1.3
155.08292	0.3
161.05977	0.4
162.06270	0.3
163.03972	0.3
165.05472	62.1
166.05754	0.5
167.08609	0.8
185.09331	0.4
187.07585	0.4
188.07915	0.4
195.08089	2.0
199.07678	0.5
204.07524	0.4
208.08682	0.4
210.06805	0.8
211.07587	0.6
214.09557	0.7
215.02536	1.9
223.07443	2.4
226.01944	0.4
227.02628	1.0
229.04141	1.5
230.04927	0.7
235.07578	1.4
238.09875	3.0
241.04031	0.7
241.08466	0.7
242.04964	6.2
243.02055	3.0
249.09125	0.5
251.06992	0.6
257.03534	1.7
258.04449	7.0
260.10062	0.5
261.06799	2.7
261.09186	0.5
264.11334	0.7
266.09418	1.3
270.04425	1.4
273.06757	9.9
276.10092	0.4
286.03864	1.5
288.13678	0.4
301.06247	100.0
302.06580	1.4
305.10590	0.7
312.13242	0.4
317.05743	1.1
328.16119	0.6
332.15625	0.5
338.14764	0.4
340.85373	0.4
355.15228	0.6
356.15726	1.2
357.16287	0.6
373.16431	1.4
374.16821	7.1
386.11530	58.2
387.11914	1.3
404.12698	4.4
566.22888	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	566.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
53.03944	4.4
55.01862	3.7
55.05523	1.1
57.03435	3.6
61.02919	6.2
65.03926	2.6
67.05489	3.7
69.03428	19.0
69.07065	1.7
71.01349	3.1
71.04988	2.8
73.02902	3.0
79.05496	14.7
79.68226	0.8
81.03414	8.7
81.07040	3.7
83.01350	1.3
83.04980	2.4
85.02907	38.2
87.04471	3.8
91.03958	2.7
91.05477	9.4
92.05007	5.7
93.05769	1.8
93.07051	10.5
95.04967	7.7
95.08624	1.4
97.02892	15.6
97.06532	5.5
99.04455	2.4
103.03959	1.1
103.05474	12.0
105.07020	3.7
107.04961	10.4
109.02879	6.5
109.06496	1.4
110.06038	2.0
111.04441	1.4
116.21764	0.9
117.07005	1.4
119.04942	5.3
121.06507	18.9
123.04385	1.1
125.06005	1.4
127.03924	9.1
131.04956	7.8
133.06497	2.1
137.06058	1.8
139.03879	4.0
145.04993	7.4
147.04385	4.1
149.05984	25.2
151.03882	1.0
151.07538	1.8
153.05432	1.1
157.10103	1.0
159.04439	7.1
165.05498	7.5
167.07108	4.5
168.08052	0.9
169.08827	1.7
176.03165	5.1
177.04007	1.5
177.05460	17.1
178.04752	34.5
179.07130	1.4
180.08083	13.6
180.09563	0.6
181.08820	10.8
188.03168	1.6
189.05479	1.0
190.04742	12.9
191.07030	11.1
195.06552	9.9
197.08235	1.0
202.04787	1.3
209.08070	16.5
214.04741	1.3
227.09145	5.9
228.06248	2.1
240.06416	1.4
251.05563	5.0
254.07887	23.2
256.09555	1.2
258.07333	4.3
260.10153	1.1
264.06381	4.4
265.07043	2.0
266.07877	38.0
267.08640	1.4
268.09183	1.5
278.08032	1.0
280.09372	2.4
282.07458	1.8
284.05573	1.0
284.08902	21.1
290.07965	2.5
294.07220	1.3
296.08978	1.7
306.07437	1.4
308.08960	8.6
318.07184	1.2
324.08356	1.5
336.08423	8.9
354.09488	15.7
368.11060	11.5
372.10660	1.3
373.16324	1.8
374.16751	6.3
386.12097	82.5
387.12497	1.2
404.13162	100.0
405.13428	1.8
455.25226	0.9
536.32440	0.9
566.22632	2.8
577.22729	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	566.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
53.49296	1.0
55.01862	4.5
55.05507	8.1
57.03439	7.8
57.07059	2.5
59.04988	1.3
61.02917	3.1
64.04559	1.0
65.03928	1.4
67.05498	10.2
69.03424	14.1
69.07073	7.1
70.06591	7.5
70.54654	3.0
71.04987	26.1
72.08158	1.6
73.02918	15.2
73.06525	1.9
79.05490	13.3
81.03393	2.4
81.07053	40.1
81.99139	1.0
83.04974	3.6
83.08611	3.6
84.04478	1.7
84.08128	3.1
85.02902	28.5
85.06539	4.0
86.09702	2.6
87.04483	2.4
91.03941	1.3
91.05473	16.3
93.06484	1.8
93.07040	18.0
93.07594	1.9
95.04958	4.8
95.08600	16.8
97.02893	18.9
97.06519	7.4
97.10149	4.8
99.04487	2.1
99.08093	10.6
105.07030	50.4
107.04924	1.2
107.08591	25.0
109.02898	2.5
109.06510	3.7
109.10155	15.7
111.08080	1.6
112.07610	2.3
115.03932	6.8
115.05408	1.0
117.07005	4.6
119.08578	22.4
120.08090	1.3
121.06503	2.1
121.10139	15.0
123.08035	1.3
123.11705	7.3
125.09625	40.4
127.03928	7.6
127.07549	7.4
127.11214	8.6
129.09109	1.4
129.10201	1.4
131.08586	8.3
133.04951	9.1
133.10127	88.3
134.10475	1.1
135.11682	4.9
137.05995	3.5
137.09694	1.2
139.11186	3.4
140.07043	3.8
143.10669	100.0
145.04950	8.4
145.10147	13.2
147.11679	26.7
149.09586	1.1
149.13251	12.0
151.03896	1.7
151.11214	7.3
155.10625	2.2
157.10106	2.1
159.11696	15.6
161.13232	10.0
163.06029	4.6
163.11156	1.5
165.12810	1.4
167.07065	2.1
167.14313	31.3
169.12219	6.4
171.57901	1.0
173.13313	2.0
175.14838	2.3
177.12759	3.2
178.81772	1.2
191.17911	2.0
201.16383	15.0
203.07301	1.1
203.17969	2.2
219.17430	73.6
221.19032	1.2
223.06003	1.7
227.10126	1.0
232.94629	1.0
237.14873	3.9
237.18494	17.9
241.07161	2.4
258.74561	1.1
259.08151	3.2
270.36398	1.0
277.08981	1.9
281.62601	1.3
291.61319	1.0
295.10114	3.3
330.59030	1.1
347.11780	1.1
351.21542	1.5
374.16870	2.8
381.22778	1.4
386.21658	2.0
404.22791	3.3
474.35001	1.1
517.21503	1.1
547.59326	1.2
566.21924	3.0
566.30615	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	566.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01859	13.2
55.05499	15.1
56.96561	5.6
57.03437	25.2
59.04994	6.4
61.02919	16.3
65.03943	6.1
67.05506	25.7
69.03090	4.9
69.03429	43.7
69.07072	21.9
69.99525	18.6
70.02940	5.3
70.06592	33.5
71.01345	8.7
71.04990	8.0
72.08146	14.2
73.02919	100.0
79.05487	32.7
81.03408	13.7
81.07059	67.4
82.23979	3.5
83.04973	13.8
83.08608	8.8
84.04483	6.1
84.08140	11.3
85.02451	5.8
85.02912	79.2
85.06546	20.7
86.09706	24.6
87.04455	13.6
91.03944	4.7
91.05461	27.7
92.81036	4.4
93.07050	48.8
95.04981	23.0
95.08616	46.6
97.02895	55.0
97.06528	53.9
98.06821	8.5
99.04456	4.3
100.07571	4.2
103.05443	6.7
105.07033	55.4
106.81742	4.0
107.04960	8.6
107.08595	52.5
109.02893	6.9
109.06516	8.5
109.10170	29.6
111.04437	7.8
111.08072	8.1
111.11765	3.9
113.09644	6.3
115.03944	23.9
115.07550	4.3
116.98631	5.9
117.07002	10.5
119.08573	40.3
120.08116	20.6
121.06558	6.4
121.10143	47.1
123.08067	10.0
123.11698	11.3
125.09596	5.6
127.03918	20.2
128.06157	4.3
129.05505	4.3
129.07007	3.6
129.10234	5.2
131.04901	8.8
131.08554	16.3
133.04955	30.3
133.10133	26.4
135.04408	5.2
135.11708	28.4
136.07629	4.9
137.05966	20.4
137.09567	6.1
139.11232	3.9
141.09111	13.8
143.10684	9.5
145.04973	21.4
145.10112	46.3
147.08023	4.0
147.11682	16.5
149.06027	4.4
149.13272	12.0
151.03908	6.3
151.11192	10.1
157.10071	6.2
159.11681	32.8
161.05997	5.0
161.13232	36.7
163.03914	14.2
163.06029	6.6
163.07420	3.7
163.11139	9.5
163.14897	4.9
165.05540	5.1
166.08649	7.2
167.07053	14.9
167.08484	3.1
173.02324	3.9
173.13239	11.0
175.07480	5.2
175.14894	4.4
176.03110	3.3
177.05473	8.7
179.14372	9.3
181.05000	5.0
181.08630	4.7
185.12964	6.7
187.07486	6.2
189.09106	5.0
189.16313	7.0
191.06949	4.2
191.17918	7.9
193.08517	4.8
199.07545	4.4
201.09108	4.1
201.16371	50.3
203.07037	6.0
205.12103	4.0
213.08920	6.4
214.09416	4.6
215.07025	7.0
219.17448	51.6
237.18546	27.8
257.08142	4.3
259.09778	7.0
260.09961	6.0
285.10233	4.8
286.10483	4.8
314.01959	4.0
317.78568	3.6
328.16315	5.3
331.67487	23.2
332.17752	7.7
345.84283	3.6
355.15381	5.7
356.15817	9.8
373.16367	8.8
374.16791	46.1
566.22809	28.8
567.23718	5.0
588.81488	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	567.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.05505	0.7
57.03435	1.0
59.04994	0.6
59.06007	0.3
67.05516	2.3
69.07079	0.6
69.86285	0.5
69.86699	1.6
71.04993	0.8
75.54815	0.3
79.05515	1.9
81.03436	1.8
81.07055	2.0
83.04989	0.7
83.08633	0.8
84.86365	0.3
85.02908	2.1
89.67826	0.3
91.05470	1.8
93.07050	1.8
95.04985	1.4
95.08611	1.1
97.06547	1.4
105.07013	1.6
107.04966	0.4
107.08604	0.6
109.06538	0.5
109.10164	0.9
117.07032	0.5
119.08639	1.0
121.10139	0.5
129.06996	0.5
131.08600	0.8
133.10141	0.8
147.11697	0.8
149.01289	0.7
149.09686	1.1
157.10204	1.0
175.11218	0.5
193.12323	0.7
229.07542	1.1
233.11568	0.7
247.08522	0.8
251.12619	1.5
283.15152	10.4
283.18112	0.7
307.15326	1.1
327.97778	0.3
339.17847	5.9
349.17181	1.0
350.33206	0.3
423.23087	0.5
477.24280	1.5
567.31586	100.0
568.32068	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	568.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.60889	0.2
66.04708	0.2
69.03413	0.4
69.57349	1.0
79.05489	0.4
79.20161	0.2
79.44740	0.2
81.07035	0.2
85.02917	0.9
95.04948	0.4
97.02892	0.5
105.00953	0.2
105.62019	0.2
106.08650	0.4
107.04929	0.2
109.02919	0.4
109.06465	0.2
115.94833	0.2
122.03656	0.7
125.01542	2.7
126.03024	0.2
129.01007	0.3
138.99454	10.0
140.99043	0.2
155.07051	1.1
165.05472	36.7
166.05798	0.3
167.08566	0.4
178.07697	0.2
195.08040	0.8
199.03201	0.2
212.03912	0.3
215.02612	1.2
223.07504	1.6
227.02620	0.7
228.03284	0.2
229.04143	0.8
235.07463	0.5
238.09889	2.6
240.03305	0.2
242.04912	4.9
243.02104	2.0
243.04550	0.2
243.05678	0.2
251.07060	0.2
253.36856	0.2
256.05313	0.3
257.03683	0.8
258.04416	4.3
266.09290	0.7
270.04337	0.8
273.06769	5.7
273.09735	0.4
285.05716	0.3
286.03876	0.7
300.08072	0.4
301.06244	100.0
302.06647	0.8
303.05991	1.1
344.10382	1.6
388.11292	0.5
406.14172	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	568.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.1
55.01865	0.1
61.02915	0.3
68.99818	0.1
69.03426	0.8
70.06578	0.6
70.84840	0.4
71.04987	0.2
73.02873	0.1
79.05486	0.5
81.03409	0.4
81.07065	0.2
85.02895	1.2
85.48412	0.1
87.00015	0.2
87.04445	0.2
88.07629	1.7
92.84967	0.1
94.04179	0.3
95.04999	0.2
97.02882	0.5
105.03330	0.1
106.08672	2.3
107.04906	0.2
109.02871	0.3
109.06508	0.3
110.65745	0.1
114.05516	0.3
122.03637	0.5
125.01540	3.0
125.02386	0.2
126.03115	0.2
127.03893	0.2
129.01001	0.3
131.04930	0.1
132.06551	0.3
137.01463	0.1
138.99454	11.0
143.74536	0.1
143.92593	0.1
152.06207	0.2
155.07005	1.4
162.99478	0.2
164.71620	0.1
165.05470	41.4
166.05809	0.3
167.08556	0.4
168.10199	0.1
177.06984	0.2
178.07777	0.3
179.08427	0.2
187.02997	0.1
191.07007	0.2
195.08035	0.9
196.09628	0.2
199.03120	0.2
201.04555	0.2
212.03780	0.1
215.02518	1.2
223.07532	1.5
227.02545	0.8
228.03326	0.4
229.04179	0.7
230.04901	0.2
235.07487	0.5
238.09885	1.9
240.03375	0.2
241.04131	0.3
242.04915	4.6
243.02057	1.9
243.05586	0.3
251.06926	0.3
256.02795	0.1
257.03650	1.1
258.04425	4.5
266.09332	0.7
268.13879	0.9
269.03824	0.2
270.04422	1.0
273.06757	5.9
286.03860	0.9
301.06241	100.0
302.06635	1.4
319.05365	0.2
345.08795	0.3
388.12958	0.6
398.19714	0.1
406.14166	7.0
407.14435	0.2
445.10269	0.2
463.11377	0.3
550.18170	0.2
568.19098	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	568.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07994	0.3
57.48444	0.3
61.02930	0.4
69.03425	0.5
70.06583	0.5
70.23017	0.9
79.05493	0.7
81.03407	0.5
85.02898	1.1
88.07637	1.5
94.04189	0.3
95.04980	0.3
95.33167	0.2
97.02889	0.6
97.06557	0.2
106.08661	2.7
107.26392	0.2
109.02866	0.3
109.06528	0.4
112.38294	0.3
114.05554	0.3
122.03661	1.0
125.01551	3.2
129.01042	0.4
138.99457	12.2
155.06978	1.6
165.05478	42.4
166.05846	0.4
167.08533	0.6
168.04240	0.3
178.07756	0.3
194.07199	0.2
195.08109	1.4
199.03143	0.3
211.03227	0.3
213.70496	0.2
215.02510	1.6
223.07562	1.7
227.02507	0.8
229.04140	0.8
230.04820	0.4
235.07578	0.9
238.09877	2.3
242.04939	4.8
243.02049	2.4
251.07237	0.3
257.03683	1.1
258.04398	4.2
266.09406	0.9
268.13953	1.2
270.04437	0.8
273.06775	6.7
286.03833	0.9
301.06256	100.0
302.06610	1.0
303.06052	0.3
388.12979	0.5
406.08847	0.4
406.14117	7.2
463.11398	0.4
568.19232	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	568.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01857	4.4
57.03434	1.7
59.04995	3.2
61.02914	1.8
67.05496	2.1
69.03439	11.8
70.63603	3.7
71.01348	2.4
71.04974	3.1
73.02913	1.6
79.05504	9.9
81.03422	7.4
81.07025	2.7
83.05006	2.2
85.02911	16.4
87.04487	1.8
91.05462	4.1
93.07035	6.8
95.04961	18.5
95.57854	1.4
97.02892	13.1
99.04451	5.1
103.03941	2.0
103.05488	3.1
105.03329	1.5
107.04958	100.0
109.02884	38.3
109.06506	4.3
111.04425	2.2
121.06503	15.3
123.04451	7.4
125.02344	4.5
127.03911	20.3
129.05524	2.2
131.04982	2.7
133.02885	2.3
135.04411	20.5
139.03896	12.2
145.04935	6.1
149.05974	15.3
151.03900	18.3
153.05486	5.1
159.04428	3.5
165.05472	77.4
167.07051	15.2
177.05467	37.8
183.06540	1.7
195.06569	18.7
207.06560	1.6
209.08099	42.0
213.07593	1.9
225.07634	2.0
227.09129	55.7
303.08917	1.8
321.09647	5.6
339.10950	7.7
353.12231	5.8
357.11694	4.3
371.08667	1.5
371.13269	6.2
528.64343	1.7
568.24219	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	569.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
53.35763	1.0
55.01881	1.3
61.02910	2.5
64.54947	1.2
67.05500	3.2
69.03426	8.1
69.82259	3.3
69.82674	4.3
70.06575	4.1
71.01345	2.6
71.04992	1.4
79.05480	12.5
81.03432	7.9
81.07047	4.3
84.04520	2.6
84.08150	3.0
85.02896	8.3
86.06060	5.2
86.09710	1.9
87.04469	4.2
91.05485	4.2
93.07056	4.4
95.04969	69.1
96.08107	1.4
97.02892	11.5
97.06511	3.3
98.06048	2.9
103.05470	4.7
104.07098	4.1
105.04463	1.3
105.07037	2.0
107.04961	63.5
108.05270	1.4
109.02882	27.8
109.06540	2.5
109.10098	1.3
110.09656	1.9
112.07601	1.4
120.08092	1.7
121.06522	8.7
123.04430	12.4
125.02350	28.1
125.03185	2.3
125.06000	3.3
125.85111	1.2
127.03925	5.4
131.04880	1.7
133.02878	3.4
135.04416	4.0
138.09138	2.2
139.03925	1.3
140.07066	1.4
149.06017	15.7
149.09598	2.7
151.03908	100.0
153.05470	9.0
159.04459	2.1
166.08635	8.0
167.07059	1.9
177.05478	28.2
193.12326	2.6
195.06526	72.8
213.07558	25.5
226.00876	1.3
268.16479	1.6
285.17029	2.5
286.17410	1.7
315.09982	1.5
339.10614	1.4
344.20969	1.4
345.20920	2.0
357.11777	4.6
362.21823	2.2
363.22083	1.9
371.22424	1.6
388.23178	5.7
389.23578	8.2
407.14020	1.7
550.28540	1.6
551.28961	15.1
569.22296	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	570.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
61.02921	0.9
67.01900	0.4
67.05518	0.8
67.29295	0.6
68.34343	0.6
69.03428	2.8
69.13267	0.5
69.32582	5.0
70.06580	2.1
71.04990	0.7
72.08145	1.7
74.06063	0.8
79.02301	0.6
79.05486	2.2
81.03397	1.2
81.07051	1.2
83.02778	0.5
83.04964	0.7
84.08146	1.0
85.02911	5.7
86.09684	1.2
91.05495	4.6
93.07047	3.2
95.04951	1.6
95.08617	0.8
97.02884	1.5
97.06537	0.6
103.05466	1.7
105.07013	2.1
106.04168	0.7
107.04964	7.2
109.02900	0.6
110.03671	0.5
115.05445	0.6
117.06998	1.1
119.04935	1.4
119.08517	0.6
121.06507	4.7
123.04449	1.8
124.05240	1.3
125.05966	0.8
127.03949	1.4
128.06239	1.1
129.07024	5.6
131.04906	2.2
131.08560	3.2
133.06496	1.5
133.10080	0.6
135.08032	1.5
137.05986	4.1
145.05074	0.7
145.06441	1.3
147.04393	0.8
148.05180	0.7
149.05981	1.7
151.03935	1.2
151.07541	3.8
152.04683	0.7
153.05476	3.3
155.07053	0.7
157.06493	5.5
159.08101	0.7
161.05980	9.9
161.09596	2.6
163.07530	6.6
165.05571	0.6
165.06993	1.3
165.09131	2.1
166.06261	2.0
167.07059	21.1
174.06744	2.7
175.07552	4.3
177.09126	4.2
179.07170	0.9
179.08609	1.2
181.06924	1.1
181.08606	22.3
182.07240	0.9
187.07594	0.5
189.09111	20.1
191.07010	1.4
191.08586	1.3
191.10609	0.8
193.06677	0.6
193.08615	1.5
194.07170	0.7
195.08070	2.8
197.09610	1.5
203.10652	0.6
207.08209	1.0
207.10161	5.4
208.08931	0.7
210.06747	1.3
211.07602	1.1
213.08922	0.7
219.08072	1.9
219.10110	1.2
219.65244	0.7
220.08470	0.6
221.05887	0.9
221.11726	0.7
222.06851	0.6
223.07512	1.9
223.11212	1.3
224.08231	1.1
225.09122	3.1
227.07051	1.1
235.07599	0.9
236.08243	0.7
237.09010	1.2
239.06961	0.6
239.10690	1.0
240.07906	1.4
241.08598	0.9
242.09383	1.1
247.07571	1.1
251.07066	1.4
251.10736	1.8
253.04843	0.6
253.08601	3.2
255.06685	0.8
255.10184	1.6
257.11703	4.2
264.07761	0.7
265.08676	1.6
267.10229	1.2
268.07285	0.7
270.08929	1.1
271.13266	0.8
279.10272	2.3
281.07886	0.7
283.09653	4.1
283.13330	3.1
285.11227	7.2
297.11377	0.9
299.09329	1.0
299.12820	0.8
302.11575	1.8
305.13666	0.8
311.12790	2.2
315.12277	5.1
317.13852	6.8
329.13904	1.1
331.15387	1.2
341.14111	0.7
343.11594	0.9
343.15424	10.4
361.16458	100.0
362.16885	0.6
373.16418	2.2
378.10300	0.7
419.87128	0.6
493.96115	0.6
561.10651	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	570.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01863	0.6
55.05502	0.6
56.05027	1.0
56.96566	0.9
57.03422	1.4
60.04514	1.0
61.02914	1.1
62.35298	0.6
64.60851	0.7
67.05506	1.2
69.03410	2.9
69.07056	1.0
69.50723	3.5
69.51139	1.5
70.06596	3.6
71.04951	0.7
72.08138	1.3
79.05486	1.3
81.03431	3.2
81.07059	1.4
84.04482	0.8
84.08114	2.7
85.02908	7.5
86.09700	2.8
87.04494	0.7
91.00291	0.6
91.05491	3.4
93.07034	1.0
95.04936	1.4
97.02887	2.9
97.06522	1.3
98.20770	0.8
98.97577	1.4
99.19362	0.7
103.05456	1.1
105.07070	0.7
107.04960	2.8
109.02909	0.7
109.06554	0.7
110.07141	0.7
115.05425	1.9
120.08098	2.7
121.06480	1.8
124.05141	0.8
127.03863	1.8
128.06219	1.5
129.07010	8.4
129.10249	1.0
131.04932	2.5
131.08578	7.9
133.06390	0.8
137.05994	3.5
139.03915	0.9
141.06979	5.6
144.05650	0.9
145.04979	1.9
145.06514	0.9
147.04434	1.2
149.01218	1.2
149.05986	1.3
151.03894	0.9
151.07455	1.3
153.05476	1.1
157.06485	9.2
158.07263	2.8
159.08063	8.0
160.05109	1.0
161.05977	3.7
161.09616	1.5
162.07640	1.1
163.06233	0.7
163.07472	3.1
165.05473	3.0
165.09151	0.8
166.06200	1.0
167.07037	8.3
169.06479	3.1
170.07297	1.2
173.05962	1.0
174.06778	14.7
175.07556	5.3
177.00665	1.5
177.05470	1.0
177.09126	1.3
180.08638	1.2
181.08621	8.3
182.11710	1.1
186.06726	3.7
187.07579	0.9
188.08344	0.9
189.09100	32.9
191.07014	1.4
191.08873	0.7
191.10597	3.1
201.09105	10.5
207.10141	1.6
219.10162	100.0
225.09105	1.3
225.17213	0.9
253.08527	0.8
257.11789	0.9
271.26245	0.6
283.13342	0.8
285.11261	1.6
288.16080	1.2
297.11060	0.6
306.16986	0.8
315.12271	2.0
317.13815	2.4
324.11340	3.3
324.61508	1.4
340.12857	0.8
343.15387	3.7
361.16443	22.0
378.09967	2.2
473.14963	0.9
529.46893	0.9
570.29279	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	571.273
Annotation	Phe Tyr Leu Glu
Peak:m/z	Relative Intensity
53.03940	0.4
53.84703	0.4
55.05514	0.6
61.02932	0.7
64.14850	0.4
67.05482	0.9
69.03430	1.0
69.07082	1.0
70.06595	3.8
70.17795	2.0
71.04997	0.5
72.08157	1.0
74.06036	0.4
79.05494	1.2
81.03434	0.5
81.07073	0.8
84.04496	1.0
84.08138	1.5
85.02902	1.4
86.09711	1.9
91.05473	1.2
93.07044	0.7
95.04975	0.8
95.08622	1.0
97.02916	0.8
97.06544	1.3
103.05486	0.5
104.07142	0.5
105.07062	0.7
107.04944	0.5
109.02892	0.6
109.10159	0.5
117.07063	0.4
120.08115	1.2
121.06528	0.5
127.03976	0.6
129.10265	0.8
131.04897	0.6
131.08656	0.5
137.05975	1.1
145.06267	0.6
146.09683	0.4
147.04433	0.7
155.03088	0.5
156.04828	0.7
157.06668	0.6
165.05469	0.6
167.07062	2.4
173.09401	0.4
175.07469	0.7
181.04994	0.4
193.08710	0.5
201.03729	1.2
203.05339	1.1
261.18158	3.1
275.07455	1.3
277.17792	0.6
278.12112	0.5
296.13080	1.0
333.07910	21.8
335.09497	12.9
335.24146	1.1
364.63550	0.4
409.22421	0.8
435.91092	0.5
442.20297	0.7
553.20471	0.5
571.27228	100.0
572.27527	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	571.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.01858	4.8
55.05511	30.7
57.03432	3.9
57.07061	6.0
65.03941	3.8
67.05179	6.0
67.05510	51.0
68.63184	3.1
69.03428	5.4
69.07064	41.9
69.35217	3.3
71.04989	7.0
71.08641	5.4
71.17388	2.9
79.05493	43.7
81.03426	12.6
81.07051	49.3
83.04987	10.8
83.08620	9.4
84.08007	3.2
85.06512	5.0
91.05489	35.0
93.07042	55.3
95.04948	18.2
95.08605	44.8
97.06544	10.6
97.10176	10.2
105.07026	35.3
107.04958	5.4
107.08595	27.8
109.06519	5.1
109.10138	16.7
111.11742	4.9
112.55950	3.2
117.06998	11.2
119.08588	34.3
120.09367	5.2
121.06503	3.8
121.10138	33.8
123.11716	7.3
129.07019	7.9
131.08577	16.0
133.10147	28.7
135.11697	14.7
137.09628	9.9
139.11160	16.9
143.08563	4.8
145.10049	16.5
146.16721	3.7
147.11742	22.3
149.09650	4.1
149.13248	11.9
149.71448	2.9
151.11205	6.4
157.10110	3.7
159.11684	14.4
160.82193	3.2
161.13252	12.2
171.11703	4.8
173.13293	10.9
175.11250	3.5
175.14796	9.0
183.11784	5.0
185.13271	4.6
196.53435	4.2
199.14792	4.5
203.12785	12.7
213.16379	3.8
215.17961	4.1
221.15401	4.6
241.19556	5.3
249.22198	3.8
259.20630	9.5
264.97763	3.5
275.20078	58.5
276.20847	10.1
277.21646	100.0
295.22635	36.7
301.21442	6.7
331.44836	4.3
369.31656	10.2
371.29504	12.9
381.24707	3.8
517.40479	3.8
535.41632	6.0
553.42090	11.6
565.91351	4.5
571.43420	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	572.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	2.4
53.03935	2.0
57.03437	2.5
61.02934	4.5
66.63045	2.0
67.05497	2.4
69.03429	12.4
69.25179	21.1
70.06595	21.1
72.08143	5.7
79.05485	4.3
80.69983	2.1
81.03398	5.0
82.06556	2.3
84.04508	2.7
84.08140	7.3
85.02908	27.4
86.09713	11.8
86.10133	2.0
89.03950	2.1
91.05474	8.3
93.07034	4.7
95.04960	3.5
96.08034	1.9
97.02884	11.4
98.20784	3.4
98.97566	3.9
99.04446	3.0
101.70733	2.0
103.05456	23.8
105.07015	8.1
107.04962	14.9
108.08150	3.9
109.02900	5.8
111.04371	2.3
115.05414	2.7
119.04915	11.2
120.08132	2.1
121.06485	9.8
122.03648	4.7
127.03928	10.6
131.04927	37.1
133.06506	6.9
135.08070	2.7
136.07608	2.4
137.04912	5.3
137.05977	100.0
139.03885	3.1
145.04958	5.3
145.06470	2.5
147.04410	14.7
147.24893	2.0
149.05971	25.6
151.07553	4.2
153.05447	6.5
155.97919	2.0
161.05988	60.3
162.06757	9.4
163.06184	3.5
163.07552	66.1
164.08258	3.6
165.05449	5.9
167.07024	2.3
175.07550	33.6
177.00803	2.2
177.05472	7.7
177.09116	2.6
179.07072	12.4
189.09132	2.0
191.07025	9.9
193.08623	11.0
195.06561	8.0
203.05339	1.8
203.07025	36.1
205.08652	7.0
209.08102	5.1
213.03720	2.6
215.07022	5.7
217.08620	10.7
219.10126	5.8
220.10556	4.4
221.06013	5.7
221.08093	22.5
225.09126	5.7
233.08090	26.0
235.09669	15.2
237.09027	4.3
253.08607	10.6
265.08704	10.1
267.10138	4.1
273.08182	3.0
285.11194	39.3
288.08655	6.1
295.09650	3.0
297.11240	10.1
299.12628	4.1
309.11212	4.5
325.10684	34.4
327.12274	51.2
339.12296	4.5
341.08331	10.0
341.13480	3.7
345.13348	32.8
357.13409	13.9
358.50659	2.3
369.10944	3.0
411.12399	6.4
455.37442	2.3
564.02032	2.6
572.23950	21.9
573.17615	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	573.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	52.8
67.47543	5.7
71.24744	7.1
74.64080	6.6
84.96040	33.6
85.02914	9.6
97.33191	6.5
98.97578	95.6
110.97584	10.6
116.98624	97.3
128.98616	44.1
131.00185	7.6
134.99670	46.8
140.98619	8.9
143.00197	38.9
146.99634	52.5
149.01205	10.4
158.99638	62.8
159.03174	7.7
161.01233	88.1
161.02754	9.6
162.99132	12.2
165.00763	8.8
170.99675	37.1
173.02927	9.2
177.00734	52.7
179.02309	16.0
182.99629	11.5
185.01224	10.7
185.02902	7.7
186.99098	16.0
187.02789	9.0
189.00713	71.2
191.02269	9.0
195.01740	11.0
201.00720	83.4
203.02290	29.7
205.00189	32.8
207.01776	8.0
213.00841	7.1
219.01743	100.0
219.03693	8.7
223.01289	23.0
227.02103	8.8
231.01767	14.3
237.02829	76.4
243.01723	25.6
245.05167	12.3
247.01233	15.8
247.04935	15.8
248.99254	15.0
249.02832	9.0
251.04373	15.0
255.03885	22.0
261.02841	97.4
267.00339	15.3
269.05505	15.4
273.02570	8.5
279.03918	70.1
291.00256	19.0
291.03888	26.1
307.03506	8.9
307.07214	6.6
309.01483	9.9
309.05005	8.4
321.01419	9.6
321.04895	45.2
330.14587	6.4
333.04898	15.0
349.04355	15.4
351.06046	18.0
367.05310	22.0
367.09357	12.6
375.02264	14.2
381.07114	15.7
393.03229	34.5
399.08066	34.1
411.04559	29.2
452.09790	7.0
469.08600	15.8
537.07770	15.8
555.08472	50.9
561.49835	7.1
573.09454	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	573.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03907	0.6
53.31967	0.5
54.70158	0.5
55.01857	0.7
56.91700	0.4
59.04964	0.5
60.99760	0.5
63.02357	0.9
65.03905	1.2
68.46708	0.4
68.99755	1.7
69.87069	1.3
69.87460	1.0
76.03096	0.5
77.03900	0.9
79.05502	3.4
81.03374	0.8
83.04978	0.5
89.03883	1.1
91.05472	3.7
92.02605	0.6
93.06986	0.7
95.04958	5.7
105.03320	1.8
105.04510	0.8
105.06977	0.6
106.04150	0.7
107.04939	2.8
108.02046	2.1
117.03326	1.1
118.04100	2.0
119.01289	2.6
119.04953	2.9
120.02025	1.6
121.02833	0.7
121.06481	0.8
123.04380	2.3
131.04875	1.4
132.02014	1.1
132.91498	0.5
133.02841	4.7
133.06412	0.6
134.03610	2.8
135.04411	3.2
139.03833	0.6
141.06956	1.0
145.02805	0.6
146.03606	0.7
147.00710	2.0
147.04437	3.3
148.05168	6.1
149.02283	0.8
151.03902	8.9
152.06143	1.1
154.77107	0.6
157.06404	0.6
159.04364	0.9
160.05176	1.5
161.02350	3.8
161.05977	1.3
162.03105	1.0
163.03899	22.9
164.04584	0.7
165.06946	1.1
171.04390	1.1
173.02202	0.7
174.79097	0.6
175.03847	2.5
176.04695	4.9
177.05406	1.0
178.02505	0.9
179.03410	4.1
181.06448	1.7
183.04306	1.1
184.05135	1.3
185.05946	1.4
186.03101	0.9
187.03871	0.8
188.04427	0.6
189.01782	0.8
189.05470	1.4
191.03383	5.1
192.04135	2.0
195.04398	1.0
197.05940	1.7
198.06729	1.3
199.03931	4.2
200.04651	0.6
203.03394	8.5
206.02094	0.7
207.02873	7.0
207.06485	7.4
208.03542	1.0
209.05910	1.3
210.06711	2.0
211.03859	1.8
212.04645	1.6
213.05423	2.3
216.04135	4.0
221.05963	1.0
223.03882	7.0
224.04747	0.7
225.01738	0.8
225.05397	2.6
226.02652	0.7
226.06186	2.3
227.03313	1.0
227.06993	0.5
229.04935	1.5
236.04663	2.1
237.05414	4.1
238.06305	2.5
239.03375	8.6
240.04135	2.2
241.04829	3.3
241.08557	1.0
249.05484	0.9
251.03383	5.9
252.04210	1.6
253.04961	2.0
254.02028	1.7
254.05695	1.7
255.06354	0.7
263.03403	1.4
264.04242	1.3
265.04926	3.7
266.02036	1.0
266.05664	3.0
267.02875	4.6
268.03638	1.5
269.04443	2.8
269.07980	1.5
277.04865	0.6
279.02893	4.1
279.06393	1.5
281.04672	2.6
282.05264	2.3
283.05951	0.7
292.03339	0.9
293.04343	2.7
294.05228	5.2
295.02332	2.1
295.05841	1.1
296.03223	2.5
296.06345	0.8
297.04102	1.0
297.07242	0.8
299.01917	0.8
307.02463	2.8
309.03970	1.4
310.04721	3.5
311.05505	4.6
321.03946	0.7
322.04611	1.0
323.05530	3.0
323.08643	0.6
324.02740	0.7
324.06247	1.0
325.03293	1.9
325.07077	3.2
333.03607	0.8
335.05481	1.0
339.04971	12.2
340.05750	2.0
352.06000	1.6
353.06528	100.0
365.06546	1.3
367.08105	72.4
381.06024	97.8
382.06613	1.4
393.05923	5.9
513.07648	0.8
531.09473	0.9
541.07562	3.0
573.10260	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	573.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
54.59193	0.5
55.01861	1.5
55.05496	1.5
56.96549	0.7
57.03424	1.3
61.02921	1.8
64.84106	0.5
65.03934	0.8
67.05493	2.2
69.03432	6.2
69.96941	2.9
73.02912	0.9
79.05491	5.1
81.03420	4.1
81.07058	1.0
83.04983	2.9
85.02908	10.0
91.03902	0.6
91.05496	4.9
93.07043	0.9
94.04195	1.0
95.04976	8.4
97.02891	4.8
98.20802	0.7
99.04441	1.0
102.83942	0.6
103.05457	1.5
104.04986	1.4
105.03407	0.7
105.07034	2.7
107.04955	6.0
107.08598	1.2
109.02875	1.6
109.06515	1.1
109.10212	0.6
114.11665	0.6
115.05455	3.8
116.06258	1.0
117.07020	7.5
119.04956	4.2
119.08537	1.2
120.04483	1.6
121.02845	0.7
121.06512	1.1
123.04443	1.4
123.46436	0.7
127.03919	1.9
128.06201	1.2
129.04491	20.6
129.07031	1.9
130.02892	5.0
130.03828	0.7
131.04930	2.2
131.05927	1.2
131.08554	3.8
132.04457	4.2
133.02803	0.7
133.06474	2.8
135.04427	4.9
135.08032	1.5
136.05199	1.7
137.05972	2.0
139.03889	1.5
141.06985	6.4
143.08536	0.7
144.05740	1.8
145.06508	7.9
146.89876	0.6
147.05531	100.0
151.03928	4.5
155.06099	0.7
159.04385	1.9
159.05539	23.8
159.07986	4.3
160.06372	3.6
161.05965	1.5
163.03889	6.0
163.07529	3.8
164.04640	0.8
165.05482	35.8
169.06497	4.6
173.05963	4.5
177.06609	21.0
187.05038	18.8
187.07498	5.9
189.05502	5.5
191.07018	2.6
192.05302	1.7
197.06006	2.1
205.08568	1.4
215.07013	4.9
215.57838	0.6
218.57114	0.5
229.09802	10.4
233.08167	3.2
239.08215	2.9
247.09444	1.2
265.09955	1.0
291.11292	9.2
309.08719	19.2
309.11880	0.9
333.12375	0.7
339.80023	0.6
341.11310	5.1
343.10779	1.7
351.13516	0.6
360.00443	0.6
361.11816	8.9
379.12888	78.6
380.13358	0.8
393.14481	10.7
393.19391	1.3
411.15503	19.1
573.32361	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	573.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25789	0.4
53.03939	1.0
55.01862	1.7
55.05530	1.0
57.03420	1.3
57.65964	0.4
61.02915	2.0
61.38248	0.5
65.03945	0.8
67.05489	1.0
69.03431	5.4
70.06568	0.9
70.55937	1.6
70.56290	0.4
71.04987	0.9
73.02906	1.0
79.05495	3.5
81.03419	3.6
81.07032	0.8
83.04970	2.0
83.08594	0.6
85.02385	0.6
85.02905	10.9
86.09695	1.4
87.04453	0.8
91.05481	4.6
93.07008	1.1
94.04168	0.6
95.04974	5.9
95.08600	0.7
97.02897	4.5
97.06530	1.2
99.04463	0.8
103.05429	1.0
104.04969	1.4
105.07021	1.6
107.04950	6.7
107.08604	1.0
108.05698	0.7
109.02855	1.7
109.06496	1.0
109.10161	0.5
111.04430	1.3
115.05448	2.0
117.07006	2.8
118.04105	0.6
119.04941	12.9
119.08566	0.6
120.04462	2.6
121.02862	1.2
121.06474	1.4
123.04420	0.9
127.03883	2.7
128.06212	0.8
129.04483	34.0
129.07025	1.0
130.02885	9.3
130.03882	0.9
131.04933	2.2
131.06042	2.4
131.08585	2.9
132.04451	10.3
133.05096	0.6
133.06429	1.0
133.10155	0.5
135.04431	4.9
135.08049	0.8
136.05194	4.8
139.03896	10.8
141.06984	4.1
143.06049	0.6
143.08557	0.6
144.05705	1.5
145.04980	0.7
145.06462	3.4
147.05528	100.0
148.05923	0.7
149.02351	0.7
149.05937	0.7
151.03847	1.6
159.04433	2.6
159.05544	41.9
159.07968	3.0
160.06316	12.6
161.05904	0.7
163.03909	4.6
163.07491	1.6
164.04628	2.8
165.05444	1.8
165.06749	0.6
169.06419	3.5
173.06000	2.8
173.07268	0.5
175.04021	0.5
177.06607	41.5
187.05028	39.1
187.07404	4.3
191.07068	1.7
192.05276	6.6
197.05951	4.6
201.06618	0.8
202.07365	3.6
203.08217	1.1
215.06923	7.5
229.09760	3.6
233.08104	0.6
239.08173	5.5
253.09686	1.0
259.09750	0.5
265.09787	4.2
281.09271	1.2
309.08701	20.1
309.12112	1.0
310.09293	0.9
323.10236	1.2
335.09302	0.8
341.11319	27.7
343.10785	1.3
361.11774	8.2
379.12872	82.3
380.13434	0.9
393.14352	4.4
411.15533	15.0
438.02609	0.6
456.68518	0.6
573.15668	0.6
573.32843	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	573.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01862	1.7
57.03444	1.9
59.04979	0.8
61.02914	2.5
67.05511	1.0
69.03087	1.2
69.03436	12.7
69.07056	1.4
69.18032	9.1
70.06584	1.7
71.04965	1.1
73.02905	1.6
79.05496	3.5
81.03436	4.8
81.07061	1.1
83.04984	1.1
84.04482	0.7
85.02907	15.1
86.09702	3.5
87.04472	1.5
91.03966	1.6
91.05492	5.6
93.07049	2.6
95.04974	2.0
97.02907	7.2
97.06525	1.3
99.04443	1.7
103.05473	2.2
104.04996	2.6
105.07030	2.4
107.04979	2.1
107.08635	0.9
109.02863	2.7
111.04443	2.0
115.05443	4.0
117.07038	6.1
119.04975	0.9
119.08581	1.0
120.04488	3.5
120.08107	0.8
121.06517	1.5
127.03938	3.1
128.06184	1.4
129.04488	9.8
129.07022	1.8
130.02913	5.1
131.04956	2.5
131.08554	5.1
132.04387	4.0
133.06487	0.9
133.10146	0.7
135.04454	1.5
135.08060	3.8
138.16791	0.7
139.02818	1.4
139.03902	21.5
141.06992	8.3
143.08578	1.1
144.05716	1.0
145.05032	1.0
145.06482	5.1
147.05533	97.7
148.05925	1.2
149.05974	1.1
157.10039	0.9
159.04362	2.3
159.05550	11.6
159.08087	4.2
163.03868	1.9
163.07593	1.1
165.05544	1.3
169.06514	7.7
173.05989	3.0
177.05470	1.1
177.06648	10.0
180.39955	0.9
185.82506	0.9
187.05043	9.2
187.07272	6.5
187.08752	4.2
189.05472	1.2
191.07056	2.0
197.05853	3.9
197.70329	0.9
203.08307	0.9
205.08588	1.3
205.52861	0.8
215.08273	50.8
217.12025	0.9
229.08662	2.8
233.07988	1.1
247.09616	1.0
281.12964	1.3
335.09500	4.1
343.10703	1.6
361.11807	13.2
379.12881	100.0
393.14459	17.2
397.13858	5.3
411.15491	61.2
441.24683	1.3
453.17889	0.8
523.17255	1.3
541.18115	1.0
573.21387	1.5
573.28741	24.6
573.47351	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	573.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
53.72912	0.5
55.01859	1.2
57.03424	1.5
61.02929	2.7
67.05502	2.8
69.03429	7.8
69.07059	0.5
70.06589	2.6
70.96309	1.3
71.04989	1.4
72.08134	1.2
73.02908	1.5
79.05478	1.7
81.03413	5.8
81.07027	0.6
83.01313	0.6
84.04494	0.9
84.08135	1.5
85.02908	11.8
86.06049	0.4
86.09711	4.0
87.04469	2.5
91.03920	0.9
91.05463	1.0
95.04967	8.6
95.08604	0.6
95.35397	0.5
97.02894	5.4
97.24264	0.5
98.97572	0.9
99.04440	0.8
105.03392	1.0
105.07042	0.6
107.36609	0.5
107.61262	0.5
109.02856	2.3
109.06506	1.2
116.98663	0.6
118.06533	1.4
123.04411	3.2
127.03909	2.8
129.10248	0.6
130.06581	0.7
131.04935	0.8
133.02864	0.5
136.07707	0.5
137.05994	2.4
144.08063	1.5
145.04980	0.9
146.05997	3.8
151.03911	3.7
165.05478	24.0
167.07178	0.6
169.07643	0.8
170.06061	0.8
177.05563	0.5
181.07695	0.6
182.08366	3.4
183.06641	0.8
183.09180	32.7
188.07086	4.1
195.09253	1.3
203.10751	0.5
206.08363	4.0
207.09163	7.0
209.10680	0.8
210.07909	0.5
211.08658	1.0
219.09155	1.8
221.07027	1.7
223.08783	0.6
228.08919	4.3
229.09698	15.3
234.07851	1.3
235.08659	20.7
235.12328	1.8
237.10274	1.6
238.07440	0.8
245.10788	2.6
247.08607	4.4
247.12297	3.4
249.06595	3.1
251.08302	0.7
253.09662	1.1
254.10495	0.7
259.12296	1.1
261.06577	13.1
263.08157	37.0
265.09720	4.4
267.11343	0.5
273.10178	1.3
275.08157	0.9
277.09726	1.3
277.27896	0.5
279.07645	0.5
279.11307	1.6
280.11990	0.5
281.09378	1.0
281.12814	2.7
287.11884	1.6
289.13394	0.8
291.07700	3.7
291.11215	20.9
293.09302	2.5
293.12723	0.8
303.11554	0.6
305.12958	1.1
309.08731	28.7
309.12238	3.2
310.09296	1.3
310.17612	0.5
313.11792	2.1
315.11093	1.1
323.10306	4.2
323.13690	0.7
325.11914	3.3
332.11008	0.5
333.12387	2.1
341.11340	9.4
349.11307	0.6
361.11917	3.4
365.10535	0.8
365.14914	1.2
375.13144	0.6
379.12894	5.9
383.15930	0.7
391.15073	3.2
393.14481	11.0
411.15491	49.3
449.42917	0.5
541.18750	0.7
555.19537	1.0
573.20660	100.0
574.20892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3032
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05502	2.6
57.03437	4.9
57.06804	1.6
57.07075	25.8
62.59961	0.8
66.89327	0.8
67.05495	4.3
69.07060	3.5
69.42208	6.4
71.08253	1.3
71.08626	17.0
81.03439	3.9
81.07063	7.9
83.08630	5.1
85.10188	10.9
93.07046	1.4
95.08608	12.2
97.10158	3.0
98.20723	1.4
98.98464	28.1
109.02872	3.3
109.10175	4.1
109.51063	0.8
116.99507	1.0
123.11693	1.2
127.03942	1.0
155.01035	25.2
173.02094	1.5
182.15527	0.9
201.83766	0.8
239.23686	3.6
261.03488	1.3
313.27359	100.0
314.27643	0.9
317.06171	2.5
335.07312	2.0
393.23975	2.3
401.28891	3.4
537.28198	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	574.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33064	2.3
52.72583	2.2
55.05508	6.0
57.03426	5.3
57.07074	40.3
59.56866	2.1
67.05508	13.3
69.07058	7.9
70.03157	4.8
70.03545	4.1
71.08632	27.7
80.34335	2.2
81.07061	20.5
83.08613	12.3
85.10183	20.4
93.07059	2.7
95.08604	27.9
97.10163	4.7
109.02853	3.1
109.10166	13.1
123.11700	5.6
191.00119	2.8
239.23666	33.8
257.24704	6.5
313.27341	100.0
314.27859	3.8
331.28461	15.6
377.05975	2.5
574.35089	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	575.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
53.29863	1.0
55.01869	3.6
57.03441	5.0
60.75267	1.1
61.02926	8.5
65.03934	1.8
67.05508	5.6
69.03429	23.9
69.40652	1.0
69.42381	2.6
69.42806	5.7
71.01325	1.3
71.04989	3.0
73.02914	4.3
74.02446	1.7
77.03905	1.2
79.05490	9.1
81.03417	10.8
81.07059	1.1
83.01339	1.3
84.08151	0.9
85.02907	44.9
87.04463	4.0
91.03931	2.0
91.05477	3.4
93.07040	2.3
95.04966	16.8
97.02315	1.6
97.02897	18.4
99.04447	3.1
101.29117	1.0
103.03901	1.5
103.05473	4.9
105.03411	3.3
105.07012	1.5
106.06550	3.4
107.04954	6.8
109.02860	6.9
109.06502	3.0
115.03896	1.8
115.05444	2.1
117.05769	2.6
117.07011	3.3
117.52692	1.1
118.06541	16.9
121.06532	1.5
123.04429	8.1
124.03973	2.3
126.05513	1.1
127.03894	7.4
129.07001	4.4
130.06523	47.8
131.04919	2.9
132.08061	8.3
133.02904	2.5
135.04425	2.9
137.05974	3.7
139.03923	8.3
140.07047	1.5
142.06532	3.9
143.07295	4.8
144.08084	70.0
145.04951	3.7
145.06546	1.3
146.06015	54.8
147.04431	1.5
148.07605	1.7
149.06030	2.8
151.03912	7.4
154.06529	13.4
155.07320	5.5
156.08092	14.0
157.08868	1.3
158.06010	1.8
158.09654	25.2
159.04428	4.3
159.09105	1.1
160.07605	2.6
165.05481	62.4
167.07310	17.5
168.08089	59.5
169.07616	30.7
169.08885	3.0
170.06050	8.3
170.09637	4.5
171.09352	1.2
172.07613	2.5
172.37399	1.1
176.07118	3.8
177.05482	3.7
180.08080	23.1
181.08914	3.3
182.06053	4.0
182.08298	1.3
182.09668	22.0
183.06670	4.3
183.09149	2.2
184.07539	2.5
188.07066	84.5
189.05446	1.1
191.07117	5.4
192.08124	12.9
193.08885	3.8
194.06023	1.7
194.09668	9.3
195.06749	1.6
195.09180	1.6
196.07552	5.2
196.11218	1.4
197.08496	1.2
200.07068	14.7
202.08604	2.0
204.08122	8.9
205.08670	6.2
206.06047	1.2
206.09796	5.8
207.06891	1.3
208.07585	7.9
208.09654	2.5
208.11279	2.4
209.08255	3.8
210.09132	19.5
210.12627	1.2
211.06421	1.1
212.07143	1.3
212.10611	1.4
213.07896	3.3
214.08643	11.4
215.08185	13.6
217.09737	5.0
218.09663	6.6
219.10568	2.6
220.07573	17.3
220.11134	8.3
221.08455	7.2
222.05588	1.7
222.09117	8.3
223.06342	1.3
224.07043	5.8
225.07909	2.6
226.08600	2.7
226.10812	3.1
230.09785	5.6
231.11313	13.3
232.07526	3.3
232.11182	2.2
233.08392	2.3
234.09178	2.8
234.12805	4.3
235.08664	1.2
236.07120	3.5
236.10811	1.7
238.08626	30.4
239.09532	1.7
240.10243	2.5
241.09856	1.4
242.09877	1.1
243.10442	1.9
244.11214	10.7
246.09190	1.5
247.10127	2.4
247.12328	2.1
248.07047	17.9
248.10759	3.0
249.07884	2.1
250.08722	9.7
251.09436	1.3
252.10231	3.4
254.09850	5.8
256.11340	1.5
257.08432	2.5
258.09183	3.8
260.10965	1.3
262.08960	1.1
262.12280	5.9
263.08286	1.4
264.06540	1.6
264.10422	1.0
264.13895	1.7
265.09732	13.4
266.08051	6.4
267.08832	1.7
267.11481	1.6
270.11325	4.2
271.09863	2.3
272.10718	12.1
274.08505	1.4
274.12155	1.3
276.06650	1.7
276.10226	3.8
277.07452	1.5
280.09595	1.7
280.13251	1.9
282.09219	1.6
283.10220	1.5
286.08591	2.4
290.11798	10.1
293.09561	2.0
293.12875	10.4
294.07700	4.9
295.08371	6.8
300.10266	5.3
304.09915	1.7
306.11368	1.1
308.12814	9.9
311.10327	24.8
311.13947	3.5
317.12866	3.3
318.11279	9.1
322.14407	14.3
325.11890	4.6
326.10254	3.4
327.13785	2.2
328.09787	1.4
332.12439	1.4
335.13904	18.6
338.13846	3.3
340.15427	26.1
343.12878	42.6
345.12357	1.9
346.10684	5.3
353.14978	1.6
363.13403	12.4
364.11713	5.6
367.16733	2.3
377.14941	1.3
378.13364	16.1
381.14456	28.0
393.16595	1.9
395.16006	40.6
396.14401	61.5
413.17075	100.0
414.17542	1.4
557.21088	2.9
558.19678	29.2
575.22247	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	575.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01863	4.8
57.03415	6.0
61.02912	6.7
61.30239	1.4
62.92548	1.5
67.05492	5.1
69.03431	28.2
69.58679	2.7
69.59090	7.2
71.04972	2.8
73.02905	4.6
74.02468	1.6
79.05478	5.2
81.03415	12.6
83.01325	1.7
85.02910	34.3
87.04478	3.3
91.03956	3.2
91.05463	2.9
93.07033	1.7
94.04201	1.7
95.04976	12.0
97.02895	16.7
97.63373	1.6
103.03971	2.2
103.05502	4.0
105.06991	1.7
107.04922	5.0
109.02885	7.6
109.06518	3.5
117.05790	1.9
117.07026	2.2
118.06541	14.3
121.06476	4.2
123.04405	6.7
127.03922	6.7
129.07028	3.7
130.06528	45.2
131.04935	4.5
132.08060	6.1
133.02859	2.8
135.04376	3.7
137.05980	2.9
139.03932	10.4
142.06528	4.7
143.07263	8.7
144.08090	69.2
145.04947	3.1
146.06003	42.3
151.03912	5.4
154.06525	11.4
155.07272	5.3
156.08083	17.9
158.09642	22.8
159.04356	2.4
159.09126	1.8
165.05487	56.5
165.06886	3.5
167.07292	17.9
168.06671	2.9
168.08092	51.8
169.07600	28.9
169.08896	3.4
170.06027	9.4
170.09744	3.1
172.07535	2.1
176.07076	2.1
177.05472	2.5
180.08047	19.0
181.08864	2.9
182.05998	3.0
182.09683	21.4
183.09108	1.9
184.07521	2.2
188.07065	67.0
189.05574	2.2
191.07179	4.6
192.08125	12.7
193.08841	5.7
194.06023	2.0
194.09654	9.3
196.07520	4.5
200.07150	10.4
204.08081	7.2
205.08939	5.8
206.09554	4.5
207.10449	1.9
208.07631	8.2
208.09369	2.0
208.11331	2.2
209.08231	4.8
210.09126	18.4
213.07828	3.1
214.08592	8.4
215.08160	10.3
217.09445	5.8
218.09645	5.6
220.07626	14.9
220.11108	9.3
221.08528	9.1
221.10422	3.0
222.09167	7.4
224.07042	6.4
230.09686	4.0
231.11340	15.4
232.11203	3.3
233.08264	2.5
234.09161	2.7
234.12640	3.6
235.06325	2.1
236.07007	2.7
237.10172	2.2
238.08623	29.5
240.10199	2.7
244.11189	8.7
246.08975	2.9
246.12910	2.2
248.06985	13.0
250.08722	8.9
252.10129	3.4
254.09723	2.8
256.11142	2.0
259.09668	1.6
260.10751	1.7
262.12228	5.8
265.09738	11.1
266.08115	6.4
267.11194	2.1
270.11218	4.8
272.10721	10.3
276.10110	3.1
280.13361	4.0
282.09332	1.8
283.10556	2.0
290.11655	10.7
293.12811	8.8
294.07727	2.0
295.08313	5.5
300.10095	3.9
304.09491	2.7
308.12814	9.1
311.10257	22.3
317.12875	2.3
318.11240	5.7
322.14426	12.1
325.11810	2.8
326.10199	4.5
335.13806	16.2
338.13843	2.8
340.15433	23.0
343.12906	36.7
346.10742	4.5
363.13440	10.3
364.11722	5.7
367.16483	2.4
378.13339	17.2
381.14432	31.1
395.16003	42.4
396.14407	65.3
397.14578	2.1
413.17078	100.0
557.21570	2.1
558.19702	33.3
575.22351	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	575.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
54.10039	0.4
55.01872	1.7
55.05508	1.2
56.96565	0.8
57.03418	1.0
61.02916	1.3
65.03922	0.5
67.05515	2.7
69.03431	5.2
69.07048	0.7
70.06590	1.3
70.46820	1.5
71.01363	0.5
71.04982	1.1
72.08134	0.7
73.02909	1.2
79.05503	5.0
81.03418	4.8
81.07043	3.5
83.04967	0.9
84.04491	0.7
85.02906	8.5
86.09688	0.8
87.04432	0.9
89.67400	0.5
91.03922	0.4
91.05487	8.3
92.05026	0.6
93.07043	2.1
95.04975	5.7
95.08584	1.2
97.02885	3.3
97.06535	2.9
99.04433	0.8
103.05500	2.2
103.25570	0.4
104.04980	1.4
105.07030	5.8
107.04310	0.4
107.04958	2.5
107.08614	1.1
109.02897	4.1
109.06522	2.4
109.10154	1.0
115.03861	0.5
115.05468	1.8
117.07024	3.1
119.04951	1.3
119.08543	2.7
120.04469	2.3
121.06502	1.1
121.10127	0.8
123.04414	1.8
125.09597	0.5
127.03893	1.6
128.06206	4.4
129.04485	12.9
129.07001	2.4
130.02892	4.3
130.07787	1.0
131.04922	2.6
131.05939	0.7
131.08586	0.9
132.04482	2.7
133.06499	5.4
133.10132	1.2
135.04410	1.0
135.42960	0.5
136.07607	0.5
137.05960	1.9
139.03876	0.5
141.06953	0.5
143.08536	3.6
145.04926	0.9
145.06509	1.6
145.10127	0.9
146.05847	0.4
147.05531	100.0
149.09648	0.5
151.03868	0.8
152.06096	0.5
153.06978	1.6
155.06075	0.8
155.08549	1.0
157.06467	0.9
159.04266	1.1
159.05544	18.3
159.08037	0.6
160.06328	4.2
161.05992	2.3
161.07170	0.6
161.09590	2.8
163.03896	0.9
165.05495	2.6
167.07025	1.8
171.08058	4.7
173.02365	0.6
173.05986	1.4
173.09604	6.9
175.03918	0.6
175.07527	1.2
177.06628	19.6
181.06516	0.7
187.05029	25.6
189.05373	2.3
189.09114	3.6
192.05298	2.9
199.07498	5.2
202.07384	1.8
215.08244	6.8
217.08603	7.8
241.09714	2.1
255.11447	0.6
259.09650	1.2
285.12518	0.5
301.09653	0.5
311.10278	13.9
311.13516	0.7
317.09372	0.6
317.12897	1.4
319.14261	4.5
335.13901	1.6
343.12912	9.7
345.12372	4.7
353.15021	1.0
353.19910	0.7
355.15494	0.8
363.13385	30.0
381.14450	80.0
395.16006	26.6
413.17075	17.7
473.15619	0.6
497.24347	0.7
515.25226	1.2
525.18317	1.1
574.47260	0.8
575.23309	1.7
575.29657	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	576.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01854	1.1
56.05035	0.9
56.96571	1.2
57.03420	2.5
61.02928	4.4
61.11107	0.6
68.05019	0.9
69.03430	14.0
69.07067	0.6
70.06593	6.5
71.04997	1.6
71.07188	1.0
72.08145	2.1
73.02913	1.8
74.12556	0.6
78.04864	0.6
79.05489	2.1
79.24245	0.6
79.60883	0.7
81.03420	6.2
81.07070	1.1
82.06554	0.8
83.01342	0.6
84.04515	1.7
84.08138	2.0
85.02380	1.2
85.02905	23.0
86.06071	1.6
86.09730	3.1
87.04446	2.3
91.03941	1.7
91.05475	2.1
93.07049	1.5
94.06570	1.1
95.04977	3.1
96.08125	1.1
97.02889	9.8
98.06062	6.3
98.97598	2.0
100.07623	0.8
103.05470	1.9
105.07041	1.9
106.06562	1.8
107.04961	1.9
108.08134	1.2
109.02868	3.8
110.09673	2.4
111.06844	1.5
112.07600	1.8
115.05431	1.0
116.98618	1.6
117.06997	2.1
119.04927	0.9
120.08107	2.8
121.06528	0.9
121.08880	1.2
122.06038	1.0
122.09663	1.4
123.04426	1.2
124.07601	1.7
127.03927	4.2
128.98605	1.1
129.10226	1.3
130.05005	0.6
132.08095	1.4
133.02849	0.7
133.06474	2.1
134.09663	3.5
135.04428	1.4
135.08075	1.1
136.07574	11.8
137.06003	1.0
138.05533	2.0
138.09157	1.4
139.06360	0.7
140.07109	1.1
143.08548	0.8
145.04974	1.8
145.06508	2.5
145.45769	0.6
146.09612	1.4
146.99663	0.7
147.04379	2.1
148.07567	2.0
149.08385	1.0
150.05528	0.6
150.09142	11.2
151.03874	3.1
152.07065	1.4
156.08067	0.6
158.09689	1.3
158.99675	1.2
159.04395	0.9
159.08038	1.4
160.07591	4.3
160.11237	2.6
161.05989	1.2
162.09117	7.4
163.03900	1.2
164.07108	1.0
165.05490	8.8
165.06779	1.0
167.07091	0.7
168.06537	1.8
168.10219	0.8
170.09654	1.3
171.08020	0.9
172.11343	0.7
173.06018	1.9
174.09146	2.2
174.12790	1.2
175.03975	0.8
176.07112	1.2
176.10757	0.8
177.00723	1.1
177.04207	1.1
178.08636	13.5
179.07011	1.1
184.11198	1.5
185.06946	1.1
186.09218	1.8
186.12743	1.1
187.09924	1.1
188.07069	5.5
188.10713	14.9
190.08679	2.3
190.12289	1.6
191.07172	1.1
192.10153	0.9
193.08676	0.9
193.67041	0.6
196.09689	1.2
200.10732	0.8
202.08656	2.4
202.12277	7.2
204.10294	2.1
204.13786	1.1
206.08124	22.8
208.09810	1.0
209.74728	0.7
212.10699	5.6
214.08572	0.7
214.12213	0.9
218.08211	0.7
219.01730	1.2
220.09726	1.7
224.09215	2.9
226.12160	0.7
228.10320	0.9
228.13831	0.8
229.07500	0.9
230.08147	2.6
230.11775	12.0
232.13234	3.0
237.02861	2.3
238.10667	4.7
240.10205	3.6
242.10245	0.7
248.09158	1.3
254.11902	1.8
256.13364	2.4
258.11264	29.6
259.11673	0.9
262.14392	1.4
272.12875	2.6
274.10831	1.5
274.14462	0.7
276.12296	7.3
282.11099	0.8
290.13849	12.1
294.09479	1.2
300.12332	3.6
306.17038	1.0
308.11713	0.9
308.14905	26.6
312.10971	1.2
314.14154	1.1
318.13394	2.1
326.12042	0.8
328.11694	1.0
332.15143	1.0
344.13354	7.1
346.12994	2.9
352.17618	0.8
360.14450	1.3
363.09610	0.9
364.13947	3.9
376.72690	0.7
378.15396	5.7
382.15189	1.9
396.16516	19.0
414.08289	1.4
414.17615	13.6
417.44537	0.7
470.20264	13.4
500.41574	0.7
540.20831	1.3
558.21851	15.0
576.22931	100.0
577.22693	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	576.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01867	8.3
55.05519	21.5
56.96565	5.4
57.03431	21.8
59.05007	4.1
62.19637	2.6
67.05505	43.0
69.03421	8.1
69.07063	14.6
70.11094	8.3
71.05000	7.1
79.05495	30.1
81.03419	88.7
81.07062	39.4
83.04959	6.9
83.08630	25.5
85.02882	8.5
88.41392	3.1
91.05482	36.0
93.07050	28.6
95.04970	32.9
95.08633	18.0
97.02877	10.4
97.06519	15.9
97.10155	9.0
97.66614	3.0
99.00809	14.6
105.07023	28.1
107.04940	19.3
107.08570	16.1
108.23887	3.1
109.02867	10.4
109.06503	9.3
109.10147	13.7
111.04421	4.6
111.08064	9.4
115.55290	3.0
117.07012	7.1
119.08575	27.0
120.08092	3.3
120.25125	3.0
121.06469	12.4
121.10141	8.1
123.04388	5.3
123.08099	4.6
125.09576	4.2
127.03932	3.6
128.06134	3.3
129.06967	11.4
131.08563	14.5
133.06509	7.5
133.10126	46.4
135.08075	4.7
135.11757	3.5
137.09579	4.4
142.07777	5.4
143.08560	6.6
145.10127	7.9
147.08067	6.2
147.11678	11.0
149.09607	6.4
151.11168	8.3
157.10106	8.5
161.09630	17.2
163.03912	4.8
163.11182	5.0
171.08101	5.7
175.11266	10.1
179.10649	6.5
189.09067	8.0
189.11110	4.8
193.12260	26.6
197.11650	5.1
207.10071	3.4
209.11763	3.6
211.13132	4.2
217.53879	3.3
219.13829	3.6
225.11273	9.4
227.12776	5.7
229.07478	5.9
247.08521	6.4
267.15927	100.0
281.13812	9.1
283.15433	10.0
285.16867	3.5
299.14874	74.5
350.95560	2.9
381.20673	5.1
385.23697	3.7
391.53616	3.0
399.21497	3.9
403.12149	4.4
445.25821	6.3
459.27316	10.1
473.25327	19.5
477.28433	5.5
491.26343	73.8
509.27585	6.2
576.35608	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	576.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01876	1.0
55.05498	2.8
56.05028	2.1
57.07076	4.2
60.04528	2.2
65.03926	1.9
67.05509	9.7
68.05006	0.9
69.03422	2.1
69.07057	2.0
71.04997	2.2
71.08618	2.3
71.20277	1.8
71.20615	1.7
79.05503	9.2
80.05004	3.0
81.03401	1.5
81.05796	2.4
81.07056	12.3
82.06564	3.1
83.08627	1.8
85.02898	2.4
85.06542	1.4
87.04482	1.6
91.05463	4.1
93.07045	13.6
94.06569	25.9
95.04987	3.1
95.08602	18.9
96.08125	3.5
97.06547	2.8
97.10168	1.0
105.07052	8.9
107.07349	2.3
107.08540	1.1
109.10141	0.9
110.09687	6.4
110.72065	0.9
111.08073	5.3
117.06945	0.8
122.09673	43.9
123.07230	1.1
123.08071	14.5
128.09831	0.8
128.10713	17.2
140.10704	100.0
141.09085	3.9
149.02361	13.0
149.03453	1.1
158.11781	11.3
168.44530	0.9
193.04941	9.4
256.26437	6.9
351.31842	1.0
360.32266	0.9
366.33649	4.1
378.33618	18.2
396.34714	83.2
576.42554	5.4
577.13495	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	576.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	17.4
57.03432	14.4
57.07063	28.7
67.05492	24.5
69.07056	17.6
69.30788	53.8
71.08636	15.6
72.44100	5.5
78.80664	5.6
79.05497	16.0
81.03409	62.2
81.07033	20.2
83.08604	14.4
85.10164	12.5
91.05446	13.8
93.07034	11.5
95.04961	18.7
95.08595	18.6
96.08125	9.4
97.10195	14.1
98.09689	18.3
100.52038	5.8
105.07000	7.0
108.98226	7.1
109.10142	12.1
119.08530	10.8
122.06075	9.4
125.09647	7.5
126.07957	7.4
136.07541	11.4
140.07124	7.9
148.07579	9.8
193.12256	22.6
232.16986	7.1
250.17828	5.9
260.16415	21.6
267.15909	100.0
278.17499	16.9
289.87140	7.5
294.18649	7.0
296.18536	42.4
313.27368	86.1
316.31213	6.1
505.38983	72.1
558.41656	55.2
577.37134	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	576.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.0
57.03431	14.8
57.07064	39.1
63.96249	9.9
71.08623	36.1
73.68324	10.6
79.05466	18.9
81.03427	65.3
81.07048	17.0
83.08625	17.5
85.10173	23.1
95.04958	21.8
95.08609	22.2
97.10146	12.3
109.10139	12.3
119.08591	12.2
175.81375	10.4
193.12270	25.3
193.16986	10.6
216.62694	12.9
267.15814	88.5
281.02994	12.0
313.27420	100.0
505.38806	58.1
551.34406	12.4
577.36328	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	577.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49010	1.4
51.02402	1.6
53.03941	6.5
55.01862	5.7
55.05506	5.6
57.03443	3.5
59.05003	8.2
65.03932	2.9
67.05503	11.1
69.03436	10.5
69.07045	2.9
70.06585	2.2
71.04994	4.3
73.02926	2.2
77.03927	1.7
77.82837	1.6
79.01829	1.8
79.05494	41.4
81.03424	21.7
81.07086	10.5
83.01331	3.3
83.04977	6.9
83.10820	1.8
85.02906	11.6
91.05476	26.2
91.28918	1.4
93.07048	23.4
95.01328	4.8
95.04974	15.4
95.08599	10.3
97.02881	6.7
97.06545	2.0
99.04456	2.1
100.59722	1.7
103.05465	14.5
105.03395	2.2
105.04499	2.6
105.07030	29.4
107.04957	53.1
107.08590	25.4
108.05714	1.7
109.02868	19.5
109.06528	10.6
109.10150	7.0
110.07153	4.8
111.04452	10.6
111.08059	2.0
115.03941	3.6
115.05517	2.1
117.07031	3.6
119.04996	1.8
119.08597	18.8
121.06500	18.0
121.10149	2.3
122.07272	2.2
123.00751	1.8
123.04398	2.1
123.08075	38.9
125.05967	2.3
125.09604	2.0
127.03917	15.4
127.48213	1.7
131.04936	12.8
131.08533	2.2
133.06514	3.9
133.10126	4.6
135.04402	16.4
135.08060	15.5
135.11707	8.2
137.06000	4.3
137.09624	45.1
139.03906	63.3
139.07573	1.9
141.05467	3.4
145.04924	2.9
145.10075	1.9
147.07996	3.3
147.11703	9.6
149.05974	17.7
149.09651	4.1
151.03888	2.6
151.07564	3.4
153.05464	35.2
153.09131	10.7
156.09332	3.4
159.04425	11.2
161.13298	8.2
163.07553	6.3
163.11176	1.9
165.05481	19.0
167.07043	56.1
173.04521	2.0
177.05478	30.6
177.12788	1.9
179.07024	3.0
189.05338	2.6
189.12758	12.8
191.07040	11.7
195.06534	46.1
207.13820	5.0
209.08093	100.0
227.09100	3.0
321.09665	13.7
339.10809	20.1
353.12427	5.9
371.13272	5.6
482.06308	1.6
577.22522	7.9
583.65399	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	578.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.4
55.05281	1.2
55.05516	16.5
56.96587	1.2
57.03439	11.2
59.04994	2.5
61.02922	2.8
65.03937	1.3
67.05508	13.0
69.03433	6.0
69.07072	7.6
70.06604	6.6
70.06917	1.2
70.29270	1.2
70.42021	1.4
71.01358	1.7
71.04984	4.4
71.49457	1.6
71.49833	1.3
72.08147	4.6
72.94408	1.0
73.02894	2.0
74.06085	2.0
74.09712	1.9
76.08813	0.9
79.05499	18.9
81.03426	10.7
81.07063	21.9
83.01330	5.8
83.04985	14.1
83.08625	11.8
84.04495	2.1
84.08146	5.0
85.02910	11.3
85.06551	2.9
86.09715	5.5
91.03933	2.2
91.05476	10.2
93.06498	1.9
93.07053	23.1
95.04967	8.9
95.08603	9.8
97.02895	6.4
97.06530	13.4
97.10169	5.7
99.04453	3.4
99.08115	2.0
100.11275	2.2
103.05451	1.6
105.07056	8.9
107.04961	11.5
107.08592	15.7
109.02868	4.4
109.06541	7.3
109.10180	7.4
111.04446	10.0
111.08076	3.6
115.05517	2.0
117.07023	7.6
119.08599	16.0
120.08091	2.8
121.06501	4.6
121.10159	9.2
123.04372	1.1
123.08064	8.5
125.06009	2.4
125.09650	5.2
127.03884	1.7
129.05585	1.1
129.06990	3.2
129.10249	2.4
131.04904	1.3
131.08594	5.9
133.06456	1.8
133.10104	4.5
135.08087	6.4
135.11687	17.4
136.07596	2.1
137.05978	1.8
137.09627	3.0
139.03857	1.1
143.08546	2.2
145.06476	3.2
145.10136	19.2
147.04427	1.3
147.08070	3.3
147.11670	3.1
149.06009	1.6
149.09633	2.7
151.11154	1.5
153.09122	1.5
153.12758	9.0
155.08537	2.6
157.10109	2.3
159.08049	7.8
161.09634	1.2
163.07489	2.5
163.09886	2.1
163.11191	29.0
165.05429	1.4
165.09090	1.3
167.06961	3.8
171.11623	1.5
173.09599	5.9
177.05484	2.7
181.04979	1.1
181.12227	9.9
183.07983	1.4
187.11172	1.3
187.61041	1.1
189.11180	3.1
191.10684	7.0
201.16458	1.5
209.08026	2.0
209.11740	14.1
219.17406	4.0
227.12781	17.5
237.18520	1.3
243.17392	1.4
259.09625	1.7
261.18607	2.5
267.15982	3.7
271.16916	4.7
283.15414	100.0
284.16034	1.9
289.18030	12.8
301.16461	3.0
307.18927	9.9
363.21686	10.4
381.22745	79.2
579.20502	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	579.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
51.81719	0.7
53.03951	6.4
55.01857	2.4
55.05507	2.6
57.03432	0.9
59.04982	1.6
61.02920	0.8
61.81570	0.7
65.03928	1.6
67.05504	10.3
68.02647	1.1
68.99753	0.9
69.03431	5.0
69.07063	1.1
71.01344	2.1
71.04964	0.9
71.49745	1.1
71.50098	1.0
77.03927	2.4
79.05492	46.9
81.03421	19.7
81.07057	4.4
83.01348	2.4
83.04977	2.8
85.02891	2.3
87.04472	0.9
91.05475	11.8
93.07037	12.2
94.04198	1.3
95.01336	4.2
95.04968	12.3
95.08611	4.9
95.52737	0.7
97.02882	2.2
97.06521	5.6
99.04453	1.3
103.05463	12.6
105.03391	1.9
105.04482	1.8
105.07032	4.6
107.04957	81.2
107.08577	1.2
109.02885	14.3
109.06496	4.1
109.10116	0.8
111.04454	6.8
111.08055	1.8
115.03938	2.3
119.04932	2.0
121.06497	13.6
122.03663	0.8
123.00769	1.8
123.04418	2.0
123.08076	0.8
125.06012	1.1
127.03908	6.8
131.04927	9.4
133.02837	2.1
133.06471	1.3
133.10173	1.0
135.04427	13.6
137.05984	3.8
139.03905	35.4
139.07587	3.7
141.05473	8.7
141.43584	0.9
145.06407	1.0
147.04417	1.9
149.05978	17.9
151.03882	3.2
153.05461	10.7
159.04420	6.1
163.07518	2.6
165.04054	1.8
165.05478	67.5
167.07039	100.0
173.05995	0.9
173.43552	0.8
177.05466	22.1
181.05008	1.2
181.08646	2.9
187.07578	0.8
191.07034	6.1
195.06538	13.6
207.06367	0.8
209.08089	44.8
215.07088	1.5
227.09125	0.9
257.75024	0.8
311.12442	1.0
321.09622	2.6
339.10889	3.1
353.12497	1.5
355.15225	1.2
367.18069	1.4
369.17111	0.9
547.19543	1.5
579.21149	5.2
579.30066	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	579.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17214	0.3
53.03928	0.7
55.01855	0.5
55.05482	0.4
57.03415	0.9
61.02914	0.5
65.03926	1.4
65.55900	0.3
67.05489	0.7
69.03429	2.3
69.07038	0.6
70.06567	1.3
71.49415	0.5
72.08131	1.2
73.02908	0.5
78.04709	1.7
79.05463	1.2
81.03413	1.1
84.08122	0.9
85.02896	3.0
86.09686	1.3
91.05457	1.2
95.04949	1.1
95.08581	0.4
97.02873	1.0
97.06506	1.1
103.05462	1.3
103.99088	0.3
105.07049	0.5
106.04137	0.9
107.04942	1.9
107.08559	0.4
109.02855	0.9
111.04432	0.7
115.05463	3.0
117.06155	0.4
117.07020	6.8
119.04919	0.5
120.08068	0.6
121.10167	0.5
122.03659	0.4
123.04430	5.4
124.05236	2.3
125.05965	0.5
127.03869	0.4
127.05429	0.8
127.21558	0.3
133.06433	0.7
133.10110	1.5
137.05978	1.3
137.09612	0.5
142.02612	0.6
143.04848	0.5
145.06483	10.2
147.08060	0.6
151.03932	1.3
152.04665	1.3
153.01750	0.5
153.05356	0.5
155.06032	3.2
157.66629	0.3
161.05984	0.8
167.07033	100.0
168.07378	0.8
171.06516	1.1
171.07918	0.4
173.05978	19.6
175.07520	0.7
177.05472	0.5
181.04947	22.0
185.62553	0.4
187.07671	0.4
191.07019	0.7
201.05414	0.4
205.08600	3.9
207.10254	0.4
233.08067	5.3
235.09615	4.1
268.16733	0.4
271.05991	7.6
305.33557	0.4
317.01959	0.4
358.56400	0.4
387.14346	16.8
417.15414	11.2
428.75989	0.4
500.80713	0.4
579.20691	46.5
580.20911	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	579.207
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03935	0.4
54.14577	0.2
55.01848	0.5
57.03434	0.2
61.02911	0.4
65.03941	1.1
66.04732	0.2
67.05479	0.6
69.03425	1.7
70.06572	0.3
70.10084	0.6
71.04948	0.2
72.99075	0.2
73.02891	0.4
74.01572	0.2
77.03922	0.2
78.04363	0.2
78.04713	1.8
78.74941	0.2
79.05499	1.6
81.03410	0.9
81.07034	0.2
82.04202	0.5
84.08162	0.2
84.61375	0.2
85.02902	2.3
91.05486	1.3
93.03402	0.4
95.04965	1.2
96.05724	0.2
97.02871	0.8
97.06516	0.4
99.04439	0.2
102.89138	0.2
103.05485	1.3
105.03385	0.2
105.07017	0.2
106.04165	1.1
107.04960	2.3
108.02070	0.3
109.02869	0.6
109.06472	0.2
110.03634	0.5
111.04405	0.5
111.08067	0.2
115.05456	3.4
117.07026	5.6
119.08592	0.3
121.06516	0.4
122.03645	0.4
123.04436	5.1
124.05221	2.2
124.83089	0.2
125.05965	0.5
127.03905	0.4
127.05428	0.7
130.04132	0.2
131.04924	0.6
133.06508	0.2
134.03613	0.3
135.04454	0.2
137.05977	0.4
138.03117	0.2
139.03871	0.7
142.02608	0.4
143.04913	0.3
144.05685	0.2
145.06491	9.4
147.08026	0.4
149.05954	0.3
151.03867	0.8
152.04681	1.6
153.05458	0.3
155.04904	0.3
155.06052	2.8
159.04463	0.2
161.05974	0.4
164.19258	0.2
165.05460	0.8
167.07039	100.0
168.07346	0.5
171.06546	1.2
173.05991	19.3
174.06354	0.2
175.07571	0.5
177.05484	0.5
181.04956	22.3
189.05402	0.2
190.06277	0.3
191.07140	0.3
195.06551	0.2
196.28256	0.2
201.05437	0.8
202.00169	0.2
203.07143	0.2
205.08606	3.8
207.08340	0.2
207.10258	0.4
209.08139	0.8
218.06081	0.2
221.07994	0.3
233.08080	5.6
235.07639	0.2
235.09663	4.8
235.11905	0.4
280.07263	0.2
297.11020	0.2
355.11630	0.3
387.14380	18.3
417.15448	12.6
513.71753	0.2
579.20734	52.6
580.21082	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	579.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.7
51.02374	1.1
52.74854	0.5
53.03941	5.5
55.01868	2.3
55.05503	1.7
57.03424	0.8
59.01384	0.8
59.04988	0.9
60.34236	0.5
65.00442	0.5
65.03924	1.2
67.05505	7.5
69.03436	4.3
69.22588	4.5
70.06596	1.0
71.01345	1.9
71.05006	1.1
73.02908	0.8
77.03943	1.8
78.04695	0.9
79.01868	0.9
79.05494	39.9
81.03420	16.4
81.07060	3.3
83.01324	1.5
83.04988	2.1
85.02908	2.6
86.09700	0.9
91.05486	11.2
91.36845	0.5
93.07043	9.2
94.04206	0.6
95.01336	2.1
95.04973	12.1
95.08617	3.7
97.02892	2.9
97.06524	1.1
97.47775	0.5
98.20726	1.2
99.04443	0.7
101.02397	0.7
103.03980	0.9
103.05468	14.4
103.97989	0.5
105.03391	2.0
105.04476	2.6
105.07040	3.5
106.21493	0.5
107.04958	67.1
109.02152	0.9
109.02883	15.7
109.06486	3.1
111.04454	4.5
111.08066	1.4
113.02381	0.6
113.05948	0.5
115.03930	1.7
115.05423	1.3
117.07026	2.1
119.04933	1.3
119.90568	0.6
121.06512	12.9
123.00768	1.8
123.04430	2.4
123.08039	0.6
125.02328	1.3
125.05944	1.0
127.03925	4.9
131.04938	7.3
133.02866	2.1
135.04410	10.6
135.08014	0.8
137.05980	3.8
139.03909	34.4
139.07521	4.0
141.01753	0.8
141.05457	6.5
145.06490	2.2
147.04433	2.6
149.05978	14.9
151.03905	4.0
153.04333	1.0
153.05476	8.9
153.09184	0.5
155.03413	0.7
159.04417	6.7
161.05956	0.7
163.07533	2.0
165.05479	60.3
166.05798	0.6
167.07037	100.0
173.05989	3.9
173.13210	0.7
175.03900	0.9
177.05487	19.9
179.07043	0.6
181.04941	6.3
181.08553	2.7
183.06537	0.6
189.05472	0.8
191.07037	10.2
191.14290	2.1
195.06523	9.3
205.08508	0.8
209.08089	39.1
209.15305	0.7
227.09120	1.4
233.07959	1.0
264.23135	1.0
265.09299	0.6
282.24246	2.2
300.25385	1.1
303.08649	0.6
321.09555	3.3
339.10806	2.2
353.12350	0.9
371.12357	1.0
377.31076	0.7
387.14441	3.8
399.14313	0.6
417.15515	3.3
417.33197	2.4
571.12018	0.6
579.20874	14.4
579.37939	2.9
580.21692	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	579.255
Annotation	Netupitant
Peak:m/z	Relative Intensity
52.13700	0.3
56.96531	0.7
57.03373	0.3
61.02867	0.5
63.71031	0.4
67.05444	0.4
69.03366	1.4
70.06548	0.7
71.04939	0.4
71.49243	0.5
71.52393	0.3
73.02885	0.5
80.04958	1.1
81.03393	0.7
81.07038	0.6
84.04462	0.4
84.08083	0.5
85.02892	3.3
88.12990	0.3
89.03833	0.4
91.05417	0.4
95.04929	0.7
97.02837	1.2
97.06486	0.4
98.97520	1.3
100.07579	0.9
105.06931	0.6
106.06530	0.7
107.04888	1.0
108.08093	0.8
109.06489	0.5
110.09612	0.4
116.98572	1.0
119.08562	0.5
120.08100	3.7
121.06419	0.3
121.08837	1.1
122.09664	0.6
123.04449	0.5
127.03876	0.8
128.98509	0.6
129.10179	0.5
132.08063	0.8
133.08791	0.4
134.09682	1.8
135.04379	0.9
135.07985	0.4
138.09100	0.7
145.02708	0.5
145.04944	0.6
146.09634	0.7
147.04456	0.4
147.10397	1.1
148.07588	0.5
151.03850	1.0
152.07091	0.7
160.09953	0.4
160.11223	6.5
161.11940	0.4
162.12788	3.5
163.03903	4.2
164.04225	0.5
164.07051	0.4
165.05389	0.5
167.07072	0.4
174.05420	0.4
175.03647	0.8
177.00645	0.4
178.12273	2.3
179.07063	0.4
184.09694	5.5
188.10600	0.4
195.06612	0.4
206.11801	0.7
210.11258	1.9
222.11226	0.5
224.12808	100.0
237.02867	0.8
260.80536	0.3
297.08377	0.4
302.15109	0.4
311.04169	0.4
347.16013	8.2
399.14633	0.7
399.19165	0.5
417.15155	0.7
417.20270	9.8
579.25824	54.1
580.26544	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	579.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45642	2.0
53.03930	2.9
53.65305	1.8
54.65281	1.6
55.01860	3.3
55.05514	13.3
57.03426	8.0
57.07070	5.2
65.03938	2.8
67.05505	74.8
69.03428	5.1
69.07060	14.4
70.10300	5.9
71.05002	3.5
73.02894	2.8
79.05492	40.8
81.03415	7.6
81.07053	89.2
83.04980	3.6
83.08617	10.7
85.02901	4.4
85.06551	2.2
91.05473	18.4
93.07043	48.1
95.04967	7.8
95.08607	65.7
97.06519	3.9
97.10152	4.8
98.98477	29.1
99.04446	4.0
99.08074	2.4
102.73888	1.9
105.07028	20.5
107.08594	35.9
109.02869	8.3
109.06519	3.8
109.10159	32.6
110.03648	2.6
111.04415	4.0
117.07021	9.3
119.08577	19.0
121.10146	31.6
123.07975	2.1
123.11708	18.0
126.09109	1.8
127.03885	4.0
127.09478	1.7
129.07028	2.2
131.08569	20.5
132.99634	1.9
133.10133	19.1
135.08080	2.5
135.11700	25.8
137.13260	10.2
139.11226	2.5
143.08614	2.4
145.10126	16.2
147.11674	11.3
149.13277	13.8
151.14915	1.8
155.01027	30.6
157.10168	2.6
159.11676	15.9
161.13222	10.5
163.14812	9.0
165.16483	1.9
171.11665	2.4
173.13223	14.6
175.14845	5.7
177.16382	4.8
179.14366	2.4
187.14825	8.7
191.00108	2.5
201.16412	3.8
219.91718	1.9
233.22595	2.8
243.18767	3.4
243.21072	26.9
245.22696	4.1
261.22128	100.0
263.23721	10.3
279.23224	6.3
317.06204	3.3
335.25812	19.0
337.27341	19.0
351.23105	2.2
353.22476	4.0
353.26871	78.5
369.24423	3.1
451.21652	2.3
548.75299	2.1
561.26849	5.1
579.37714	4.8
583.14819	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	579.3867
Annotation	FD 891
Peak:m/z	Relative Intensity
55.05511	2.0
59.33163	0.9
61.26229	0.8
66.06969	1.1
67.05490	1.6
69.07078	2.3
70.08382	4.1
70.89692	0.8
81.07060	1.7
83.08614	1.8
93.07059	1.8
95.08630	1.2
97.10156	1.1
121.10126	1.5
127.01081	0.8
143.57805	0.9
145.39566	1.0
184.36101	0.9
251.12643	3.2
269.13632	8.1
276.42328	1.0
311.25598	1.5
325.16211	2.5
355.73526	1.0
364.70737	1.0
547.39771	1.0
561.37366	6.6
579.38647	100.0
580.39130	2.1
595.50482	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	580.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.0
55.01872	10.2
55.05501	10.0
57.03431	16.8
57.07079	7.6
59.05008	4.0
61.02908	9.1
62.29031	4.0
67.05499	15.6
69.03103	4.2
69.03434	49.3
69.07066	11.2
69.54733	20.5
69.55149	10.2
70.06593	10.2
71.01348	7.3
71.04970	6.1
72.08156	52.7
73.02917	42.9
77.50880	3.7
77.51318	4.0
79.05496	19.5
81.03404	10.9
81.07053	53.3
84.08123	6.1
85.02908	100.0
86.09697	32.4
87.04462	6.5
91.04932	4.1
91.05463	24.8
93.07047	51.1
95.04959	17.0
95.08611	56.1
97.02316	7.0
97.02898	79.2
98.97595	4.4
99.04436	10.3
101.02317	4.5
105.07049	34.2
107.08602	28.8
109.02911	8.1
109.06517	5.9
109.10162	9.3
110.78427	4.2
111.08064	11.4
115.03941	38.6
117.07037	14.2
119.08601	27.4
120.08102	12.5
121.06509	5.7
121.10150	81.5
123.08018	5.1
123.11701	23.4
124.08406	4.3
127.03916	41.2
127.95509	3.8
131.08565	21.7
133.04971	54.8
133.10144	30.0
135.08055	10.5
137.09624	9.0
137.13280	40.5
139.07529	6.5
145.04956	64.1
145.10168	24.5
147.11668	9.8
149.01149	5.9
149.13237	4.6
155.08633	4.2
157.10162	10.1
159.07979	6.8
159.11697	27.7
160.38344	3.9
161.09587	5.0
163.06029	34.9
167.07021	32.3
168.07341	11.5
173.09529	6.7
173.12904	14.9
175.14812	13.7
177.09019	5.4
181.04939	7.5
187.07518	4.3
187.14850	23.4
191.14494	5.0
197.13249	6.5
201.12418	10.6
205.15881	6.3
213.29001	5.0
215.10309	13.3
215.14435	22.8
217.07083	8.9
223.05989	7.4
233.15361	77.0
236.01791	4.7
241.07098	17.4
251.08678	6.2
251.16463	11.2
259.08167	23.5
279.17126	5.9
284.12332	7.8
295.10226	16.2
302.13458	15.1
332.11212	17.7
369.21347	10.4
418.15601	6.5
472.24744	4.4
482.23920	4.7
580.21033	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	580.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01872	3.2
55.05514	9.7
56.05006	1.8
57.03424	5.2
59.73823	1.7
61.02911	2.2
65.03944	2.6
67.05505	25.9
69.03439	12.3
69.07079	10.4
70.06582	5.3
70.68786	1.4
71.04972	2.9
71.49146	1.4
71.49602	2.4
71.63680	1.4
72.08144	4.7
73.02889	1.8
74.06081	1.4
77.09297	1.4
79.05497	19.5
81.03407	7.1
81.07059	53.4
83.04980	2.5
83.08630	3.6
84.08128	5.4
85.02911	42.7
85.06529	2.1
86.09701	5.9
87.04469	1.9
91.05486	23.2
93.07051	39.1
95.04958	6.6
95.08614	68.4
97.02902	12.0
97.06535	15.2
98.06891	2.0
99.04444	4.1
103.05450	3.5
105.07040	53.8
106.07420	2.0
107.04964	3.0
107.08597	55.0
109.02868	6.4
109.06519	3.5
109.10171	47.6
111.04507	2.9
111.07980	1.6
117.07028	4.1
119.08586	42.4
120.08070	3.4
121.10144	23.0
123.04351	1.6
123.11713	10.8
127.03915	11.3
129.10202	1.7
133.10139	25.1
135.11678	11.8
137.05980	2.5
139.03976	2.2
145.04962	13.3
145.10120	6.2
147.11687	45.5
149.13231	2.2
157.10143	2.0
161.13260	16.9
163.03886	1.8
163.06023	5.5
163.14856	10.8
165.09077	1.8
165.18216	1.6
167.07031	6.7
169.10040	1.9
171.11655	2.0
173.13152	1.9
175.14793	10.0
181.04861	2.2
201.16260	2.4
203.17972	100.0
213.16228	1.7
221.19057	5.7
225.55775	1.8
229.08548	2.5
251.16304	2.2
259.09683	2.2
287.12701	1.8
314.03821	1.8
347.22321	2.9
353.13831	2.8
365.23331	3.8
371.14941	2.8
400.10803	2.3
580.23407	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	580.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	21.5
56.74846	4.8
57.03432	17.3
57.07077	7.3
67.05505	59.0
69.07049	24.2
69.57639	33.3
71.04994	6.4
71.08612	7.1
71.55234	4.3
71.88058	4.3
76.34518	4.4
79.05494	39.7
81.07056	64.6
83.04971	6.0
83.08610	19.6
88.31207	4.3
91.05482	18.5
93.07036	56.1
94.85499	4.7
95.04985	11.6
95.08613	63.8
97.06504	9.5
97.10125	5.5
105.07030	22.0
106.21198	4.2
107.04966	6.8
107.08598	36.0
109.06502	5.5
109.10150	22.7
117.07003	14.6
119.08581	20.1
121.10142	18.5
131.08524	6.3
131.90508	4.0
133.10141	12.1
135.11678	42.1
145.10114	28.4
151.39688	5.3
163.11159	49.6
181.12254	11.4
194.38489	4.5
200.76483	4.5
227.12778	88.4
263.23938	5.5
267.16150	4.9
272.63818	5.3
283.15393	92.0
337.27335	100.0
438.34967	5.1
515.50885	5.7
515.66882	4.9
530.39008	15.4
545.38397	81.7
548.40057	10.5
580.38495	21.2
581.40247	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	581.1501
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01850	0.4
57.03432	4.7
57.55748	0.3
58.11459	0.4
61.02929	3.4
62.93822	0.3
64.87292	0.3
65.03927	0.4
68.99787	0.8
69.03430	3.9
70.06581	0.7
70.85653	1.1
73.02518	0.6
73.02914	8.4
81.03393	0.4
84.08123	0.3
85.02908	5.8
86.09691	0.4
87.04438	0.4
91.03976	1.8
91.05473	0.4
97.02893	4.8
103.05335	0.4
105.03337	0.7
107.04954	1.2
109.02859	0.4
111.00782	1.0
115.03938	2.7
119.08568	0.4
121.02862	4.0
127.03903	1.1
133.04967	0.5
135.04475	0.4
137.02350	0.7
145.04942	1.4
147.04424	0.8
150.42264	0.4
153.01822	4.3
163.06033	0.6
165.01805	1.9
165.05496	0.6
167.07030	1.1
168.07378	0.4
183.02873	0.7
185.06039	0.5
186.10649	0.3
197.68019	0.4
203.06898	0.4
213.05440	1.1
225.10280	0.4
231.06412	0.5
239.11861	0.4
241.05013	0.7
241.07187	0.6
258.05295	1.0
267.11224	0.5
283.05795	0.6
287.05490	100.0
288.05798	1.5
297.07712	0.3
299.05478	4.4
300.06180	0.8
311.05508	1.0
313.11874	1.3
325.07053	1.8
329.06561	5.0
339.08792	0.6
341.11234	0.5
342.12021	0.5
353.06516	2.8
365.06714	0.5
373.14044	1.7
383.07797	1.6
395.07635	0.7
413.08426	0.8
431.09717	1.3
449.10825	3.5
462.87125	0.4
549.17065	1.2
581.21021	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	581.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05481	0.6
58.13235	0.4
61.60786	0.4
69.03423	1.1
70.06593	4.2
71.16158	0.7
73.02917	4.1
78.83316	0.4
79.05477	1.1
81.03391	1.0
81.07040	1.0
82.06553	1.7
84.08129	1.6
85.02890	1.9
86.09708	0.5
91.05452	0.5
93.07024	0.5
96.08105	1.7
97.02863	0.9
98.09673	1.8
98.97533	0.6
100.07616	20.3
106.06574	0.5
107.04964	0.6
107.12067	0.4
108.08145	0.5
110.09689	8.8
116.98625	0.5
120.08121	0.8
122.09623	0.9
124.07565	1.6
125.06017	0.6
126.09172	0.8
127.03905	0.8
134.09641	0.8
136.07501	0.6
142.08643	1.4
147.06766	0.7
148.07556	0.9
149.08354	3.6
150.09113	1.3
152.07155	0.7
154.08675	0.5
160.09714	1.2
160.11115	0.7
162.09142	5.7
162.12721	0.7
163.03888	0.8
164.10716	1.0
172.11185	0.5
174.09149	7.6
175.06258	1.5
176.07063	0.8
176.10736	1.3
177.07904	1.1
178.08635	30.9
186.09158	0.5
186.12701	0.8
186.14362	0.5
188.07062	2.0
188.10657	1.2
190.08629	100.0
192.10172	2.8
194.39641	0.5
200.10805	1.0
202.08574	0.6
202.12184	0.6
204.10194	3.2
206.08127	4.9
212.10695	1.1
214.12283	3.2
215.12010	0.5
216.10187	0.6
217.17023	0.6
218.11752	3.5
219.01781	0.6
222.11214	0.9
224.10770	0.8
226.12309	0.9
228.10309	0.6
230.11760	2.0
232.09628	1.7
237.02777	0.8
242.11780	5.2
242.15279	1.0
244.13393	0.8
248.12617	0.6
250.10727	8.8
258.14752	0.6
259.18082	3.6
260.12793	4.7
269.16489	2.1
270.14951	0.8
277.19202	1.9
284.12790	0.6
287.05453	1.8
287.17545	6.8
289.19098	0.7
302.13718	2.3
305.18591	39.9
313.15424	1.0
320.14880	1.9
331.16647	2.7
339.20789	1.5
349.17569	18.6
357.21701	3.8
375.22495	0.6
383.19727	0.6
401.20679	7.7
419.21887	7.4
422.17905	1.3
482.19934	1.2
519.26837	0.8
537.28131	3.7
581.27051	74.2
582.27411	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	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01868	4.0
55.05499	12.3
57.07069	6.9
62.87022	2.8
65.03925	4.4
67.05505	25.7
69.03419	7.9
69.07080	17.2
69.19692	24.8
69.20100	4.4
71.04961	3.0
77.03896	3.0
79.05504	27.8
81.07069	30.8
83.04970	6.5
83.08608	8.1
87.05405	2.9
91.05473	36.1
93.07038	47.3
95.04965	20.7
95.08607	28.3
97.06509	11.1
97.10162	4.2
101.61566	3.2
105.07033	58.2
107.04933	5.2
107.08012	3.7
107.08607	39.4
109.06509	9.8
109.10158	27.6
117.07001	17.2
119.04971	2.7
119.08585	58.0
121.06491	10.9
121.10147	59.2
123.08038	21.2
123.11676	8.1
125.09557	4.7
128.06210	6.6
129.06998	10.1
131.08522	24.1
133.06502	3.8
133.10126	80.4
135.08081	15.9
135.11702	15.9
137.09575	6.5
141.06926	5.2
142.07764	16.3
143.08574	24.6
144.09322	5.2
145.10121	39.1
147.08023	16.1
147.11679	15.0
149.09615	19.0
151.07535	14.1
153.06969	3.2
155.08530	11.6
156.09348	13.3
157.10138	34.0
158.10844	7.1
159.08038	10.3
159.11674	24.6
161.09567	10.5
161.13223	7.4
165.06955	4.6
165.09087	12.6
167.08540	9.5
167.10680	48.0
168.09286	3.3
169.10104	18.9
170.10815	4.6
171.08099	3.4
171.11691	22.2
173.09526	8.2
173.13242	34.1
174.10202	3.0
175.11130	7.1
175.14807	11.4
179.08554	7.5
180.09233	4.3
181.10103	9.3
181.12106	3.9
182.10881	6.4
182.22025	3.0
183.11693	16.3
184.12462	3.4
185.09569	6.1
185.13243	9.4
187.11169	6.3
187.14784	11.5
189.12752	6.4
191.14270	5.1
193.10120	6.5
194.10822	3.3
195.11649	12.7
196.12482	4.4
197.13222	12.5
199.14786	12.7
201.12634	3.7
203.14371	8.2
205.10065	3.5
206.10846	6.0
207.11609	14.2
207.13608	6.6
208.12379	3.4
209.13312	13.5
211.11230	4.5
211.14818	13.7
213.12592	3.6
215.14311	10.3
219.11739	6.7
221.13173	13.1
221.15324	31.3
223.14755	9.9
225.16248	3.4
227.17857	3.7
229.09973	4.3
231.11641	3.2
233.13286	6.8
233.15291	22.8
234.14043	3.9
235.14793	11.1
237.16322	5.6
239.14400	3.5
239.17989	4.7
245.13286	4.8
246.13983	3.9
247.14764	5.1
247.17017	3.5
251.14172	4.6
251.17905	5.6
253.15813	3.0
257.19092	3.5
261.16446	4.5
263.17923	4.4
269.18887	3.9
273.18582	6.8
277.19629	3.4
312.20627	7.1
333.21939	5.7
338.20636	3.3
359.23621	5.7
361.25040	3.8
373.25018	3.7
407.29315	5.2
459.28690	4.2
489.33597	3.3
512.99384	2.9
525.33423	5.8
553.39600	5.8
563.39099	13.5
581.39923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
54.96796	1.9
55.01851	2.6
55.05511	11.7
57.07070	6.8
65.03926	2.3
67.05499	15.8
68.04579	2.2
69.03414	5.9
69.07068	17.6
70.47904	4.4
70.48235	3.8
71.04980	3.0
79.05491	23.3
81.03416	2.4
81.06615	2.3
81.07060	28.1
83.04965	5.7
83.08613	8.5
85.06546	4.5
91.05476	31.8
93.07043	41.6
95.04962	13.7
95.08598	24.5
97.06514	5.7
103.05437	2.8
105.07037	43.3
107.04921	2.6
107.08597	34.8
108.93702	2.3
108.96352	2.5
109.06512	10.2
109.10153	20.0
115.05424	2.7
117.07019	11.1
119.08571	40.1
121.06507	9.0
121.10146	55.4
123.08077	16.7
123.11707	9.1
125.09601	2.4
128.06233	6.6
129.07010	10.0
130.07808	4.0
131.08572	24.7
133.06499	3.2
133.10127	60.0
134.10480	2.5
135.08057	8.9
135.11661	15.4
137.09624	7.4
141.07007	3.9
142.07803	11.0
143.08589	17.0
144.09341	3.5
145.10124	38.2
147.08047	9.9
147.11647	10.6
149.09628	22.1
151.07558	9.6
151.11148	2.5
155.08537	9.5
156.09351	12.6
157.10121	30.5
158.10922	6.7
159.08066	9.0
159.11708	16.5
160.21049	2.3
161.09624	8.1
161.13264	6.7
163.11214	6.1
165.07062	4.0
165.09122	17.5
167.08545	5.4
167.10687	43.2
168.09377	3.1
169.10124	13.6
170.10889	4.6
171.08020	3.4
171.11694	22.8
173.09625	6.8
173.13263	20.5
175.11090	5.0
175.14815	10.4
179.08525	6.2
180.09280	3.6
181.10138	9.7
181.12187	3.4
182.10936	6.0
183.11717	13.6
184.12373	2.7
185.13263	10.5
187.11125	3.8
187.14848	11.2
189.12749	6.8
191.14305	4.4
193.10136	8.6
194.10844	4.9
195.11665	14.4
197.09734	3.6
197.13278	14.1
199.14847	9.2
201.12782	3.4
201.16367	6.0
203.14330	9.2
206.10928	5.4
207.11676	10.0
207.13631	3.4
208.12411	4.4
209.13255	14.6
211.11227	2.4
211.14836	9.1
213.12720	5.4
213.16537	3.2
215.14366	8.4
217.15958	2.8
218.10941	2.7
219.11703	4.5
220.12518	3.3
221.13269	10.8
221.15384	33.9
222.14301	2.8
223.11107	3.7
223.14894	9.5
225.12738	5.1
225.16403	3.9
230.10837	2.9
231.11647	5.2
233.13210	4.5
233.15396	19.1
235.14835	4.7
237.16313	7.1
239.14372	3.7
239.17984	3.8
241.19679	3.2
243.11600	3.1
246.13980	2.9
247.14761	4.9
249.16322	4.4
251.17970	3.5
253.16057	2.9
259.14746	3.9
261.16397	5.5
265.19583	3.7
275.17831	3.2
277.15817	2.5
277.19598	2.6
281.18939	4.7
285.18533	2.8
286.19330	2.5
293.19019	4.1
295.20578	2.9
335.24374	2.3
347.23584	3.1
353.26584	5.0
354.27206	3.2
359.23724	4.0
373.25235	5.4
375.23282	2.8
393.24301	5.4
397.57574	2.9
407.29584	3.8
460.88596	2.2
489.32852	2.5
507.33020	2.6
545.37195	3.8
550.09088	2.5
563.38788	18.0
581.29559	3.0
581.39862	100.0
582.40570	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	582.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06815	9.3
54.38479	9.3
55.05502	11.8
67.05495	9.6
69.03424	10.9
69.07049	9.9
70.33304	16.8
70.33707	16.0
79.05503	17.0
81.07066	37.6
91.05494	45.4
93.07052	28.0
95.04984	62.1
95.08607	22.0
104.43857	9.0
105.07026	93.2
107.08613	45.4
109.06526	10.2
109.10162	18.1
115.05414	11.7
117.07034	31.4
119.08591	78.1
121.06569	10.9
121.10159	39.1
123.08063	17.7
123.11719	8.5
125.30578	8.5
128.06238	21.0
129.07016	28.8
130.07825	13.6
131.08572	59.7
133.06509	12.9
133.10127	35.9
134.77408	8.2
135.08041	11.8
142.07808	21.5
143.08534	71.5
144.09297	14.8
145.06442	9.6
145.10123	72.7
147.08051	12.8
147.11716	13.6
149.09651	10.0
153.06952	11.1
155.08569	23.0
156.09349	22.6
157.10115	67.4
158.10912	12.6
158.22212	9.7
159.08063	16.7
159.11671	24.0
161.09589	20.7
165.07039	15.4
167.08517	11.1
167.10692	12.4
169.10181	40.1
170.10959	11.8
171.08066	10.3
171.11670	48.5
173.09607	17.6
173.13213	14.3
175.14848	13.5
180.09320	15.8
181.10179	28.6
182.10847	10.2
183.11684	47.0
185.09656	12.1
185.13286	17.9
187.11197	9.7
191.14421	9.3
193.10129	23.3
194.10861	11.8
195.11736	40.3
196.12454	9.0
197.13286	24.0
199.11206	17.4
199.14848	9.0
206.10898	9.8
207.11736	23.0
208.12460	14.8
209.13258	39.7
211.11232	13.9
211.14911	11.9
215.10648	9.2
217.10197	10.3
221.13327	16.2
223.14851	16.1
227.14305	23.7
235.14835	15.2
239.14439	13.6
245.13168	12.7
251.14331	9.8
259.14816	12.9
261.16513	10.7
273.18472	75.7
289.15872	11.8
293.18817	8.5
299.20084	31.0
325.21661	9.9
337.21680	30.2
351.23160	9.9
352.24030	100.0
365.24594	16.3
444.30209	45.0
490.34442	14.0
582.40582	74.6
607.51404	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.2
55.05511	18.3
57.07073	12.8
59.04976	2.9
65.03929	3.5
67.05508	26.2
69.03429	8.2
69.07077	19.8
70.03046	12.1
74.09718	2.6
77.98659	2.1
79.05499	27.3
80.28514	2.1
80.44798	2.0
81.03427	3.3
81.07058	39.5
82.06606	2.6
83.04990	6.6
83.08617	7.9
85.06528	5.8
89.00694	2.3
91.05478	44.5
93.07046	61.9
95.04966	14.7
95.08009	3.2
95.08603	42.0
97.06525	6.9
97.10175	4.1
103.05467	5.2
105.07030	65.8
105.07712	4.6
107.04951	5.4
107.08590	42.4
109.06523	10.8
109.10149	24.8
111.08034	3.1
115.05471	3.6
117.07042	14.3
117.63818	2.7
119.08575	73.3
119.09395	5.0
121.06491	5.1
121.10140	52.2
123.08067	19.4
123.11716	7.4
125.05956	3.3
125.09686	2.8
128.06256	12.2
129.07039	16.2
130.07811	7.6
131.08559	35.3
133.06488	2.2
133.10129	34.2
135.08058	14.5
135.11694	18.1
137.09595	11.4
139.11165	5.1
141.07031	10.1
142.07779	22.1
143.08556	40.6
144.09357	8.2
145.10112	51.9
147.08014	15.5
147.11687	15.2
147.12662	2.4
149.09624	9.1
149.13237	4.3
151.07549	13.2
153.06985	4.5
154.07764	4.2
155.08559	20.2
156.09354	20.1
157.10121	55.3
157.11359	4.1
158.10947	7.8
159.08087	5.6
159.11707	27.5
161.09666	4.5
161.13251	8.9
163.11198	10.3
165.06978	5.8
165.09116	36.4
165.10396	4.1
167.08566	9.4
167.10712	11.1
168.09364	7.5
169.10129	28.3
170.10921	7.2
171.11679	31.8
173.09630	5.6
173.13263	21.6
175.11246	3.3
175.14816	9.0
177.12846	2.9
179.08632	10.8
180.09416	5.9
181.10118	16.4
181.12276	7.9
182.10918	8.0
183.11716	26.0
184.12505	3.2
184.17053	6.4
185.09781	4.7
185.13254	16.0
187.11128	4.3
187.14841	5.7
189.12823	6.6
191.08646	3.9
191.14359	10.3
192.09392	5.1
193.10162	12.7
194.10902	11.4
195.11661	20.8
196.12491	5.4
197.13269	19.3
199.11203	3.1
199.14790	15.0
201.12764	4.4
201.16408	3.8
203.14297	12.7
204.09494	2.6
205.10103	4.4
206.10928	8.2
207.11725	19.6
207.13802	6.9
208.12399	8.5
209.13269	25.7
211.14879	13.3
213.16325	3.9
216.09315	3.1
217.10182	3.7
217.15900	7.7
219.11740	11.0
219.17651	3.6
220.12460	7.6
221.13295	13.7
221.15352	69.2
222.13953	5.1
223.14801	12.1
225.12721	4.3
225.16306	3.9
227.14319	3.3
229.10143	2.3
229.16028	3.3
230.11107	2.7
231.11763	7.1
231.17503	2.9
232.12451	4.9
233.13219	14.4
233.15382	6.5
234.14084	4.1
235.14841	11.0
237.16460	8.0
239.14291	2.7
239.17998	3.3
243.11697	3.4
244.12540	2.8
245.13496	11.5
246.14061	6.0
247.14807	7.9
247.17041	4.1
249.16418	8.5
251.17929	5.2
257.19055	8.1
259.14905	5.0
260.15689	3.3
261.16467	7.9
263.17981	6.4
265.19574	7.6
269.19019	4.3
271.14642	4.7
273.16208	3.7
273.18713	3.2
274.17340	3.8
275.18021	9.6
277.19489	3.7
279.21158	4.7
283.20630	12.8
295.20862	4.5
297.22208	4.9
315.21072	3.4
329.22705	3.4
331.24078	4.6
333.22092	3.0
349.25226	6.3
361.25299	3.3
375.26813	8.4
403.29950	9.1
427.30392	3.0
491.35196	6.0
503.35236	5.6
509.33987	2.7
547.39276	3.4
565.40643	23.5
583.41455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07272	1.6
53.03944	3.6
55.01874	3.1
55.05505	17.5
57.07070	9.4
59.04983	3.6
65.03928	3.5
67.05504	29.8
69.03429	7.7
69.06725	2.7
69.07063	21.5
69.93053	5.3
69.93469	3.5
77.03958	1.8
77.85215	1.6
79.05495	27.2
81.07055	37.3
83.04990	9.3
83.08620	12.3
85.06550	7.7
91.05477	47.9
93.07043	71.5
95.04971	13.8
95.08606	39.4
97.06525	6.8
97.10159	2.2
103.05448	3.9
105.07034	76.9
107.04996	2.0
107.08591	56.9
109.06519	12.6
109.09446	2.5
109.10159	23.3
111.08116	3.8
111.11733	2.1
113.09663	1.6
115.05457	5.3
116.06136	1.8
117.07018	20.2
119.08579	85.4
121.06506	5.7
121.10138	60.9
123.08069	21.5
123.11685	7.8
125.05993	4.0
125.09641	5.4
128.06195	9.8
129.07014	16.5
130.07794	7.7
131.08566	40.4
132.09328	1.8
133.06491	2.6
133.10127	43.8
135.08078	10.7
135.11687	16.4
137.05948	1.9
137.09604	11.3
139.11157	4.1
141.06990	6.8
142.07780	24.5
143.08559	42.9
144.09360	8.1
145.06441	1.8
145.10124	57.9
147.08055	10.7
147.11687	14.9
149.09634	11.6
149.13306	4.0
151.07555	14.7
153.06975	5.8
154.07872	3.7
154.88364	1.6
155.08546	18.1
156.09334	17.4
157.10127	56.9
158.10896	7.9
159.08081	7.0
159.11694	27.6
161.09583	7.6
161.13249	6.8
163.11195	6.8
165.06956	8.7
165.09103	17.9
166.07771	3.1
167.08578	9.6
167.10667	30.7
168.09340	7.3
169.10123	36.8
170.10925	12.6
171.11681	32.1
172.12340	2.1
173.09671	2.3
173.13274	25.3
175.11200	6.5
175.14914	8.9
178.07863	2.1
179.08563	16.2
180.09326	6.0
181.10135	17.7
181.12201	5.8
182.10883	9.7
183.11674	31.0
184.12431	7.0
185.09636	2.1
185.13269	16.2
187.11276	2.3
187.14821	7.7
189.12721	10.1
189.16299	1.9
191.08606	3.2
191.14343	6.4
192.09341	5.4
193.10126	16.4
194.08006	1.7
194.10881	12.1
195.11691	25.8
196.12411	8.4
197.13240	20.8
198.14011	2.8
199.11147	3.3
199.14806	20.3
201.12747	2.3
201.16408	6.2
203.08485	1.8
203.14337	9.6
205.10150	3.3
206.10896	9.3
207.11702	19.0
207.13806	7.1
208.12462	10.0
209.13280	31.0
210.14041	4.5
210.80614	1.9
211.11206	3.3
211.14766	13.3
213.12866	3.5
213.16420	5.1
215.14314	5.9
215.17999	1.8
217.15814	8.8
218.10912	4.1
219.11699	7.8
220.12508	6.3
221.13243	18.3
221.15398	25.5
222.14052	3.9
223.11160	1.8
223.14827	13.8
223.44279	1.8
224.15622	2.9
225.12796	2.8
225.16379	10.0
227.14417	1.7
229.10211	4.5
231.11728	6.8
231.17250	2.2
232.12500	4.5
233.13225	9.2
233.15421	12.6
234.14069	5.4
235.14847	12.9
236.15691	3.1
237.12828	2.4
237.16359	9.6
239.14268	1.9
239.17850	3.6
243.11665	4.8
243.17657	2.4
244.12534	3.4
245.13220	8.7
246.14098	5.2
247.14778	9.3
247.17004	2.9
247.37627	1.8
248.15559	3.3
249.16382	11.6
250.17177	3.4
251.14279	1.7
251.17955	6.8
255.17545	2.0
256.98639	1.6
257.13434	2.4
257.18951	5.4
258.14047	2.8
259.14825	6.7
260.15601	2.8
261.16360	10.1
262.17358	2.0
263.17950	6.8
265.19467	8.2
267.17609	2.1
269.19052	6.2
271.14792	3.1
272.15622	3.2
273.16409	5.4
274.17087	3.2
275.17926	8.1
277.19547	7.1
281.18973	2.5
283.20560	11.2
287.17673	3.0
289.19388	4.0
291.21054	3.6
293.18921	3.1
295.20544	5.3
299.20380	2.4
300.21100	2.2
315.20963	1.8
317.22656	2.7
327.21155	1.9
329.22644	2.6
331.24222	3.5
333.22211	2.5
335.23770	1.9
347.23685	3.1
349.25391	4.6
357.25720	3.0
359.23877	2.1
361.25247	2.5
373.25092	1.9
375.26816	3.7
403.29974	5.4
413.28256	1.8
491.35062	4.0
509.34549	2.0
547.39404	3.6
565.40314	18.9
583.41400	100.0
584.41779	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01869	2.9
55.05507	13.4
57.07071	14.8
59.04987	2.7
65.03937	3.8
67.05506	26.4
69.03420	9.2
69.07066	21.3
69.24111	9.5
69.24544	5.3
71.08649	2.0
77.66824	1.4
79.05492	25.0
81.07051	31.6
83.04977	7.2
83.08621	8.5
85.06532	8.2
85.10169	1.5
91.05479	46.2
93.07041	57.8
95.04966	14.8
95.08605	41.1
97.06535	7.7
97.10202	2.1
98.98478	5.3
99.08054	1.4
101.78483	1.3
103.05467	3.9
105.04515	2.0
105.07028	70.8
106.10368	1.6
107.04952	1.7
107.08593	44.3
109.06516	10.7
109.10154	21.4
111.08090	2.8
112.33506	1.8
113.09702	1.5
115.05431	6.7
116.06219	1.6
117.07009	16.7
119.08579	78.9
121.06521	5.1
121.10144	47.5
123.08061	19.5
123.11687	6.8
123.58107	1.3
125.06030	2.1
125.09627	3.5
128.06218	8.6
129.07018	15.8
130.07802	5.1
131.08562	34.1
133.06557	3.2
133.10117	36.8
135.08038	10.4
135.11700	11.8
137.09619	13.4
139.11168	2.3
141.07004	8.3
142.07777	21.9
143.08557	42.8
144.09352	5.7
145.10121	50.8
146.10503	1.3
147.08054	19.6
147.11685	19.0
149.09613	9.2
149.13239	2.9
151.07521	13.9
153.06967	3.8
154.07809	3.4
155.01027	7.6
155.08539	17.9
156.09348	18.4
157.10123	58.8
158.10899	9.3
159.08089	4.8
159.11678	29.0
161.09630	5.9
161.13274	8.6
163.11174	8.1
165.07051	7.5
165.09100	33.2
166.07837	3.4
167.08571	9.6
167.10641	12.1
168.09346	6.4
169.10132	26.5
170.10941	8.5
171.11678	31.2
172.12448	2.5
173.09663	4.3
173.13263	24.3
175.11214	4.8
175.14790	9.6
177.12711	1.9
178.07774	2.6
179.08572	14.2
180.09357	6.8
181.10144	16.6
181.12227	6.0
182.10925	6.1
183.11684	28.4
184.12471	4.7
185.09631	2.1
185.13264	20.9
186.10381	1.5
186.14107	2.0
187.11217	3.2
187.14771	7.8
189.12749	7.4
191.08650	3.4
191.10661	1.4
191.14264	8.9
192.09338	6.4
193.10150	13.4
193.11998	2.2
194.10901	10.4
195.11719	24.8
195.13521	2.5
196.12476	6.1
197.13249	20.7
198.14001	1.6
199.11235	2.5
199.14815	14.1
201.12761	3.1
201.16385	3.1
203.08647	1.9
203.14252	14.4
205.10193	3.9
206.10928	5.7
207.11719	20.0
207.13828	6.8
208.12494	6.1
209.13278	25.1
209.15178	3.1
210.14098	4.6
211.11305	3.0
211.14752	10.0
213.12738	3.2
213.16382	4.6
215.14357	2.1
217.10204	3.4
217.15948	8.6
218.10870	3.6
219.11652	8.3
219.17543	3.3
220.12508	6.5
221.13277	16.4
221.15413	62.3
222.14009	5.3
223.11325	1.8
223.14827	15.7
224.15556	1.7
225.12770	2.8
225.16461	6.3
227.14401	2.9
227.17906	2.3
229.10202	1.8
229.16025	1.9
230.10895	3.2
231.11771	5.6
231.17546	2.1
232.12566	4.4
233.13278	11.0
233.15398	5.8
234.13954	4.8
235.14764	10.6
236.15685	2.2
237.16423	6.2
239.14276	2.3
239.18033	6.1
243.11705	3.3
244.12502	2.2
245.13354	6.3
246.14105	5.5
247.14828	9.1
247.16971	2.8
248.15677	4.9
249.16397	9.9
250.17091	2.4
251.18053	5.2
253.15982	3.7
253.19536	3.7
255.17494	1.7
257.13327	3.5
257.19070	7.5
258.14072	2.1
259.14893	6.0
260.15604	3.5
261.16409	9.0
263.18042	6.5
265.19553	9.1
267.17419	2.3
269.13257	1.6
269.18979	4.0
271.15067	4.0
271.20514	3.2
272.15359	1.8
273.16202	3.7
273.18716	2.1
275.17725	8.6
277.19586	5.3
279.17725	1.9
279.20984	2.9
281.19058	2.8
283.20560	16.6
286.19299	1.9
287.20236	3.9
289.19574	4.8
291.17477	1.6
291.20932	2.0
293.19135	3.0
295.20554	3.5
297.22083	6.6
299.20221	2.5
300.20938	2.2
301.19342	2.8
303.21207	2.5
307.20615	3.9
309.22263	2.7
312.21317	1.7
315.20999	4.0
317.22473	2.1
319.20572	1.9
331.24286	4.4
333.22137	2.9
335.23785	2.2
341.30609	2.8
347.23764	3.3
349.25092	6.8
357.25659	2.0
359.23431	1.6
361.25174	2.9
365.24554	3.9
373.25385	1.5
375.26645	9.1
403.30002	6.9
491.35138	6.1
503.35532	4.9
509.34259	3.9
547.39337	5.8
565.40326	26.0
583.41431	100.0
598.71436	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	583.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.01859	7.3
55.05507	30.3
57.07078	18.8
59.04998	5.0
65.03926	8.0
67.05502	50.6
69.03416	8.6
69.07068	39.1
70.56471	2.4
70.56823	9.9
71.08618	5.3
79.05492	47.0
81.03418	6.5
81.06602	4.2
81.07053	56.0
83.04967	11.9
83.08625	16.2
85.02875	2.7
85.06539	6.7
89.06022	4.3
90.32160	2.7
91.04916	4.5
91.05476	72.7
93.07037	89.0
95.04968	18.9
95.08604	48.6
97.06534	13.2
97.10152	4.4
98.21455	3.4
98.98469	6.2
103.05456	4.1
105.06322	4.6
105.07028	88.2
107.04943	47.7
107.07903	3.8
107.08594	68.2
109.06526	16.5
109.10155	40.6
111.08037	4.5
111.11733	2.9
115.05469	5.6
116.02560	2.4
117.07011	22.6
119.08579	100.0
121.06498	8.5
121.10143	63.3
123.08073	17.5
123.11675	10.3
125.09628	9.1
128.06184	15.5
129.07002	23.3
130.07803	7.9
131.08553	56.6
133.06512	5.1
133.10139	49.1
134.80667	2.7
135.08058	25.2
135.11678	17.9
137.09648	15.2
139.11172	4.9
141.06949	12.2
142.07776	22.9
143.08566	47.7
144.09328	8.0
145.10124	75.1
147.07999	14.0
147.11690	27.7
149.09599	23.2
149.13252	7.5
149.82755	2.9
151.07547	7.5
151.11246	4.1
153.06975	5.3
154.07852	3.4
155.01033	11.4
155.06113	2.8
155.08549	16.9
155.10612	3.9
156.09392	18.5
157.10127	59.2
158.10873	6.2
159.08055	6.6
159.11691	38.1
161.09679	16.3
161.13261	11.1
163.03908	6.8
163.11169	10.9
164.28775	2.7
165.07033	5.2
165.09125	14.0
166.07780	2.8
167.08504	7.6
167.10677	44.5
168.09305	5.6
169.10136	32.3
170.10881	9.2
171.08206	2.7
171.11668	36.6
173.09592	5.4
173.11800	5.9
173.13206	29.8
175.11176	6.3
175.14757	12.7
177.12766	4.2
179.08612	15.5
180.09367	6.3
181.10089	18.7
181.12242	5.3
182.10872	8.6
183.11678	29.3
184.12375	6.3
185.13217	21.6
187.11198	4.4
187.14787	9.0
189.12773	8.7
191.14282	5.7
192.09424	4.2
193.10167	13.1
194.10905	9.4
195.11726	21.1
196.12386	6.9
197.13243	27.4
199.11049	3.1
199.14813	21.6
201.16415	6.0
203.14305	5.5
206.10880	8.9
207.11688	16.5
207.13673	4.9
208.12465	7.7
209.13228	27.0
211.14822	14.3
213.12726	4.2
213.16354	7.1
215.14323	6.2
217.15947	14.1
218.10968	4.4
219.11723	5.6
219.17461	5.3
220.12460	3.5
221.13216	14.9
221.15378	25.3
223.14725	13.8
225.16377	8.7
231.11772	3.6
232.12480	4.6
233.13187	10.3
233.15390	10.6
234.13881	3.4
235.14882	10.7
237.16339	9.1
239.17967	5.8
241.15997	3.4
245.13277	3.7
245.18970	6.3
246.14020	4.8
247.14845	10.1
248.15633	5.5
249.16368	8.9
251.17926	5.9
255.17400	3.8
257.19016	9.5
259.14816	6.1
260.15607	4.6
261.16440	9.6
263.17957	6.4
265.19571	6.1
267.17563	3.1
267.21011	4.4
269.19113	6.9
270.13962	2.9
273.18570	43.8
275.17438	4.8
275.20297	20.7
277.19357	4.5
279.20984	3.2
283.20615	9.1
291.19507	34.9
293.21243	3.3
299.20306	4.2
306.88977	3.0
331.24075	2.8
341.30432	6.4
349.25259	6.6
373.25613	3.0
375.27362	3.9
491.34827	6.5
547.38104	7.5
565.40137	21.9
583.41382	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	584.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09361	0.9
53.03930	1.3
55.01867	1.0
57.03432	1.1
61.02922	3.0
65.03954	0.9
67.05503	2.1
69.03436	6.0
69.27589	7.8
70.06601	6.2
71.04994	0.9
72.08157	1.7
73.02905	1.6
79.05499	2.6
81.03396	2.3
81.07062	1.9
82.06551	1.1
84.04497	1.5
84.08138	3.5
85.02905	9.6
86.06084	1.3
86.09695	2.4
87.04465	3.4
87.46334	1.1
91.03954	1.2
91.05490	5.1
93.07041	2.5
95.04971	29.6
96.04538	0.9
97.02900	5.3
97.95954	0.8
98.06051	2.1
98.07177	1.7
99.04414	1.1
100.07603	1.5
103.03931	1.9
103.05408	0.8
105.03448	0.9
105.07005	0.9
105.91357	0.9
107.04966	3.9
107.08598	1.0
108.08128	5.2
109.02862	1.8
109.06503	1.9
112.07607	3.9
116.98591	1.0
119.04954	5.0
120.08110	1.7
121.06516	1.6
123.00809	2.3
123.04441	12.6
126.05491	2.1
127.03884	1.9
130.08669	1.1
135.04399	3.0
135.06683	0.9
136.07608	1.3
137.05981	2.1
139.03896	1.8
140.07230	0.9
141.01810	1.1
144.06569	2.1
145.05002	2.1
145.06587	0.8
147.04420	4.5
149.01215	1.0
149.05994	0.9
151.03908	78.0
158.08147	2.5
165.05478	100.0
165.12601	0.8
167.07112	1.6
175.03969	2.7
177.05484	1.5
183.06482	2.3
187.07513	0.9
193.04984	13.3
207.06529	5.3
211.06018	14.5
224.09146	2.0
225.07597	37.2
226.10802	2.0
243.08653	14.8
263.07407	1.2
279.06543	1.2
343.20395	1.0
355.09583	0.9
374.02249	0.9
378.21167	2.2
390.15646	2.9
422.18118	6.9
422.23730	3.5
520.16809	1.1
540.26331	1.5
584.28448	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	585.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04711	3.4
55.05502	15.8
61.80202	3.5
67.05508	23.6
69.07063	26.9
69.16499	36.5
69.16918	8.1
78.89758	3.7
79.05480	25.0
81.07059	28.1
83.04987	6.0
83.08598	5.4
89.06016	5.9
91.05482	25.6
93.07053	33.6
95.04960	15.1
95.08624	23.0
97.06527	8.5
97.10149	6.9
105.07034	30.4
107.04951	15.6
107.08592	20.3
109.10128	10.8
117.07018	10.2
119.08577	23.9
121.06528	4.0
121.10143	19.3
123.08102	3.8
131.08557	16.9
133.10085	18.2
135.08049	17.2
135.11678	5.5
139.11186	8.5
145.10115	6.5
147.11700	5.2
149.09625	8.6
157.10046	4.4
159.11708	6.3
168.49460	4.5
170.01469	4.3
177.12781	4.2
203.12720	13.4
207.13907	4.1
219.13741	4.3
247.20761	6.1
257.19006	9.1
275.20068	100.0
290.52515	3.9
293.21109	48.0
305.36536	4.2
441.55914	3.8
536.55347	4.4
585.41589	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	585.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.7
55.01883	12.1
55.05514	46.8
56.96542	3.3
57.03421	6.9
57.07063	3.1
60.47552	2.1
61.02906	3.5
67.05508	58.1
69.03431	5.0
69.07065	42.9
71.04995	5.6
71.32663	4.7
79.05492	50.4
81.03389	5.4
81.06599	4.4
81.07056	60.9
83.04983	7.6
83.08615	19.5
85.02907	4.0
85.06541	3.3
91.05477	78.0
93.07037	53.3
95.04999	16.5
95.08609	42.8
97.02889	3.0
97.06539	21.2
97.10170	24.5
99.04448	3.0
99.08088	5.1
103.05466	3.1
105.06320	4.1
105.07030	78.2
107.04955	8.6
107.08591	40.7
109.06528	14.4
109.10160	17.8
111.08051	6.3
117.07007	21.6
119.07734	3.3
119.08582	64.9
120.08877	2.5
121.06498	7.2
121.10153	20.3
123.08071	9.6
123.11697	4.3
125.09645	15.2
128.06226	2.3
129.07005	12.7
131.08560	28.6
133.06473	4.0
133.10144	45.4
135.07112	2.8
135.08046	8.5
135.11667	9.0
139.11159	4.9
141.07001	5.6
142.07787	4.4
143.08588	15.4
145.10127	31.6
147.11687	25.9
149.09599	11.0
149.13246	2.7
151.11145	4.8
153.09221	3.0
155.08540	9.1
157.10146	18.9
159.07886	2.5
159.11687	24.3
161.13255	9.8
163.11165	5.8
169.10091	9.9
171.11664	13.3
173.09688	3.9
173.13248	11.2
175.11116	3.5
175.14713	3.4
177.12711	3.4
179.14314	8.5
181.10083	5.8
183.11690	8.9
185.13242	8.4
187.11192	2.5
187.14874	5.6
189.11189	10.2
189.12743	3.0
193.04996	2.7
195.11693	5.5
197.13290	7.6
199.14748	4.9
201.12633	3.2
201.16238	2.9
211.14830	6.5
213.16376	4.8
215.14372	2.5
229.19360	3.9
232.31743	2.5
235.16823	2.8
239.17935	5.0
257.19064	8.2
275.20074	100.0
277.21774	3.8
291.19592	6.9
293.21030	10.1
315.49280	2.6
323.24020	2.8
381.27893	6.0
383.29306	3.3
399.28842	7.8
409.31570	3.2
423.31180	14.3
455.31418	3.8
473.32849	6.8
513.36853	5.0
531.38593	5.7
549.39233	10.3
567.40497	18.1
585.30182	15.5
585.41168	27.9
586.29901	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	585.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.6
54.57552	3.9
55.01870	26.2
55.05511	89.0
57.03439	7.4
57.70434	4.2
67.05501	94.1
69.03419	9.9
69.07066	66.1
69.76267	9.5
69.76675	17.1
71.04978	4.9
79.05491	73.1
81.03396	5.9
81.07059	100.0
83.04992	11.0
83.08611	44.5
85.02906	7.7
91.05477	62.5
93.07048	60.6
95.04939	20.7
95.08608	67.9
97.06548	39.1
97.10158	54.9
99.08045	4.7
105.07031	69.0
107.04956	16.3
107.08591	58.5
109.06525	15.7
109.10176	40.6
111.08075	8.8
117.07014	36.3
119.08576	54.1
121.10139	36.7
123.08075	15.8
123.11742	5.8
125.09628	41.8
128.06247	4.8
129.06973	24.2
131.04811	5.0
131.08559	35.2
133.10123	47.2
135.08089	5.4
135.11702	16.7
141.06985	10.4
142.07776	7.6
143.08554	32.1
145.10127	35.7
147.11673	24.1
147.34380	4.4
149.09615	24.5
155.08560	14.6
157.10097	26.0
159.08067	4.6
159.11700	36.0
160.00867	4.7
161.09656	7.5
161.13327	10.7
163.11127	8.9
165.09196	5.3
169.10149	13.3
171.11629	27.7
173.11897	5.9
173.13315	17.8
175.11110	4.9
179.14323	17.0
181.10153	7.0
183.11696	16.1
185.13255	11.4
187.11140	7.1
187.14886	6.3
189.11208	29.2
189.12708	6.8
193.05057	4.8
193.10289	5.5
195.11754	8.5
197.13300	11.0
199.10966	6.0
199.14911	6.2
201.12801	5.4
201.16278	6.7
207.11528	4.8
209.13239	7.7
211.14915	10.9
213.16447	12.7
223.14883	6.4
225.16313	8.5
227.17998	4.7
231.48497	4.9
238.92142	5.0
239.18011	10.6
257.19052	13.1
266.49844	4.7
275.20065	93.0
283.20535	4.4
285.18549	5.0
287.20114	5.6
291.19498	12.7
293.21182	23.9
301.21823	4.9
327.23257	7.2
381.27841	14.1
383.29822	5.9
395.29068	5.0
397.30847	7.5
399.28949	22.4
423.31198	25.8
455.31613	14.8
457.33234	5.3
473.32483	20.4
531.38391	8.0
549.39191	16.0
567.40503	45.8
585.30560	16.0
585.41235	45.5
586.29932	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	586.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
57.07077	38.3
65.50379	1.0
67.05508	1.4
69.07075	3.2
69.59621	4.3
69.60042	2.4
71.08640	23.8
73.06552	8.8
76.14191	0.9
79.05499	1.1
81.07049	2.0
83.08609	1.8
85.10184	20.9
87.04473	6.0
89.06033	100.0
91.05491	1.7
93.07050	2.9
95.08630	1.3
97.10179	4.0
98.14020	1.0
99.11730	2.7
105.07026	2.7
107.07073	4.4
107.08634	2.0
109.06527	1.1
109.10134	1.3
111.11706	1.0
113.13305	1.7
117.09137	7.1
119.08573	3.1
121.10112	1.4
130.08646	3.5
131.07076	1.4
131.08606	1.2
133.08609	50.0
133.10150	2.2
135.10167	1.3
142.07916	1.0
145.10168	1.3
155.17960	4.1
161.11768	1.6
175.09761	0.9
177.11237	22.4
198.14227	0.9
199.20572	4.5
218.87537	0.9
221.13879	4.3
239.14966	1.3
243.23203	10.7
283.17584	1.8
287.25925	5.5
327.20129	1.3
357.02975	1.0
415.25403	2.9
517.05670	1.0
569.42401	6.0
586.45013	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.5
56.05023	3.3
58.33895	3.2
61.02925	3.6
64.76242	3.0
67.05503	7.5
67.32249	3.1
69.03429	5.9
69.96396	14.5
70.06598	17.3
71.04973	4.3
72.08159	11.2
79.05492	14.1
81.03442	6.3
81.07070	3.0
84.08146	6.3
85.02892	14.8
86.09715	8.3
91.05478	8.8
93.07040	5.8
95.04961	28.3
96.08184	3.8
97.02902	7.7
98.06065	3.6
103.05483	6.8
107.04959	100.0
109.02879	25.7
109.06509	5.1
111.04444	7.1
120.08118	5.1
121.06513	9.8
123.04436	8.6
125.02372	4.9
127.03901	8.1
130.81146	2.8
131.04936	4.1
135.04430	29.6
136.07599	6.7
137.05969	3.4
139.03929	38.1
143.71233	3.3
149.05946	18.1
151.03932	11.6
153.05484	6.2
156.10265	2.8
157.04880	7.0
164.07155	3.7
165.05496	75.2
167.07065	19.2
176.07135	4.0
177.05475	36.2
182.08279	4.9
185.04518	3.5
195.06497	22.9
200.09178	23.8
209.08089	58.6
227.09099	25.8
252.12375	3.7
351.10736	28.7
383.13275	8.0
408.16553	6.6
416.60995	3.5
426.17639	7.3
478.83484	3.4
483.15457	4.1
588.22821	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	588.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05495	0.3
56.05026	0.6
58.06601	0.5
60.08161	6.5
67.05495	0.7
71.07375	3.0
71.34439	0.4
78.14005	0.2
79.05505	0.3
81.07033	0.6
84.08122	0.3
86.09705	31.3
93.07002	0.6
95.04959	0.4
98.98460	3.1
104.10751	3.3
109.06438	0.3
109.10130	0.3
119.08592	0.5
125.00002	19.8
125.43773	0.3
143.01007	0.6
147.17097	0.2
150.13922	0.2
184.07336	100.0
185.07655	0.3
222.66357	0.2
378.83658	0.3
570.35339	1.1
588.36554	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	588.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	23.5
57.07060	14.5
67.05493	22.5
69.07051	27.8
71.49730	9.7
78.72588	9.1
79.05494	14.3
81.03407	71.4
81.07035	20.0
83.08611	35.4
91.05455	10.8
93.07026	16.4
95.04965	21.5
95.08588	15.7
107.04958	11.4
109.10161	12.5
109.40092	10.3
119.08563	10.5
131.08595	11.5
174.84160	9.5
175.11197	11.5
185.69753	10.5
193.12254	20.9
267.15945	100.0
311.25751	49.2
423.79367	9.5
432.62671	9.2
454.39664	9.3
503.37042	35.6
524.60254	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	588.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07824	10.5
55.05511	22.0
61.26233	8.7
64.89085	9.1
67.05492	14.9
69.07069	33.2
70.18412	32.9
71.08643	11.1
81.03429	60.1
83.08611	29.6
91.05493	9.1
93.07010	16.0
95.04967	11.9
95.08601	9.5
98.21417	11.0
121.06422	8.9
149.09642	10.1
157.10147	11.9
178.69366	8.7
181.50545	9.2
193.12305	14.6
210.57666	9.4
225.73210	8.3
267.15952	100.0
268.00259	9.5
303.67209	8.6
311.25833	74.7
409.11581	10.6
503.37234	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	590.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70958	0.2
55.01877	0.2
55.05511	0.2
63.42398	0.2
66.68673	0.2
66.74099	0.2
69.03401	0.2
69.07049	0.4
70.06585	0.6
70.46905	0.5
70.47300	0.6
73.02911	0.3
79.05501	0.4
81.03417	0.4
81.07054	0.5
85.02901	0.5
86.09689	0.4
91.05497	0.5
93.07036	0.4
95.04977	0.4
95.08612	0.4
97.02882	0.5
97.06522	0.6
105.07024	0.6
107.04926	0.5
107.08582	0.3
109.02898	0.2
109.10129	0.3
112.28838	0.3
127.26189	0.2
144.08824	0.2
163.11159	0.3
165.05536	0.4
208.79269	0.3
247.08009	0.5
259.09674	0.3
283.08624	0.3
285.09979	0.3
301.06171	0.3
328.07172	0.3
338.26550	0.3
344.10562	0.3
372.10059	0.9
388.13058	3.1
428.12305	3.0
517.08209	0.3
574.14575	0.9
590.17615	100.0
591.18103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
56.96551	0.4
64.30769	0.2
67.05501	0.3
69.03432	0.2
69.07080	0.3
70.83520	0.5
72.74664	0.2
73.02901	0.7
75.04455	0.5
79.05455	0.2
81.03419	0.2
81.07048	0.4
84.04517	0.2
84.08123	0.2
85.02916	0.2
86.09718	0.3
91.05495	0.4
97.02871	0.2
97.06554	0.5
105.06989	0.3
119.08521	0.2
125.01536	0.4
128.51747	0.2
147.04381	0.4
150.12712	0.2
152.06169	0.2
153.06960	0.2
155.08498	0.5
165.07014	2.3
166.07744	0.4
168.05775	0.2
181.06496	1.0
182.07263	1.6
183.08034	4.0
186.02356	0.6
187.02977	0.2
193.06314	0.3
193.07809	0.2
195.08055	5.2
196.08797	0.6
199.03128	0.4
200.03941	0.2
203.02557	1.4
211.07527	9.0
214.02051	0.2
215.02597	0.5
217.04152	9.0
218.04829	0.6
225.09102	0.7
226.09866	3.4
229.04126	0.7
230.04918	2.8
231.02065	0.5
232.02859	0.6
245.03709	0.6
246.04436	3.2
261.06766	100.0
262.07227	1.2
279.21561	0.2
348.54385	0.2
447.09314	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	590.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01875	1.3
55.05502	4.8
56.05037	1.2
57.07071	1.1
61.02927	1.2
65.03934	1.3
67.04242	1.0
67.05516	5.5
69.03431	1.9
69.07074	2.4
70.06609	1.2
71.49995	1.2
71.50362	1.4
76.66490	1.0
79.05480	6.7
80.05011	2.0
81.03408	1.7
81.05804	1.6
81.07067	10.8
82.06578	37.2
83.04977	1.3
83.08618	6.4
85.02892	5.7
91.05474	4.1
93.07037	6.7
94.06569	38.7
95.04970	4.8
95.08601	3.2
96.08134	4.7
97.02886	2.0
97.06528	2.0
97.10170	1.5
98.09695	9.4
103.05473	4.0
105.07043	1.3
108.08119	6.6
109.06519	2.2
110.09665	2.5
112.07659	1.1
120.08110	13.7
121.06540	2.3
126.09156	28.2
126.10060	2.4
132.55235	1.2
133.10106	1.0
138.09137	100.0
156.10188	12.1
219.08273	1.1
245.75421	1.1
254.24678	1.6
266.10547	1.1
272.25940	2.9
339.63113	1.2
362.30557	2.8
374.30676	5.6
380.31528	10.3
392.31625	8.2
394.32916	1.6
410.32663	48.7
411.32733	1.3
522.59918	1.1
572.37714	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	590.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60136	4.2
55.05515	60.1
55.08881	3.7
57.03439	20.1
57.07065	17.3
61.28832	3.9
67.05504	61.7
69.07069	48.0
69.20071	44.0
71.08611	10.8
76.24752	4.2
79.05482	20.9
81.07051	28.4
83.08618	52.9
85.02892	16.2
85.10171	4.1
87.04464	7.9
88.53299	4.1
89.29280	4.0
91.05453	10.1
93.07051	10.3
95.08588	18.9
97.10171	60.4
107.08580	16.0
109.10155	55.1
111.11734	10.1
119.08574	5.1
124.97083	4.1
125.09624	28.7
125.13187	7.0
143.10674	5.5
146.46500	4.2
150.76350	4.3
150.90732	4.2
163.11176	5.3
173.11746	19.5
193.38670	4.2
199.13278	26.7
204.00780	5.1
205.80345	4.3
216.28880	4.4
227.12784	4.9
229.14354	70.4
301.16351	21.9
310.10022	4.3
311.25793	100.0
327.47278	4.8
435.34549	7.3
453.35492	12.1
465.35757	23.9
503.55087	4.1
537.37799	10.9
590.43170	28.7
591.38025	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	590.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24482	4.0
55.01868	8.0
55.05278	6.4
55.05514	74.1
57.03435	21.7
57.07074	17.8
58.34067	4.6
67.05502	65.1
69.07065	46.2
69.32756	39.1
71.01354	5.0
71.08612	10.9
79.05499	21.7
81.07048	30.1
83.04984	3.9
83.08615	49.0
83.92880	3.9
85.02895	17.6
85.10172	6.5
87.04478	5.6
91.05470	11.4
92.95420	3.9
93.07055	8.9
95.08597	17.8
97.10171	55.9
98.20724	8.0
107.08584	16.2
109.10157	41.2
111.08090	5.1
111.11708	6.3
119.08652	4.4
121.10138	5.6
125.09614	29.2
132.19145	4.4
140.58318	4.1
143.10648	4.5
153.12779	4.5
173.11722	15.1
199.13304	18.9
227.12752	6.9
229.14342	39.9
276.46823	4.5
283.15491	5.0
299.14850	17.4
301.16394	25.4
311.25790	100.0
313.27298	20.4
453.35599	17.0
465.35526	22.0
537.37775	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	590.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35743	9.2
54.07539	8.4
55.05530	9.4
55.71434	8.3
57.03428	18.7
57.07064	36.1
58.20829	8.5
67.05500	14.8
69.92571	44.1
71.08629	13.9
81.03428	75.7
81.07036	13.6
83.08604	20.5
85.10184	14.9
88.45096	8.5
89.59801	9.2
91.05466	11.2
93.07024	11.0
95.04950	12.2
95.08598	22.2
97.20371	11.8
98.21454	10.3
105.07034	16.1
119.08589	16.5
133.10197	9.4
193.12265	25.3
240.18024	8.5
267.15909	100.0
294.21735	9.8
313.27368	81.0
382.66153	8.3
493.19177	8.9
505.38846	74.7
527.50818	9.3
598.64886	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	591.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01870	1.1
55.05510	2.7
56.96558	1.0
57.03428	1.9
61.02923	1.7
61.92735	0.7
63.95480	0.8
65.03924	1.0
65.88277	0.8
67.05517	2.9
69.03435	6.8
69.07065	1.6
70.06584	5.7
71.49711	1.1
72.08157	1.7
73.02913	1.7
77.34370	0.9
78.51098	0.8
79.05502	5.6
81.03410	7.1
81.07059	3.2
83.04985	5.0
83.08610	0.8
84.04517	1.0
84.08134	1.8
85.02912	9.1
85.06508	0.9
86.09695	3.9
87.04446	1.0
91.05476	7.1
91.13628	0.8
93.07031	5.4
94.06543	1.3
95.04969	12.6
95.08596	1.5
97.02893	6.4
97.06504	3.5
99.04462	1.1
102.05621	1.1
103.05470	2.4
104.05019	1.2
105.03429	1.3
105.07034	4.7
107.04961	14.4
107.08611	2.4
109.02874	2.0
109.06526	2.0
111.08038	0.9
115.05487	2.7
117.06973	4.4
119.04931	4.7
119.08601	2.6
119.34706	1.0
120.04465	2.6
121.06503	3.8
121.10153	2.1
123.04433	3.3
123.08019	1.7
125.02385	2.0
127.03883	2.0
128.06258	1.7
128.98672	0.9
129.04486	23.8
129.07004	2.5
130.02887	7.2
131.04955	2.5
131.06070	1.3
131.08575	3.1
132.04471	4.5
133.02826	2.1
133.06523	1.5
133.10123	1.4
135.04381	2.1
135.08040	1.5
137.05991	2.0
139.03909	3.0
139.93047	0.9
140.10678	2.2
141.07011	3.6
143.08636	1.0
144.05733	1.1
145.04933	1.3
145.06508	4.8
147.05531	100.0
147.11618	1.2
149.05878	1.3
149.09648	1.3
151.03897	11.4
157.06467	1.3
157.10110	1.5
159.04318	1.2
159.05540	23.9
159.08060	2.4
160.06334	3.2
161.05952	2.2
161.07147	1.3
163.03958	3.3
163.07544	3.4
165.05492	21.2
165.06914	1.5
167.07030	10.2
169.06480	3.4
171.07993	1.1
173.05969	2.1
177.05417	1.5
177.06625	25.1
183.06453	1.5
187.05042	24.1
187.07584	3.8
191.07097	1.1
192.05310	1.2
197.06015	1.9
203.08197	9.7
205.08475	0.8
209.08072	1.0
215.07013	3.0
215.08531	1.6
229.09715	62.3
231.28070	1.2
233.08142	2.2
239.08147	1.2
267.15927	2.2
271.16187	0.9
279.09879	0.9
291.11218	2.1
307.10785	1.2
309.08752	6.3
309.12024	1.6
327.09695	5.1
341.11502	2.8
361.11795	6.3
361.51794	0.9
375.13385	1.1
379.12866	39.8
393.14340	7.5
397.13940	42.8
411.15506	27.8
411.20810	1.4
411.33038	1.5
429.16776	4.0
529.01520	0.9
559.19495	1.5
591.23389	3.3
618.92993	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	591.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01862	1.3
55.05501	1.9
57.03419	1.6
61.02916	1.8
65.03947	1.3
67.05504	1.5
69.03442	4.1
69.04518	0.5
69.07053	0.7
69.17054	0.5
69.22548	2.1
69.22978	3.6
70.06596	1.7
71.04983	0.7
72.08141	1.6
73.02940	0.9
75.04465	0.6
79.05482	4.0
81.03433	3.1
81.07047	1.4
83.04979	2.9
83.64446	0.5
84.08127	1.2
85.02908	6.9
86.09673	0.6
87.04428	0.8
89.66457	0.5
91.05485	3.8
93.07044	1.8
95.04971	10.5
97.02890	3.0
97.06506	1.3
99.04470	0.7
103.05460	1.8
104.04980	1.4
105.03402	1.4
105.07021	1.8
107.04963	9.7
109.02884	1.6
109.06506	1.7
111.04403	0.7
115.05441	1.7
115.87302	0.5
117.07032	3.2
118.06552	0.5
119.04945	4.5
119.08582	0.9
120.04465	2.0
121.02869	0.9
121.06488	2.8
123.04443	2.7
125.02343	1.8
127.03912	1.1
128.06223	0.9
129.04485	20.6
129.06987	1.0
130.02904	5.5
131.04927	2.8
131.06059	0.7
131.08580	2.5
132.04420	4.2
133.02875	2.4
133.06470	2.1
135.04413	2.5
135.08026	1.0
137.05969	1.2
139.03902	4.5
141.06990	3.7
143.08527	1.5
144.05728	0.8
145.06497	4.5
147.05530	100.0
149.05977	1.6
151.03897	13.9
152.29024	0.6
153.07030	0.9
153.86235	0.6
157.06429	0.8
159.04414	2.4
159.05544	28.7
159.07962	3.0
160.06329	3.3
161.05928	1.0
161.07176	0.6
163.03918	2.5
163.07584	2.0
165.05482	18.5
167.07037	8.5
169.06447	3.3
173.05934	2.9
175.03940	0.9
177.06625	24.9
179.03395	0.6
183.06532	1.5
187.05028	26.0
187.07446	3.4
191.07051	1.6
192.05382	1.7
197.06007	2.7
202.07474	0.8
203.08206	11.0
205.08511	1.1
209.08148	0.8
215.06964	2.9
215.08548	1.0
229.09727	45.4
233.08118	4.0
239.08235	1.6
241.09648	1.4
265.09702	2.4
291.11417	1.5
309.08725	6.6
309.12119	1.2
327.09726	8.9
333.12329	1.1
341.11377	2.7
343.11087	0.8
351.13217	0.9
361.11813	7.7
379.12881	57.7
393.14490	8.5
397.13940	46.8
411.15500	32.0
429.16565	7.8
433.18219	0.6
443.55405	0.6
559.19122	0.9
591.22784	1.1
591.42114	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	591.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50399	0.4
56.96569	0.8
61.02927	0.5
69.03435	1.1
70.06583	1.1
71.48852	0.8
72.08155	0.6
74.76595	0.4
81.03403	0.8
81.07048	0.6
83.05000	0.4
84.08160	0.6
85.02913	2.3
86.09708	1.0
91.93082	0.5
97.02898	1.0
98.97584	0.8
107.04951	0.6
109.73468	0.6
116.98624	0.9
121.54436	0.4
127.03925	0.5
145.04997	1.0
146.99661	0.5
163.03976	0.5
177.00697	0.4
192.74643	0.5
203.05322	1.4
209.15303	0.9
216.32771	0.5
312.97253	0.5
345.58710	0.5
411.19904	4.2
429.20251	0.6
591.26282	100.0
592.26746	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	591.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.0
55.01883	12.3
55.05501	16.0
57.03433	26.7
59.06126	2.8
61.02615	4.1
61.02926	59.0
65.03947	4.6
65.10429	2.1
65.35152	2.3
67.01862	2.3
67.05507	25.5
69.03428	41.4
69.07063	7.6
70.06584	6.4
71.01344	6.9
71.04992	7.7
72.08141	3.2
73.02921	27.5
79.05502	24.2
81.03418	100.0
81.07052	25.1
83.04984	16.9
83.08617	22.6
84.04494	3.4
84.08141	4.1
85.02905	87.1
85.06593	2.1
86.09696	3.5
87.04462	4.1
90.37382	2.0
90.52300	2.4
91.03955	39.6
91.05476	27.4
93.07036	15.0
95.01331	2.9
95.04964	47.7
95.08600	8.3
97.02892	75.9
97.06517	5.9
97.10187	7.6
98.21473	5.1
99.04462	8.5
101.02382	10.1
103.03950	13.2
103.05470	2.9
105.07039	23.4
107.04940	20.9
107.08607	11.8
109.02875	20.5
109.06524	8.5
109.10168	5.6
111.04425	12.8
111.08086	7.0
115.03927	5.4
115.05493	3.1
117.05489	3.9
117.07028	7.0
119.04939	4.0
119.08574	17.6
121.06512	8.5
121.10134	8.1
123.04415	13.8
123.11740	2.8
125.09647	3.7
127.03910	32.9
129.05463	7.5
129.06982	8.0
131.04938	5.7
131.08556	11.9
133.06480	6.2
133.10124	15.6
135.04393	2.8
135.08057	7.2
135.85658	2.2
137.05995	5.1
137.09604	3.4
143.08559	4.4
145.04955	12.1
145.06332	2.0
145.10129	9.7
147.04414	9.3
147.08038	5.7
147.11676	14.2
149.05942	4.0
149.09647	6.0
157.10120	8.7
159.11603	2.1
161.06053	3.5
161.09644	2.7
163.06009	3.6
163.07845	5.4
163.11179	14.3
165.12790	5.3
167.06966	3.1
171.04388	3.7
171.06680	2.3
171.11716	5.3
173.06052	2.6
173.09589	3.1
175.11145	9.6
183.06541	9.3
185.13243	3.7
189.05420	5.2
189.11186	3.5
189.12733	7.0
191.14323	5.3
193.12238	38.7
201.07646	3.5
205.12315	2.7
207.13837	5.2
211.13275	45.2
211.15077	4.2
217.12280	4.0
227.12653	4.8
229.14438	6.7
235.13283	37.7
244.10545	4.3
249.14975	11.1
251.11246	3.3
253.14352	9.4
259.13266	14.0
267.15918	33.2
269.12369	10.3
273.14832	22.6
277.14334	8.8
283.13226	5.9
285.16910	23.0
289.14304	4.5
291.16028	3.2
295.15311	3.5
301.14273	24.1
309.16940	34.8
313.16403	3.3
319.15445	6.9
322.60300	2.5
333.16824	2.5
337.16501	8.1
347.18259	2.3
351.18051	6.5
355.17419	4.9
356.02020	2.7
357.17242	2.5
363.18152	3.2
375.17966	24.6
386.02966	2.7
393.19147	21.0
411.20093	23.6
429.21487	13.4
446.34912	2.1
453.21545	4.1
481.94254	2.1
519.21979	3.6
591.26221	8.6
615.44214	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	592.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05508	3.3
56.05038	1.9
57.07083	1.0
60.04526	1.7
67.05505	10.2
69.03423	3.7
69.07052	2.2
69.55692	7.3
71.04981	2.4
79.05493	10.5
80.05042	2.4
81.03391	2.4
81.05799	1.4
81.07061	10.3
82.06564	4.4
83.08627	1.5
85.02917	1.5
85.06564	1.9
87.04482	1.9
91.05473	5.2
93.07047	17.9
94.06568	18.3
95.04971	2.5
95.08597	17.3
96.08125	3.3
97.06527	3.6
97.10201	1.0
105.07015	10.6
107.07327	2.9
110.09655	9.6
111.08065	13.6
122.09663	28.8
123.08067	29.9
123.08969	1.6
128.10718	28.9
140.10699	100.0
141.09088	11.3
158.11771	6.6
161.00711	1.0
165.71558	1.0
167.93814	0.9
189.89458	1.0
203.32811	1.0
272.25861	7.1
279.94321	1.1
312.17523	1.2
364.31754	1.2
376.32071	1.6
382.33185	9.8
382.89352	1.2
394.33115	20.5
412.34177	62.0
526.73383	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	592.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67762	1.0
53.03943	2.2
55.01859	1.6
55.05517	5.8
56.05035	2.3
56.96560	2.2
57.03427	2.1
57.07064	2.3
60.03254	0.9
60.04516	1.6
61.02921	1.2
67.05506	11.8
69.03423	3.5
69.07068	6.9
70.06579	1.7
71.04982	2.4
71.08619	1.3
71.50044	1.9
77.03972	1.0
79.05499	15.4
80.05007	3.3
81.03401	4.2
81.05789	2.7
81.07053	16.5
82.06574	3.2
82.98684	1.0
83.04978	2.3
83.08615	3.8
85.02891	4.5
85.06554	1.8
87.04493	1.1
91.05482	3.9
93.07040	16.5
94.06570	23.8
95.04971	4.0
95.08612	20.1
96.08121	3.9
97.02908	1.9
97.06528	8.4
97.10180	2.6
105.07037	13.6
107.07327	4.0
107.08553	2.3
109.10158	2.8
110.09676	7.6
111.08065	8.3
121.10144	2.2
122.09668	52.5
123.08057	21.2
123.11724	1.2
128.10724	20.1
131.08574	1.0
133.10120	2.0
135.11755	1.2
136.06227	1.3
139.11176	1.2
140.10703	100.0
141.09099	10.5
143.08630	1.2
149.13182	1.2
158.11777	11.2
171.97433	1.1
172.21947	1.1
182.34633	0.9
237.22192	1.7
254.24817	2.0
255.23125	1.1
272.01453	1.0
272.25824	4.0
283.08258	1.2
308.29517	1.4
364.32190	1.9
364.44513	1.2
365.16284	1.7
376.32159	2.9
382.33264	2.1
394.33157	30.4
412.34210	98.4
413.34351	2.1
539.86401	1.1
593.23584	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	592.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	28.7
57.03441	18.5
57.07080	36.8
58.05653	2.7
59.04991	3.1
67.05505	56.2
69.07082	12.2
69.92601	4.3
69.93006	9.9
71.08636	26.9
73.15018	2.4
79.05499	17.3
81.03422	2.8
81.07058	27.1
83.08619	20.6
85.02910	19.4
85.06542	3.2
85.10199	15.3
87.04480	10.3
91.05486	4.5
93.07067	3.4
95.08604	23.4
97.10175	25.6
98.20877	3.7
107.08599	10.8
109.10165	43.2
111.08126	3.0
123.11736	4.7
125.09627	24.6
130.37991	2.4
135.11769	3.2
143.10660	5.8
155.10669	4.3
156.70778	2.4
159.91429	2.5
173.11745	15.0
199.13342	18.7
219.75832	2.7
227.12828	6.3
229.14355	56.4
239.23743	7.2
297.49039	2.6
301.16428	12.7
313.27362	100.0
351.75278	3.0
437.36273	4.3
445.20636	3.2
455.37335	10.8
467.37378	20.2
533.25458	8.1
539.39490	5.0
592.39099	2.9
593.27716	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	592.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	27.7
57.03436	8.7
57.07072	28.2
65.66819	10.0
65.69908	7.5
67.05511	60.4
69.07070	18.4
70.81274	18.2
71.08643	21.2
79.05492	14.1
79.06324	7.6
81.07052	29.5
81.21210	9.1
82.57534	7.3
85.02930	15.0
85.10201	13.4
87.04493	10.8
91.05470	9.0
95.08610	27.7
97.10172	33.7
98.01575	7.7
109.10173	52.3
112.11646	10.0
125.09647	22.1
171.99409	8.7
173.11761	16.8
199.13310	15.8
229.14397	41.0
301.16354	16.9
313.27377	100.0
314.27866	8.8
418.17612	8.2
421.51279	8.1
455.37009	11.7
467.37262	23.9
520.70111	8.9
586.42010	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	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.4
57.03433	1.4
57.07066	3.1
67.05510	5.4
69.07059	1.3
69.47855	6.0
71.08628	2.7
78.91315	0.8
79.05477	1.2
81.07047	2.9
83.08595	2.1
85.02907	1.4
85.10198	1.1
87.03912	0.8
87.04458	1.2
89.27754	0.8
95.08612	2.2
97.10166	1.9
109.10160	3.2
110.10428	0.9
119.17230	0.9
125.09660	2.6
125.13294	0.8
153.52235	0.8
229.14465	2.7
301.16537	1.2
313.27362	5.7
314.27795	3.4
377.03271	0.9
389.17731	1.1
401.18045	1.0
403.19196	4.0
405.20645	1.0
416.20300	1.1
417.20847	3.6
418.21777	2.6
419.22302	3.6
430.17822	1.4
431.18265	6.9
432.23740	1.4
433.24088	5.8
434.24533	1.2
445.19742	8.1
446.21027	3.7
447.21921	3.5
459.21878	2.7
460.22604	8.3
461.23166	9.5
473.23468	1.3
476.25827	1.0
487.25269	2.0
505.21616	3.9
508.21738	1.1
533.25464	38.3
534.25903	1.0
593.27582	100.0
594.28009	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	593.2757
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.00743	0.6
67.05531	0.7
69.95455	3.4
76.21186	0.7
79.01950	0.6
86.54772	0.7
96.08199	0.7
130.27428	0.6
155.14954	0.7
388.17120	0.7
389.17526	0.9
401.17972	0.8
403.19455	3.1
405.20688	2.2
416.16342	0.9
417.21439	3.6
418.21564	0.8
419.22574	4.9
430.17328	1.1
431.18262	8.2
432.19528	2.3
433.24347	5.0
434.24677	1.7
445.20001	8.0
446.21109	2.9
447.21927	5.4
449.23276	1.0
459.21271	3.4
460.22559	10.9
461.23257	8.8
463.21191	0.7
473.23917	1.4
487.24649	0.8
491.24191	0.9
492.25183	1.2
505.21988	5.8
519.23932	0.8
533.25500	26.0
534.25592	1.2
593.27582	100.0
594.27496	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	593.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.05511	5.4
56.96562	3.7
57.07078	3.9
61.02914	2.5
65.03938	2.5
67.05512	20.9
69.03432	15.7
69.07063	3.5
69.61545	1.2
70.02956	7.3
71.04996	2.5
73.02926	2.2
79.05487	4.2
81.03403	5.7
81.07053	13.1
81.63377	1.4
83.04937	3.0
83.08620	2.0
84.08179	1.6
84.96035	1.4
85.02908	45.8
85.06545	8.8
86.09663	2.0
87.04468	1.3
91.05485	7.1
93.07073	8.6
95.04987	5.0
95.08608	60.1
96.08898	1.8
97.02890	9.8
98.21478	1.6
98.97599	11.9
99.04442	5.1
101.85324	1.5
103.05447	2.5
105.07022	20.9
107.04955	1.7
107.08611	9.0
108.95342	1.4
109.02875	4.8
109.06512	6.5
109.10156	21.4
110.97593	2.3
111.04439	2.3
111.08053	1.7
113.05994	7.4
116.98598	6.7
119.07738	1.6
119.08585	28.4
121.06514	3.3
121.10144	13.3
123.08065	28.8
123.11705	44.0
125.05972	11.2
126.13689	1.3
127.03922	21.6
128.98634	3.2
131.08557	5.0
133.06499	4.0
133.10136	6.4
134.99638	3.0
135.11690	7.5
136.12047	1.4
137.09596	3.9
137.13257	1.2
139.07446	1.6
145.04977	6.7
145.10159	6.7
146.99667	3.7
147.08037	3.8
147.11682	31.4
149.09618	30.5
150.09937	1.7
151.07562	12.2
151.14824	3.1
155.08354	1.6
156.09399	2.9
158.99689	4.3
159.08044	3.3
161.09630	2.2
161.13248	12.1
163.11162	7.4
165.09218	1.4
165.12782	7.4
167.10687	7.7
169.08572	1.8
171.11703	4.6
174.10437	7.3
175.11188	2.1
177.00719	1.4
179.14314	3.4
189.12747	54.7
190.13173	2.1
197.01158	1.7
197.08093	6.6
207.13800	100.0
208.14226	3.7
214.03384	1.5
218.08582	1.5
219.01810	5.1
225.14854	16.8
237.02824	15.4
239.02284	3.2
251.09256	2.1
269.03345	3.3
281.10724	2.3
287.04416	5.1
307.13910	2.7
309.14014	1.9
311.04526	2.5
319.11191	5.2
319.61328	1.5
323.11520	3.6
333.16946	28.3
347.04559	1.6
351.18069	41.6
369.19064	18.3
387.20248	4.6
395.06467	6.8
395.25696	2.0
399.18652	1.6
399.68851	2.4
400.13785	3.7
400.64017	2.4
406.17343	8.2
413.07559	23.3
413.26672	1.5
414.07892	2.5
414.16965	2.3
425.14807	5.6
431.08676	2.6
432.16351	1.7
441.12244	4.8
593.22693	8.3
593.32660	3.1
594.22076	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	594.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01860	2.2
55.05508	8.2
57.03429	4.6
57.07068	2.6
61.02919	5.6
65.03945	2.1
67.05505	21.8
69.03425	11.5
69.07068	7.4
70.06587	8.2
71.04982	2.2
71.49245	2.9
72.08151	4.1
73.02921	2.6
77.03928	1.9
79.05489	18.3
81.03434	4.5
81.07055	91.4
83.04967	3.4
83.08618	4.2
84.08125	4.3
85.02905	51.2
85.06539	2.1
86.09702	8.0
90.14003	1.7
91.03939	2.7
91.05477	13.0
91.68843	1.5
93.07042	21.9
95.04968	7.5
95.08604	47.7
97.02886	13.9
97.06520	8.7
97.10193	4.2
99.04465	3.8
100.07635	2.1
100.73314	1.7
105.06332	2.9
105.07030	36.1
107.04974	2.7
107.08595	35.9
109.02874	5.4
109.06516	4.0
109.10151	18.0
111.04470	2.3
111.08070	1.9
113.06020	3.0
117.07004	2.0
119.08582	54.0
119.09393	3.8
120.08125	3.4
121.06535	2.5
121.10126	19.0
123.08044	3.4
123.11703	31.6
127.03917	13.4
129.10216	2.5
131.08562	4.9
133.06581	2.0
133.10141	33.1
135.08081	2.0
135.11691	23.1
136.07596	2.3
136.12447	1.9
139.07550	2.1
143.08589	3.5
145.04953	26.7
145.06139	2.7
145.10124	3.9
147.11697	17.5
149.13313	2.0
151.03958	1.9
153.09171	4.9
157.10152	4.4
159.11705	8.0
161.06062	2.5
161.09653	4.2
161.13258	54.9
161.96487	1.8
163.03943	6.7
163.06010	14.8
165.05486	3.3
165.09113	4.0
167.07079	4.2
173.13205	2.4
175.14832	4.3
179.10620	2.8
181.04979	1.7
189.12706	3.0
189.16383	100.0
191.07031	2.3
199.14862	3.9
217.15858	26.9
235.16930	85.2
278.34451	1.9
302.89389	1.9
310.99088	1.8
325.11398	3.6
342.53171	1.8
343.19159	2.4
361.20514	2.7
378.59787	1.9
379.21127	2.5
402.10349	2.0
420.11954	3.8
447.81244	1.9
594.29407	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	594.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61222	3.3
51.16376	2.7
55.01875	5.6
55.05510	22.3
55.20620	3.2
56.96551	3.6
57.03434	12.4
67.05510	39.1
69.03436	7.2
69.07066	11.9
70.63382	9.6
71.04980	5.9
76.48563	2.8
79.05499	33.7
81.03423	75.9
81.07050	24.5
83.04985	7.8
83.08613	19.5
85.02904	6.2
91.05467	28.9
93.07037	20.0
95.04961	30.5
95.08607	18.8
97.06522	9.4
97.10143	21.0
99.73728	2.8
105.07031	18.6
107.04957	16.6
107.08578	16.9
109.06516	12.5
109.10168	10.2
111.08085	7.3
115.41893	2.7
117.07021	3.5
119.08571	17.0
121.06499	9.0
121.10140	10.7
123.08048	4.1
123.11692	3.0
125.09617	17.2
129.07031	9.7
131.08556	17.2
133.06483	7.6
133.10127	16.0
135.08034	7.1
135.11688	5.1
137.09570	2.8
139.11156	4.4
143.08630	3.3
145.06519	4.8
145.10101	8.9
147.08070	4.3
147.11703	8.0
149.09633	6.7
151.07602	3.9
151.11169	4.8
153.09100	4.1
155.08542	3.5
157.10165	12.0
161.09616	4.5
163.11130	3.5
173.13240	3.5
175.11229	8.7
177.12817	4.8
189.11217	6.8
193.12222	23.0
195.11748	3.7
219.13696	4.1
233.15334	6.7
241.14343	3.2
243.13882	3.2
267.15921	49.5
273.14810	8.2
293.17456	4.1
317.16019	10.6
339.23019	3.1
349.21744	7.6
367.22711	28.5
385.23743	38.4
403.24771	10.9
441.26355	8.8
459.27438	100.0
477.28445	90.7
491.30121	12.4
509.27472	6.7
576.23834	5.8
595.08496	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Datiscin
Peak:m/z	Relative Intensity
52.44083	0.3
53.03936	0.3
55.05505	0.4
57.03440	1.7
61.02920	0.8
68.99831	0.3
69.03419	1.4
69.45238	2.5
70.06586	0.8
71.04615	0.5
71.04993	10.4
75.04470	0.5
76.21540	0.3
79.05496	0.5
81.03381	0.7
83.04955	0.7
84.08154	0.5
85.02905	14.3
86.09707	0.4
91.05457	0.8
95.04964	0.4
97.02885	1.0
107.04951	1.1
109.02905	0.6
111.00800	0.7
111.04461	0.6
115.05503	0.3
120.08127	0.3
121.02878	1.3
127.03918	1.2
129.05486	4.0
133.02858	0.6
135.04346	0.3
135.70616	0.3
137.05963	0.4
140.36642	0.3
145.04938	1.0
145.06503	0.4
147.04376	0.9
147.06500	0.8
153.01836	2.9
159.70294	0.4
165.01863	1.2
165.05476	0.8
167.07053	1.2
173.05891	0.3
175.03813	0.4
181.04944	2.5
183.02914	1.0
185.06023	0.4
213.05461	0.9
215.07013	0.5
216.04555	0.4
224.17081	0.3
231.06477	0.8
235.09764	0.4
235.83974	0.4
241.04924	0.5
248.93814	0.3
258.05197	0.8
259.06131	0.4
287.05496	100.0
288.05768	2.2
313.92596	0.4
329.06738	0.5
385.12854	0.8
416.14740	2.3
428.44931	0.3
444.89584	0.4
449.10605	0.6
595.10730	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	595.166
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03929	0.4
55.05502	0.4
57.03433	1.8
59.04974	0.3
60.23562	0.3
61.02926	1.6
67.05506	0.4
67.13045	0.3
68.99780	0.9
69.03410	1.2
69.20965	0.8
69.21371	2.2
70.06599	1.9
71.04616	0.6
71.04991	9.9
72.08144	0.7
73.02906	1.0
79.05486	0.5
81.03427	0.8
81.07039	0.3
83.04964	0.9
84.04496	0.4
84.08135	1.1
85.02905	14.5
86.09696	1.3
87.04482	0.6
91.03947	1.2
91.05508	0.4
95.04958	0.8
95.08599	0.4
97.02895	1.7
97.06514	0.7
103.05562	0.4
107.04961	1.7
109.02857	2.3
111.00783	0.5
111.04446	0.6
117.94156	0.3
120.08089	0.6
121.02863	2.4
121.06535	0.3
121.34019	0.3
123.04424	0.4
127.03918	1.0
129.05476	3.1
129.10281	0.4
132.21179	0.3
133.02852	0.5
137.02325	0.8
139.03915	0.9
140.77304	0.3
144.75479	0.3
145.04893	0.5
145.06578	0.4
147.06519	1.1
149.05946	0.5
151.03946	0.5
153.01831	2.6
153.05565	0.4
165.01863	1.5
165.05507	0.9
167.07039	1.3
177.05547	1.4
181.04979	1.5
183.02875	0.5
183.06470	0.6
195.06522	0.4
205.08405	0.4
209.08089	1.2
213.05443	1.1
233.08116	0.5
241.04997	0.5
247.55960	0.3
258.05203	0.8
259.06277	0.4
259.09372	0.3
287.05493	100.0
288.05884	1.7
294.80713	0.3
299.05414	0.4
325.06870	0.4
329.06403	0.6
333.11978	0.6
333.62128	0.4
353.06534	0.4
403.13797	0.6
415.14078	0.4
449.10965	0.3
595.20569	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	595.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
55.01855	2.9
55.05501	7.2
57.07067	2.1
59.05007	5.0
61.02917	3.0
61.72277	2.0
62.02819	1.8
62.89146	1.8
65.03938	2.5
67.05511	11.5
67.05800	1.9
69.03426	26.0
69.07064	6.2
69.70906	11.9
70.06580	2.1
71.01364	2.2
71.04984	7.2
73.02895	2.0
79.05495	30.2
81.03416	17.1
81.07046	16.2
83.01338	3.9
83.04969	6.1
85.02905	54.5
87.04467	3.4
91.05466	27.5
93.07032	16.5
95.04971	16.8
95.08596	17.3
97.02888	16.5
97.06516	3.0
98.21455	2.7
99.04428	6.8
103.05474	9.3
105.04559	2.5
105.07033	80.4
107.04959	79.2
107.08581	14.3
108.05302	2.1
109.02864	23.8
109.06521	23.5
109.10171	26.6
109.42631	2.0
110.43022	2.1
111.04438	8.9
113.06053	3.0
115.05505	2.6
117.06998	8.4
119.04998	2.3
119.08582	79.4
121.06536	14.0
121.10141	20.9
123.04457	3.4
123.08060	12.6
123.10857	3.3
123.11709	54.4
125.05982	15.7
127.03918	18.1
129.07047	2.4
130.07768	3.1
131.04968	3.4
131.08562	6.9
132.09326	3.2
133.06508	4.6
133.10083	2.8
135.04411	7.2
136.34387	1.9
137.05980	3.2
137.09575	4.1
139.03911	33.1
139.07558	4.5
141.05489	2.4
145.04971	8.3
145.10133	18.1
147.08067	6.2
147.11687	100.0
149.05972	17.8
149.09625	17.6
151.03906	10.6
151.07555	15.7
153.05476	5.2
156.09351	5.9
159.04419	4.2
163.11195	6.3
165.05486	74.6
165.12761	7.2
166.05815	3.3
167.07034	51.0
167.10699	9.1
168.07430	2.4
171.11693	6.2
174.10399	3.4
177.05479	32.6
181.08583	2.6
183.06487	2.3
188.51968	2.1
189.12755	37.5
191.07118	3.7
195.06497	7.7
203.04047	3.1
207.13802	83.9
209.08096	37.2
213.33281	2.2
225.14824	16.2
227.09180	18.2
228.24802	2.1
232.92735	2.3
238.07610	6.2
239.07640	3.9
244.89827	2.3
251.09164	6.8
264.40256	2.3
277.10855	3.0
287.05881	3.2
291.15842	3.8
305.07062	2.3
309.04745	2.5
333.16949	48.2
351.13724	4.0
351.18021	71.8
363.17963	3.8
369.19083	17.2
401.19516	7.8
430.12442	3.0
433.22235	16.3
435.16608	3.2
471.13568	3.1
548.64215	2.4
576.79163	2.2
577.25983	3.9
595.27832	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	595.287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74860	1.9
51.87749	1.7
53.03955	4.8
55.01883	4.3
55.05513	6.8
56.05043	2.2
57.03444	4.5
58.82925	2.1
61.02939	5.1
64.26057	2.2
65.03963	3.8
67.05509	9.4
68.05065	2.0
69.03440	15.5
69.07078	5.4
70.06594	19.7
70.40879	7.5
71.01355	3.4
71.05006	5.8
72.08173	8.5
73.02929	2.1
79.05489	16.0
80.05048	2.0
81.03430	11.7
81.07059	24.3
82.06591	9.6
83.05008	4.0
83.08648	4.0
84.04508	4.7
84.08129	9.7
85.02914	21.4
86.09708	16.2
87.04491	3.1
91.05488	13.0
93.07063	8.3
95.04990	21.0
95.08624	6.2
97.02892	10.8
97.06541	18.1
98.06067	5.6
98.66151	2.4
98.97619	2.2
99.04482	3.9
100.07623	99.7
101.07178	2.7
102.05586	3.8
103.03976	4.8
103.05504	5.9
103.61054	2.0
105.03432	6.2
105.07065	8.8
107.04963	25.0
107.08593	4.5
108.08133	4.5
109.02881	12.8
109.06551	6.9
109.10188	4.4
111.04453	4.1
112.07597	2.6
115.05489	3.8
116.98647	2.1
117.07070	6.0
119.04953	2.6
119.08606	4.8
120.08150	5.4
121.06522	5.8
121.10171	2.2
123.04411	11.5
123.08090	3.2
123.11744	2.9
124.04005	5.9
124.07603	2.7
124.11234	13.5
126.09161	60.7
126.10027	3.5
127.03944	6.5
129.07056	2.2
129.10295	5.9
131.04959	7.2
132.08127	2.7
133.06519	2.6
133.08963	2.6
133.10092	2.9
134.09653	4.4
135.04462	6.4
136.07613	8.4
137.06029	9.5
138.09149	13.0
139.03908	19.1
141.05544	2.1
145.04988	4.8
145.06461	3.9
145.10121	2.5
147.04527	4.0
147.11697	2.7
149.06030	7.4
150.09171	4.5
151.03889	14.7
151.07591	5.4
152.10716	39.4
152.11874	2.9
153.05450	2.4
155.08415	2.2
157.10085	2.0
159.04427	4.1
160.07669	4.1
161.06036	5.5
161.08403	3.8
161.13321	2.2
163.03989	8.4
163.07549	2.5
165.05490	100.0
167.07062	33.2
173.06085	3.6
177.05478	14.4
178.08682	11.4
178.12309	16.4
179.07115	2.5
181.04987	24.7
181.08490	2.8
183.06584	3.9
189.05701	2.5
190.12332	2.7
191.07082	7.1
192.07727	2.6
192.10258	4.8
203.06880	2.2
204.10182	12.9
204.13759	2.4
205.08675	3.4
206.08138	22.3
206.11737	12.6
207.08966	2.3
208.13455	5.6
209.08041	13.5
210.11354	7.8
214.12332	5.1
215.07100	4.8
232.09660	4.6
232.13242	11.3
233.08173	2.2
235.09619	3.9
235.14517	6.3
237.05412	2.7
238.10753	5.3
249.16107	6.5
255.06488	2.0
259.09756	6.5
264.12329	2.4
276.12390	7.1
284.12943	2.4
290.13983	7.0
300.17017	2.6
302.13882	8.2
303.16931	3.2
307.09656	2.3
308.14960	98.2
316.15436	3.6
331.16547	5.8
331.20154	4.6
334.16516	31.3
339.12186	2.4
348.25400	2.3
383.19669	2.5
385.12885	5.7
398.13312	3.0
401.20767	17.3
415.13776	4.0
415.22122	4.6
416.14548	16.2
433.23386	36.3
435.91309	1.9
470.20264	77.4
496.21820	22.9
563.26093	12.9
595.20386	10.7
595.29822	2.7
610.34790	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	596.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46361	2.0
53.03935	3.3
55.01862	8.6
55.05511	62.2
57.03436	22.4
57.07081	1.9
58.47145	1.9
59.04985	9.9
59.27060	1.8
60.11497	2.2
61.02906	4.1
65.03922	4.1
67.05505	100.0
69.03411	5.0
69.07052	15.7
70.70265	2.9
70.70603	4.6
71.01338	4.0
71.04973	4.2
73.02908	4.7
75.04440	2.5
79.05493	30.8
81.03419	16.3
81.07058	34.1
83.04985	10.1
83.08162	2.5
83.08613	20.5
85.02907	27.0
85.06550	4.9
87.04464	7.2
91.03932	3.2
91.05489	15.9
93.07043	15.9
95.04954	9.4
95.08593	17.7
97.02880	7.8
97.06519	5.8
97.09575	3.2
97.10166	44.0
103.03938	14.4
105.07011	6.7
107.04932	5.3
107.08597	20.4
109.06494	4.8
109.10156	85.1
111.04430	4.4
111.08086	6.3
117.06931	3.2
119.08584	14.0
121.10113	4.0
123.08084	3.5
125.05977	2.3
125.09630	48.1
131.08551	4.7
133.10139	2.3
135.11678	9.3
137.09633	4.4
143.10658	11.1
145.10089	6.5
149.09583	3.4
153.12741	16.2
155.10652	9.4
163.11195	14.2
173.11726	48.4
181.12198	6.2
189.06842	2.5
189.11208	2.9
191.10657	6.4
193.12253	4.2
199.13232	12.1
209.11734	12.0
217.14368	6.5
227.12808	17.4
229.14330	75.9
245.13866	3.0
257.13867	26.7
283.15350	17.5
301.16443	43.4
319.17493	10.3
539.10486	2.5
542.56628	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	596.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58826	1.2
53.03942	3.2
55.01878	8.8
55.05511	53.1
57.03437	17.4
57.07058	2.2
59.04984	5.9
61.02925	6.6
63.86789	1.1
65.03941	2.4
67.05505	100.0
69.03426	5.5
69.07069	14.6
69.95815	5.9
71.01362	2.6
71.04990	7.4
72.21588	1.1
73.02907	3.2
75.04470	2.3
79.05492	26.7
81.03418	17.3
81.07054	35.6
83.01336	1.5
83.04983	11.1
83.08619	22.0
85.02907	23.8
85.06542	4.5
87.04483	8.5
91.03971	1.9
91.05482	15.3
93.06487	2.0
93.07033	16.5
95.04972	8.3
95.08605	15.8
97.02881	12.3
97.06542	6.3
97.10168	29.0
99.04443	2.1
99.08096	2.1
103.03934	11.0
105.07045	6.0
107.04952	6.4
107.08593	17.9
109.06459	3.1
109.10156	77.4
111.04453	2.8
111.08100	5.5
112.06493	1.2
117.07022	4.0
119.08576	13.0
121.06475	2.1
121.10127	5.9
123.08091	3.3
125.09634	36.7
127.03896	2.6
129.06992	2.0
131.08604	3.9
133.10130	3.5
135.08055	2.0
135.11700	4.7
137.09627	3.4
139.11142	1.5
143.10640	6.1
145.05060	1.3
145.10129	8.2
147.08072	2.1
147.11729	1.3
149.09631	3.6
153.12817	6.1
155.08545	1.6
155.10629	6.6
157.10124	1.4
163.11183	17.3
173.09569	2.5
173.11728	38.2
175.11177	2.9
177.89565	1.1
179.97136	1.1
181.12198	7.7
191.10695	5.3
193.12291	3.0
199.13278	12.6
209.11722	10.0
211.13182	1.7
217.14444	3.2
227.12767	12.5
229.14351	55.8
236.25925	1.3
243.76031	1.3
245.13910	3.7
257.13831	39.0
267.15857	2.5
268.10620	1.3
283.15372	10.9
301.16443	29.8
303.05005	2.2
319.17508	5.2
399.23502	2.3
404.55505	1.2
405.59863	1.3
461.68561	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	597.1449
Annotation	Quercetin 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03949	0.9
55.01859	0.7
57.03443	3.4
59.05005	0.7
61.02917	2.5
61.26588	0.7
68.99783	0.9
69.03440	3.6
70.65546	1.1
70.65894	1.5
71.01344	0.9
73.02921	6.5
79.05494	1.4
81.03410	1.3
85.02908	6.6
90.42459	0.6
91.05466	0.7
95.04961	1.9
97.02905	4.9
103.05474	1.3
105.07022	1.4
106.07419	0.8
107.04967	5.7
109.02870	7.3
115.03929	3.0
119.08601	1.2
121.06460	1.3
125.02353	0.9
127.03932	1.9
135.04457	1.2
137.02322	3.0
139.03900	1.4
145.04959	1.6
147.11700	0.7
149.06023	1.9
151.03943	1.6
153.01825	3.8
163.03922	0.7
165.01836	1.4
165.05487	6.4
167.07100	1.8
177.05508	5.6
177.06839	1.1
195.06535	1.2
201.05507	1.6
209.08145	3.2
227.09030	0.9
229.05029	3.4
257.04495	2.6
274.04425	1.1
285.03976	1.4
303.04996	100.0
304.05472	1.0
345.05847	2.2
447.09848	0.9
465.09851	1.0
554.78223	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	597.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.2
53.03939	4.0
55.01870	2.2
56.96545	1.4
57.03437	2.0
59.04990	5.9
61.02914	2.3
65.22619	1.3
67.05493	4.6
69.03427	6.9
70.06583	4.4
71.01331	3.1
71.43421	1.5
73.02925	2.1
79.05491	18.4
81.03421	9.1
81.07047	2.7
83.04974	3.5
85.02897	9.5
91.05478	7.4
91.80499	1.2
93.07048	7.8
94.04214	1.4
95.04964	20.4
95.08623	1.8
97.02876	4.6
97.06516	2.6
98.97519	1.4
103.05460	8.0
105.03383	2.7
105.07023	3.8
107.04954	75.4
109.02878	100.0
109.06507	4.1
111.04399	3.1
116.98692	1.6
120.08084	2.9
120.10389	1.2
121.06506	18.1
123.04413	5.3
125.02335	8.6
125.06030	1.9
127.03936	3.2
129.10300	1.8
131.04913	4.7
132.84961	1.4
133.02837	3.2
135.04414	5.5
136.07544	1.5
137.05963	4.0
139.03905	26.4
139.07504	1.7
141.05437	1.9
149.05969	22.7
151.03902	19.0
153.05482	2.8
159.04393	3.7
161.05893	1.8
165.05473	81.8
166.05783	1.7
167.07039	22.9
169.43694	1.7
177.05472	77.7
181.04903	2.8
181.08510	1.4
191.07158	3.2
195.06517	18.4
207.13901	1.6
209.06097	2.5
209.08084	49.9
227.09227	7.8
265.09680	2.3
267.11206	1.9
281.09222	1.4
294.09824	1.4
303.04977	29.2
339.10040	5.8
389.13544	3.6
406.82794	1.4
417.14560	3.3
429.07889	1.5
519.86163	1.6
547.15186	3.2
597.22949	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	597.2169
Annotation	Staunoside C
Peak:m/z	Relative Intensity
51.02383	1.3
53.03929	2.5
55.01861	1.8
58.64130	0.8
59.04993	5.8
67.05505	4.8
67.86787	0.8
69.03432	5.6
71.01341	2.5
73.02901	1.2
77.03907	1.6
79.05495	16.5
81.03419	6.8
81.07059	1.6
83.04967	2.3
84.51091	1.0
85.02898	2.8
91.05489	7.0
93.07048	7.2
95.04969	20.2
95.08609	1.4
97.02874	4.1
98.21540	2.7
103.05456	9.6
105.03357	1.3
105.04524	1.3
105.07043	1.5
107.04953	74.8
109.02875	100.0
109.06504	5.6
111.04443	3.2
121.06488	15.2
123.04434	7.3
125.02346	9.1
125.06013	1.2
127.03892	3.7
131.04945	4.9
133.02820	2.8
135.04414	5.2
137.05952	2.0
139.03897	28.6
139.07497	2.0
141.05444	1.4
145.04951	1.7
147.04451	1.1
149.05977	23.1
151.03900	22.0
153.05438	2.8
159.04379	4.5
165.05473	81.6
166.05733	1.3
167.07019	21.1
177.05466	76.0
181.08578	2.0
183.06459	1.9
191.07091	1.3
195.06508	14.9
197.14183	1.0
206.06020	0.9
209.08080	54.0
227.09109	5.5
321.09555	1.8
339.10571	2.1
379.73840	1.0
438.88620	1.1
473.91910	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	597.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55406	1.0
51.02373	0.9
53.03941	4.1
54.00170	0.8
55.01871	1.6
55.05502	1.0
56.22120	1.0
57.03415	1.1
59.05009	5.9
64.27412	0.9
65.03927	1.2
67.05511	4.5
68.02644	0.9
69.03419	4.2
71.01349	1.6
71.04979	1.8
71.46239	0.8
73.02881	1.0
79.05498	15.0
81.03409	9.4
81.07058	1.9
83.04977	1.9
85.02895	4.2
87.04436	1.5
91.05489	6.9
93.07036	7.3
95.01325	1.2
95.04971	17.2
95.08622	1.3
97.02875	4.4
97.06519	1.4
98.21581	1.5
103.05471	8.6
105.03391	1.6
105.07040	1.8
107.04956	75.7
109.02876	100.0
109.06535	5.6
111.04427	3.0
121.06493	14.8
123.04438	6.5
125.02352	8.5
125.06015	1.1
127.03903	4.4
131.04922	5.7
131.45711	1.0
133.02841	1.4
135.04424	4.2
137.05997	1.9
139.02823	1.9
139.03896	32.9
139.07494	1.5
141.05450	1.8
145.04970	1.5
149.05975	22.9
151.03894	21.9
153.05478	3.0
155.45973	0.9
159.04436	4.0
165.05476	85.8
167.03436	0.9
167.07042	18.9
167.36594	0.9
175.03859	1.3
177.05472	77.9
181.08565	1.3
181.57971	1.0
183.06558	1.2
191.07054	1.3
195.06557	15.6
209.08092	60.7
227.09119	9.5
289.73413	0.9
295.08197	1.2
321.09555	1.2
339.10590	2.0
378.73740	0.9
605.44379	1.0
615.48010	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	597.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
53.61174	2.6
55.70176	2.6
59.04996	7.7
60.66508	2.6
67.05491	5.4
69.03416	4.2
70.06559	4.3
71.01351	3.1
71.04973	3.0
71.49094	4.0
79.05499	18.3
81.03413	9.8
85.02897	6.8
86.09707	4.1
91.05466	8.4
93.07028	7.5
95.04976	22.1
97.02887	8.1
103.05474	10.8
107.04955	72.2
109.02874	100.0
111.04419	4.9
111.98502	2.8
121.06493	12.4
123.04419	5.7
125.02357	7.1
125.05943	3.2
127.03925	6.7
130.37396	3.0
131.04942	4.4
135.04414	3.5
139.03894	29.8
149.05974	25.8
151.03896	24.1
153.05391	4.2
165.05479	83.6
167.07030	25.2
177.05470	75.7
191.06993	3.0
195.06532	13.7
209.08069	50.7
214.75798	3.0
227.09029	5.1
242.32086	3.0
269.09882	3.0
274.58548	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	597.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03944	3.9
54.48584	0.7
55.01863	2.8
55.05495	1.5
56.96561	0.8
57.03428	1.1
59.04995	7.0
65.03945	0.9
67.05511	4.6
69.03418	3.4
70.63290	1.4
71.01346	3.0
71.04975	1.5
77.03931	1.3
79.05032	1.0
79.05491	20.3
81.03416	9.6
81.07056	3.3
83.04974	3.2
85.02895	3.0
91.05469	7.6
93.06567	1.0
93.07044	8.3
95.01336	1.0
95.04967	22.6
95.05579	1.2
95.08605	0.9
97.02879	3.7
97.06525	4.2
98.06863	1.1
99.04436	1.0
103.03945	1.3
103.05466	9.4
105.03394	1.3
105.04513	1.9
105.07021	2.5
107.04951	81.0
109.02874	100.0
109.06493	6.4
110.66267	0.7
111.04404	3.8
111.08115	1.0
121.06499	15.4
123.04436	7.4
123.05261	1.0
125.02332	5.2
125.05956	1.0
127.03899	3.2
131.04924	6.2
131.05804	1.0
133.02843	2.6
133.06470	0.9
133.10150	0.8
135.04395	5.2
137.05962	2.6
139.03894	31.1
139.07541	1.8
141.05481	2.1
145.05069	0.9
145.10167	1.0
147.04422	1.0
149.05978	24.7
150.06387	0.8
151.03899	21.5
153.05481	3.8
155.03174	0.7
159.04405	3.0
165.05473	85.9
167.07033	24.6
177.05464	74.5
181.04922	1.1
181.08574	1.5
191.07077	1.8
195.06535	13.9
195.08279	1.0
209.08089	54.0
227.09082	5.9
242.08940	0.9
312.13089	1.0
320.13586	0.8
339.10818	1.8
356.16061	0.7
367.17969	1.8
385.18118	0.7
388.17328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3036
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03945	1.9
54.61872	1.1
55.05515	14.3
57.03428	7.6
57.07058	4.1
67.05509	30.6
69.03411	1.8
69.07069	16.9
69.75824	3.8
69.76222	2.5
71.04977	1.5
71.08620	1.4
79.05487	10.9
81.03416	10.5
81.07056	31.3
83.04995	1.8
83.08615	9.7
85.02873	2.1
91.05473	8.6
93.07027	10.4
95.04966	4.5
95.08607	21.6
97.06503	2.8
97.10182	4.7
98.98465	24.0
99.04449	1.5
99.08120	1.5
105.07050	8.4
107.08583	9.8
109.02886	6.5
109.06554	2.2
109.10164	10.8
111.08039	1.3
117.07036	2.5
119.08592	8.5
121.10154	8.6
121.65136	1.2
123.08065	4.1
123.11724	3.4
127.03909	2.4
127.20964	1.3
128.80479	1.1
131.08530	3.3
133.10114	4.8
135.07983	1.4
135.11690	3.4
135.15782	1.3
142.07837	2.2
143.08542	1.9
145.10130	3.6
147.11711	3.0
149.09637	2.9
149.13214	2.2
151.07515	1.5
155.01035	3.6
157.10071	3.1
159.08043	1.2
159.11789	2.0
161.13222	2.4
163.06001	2.0
163.11246	1.3
165.09090	1.7
167.10622	2.3
171.11691	1.7
173.02106	1.6
173.09636	1.7
173.13307	1.3
175.14857	1.7
183.11627	1.5
185.13358	1.4
189.12764	1.6
195.11673	1.6
197.13310	1.3
201.12679	1.4
209.13271	1.5
210.42545	1.1
221.15392	2.5
223.14854	1.3
231.51036	1.2
233.15433	1.8
261.03647	5.7
263.23834	2.4
303.04993	1.3
311.47171	1.5
335.07458	2.2
337.27371	100.0
579.38165	3.3
597.32397	1.2
597.39624	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	598.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
53.54583	0.9
61.02919	2.5
65.03951	1.1
68.79981	1.0
69.03419	3.5
70.06592	2.2
71.10458	2.2
71.10786	1.5
73.02911	1.6
79.05487	4.5
81.03417	13.3
81.07053	1.7
83.99190	1.3
84.08128	1.4
85.02911	13.8
86.09697	1.7
91.05471	4.2
93.03352	1.4
95.05000	3.1
97.02907	4.2
97.06545	1.9
103.05468	2.6
105.07024	6.7
106.04166	1.8
107.04954	10.5
109.02859	1.2
109.06577	1.3
111.20837	1.0
115.05429	6.9
117.07008	14.7
119.08611	1.5
121.06532	2.1
123.04441	3.5
124.05177	2.5
127.03882	2.0
129.07002	2.6
131.04941	7.3
131.08580	4.0
132.05695	7.4
133.06487	6.2
133.10156	1.1
135.04427	1.4
135.11674	1.7
137.05962	2.7
144.05664	1.5
145.05002	3.6
145.06483	33.6
147.04410	2.0
148.05252	1.4
149.05981	2.1
155.06056	2.6
156.05695	5.5
157.06491	2.6
159.08061	5.5
160.05228	4.7
161.05983	21.8
162.07657	1.6
163.03865	5.8
165.05457	2.3
166.06384	1.3
167.07045	55.1
169.10020	1.1
173.05991	59.7
175.03856	1.1
175.07600	2.2
177.05511	5.1
179.07025	2.3
180.08633	4.1
181.04985	4.6
181.08710	1.9
182.09410	1.4
187.07600	7.6
190.06258	33.8
191.03465	2.0
191.07054	6.4
192.07841	15.6
193.08607	19.7
195.06499	1.9
202.06250	3.5
203.07033	6.1
205.08604	100.0
207.10136	1.3
209.04416	3.2
209.08112	6.8
210.08897	2.6
213.16435	1.1
217.04985	3.6
217.08595	41.7
219.10205	5.1
223.09702	4.6
231.08022	1.4
231.10243	1.3
235.06029	2.8
235.09642	33.2
235.11897	2.3
247.07523	1.7
247.09630	8.4
263.10910	1.2
265.10709	35.2
269.08179	1.5
271.09753	1.5
276.08148	1.2
291.10159	2.0
293.08054	1.4
299.09335	1.9
315.08585	3.5
323.12701	2.6
330.10968	5.7
331.11752	2.9
339.12292	2.4
351.08472	3.6
351.12289	3.6
368.12469	1.7
369.09625	3.2
371.10861	1.8
371.14932	2.9
383.11017	5.1
383.15356	6.8
401.12146	7.0
401.16730	10.3
513.63654	1.3
598.23669	2.2
621.62738	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	598.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01862	7.7
55.05510	51.9
56.96554	2.7
57.03432	20.5
58.86834	2.7
59.04994	5.9
61.02922	5.3
65.03935	3.0
67.05503	100.0
69.03419	5.9
69.07071	13.7
70.17223	10.5
71.01357	2.6
71.05000	6.1
73.02915	5.4
79.05489	28.1
81.03418	11.8
81.07052	32.8
83.04977	14.9
83.08620	26.7
85.02914	24.9
85.06549	4.5
87.04472	13.1
91.05473	15.8
93.07034	18.8
95.04987	6.3
95.08613	18.3
97.02878	8.5
97.06504	8.1
97.10165	48.7
103.03941	15.9
105.07043	5.0
107.04971	8.9
107.08604	18.3
109.02863	2.9
109.06483	4.8
109.10149	88.3
111.04447	4.6
111.08086	6.1
115.03982	2.6
117.07058	5.9
119.08564	9.7
121.10154	9.3
123.08047	4.5
125.09635	48.8
125.98010	2.8
127.03933	3.3
131.08534	4.8
133.10098	2.5
135.11703	11.1
137.09572	5.7
143.10677	9.2
144.27705	2.3
145.10104	10.1
147.02740	2.3
147.08072	3.3
149.09599	2.3
153.12737	13.2
155.10693	7.8
163.04095	3.2
163.11186	22.7
167.10571	3.1
171.11589	2.6
173.09543	4.5
173.10190	3.5
173.11734	52.5
181.12212	11.3
191.10684	7.4
197.74373	2.4
199.13274	9.6
205.98573	2.5
209.11694	15.0
217.14363	9.8
224.25949	2.3
227.12769	19.1
229.07559	3.8
229.14328	91.3
245.13800	2.7
248.72516	2.3
257.13831	22.3
283.15439	14.2
301.16437	55.1
319.17471	14.4
349.61230	2.7
452.87579	2.6
598.39679	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	598.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.7
55.01868	12.6
55.05510	47.7
56.96550	5.8
57.03426	17.9
59.04992	8.4
61.02926	5.0
66.05097	5.0
67.05508	100.0
69.03440	6.2
69.07059	12.8
71.04977	11.2
71.50245	9.5
73.02911	10.1
73.92814	4.6
79.05499	38.1
81.03415	18.7
81.07053	44.2
83.04969	14.2
83.08624	24.8
85.02908	35.8
87.04468	14.8
91.05463	22.0
93.07043	23.1
95.04987	13.4
95.08608	18.8
97.02895	8.6
97.06522	15.1
97.10172	37.9
103.03928	13.4
105.07028	11.9
105.79347	5.2
107.04927	12.4
107.08597	27.1
109.10156	91.5
110.48920	5.1
111.08005	5.4
117.06993	8.2
119.08580	22.7
121.10172	9.6
122.97472	5.3
123.08074	9.0
125.09647	44.1
133.10143	10.9
135.07977	7.3
135.11655	7.2
137.09621	8.8
143.10609	12.1
145.10162	12.6
148.50337	5.5
149.09622	6.9
153.12782	9.5
155.10640	7.0
157.10092	7.1
163.11203	22.7
173.09691	8.2
173.10359	6.2
173.11768	54.0
181.12247	13.5
181.71980	5.5
183.11667	5.7
191.10660	7.7
199.13324	19.3
203.05956	5.9
209.11751	15.3
227.12755	16.8
229.14328	69.8
247.08667	8.0
257.13809	35.1
283.15378	8.7
291.19614	20.7
301.16376	38.8
441.26859	6.0
595.36133	6.2
598.25604	7.2
598.39526	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	599.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15285	0.3
53.03945	0.4
55.01868	0.6
55.05504	1.0
56.96566	0.8
57.03442	0.9
59.04989	0.9
61.02897	0.4
61.86456	0.3
67.05512	3.0
69.03427	1.1
69.07056	1.5
69.45449	0.3
69.58437	1.1
69.58838	1.0
71.04998	1.6
74.45586	0.3
76.66534	0.3
79.05489	2.8
81.03424	2.9
81.07063	3.2
83.04981	1.3
83.08619	1.0
85.02908	1.3
85.06532	0.4
87.04465	0.3
91.05486	2.8
93.07043	2.2
95.04968	1.2
95.08591	1.6
97.02878	0.5
97.06544	1.9
97.10155	0.3
99.08073	0.5
105.07021	1.8
107.04954	0.6
107.08603	1.8
109.06574	0.6
109.10169	1.9
111.04469	0.4
111.08112	0.6
114.98520	0.3
117.07001	0.4
119.08591	1.5
121.10130	2.3
123.11677	0.5
129.07056	0.9
131.08571	1.9
133.10120	1.6
137.05956	0.3
137.09634	0.6
139.11205	0.3
143.08601	0.4
145.10155	0.7
147.11707	1.3
149.09657	1.3
151.11177	0.3
157.10158	0.9
159.11716	0.8
163.11189	0.4
167.10710	0.5
173.02322	0.4
173.11765	0.4
173.13193	0.4
175.11143	0.7
181.12193	0.4
185.65292	0.3
187.50189	0.4
189.11287	0.4
193.12274	1.3
225.14835	0.5
229.07663	0.5
229.14462	0.4
233.11539	0.9
238.29257	0.3
247.08699	0.5
267.16034	1.2
283.15179	14.1
285.10110	0.4
291.68347	0.3
339.17767	9.6
367.18021	0.8
373.70810	0.4
489.18185	0.4
495.25537	0.8
599.34058	100.0
600.34381	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	599.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
53.03949	5.0
55.01871	23.8
55.05516	23.9
55.50245	1.1
55.51698	1.0
55.70650	1.1
57.03443	4.8
57.07072	4.4
57.23471	1.2
59.04996	2.6
60.51403	1.1
65.03944	4.0
66.93259	1.2
67.05505	50.9
68.65407	1.1
69.03430	6.2
69.06689	2.5
69.07066	43.8
71.04987	6.0
71.08647	1.5
71.50032	1.6
73.33556	1.0
77.03935	1.8
79.05494	54.6
81.03415	16.8
81.07058	41.9
81.07539	1.8
82.13604	1.2
83.04984	19.1
83.08623	9.8
85.02915	4.1
85.06536	4.0
91.04912	2.7
91.05482	56.2
93.07045	63.5
95.04966	32.1
95.08607	40.1
97.06526	24.7
97.10168	8.5
99.04458	7.8
99.08106	2.4
101.06070	1.1
103.05479	2.8
105.07034	50.8
107.04958	100.0
107.08592	41.6
109.06515	11.5
109.10151	21.1
111.04447	23.6
111.05146	2.2
111.08081	4.2
111.11729	1.3
113.09660	1.8
115.05450	4.9
116.06236	1.9
117.07021	19.8
119.04933	1.6
119.08583	50.3
121.06516	16.0
121.10144	29.1
121.10955	2.4
123.04483	1.5
123.08086	12.7
123.11707	2.4
125.09636	10.2
128.06203	5.9
129.07018	15.1
130.07768	3.4
131.04909	1.7
131.08560	27.4
133.06494	19.0
133.10133	18.6
135.08058	29.7
135.11674	6.9
137.06070	1.3
137.09616	18.6
139.07549	2.5
139.11177	6.8
141.06995	3.8
142.07793	8.7
143.08559	17.5
144.09331	1.6
145.06494	7.3
145.10126	24.4
147.08047	24.4
147.11694	10.2
149.06027	1.5
149.09621	40.5
149.13277	3.8
151.07549	5.0
151.11230	4.2
153.09064	6.1
154.07889	1.2
155.08563	5.8
155.10683	3.4
156.09355	4.4
157.06529	2.8
157.10126	20.9
159.08057	6.8
159.11684	13.6
160.08841	1.5
161.09615	15.8
161.13283	5.0
163.11201	9.4
165.07031	3.1
165.09077	9.8
166.07837	2.1
167.08578	3.4
167.10696	18.1
167.14305	3.0
169.10132	9.9
171.08067	3.6
171.11673	13.4
173.09642	3.8
173.11743	5.4
173.13312	6.1
175.11182	20.6
175.14856	1.9
177.09209	2.6
177.12808	5.5
179.08574	2.4
179.10719	4.1
181.10161	6.0
181.12283	2.6
182.10970	3.1
183.10202	2.7
183.11754	6.1
185.09663	5.4
185.13242	5.8
187.11223	5.0
187.14896	3.0
189.11246	1.6
189.12788	4.9
191.14386	2.0
193.10262	2.7
193.12209	2.8
194.10890	2.3
195.11974	7.0
195.13838	7.4
196.12448	1.7
197.13333	4.7
199.11172	3.8
199.14845	5.0
201.12764	2.7
201.16475	1.4
203.10843	2.5
203.12767	3.1
203.14372	3.7
205.12181	2.2
206.10968	1.6
207.11726	3.8
207.13789	1.8
208.12427	2.1
209.13313	5.6
211.11217	1.8
211.14912	3.6
213.12814	3.4
213.16504	3.5
215.14371	3.0
217.12352	2.3
219.11810	1.5
221.13324	3.4
221.15405	8.4
223.14877	3.2
225.12764	2.7
225.16466	2.1
227.14259	1.5
227.18030	3.1
231.17464	2.0
233.13263	2.8
233.15337	13.0
235.14978	1.9
237.12653	1.7
237.16481	3.2
239.14430	1.7
241.19627	1.4
245.13364	1.5
245.19032	10.0
247.17090	2.4
249.12650	1.5
249.18741	1.5
251.17960	1.7
255.17461	9.5
263.20160	4.7
271.17145	2.2
271.20450	1.2
273.18500	80.6
275.20132	3.8
281.19168	1.9
285.18512	2.1
289.18112	4.5
291.19553	96.1
292.19922	2.4
292.39926	1.4
299.20081	4.7
303.20218	4.0
309.20709	5.5
311.20132	2.5
313.21536	2.8
321.21143	1.6
322.77274	1.3
355.22809	1.5
365.24863	1.3
379.26151	2.2
381.27933	1.6
383.25601	1.5
391.26361	1.4
397.27478	4.4
485.33026	1.3
487.30594	1.5
507.34512	6.3
527.35046	1.7
545.36377	3.3
563.37384	9.4
581.38519	16.1
599.25226	1.8
599.40082	47.4
600.40576	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	599.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
53.45672	2.7
55.01867	17.8
55.05512	22.0
57.03435	5.0
57.07065	12.4
65.03924	4.2
67.05508	47.2
68.48875	2.7
69.03411	6.7
69.07068	38.1
70.66076	9.1
71.04996	3.8
71.08604	3.7
75.77261	2.5
79.05493	52.3
81.03415	9.6
81.06609	3.3
81.07060	44.0
83.04981	27.1
83.08623	7.6
84.04504	17.3
85.04784	3.2
85.06545	6.6
85.10172	2.5
91.05480	59.7
93.07040	56.1
93.07585	5.9
95.04954	28.4
95.08601	42.1
97.06526	23.2
97.10116	5.7
99.04464	4.2
99.08099	4.8
105.07035	55.7
107.04956	80.7
107.08586	35.5
109.06509	10.5
109.10129	12.9
111.04467	13.7
115.05453	3.7
117.06993	16.4
119.05019	3.1
119.08588	39.7
121.06493	8.9
121.10127	30.1
123.08070	14.8
125.09637	7.7
128.06200	5.3
128.50354	3.0
129.07024	15.1
130.07726	4.0
130.28691	2.8
131.08574	24.6
132.05750	2.7
133.06522	13.5
133.10114	24.6
135.08049	26.6
135.11702	10.5
137.09625	13.7
139.11166	8.6
139.90106	2.6
141.07004	5.5
142.07813	5.9
143.08531	15.3
145.06516	8.5
145.10138	22.5
147.08040	26.3
147.11755	13.8
149.09619	32.2
151.07478	7.0
151.11226	3.7
153.09097	6.2
155.08557	3.8
156.09323	3.0
157.10081	22.3
157.99336	2.6
159.08069	6.5
159.11664	14.8
161.09628	12.8
161.13269	6.7
163.11159	6.1
165.09125	10.2
167.10684	15.7
167.14334	4.1
169.10097	6.0
171.11688	13.6
173.09578	4.8
173.11781	3.4
173.13246	7.3
175.01555	6.5
175.11148	23.5
175.14774	3.7
177.12753	3.9
179.10667	5.5
180.09111	2.7
181.10097	4.5
181.12253	4.4
183.11748	4.5
185.09636	3.9
185.13219	7.9
187.14825	3.1
189.12703	6.0
193.12309	4.1
195.11807	4.9
195.13759	11.7
197.13290	7.6
199.11224	3.7
201.12737	4.1
203.12492	2.6
203.14407	3.2
207.13661	3.9
209.13336	3.3
211.14816	3.7
213.12750	4.2
219.40376	3.2
221.13348	5.6
221.15190	13.0
223.14799	4.1
225.12827	2.7
227.04686	4.0
233.13347	3.6
233.15399	8.5
235.13263	3.5
237.16454	4.1
245.19009	13.0
255.17525	4.8
273.18488	100.0
289.17926	3.7
291.19559	78.2
299.20053	3.5
305.02936	3.2
309.20633	5.5
313.12003	12.1
313.27301	3.0
516.35724	3.1
543.19232	13.2
545.36487	2.9
563.37524	7.7
581.38440	11.3
599.25354	6.5
599.41107	31.3
613.06665	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03922	2.1
55.01874	2.3
55.05512	11.2
57.07069	6.8
59.05001	3.5
65.03941	2.8
66.81901	1.6
67.05504	17.0
69.03436	10.0
69.07079	17.7
69.58058	11.7
79.05490	17.6
81.03434	2.7
81.06607	2.6
81.07060	26.6
83.04962	8.6
83.08617	6.1
84.04507	2.8
85.06549	3.7
91.05477	21.3
93.07040	48.2
95.04977	11.4
95.08609	28.4
97.06513	7.5
97.10220	2.6
98.43165	1.6
105.07031	40.6
107.04945	2.2
107.08591	33.9
109.06517	10.3
109.10136	14.5
111.08065	3.5
111.11736	3.1
113.09713	2.4
115.05425	2.9
116.06242	1.8
117.07022	11.5
119.04839	1.8
119.07739	2.5
119.08585	41.8
121.06499	8.7
121.10143	60.3
123.08073	20.9
123.11721	6.3
125.05954	2.2
125.09653	5.1
128.06245	7.3
129.07025	8.7
130.07802	2.1
131.08577	19.8
133.06512	3.3
133.10147	29.3
135.08076	11.3
135.11707	10.7
137.05957	1.5
137.09634	8.2
139.11168	2.6
141.07004	4.3
142.07750	9.2
143.08551	16.3
144.09305	1.9
145.06494	2.5
145.10123	27.8
147.08060	11.9
147.11667	12.0
149.09616	18.6
149.13232	2.7
151.07550	16.5
151.11157	2.6
154.07805	2.2
155.08537	8.5
155.10658	2.0
156.09335	9.9
157.10123	23.7
158.10965	3.0
159.08078	9.3
159.11708	18.1
161.09668	7.2
161.13272	6.8
163.11227	6.7
165.07031	1.9
165.09123	10.1
166.07776	1.6
167.08540	3.7
167.10675	95.7
168.09387	3.4
169.10097	14.6
170.10890	4.3
171.11694	17.0
173.09637	6.3
173.13266	11.4
175.11250	5.0
175.14836	9.4
179.08636	4.4
180.09367	2.0
181.10103	6.5
181.12297	3.7
182.10956	4.5
183.11685	12.9
184.12486	1.9
185.09698	4.9
185.13181	7.7
187.11220	4.9
187.14769	8.2
189.12733	8.8
191.14343	4.7
193.10147	7.0
194.10983	2.9
195.11719	11.8
195.13675	2.9
196.12479	3.4
197.09686	3.1
197.13232	13.4
199.11252	4.7
199.14874	5.3
201.12805	2.1
201.16377	2.4
203.14426	5.7
205.10217	3.0
205.15761	3.7
206.10930	3.6
207.11716	9.0
207.13831	8.9
209.09731	2.2
209.13292	7.9
209.15390	4.3
210.14011	2.3
211.11227	2.9
211.14876	5.7
213.12785	4.1
215.14357	7.1
217.16074	2.1
219.11711	4.7
220.12509	2.5
221.13290	7.3
221.15427	29.0
222.14011	2.3
223.11301	2.1
223.14925	5.3
225.12880	5.2
225.16472	2.5
227.14423	2.7
231.11774	3.6
233.13214	5.2
233.15352	35.1
235.14862	4.7
237.16460	2.6
239.14368	2.7
239.17783	4.2
241.19545	2.6
243.11710	2.0
244.12521	2.0
245.13260	3.6
246.14085	2.2
247.14816	3.5
247.17067	3.7
248.15508	2.2
249.16475	3.8
251.14450	2.2
253.15886	1.7
256.12152	1.6
257.19019	1.6
259.14935	3.5
259.20706	2.1
261.16492	2.9
263.17947	2.7
265.16010	2.7
273.18686	2.7
277.16150	1.8
277.19382	2.2
281.19098	2.6
283.20505	3.6
285.16217	2.6
287.20270	3.3
295.20715	1.8
297.18753	2.2
299.20068	5.4
311.20276	2.9
327.20679	1.9
365.24921	3.6
373.25479	2.1
375.23129	3.1
377.24704	5.1
391.26398	3.8
393.24042	2.1
447.29245	2.1
525.33643	2.6
543.18622	2.0
553.40430	2.0
563.38696	5.9
571.41400	3.3
581.40063	20.6
599.40961	100.0
600.41058	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	600.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64869	1.8
53.03937	7.4
53.57586	2.1
55.01863	3.4
55.05510	3.7
57.03426	5.5
61.02914	7.4
65.03935	2.5
67.05483	8.0
69.03433	19.4
69.07063	4.0
69.43588	10.2
69.44017	6.6
71.01343	4.3
71.04971	3.7
73.02903	3.1
79.05495	25.0
81.03422	13.2
81.07081	10.7
83.01334	5.6
83.04976	2.3
83.08620	3.1
85.02911	50.7
87.04459	3.5
91.03958	3.9
91.05474	20.0
92.04983	2.5
93.07040	21.9
95.04964	10.3
95.08577	4.9
97.02908	16.1
97.06499	6.7
99.04447	5.5
99.83643	2.1
100.87584	1.8
103.05462	26.2
105.07016	5.2
106.19236	1.8
107.04948	19.8
107.08592	3.9
109.02867	7.3
109.06509	4.1
109.10148	4.9
111.04442	3.6
119.04942	8.8
119.08598	3.5
121.06509	37.4
121.10135	4.5
121.88449	1.8
123.01225	1.9
123.08006	2.2
125.05965	2.8
127.03943	11.5
131.04938	12.8
133.06450	4.4
135.08051	3.4
137.05966	4.7
139.03914	4.3
145.04936	7.7
147.04396	5.1
149.05983	41.2
151.07558	2.8
157.10175	2.6
159.04425	12.5
165.05441	11.1
167.07162	12.2
176.03145	4.9
177.03975	3.2
177.05444	32.3
181.08574	7.2
191.07031	19.2
195.06514	23.8
209.08086	35.1
209.99223	2.7
210.26076	1.8
212.00854	32.1
214.04393	1.9
221.99249	2.4
224.00912	12.1
227.09152	17.1
250.05046	2.0
252.06339	2.7
253.07103	9.5
263.63556	2.0
264.06323	42.8
265.07129	13.6
285.01669	2.3
288.04013	16.1
290.05478	3.1
292.03348	3.9
300.03937	26.5
301.05145	2.4
318.04999	21.2
324.03790	3.6
342.04962	15.8
370.04553	10.7
373.11908	2.5
388.05502	14.8
402.07114	10.2
410.57748	2.4
420.08206	100.0
438.09265	89.5
438.15442	3.6
599.33759	5.4
600.33533	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	600.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.3
55.05508	0.2
57.03426	0.3
59.57909	0.2
61.02909	0.3
61.33888	0.2
65.03931	0.2
69.03416	0.8
70.01453	1.0
70.06587	0.5
71.04964	0.2
73.02911	0.2
79.05463	0.2
80.28292	0.2
81.03410	0.6
84.08137	0.2
85.02901	2.0
86.09669	0.2
91.05476	1.4
95.04959	0.4
97.02904	1.0
99.04445	0.3
103.05462	0.2
105.07034	0.5
107.04929	0.6
108.08112	0.3
115.05434	0.7
116.06212	0.2
117.07021	0.7
127.03883	0.4
127.59506	0.2
128.06201	1.3
129.06999	4.6
131.04916	0.3
131.07620	0.4
131.08560	5.3
133.06482	0.7
133.10144	0.3
136.06171	3.3
139.03784	0.3
141.06981	1.5
142.07730	0.6
143.08557	1.3
144.05695	1.8
145.04971	0.4
145.06476	1.4
146.07222	0.4
147.04382	0.4
147.08044	0.3
153.06953	0.4
156.05614	0.3
157.05257	0.2
157.06496	2.6
158.07205	0.6
159.08049	9.8
161.05963	0.7
161.09618	2.7
167.07033	1.0
169.06367	0.3
169.07635	0.8
170.07303	1.6
171.08055	1.9
172.05159	0.9
173.05969	1.2
174.06715	0.7
175.07509	0.7
178.06262	0.6
185.05931	0.2
187.07527	7.9
188.08397	0.4
189.05467	0.5
189.09048	3.7
190.06201	0.2
191.07050	0.3
192.07790	0.4
193.08484	0.3
193.12170	0.3
198.06747	0.6
199.07518	1.1
201.05469	0.6
203.07085	1.3
204.07813	3.6
205.08594	0.7
206.09438	0.6
207.10083	0.3
216.07892	1.2
217.08617	0.6
218.09259	0.3
219.10179	1.8
221.08127	0.2
221.11659	1.4
231.10187	2.9
234.08891	0.4
237.11192	1.0
249.11203	100.0
250.11528	1.1
267.12268	3.4
380.00043	0.2
411.16623	0.3
469.85965	0.2
472.68393	0.2
600.28772	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	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98362	0.3
55.05503	0.3
56.96572	0.3
57.03426	0.4
61.02909	0.3
67.05504	0.6
69.03418	1.2
70.06577	1.1
70.74934	0.7
73.02916	0.3
79.05490	0.5
81.03387	0.5
81.07040	0.6
81.37971	0.3
84.08134	0.8
85.02903	3.0
86.09703	1.1
91.05473	1.4
91.64769	0.3
95.08566	0.5
97.02877	1.0
97.06533	0.5
98.97602	0.3
105.07035	0.7
107.04947	0.9
109.10145	0.3
111.29168	0.3
115.05432	1.1
116.06216	0.7
117.06965	0.7
119.04933	0.3
121.06499	0.4
121.10127	0.3
127.03879	0.6
128.06221	1.5
129.06993	4.0
129.10237	0.4
131.04924	0.5
131.08566	5.7
132.05623	0.3
133.06494	1.0
133.10190	0.4
136.06165	2.6
137.05956	0.6
141.06973	1.3
142.07736	0.4
143.08525	1.0
144.05678	2.0
145.04939	0.5
145.06487	1.0
146.07233	0.6
147.04399	0.5
153.06987	0.8
156.05737	0.6
157.06459	2.4
158.07248	0.5
159.08049	10.0
161.05991	0.7
161.09622	2.4
162.07646	0.7
167.07030	2.6
169.07539	0.6
170.07246	1.5
171.08017	2.2
172.05225	0.8
173.05956	1.1
174.06776	0.6
175.07542	0.7
177.05431	0.4
178.06227	0.4
180.08655	0.9
181.06424	0.3
187.07539	8.0
188.08269	0.4
189.05516	0.6
189.09082	3.6
191.06911	0.3
198.06778	0.7
199.07553	1.3
201.05360	0.5
203.07048	1.3
204.07820	3.9
205.08568	1.2
206.09425	0.4
216.07872	1.4
217.08394	0.3
218.09413	0.6
219.10133	2.3
221.08186	0.4
221.11716	1.3
231.10199	2.5
234.08922	0.5
237.11285	0.5
249.11208	100.0
250.11617	1.7
267.12396	1.5
287.12708	0.3
600.16602	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	600.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
55.05497	0.4
57.03427	0.7
61.02621	0.2
61.02926	2.8
67.05492	0.7
69.03431	1.6
69.07055	0.3
70.06580	0.8
72.08155	0.2
73.02914	2.2
76.99863	0.2
79.05486	0.6
81.03420	6.8
81.07044	0.5
83.04993	0.4
83.08613	2.0
84.08160	0.9
85.02904	2.8
86.09701	0.4
91.03936	1.4
91.05470	0.8
93.07021	0.6
95.04958	2.3
97.02312	0.3
97.02897	2.7
97.06527	0.3
98.97624	0.2
99.04456	0.2
101.02381	0.3
105.07021	0.8
107.04954	0.7
107.08609	0.2
109.02862	0.3
109.06527	0.2
111.04430	0.3
111.08101	1.0
115.03925	0.5
119.03542	0.5
119.04936	0.2
119.08576	0.4
121.10149	0.4
127.03899	0.7
129.06979	0.5
131.08540	0.6
132.02164	0.2
133.06508	0.2
133.10126	0.5
136.06186	100.0
137.04579	0.8
137.06569	0.5
145.05034	0.3
147.04445	0.2
147.08081	0.3
147.11723	0.5
149.01245	0.2
149.09630	0.4
157.10120	0.8
165.12733	0.3
175.11195	1.4
180.07268	0.9
180.57408	0.3
193.12244	6.6
211.13269	0.4
252.09384	0.6
267.15881	3.0
285.10281	0.4
285.16974	5.5
287.05600	0.6
319.72275	0.2
324.11578	0.3
333.12207	0.5
333.62195	0.9
334.12399	0.3
361.02371	1.3
379.03381	0.6
420.22351	2.4
438.23550	3.1
582.19275	0.4
582.27765	5.3
600.28857	4.0
619.09479	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	600.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36220	0.7
55.01867	2.7
55.05515	5.8
55.47412	0.7
56.96554	1.0
57.03424	1.4
57.07069	1.2
58.99308	1.2
58.99586	18.9
61.01136	1.0
65.03917	0.9
67.05190	1.2
67.05505	12.8
68.43532	0.7
69.03420	2.6
69.07063	6.5
70.02943	0.9
70.06588	1.2
71.04980	1.3
76.02229	82.9
76.03989	1.9
79.05499	9.6
80.05024	1.1
81.03398	2.3
81.06611	0.8
81.07059	12.5
83.04986	3.8
83.06102	2.0
83.08592	2.5
84.04505	14.7
84.08131	0.8
85.02888	2.9
86.09676	1.9
86.99048	3.1
88.02226	1.7
91.05476	8.9
93.07044	11.3
95.04958	2.9
95.08604	9.4
97.02860	1.4
97.06536	13.7
97.10167	3.0
98.20800	1.6
99.05611	0.8
102.05515	1.0
105.07037	10.1
107.04942	3.2
107.08588	7.4
109.06511	4.7
109.10136	5.2
111.04401	1.3
116.01672	19.8
117.07001	3.2
119.08581	7.1
121.06512	3.2
121.10149	4.8
123.08067	2.8
123.11707	1.6
125.09609	2.2
127.03968	1.0
129.06586	1.2
130.05003	6.2
131.04938	1.0
131.08572	8.4
133.06485	1.4
133.10121	7.5
135.08046	3.2
135.11685	2.5
137.06027	1.0
137.09615	1.4
141.04774	1.4
141.06895	0.8
142.03226	7.9
143.08577	1.8
144.01137	11.8
145.06244	1.3
145.10107	6.8
147.08060	1.4
147.11725	5.4
149.09584	3.4
149.13219	1.7
151.11154	1.9
153.06911	0.8
155.08594	1.6
157.10141	2.1
159.08058	1.1
159.11705	3.3
161.05957	1.0
161.09558	1.7
161.13226	1.6
162.02203	43.2
163.11165	2.2
165.05457	1.2
167.07007	1.1
167.08496	0.7
170.02702	3.1
171.11655	1.8
173.09555	1.1
173.13249	2.2
175.11143	1.4
177.05629	0.7
177.12759	1.0
179.04854	100.0
183.11687	1.6
187.05327	2.6
187.07498	0.8
187.11168	1.2
189.09186	1.1
189.11172	1.1
191.07018	5.0
191.14386	1.1
201.12723	1.5
207.13818	2.5
215.04884	2.5
215.18031	1.1
217.08572	1.4
219.13760	1.0
233.05911	13.9
241.12326	1.3
245.05919	3.3
245.18869	0.9
247.20670	0.9
253.11003	2.5
254.11836	1.4
257.19000	3.6
259.09616	1.2
273.18579	4.1
275.20053	32.5
284.33374	0.8
287.12881	6.4
291.06577	1.9
291.19571	3.0
293.21091	21.3
308.09091	32.1
313.14233	1.2
324.12054	0.9
327.16031	1.0
331.15338	1.7
350.21497	0.8
355.15540	1.6
368.22565	9.8
368.44696	0.8
373.16443	2.1
378.21140	1.0
453.24231	6.9
470.62756	0.8
471.25250	2.1
525.26282	3.8
547.21527	2.3
565.22925	3.9
582.28113	1.4
600.29956	9.1
601.22675	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	600.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
52.88516	0.3
53.03928	0.9
53.54069	0.3
55.01867	0.8
55.05511	3.8
56.05023	0.7
57.03427	0.7
57.07058	0.8
58.99587	1.3
65.03929	1.2
67.05507	16.0
69.03416	0.9
69.07066	4.6
71.04990	0.7
71.23654	0.7
74.00669	3.0
76.02217	1.1
79.05489	9.9
80.05013	1.4
81.03423	0.9
81.05820	0.3
81.07053	8.5
82.06573	0.7
83.04979	1.2
83.06098	1.4
83.08616	1.3
84.04502	7.1
84.08129	0.4
84.75379	0.3
85.01141	0.7
85.02886	0.6
85.06541	0.4
86.00664	2.6
86.99055	0.9
87.02684	0.6
88.02229	0.9
91.05484	8.0
91.62670	0.4
91.64684	0.4
93.07047	13.7
94.06557	1.1
95.04957	2.3
95.08614	7.3
97.01156	1.7
97.06537	2.6
97.10175	1.6
98.00610	0.6
99.01416	0.9
99.02657	0.8
99.05584	0.5
100.02190	1.4
103.05488	0.6
105.07034	6.7
106.06557	0.7
107.04961	1.3
107.06069	0.4
107.08595	7.7
109.06513	1.2
109.10159	5.0
111.02678	0.9
111.08082	0.7
112.02199	3.7
113.00613	1.0
113.02913	0.6
114.03764	4.4
115.05486	0.4
116.01694	3.6
117.07019	2.0
119.08585	5.0
120.08126	0.7
121.06509	0.7
121.10146	4.2
123.08070	0.8
124.02206	0.4
125.04254	0.6
125.09624	0.7
126.03756	1.7
127.02172	0.8
129.06668	1.6
130.05025	1.3
131.08574	2.5
133.06477	0.6
133.10112	4.7
135.08031	1.1
135.11702	3.6
136.03876	0.6
137.04237	0.5
137.09599	1.1
138.03722	1.3
139.03123	0.4
139.11156	1.8
140.05287	0.5
141.04834	0.4
141.07121	0.4
142.03267	0.5
143.02794	0.5
143.08614	0.9
144.01140	1.4
145.06134	0.8
145.10124	2.3
147.08195	0.4
147.10706	0.4
147.11636	1.9
149.09622	0.9
151.05721	0.4
153.06438	0.5
157.10135	0.9
159.11716	1.4
161.13225	0.6
162.02184	1.4
162.12842	1.0
163.11212	0.6
165.07341	0.4
169.04306	0.6
170.11765	0.4
171.11720	0.5
173.13217	0.7
176.14307	0.4
179.04900	1.3
179.08784	0.5
181.06137	0.7
184.60831	0.4
185.03770	2.0
187.05350	0.4
189.03407	0.5
191.08977	0.4
196.11554	4.1
203.12773	2.4
208.11588	0.6
210.81364	0.5
211.07451	0.5
215.04828	2.4
216.05679	1.6
222.14972	0.7
224.11040	16.6
225.09451	1.0
231.04349	3.0
233.05899	0.9
241.11292	0.5
241.19681	0.4
242.12094	31.5
242.93533	0.4
252.10516	0.7
254.12070	0.5
257.19022	0.5
275.20059	4.1
282.15036	0.6
283.13141	0.5
292.22711	0.6
293.21201	1.1
298.13504	0.5
299.14285	0.4
299.20029	0.5
307.17346	0.7
308.09116	0.9
313.14444	0.6
322.22083	0.6
323.20520	0.5
324.20016	0.9
332.20389	1.3
333.18927	2.7
344.13956	6.5
345.14633	1.2
350.21472	10.7
351.19916	0.8
355.15195	0.4
368.22531	6.0
402.34753	0.5
407.23529	0.9
453.24179	100.0
454.24506	0.8
525.26306	6.8
582.28271	1.3
600.29742	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.7
57.07069	10.0
58.08041	3.1
58.68955	2.9
59.05000	3.8
67.05482	12.8
69.03419	4.8
69.07066	8.0
70.53370	7.3
70.53757	6.4
79.05492	8.7
81.07064	18.0
83.04977	4.0
85.06558	7.2
91.05464	23.0
93.07056	24.5
95.04980	10.0
95.08603	22.8
97.06523	4.3
98.20889	3.4
103.62393	2.8
105.07032	53.3
107.08586	22.3
109.06508	10.7
109.10130	9.2
113.70829	3.5
117.07005	9.4
119.08582	49.4
121.06501	7.8
121.10162	21.7
123.08051	15.7
125.05973	10.0
128.06213	5.6
129.07005	7.6
131.08578	24.0
133.10156	18.5
135.08022	17.0
135.11667	6.8
137.09599	9.0
139.07497	3.4
141.06892	4.4
142.07776	5.9
143.08578	19.5
145.10132	31.3
147.08054	28.8
147.11604	4.1
149.09596	9.6
151.07516	8.9
155.08551	11.2
156.09322	3.4
157.10146	41.5
159.07982	4.2
159.11700	19.1
161.09602	11.0
161.13269	3.9
163.11195	18.4
165.07036	4.9
165.09096	42.4
166.09503	5.3
167.08588	3.6
168.09341	3.5
169.10114	11.7
170.10902	6.1
171.11671	18.0
173.09596	8.0
173.13252	7.2
175.11165	20.3
177.09106	5.2
181.10173	9.9
181.12254	15.8
182.10881	6.0
183.11676	11.1
185.13263	7.4
187.11198	6.1
187.14809	3.6
189.12790	8.3
190.13486	4.0
193.10410	3.0
193.12228	14.8
195.11784	7.6
197.09581	4.0
197.13309	5.8
199.11238	4.9
199.14752	3.5
201.12679	6.9
203.14334	18.9
207.11697	5.8
207.13736	8.4
208.14622	8.4
209.13177	9.6
211.14877	9.6
213.12645	4.8
219.11809	4.2
219.13794	8.1
221.13306	6.5
221.15327	100.0
222.15688	8.6
223.14899	4.5
225.12709	5.4
225.16367	6.2
233.15402	5.8
234.16159	25.3
238.47414	3.6
247.14789	5.7
247.16930	33.0
259.16977	6.5
265.16232	3.4
269.15463	4.1
274.19250	11.0
279.17252	3.7
285.18445	3.9
287.20093	11.8
299.19995	18.2
300.20926	3.6
311.19937	5.3
312.20718	9.1
313.21539	7.7
325.21631	14.1
337.21899	4.4
339.23236	4.6
340.24030	17.0
352.23828	30.3
365.24741	6.2
366.25464	5.9
391.26370	3.7
402.27994	3.6
419.29547	9.1
420.30432	5.1
425.26740	6.9
426.27426	7.0
427.28323	14.3
440.29163	47.2
454.30396	3.7
508.35376	10.3
520.35699	31.9
521.36322	7.5
585.39496	4.6
600.41650	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	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89753	7.2
55.05542	9.8
56.00967	6.9
57.07075	21.2
67.05512	19.0
68.48709	7.5
69.03432	10.5
74.94824	7.6
75.00607	7.1
78.75239	7.0
79.05483	18.9
79.19302	7.8
81.07055	31.2
87.24748	7.8
88.86235	6.9
89.06037	11.9
91.05492	39.0
93.07053	53.2
95.04993	12.2
95.08610	26.7
97.06550	8.8
105.07040	75.6
107.08608	40.8
109.06551	20.8
109.10137	10.9
117.07003	29.9
119.08588	87.0
121.10174	32.6
123.08069	27.8
125.06003	15.1
128.06203	8.0
129.07030	15.6
131.08563	35.5
133.08607	16.4
133.10121	30.6
135.08047	27.6
135.11659	11.7
137.09607	16.2
141.07019	11.5
142.07799	21.7
142.28973	8.0
143.08566	31.9
145.10101	55.5
147.08090	30.9
151.07567	17.1
155.08580	13.9
156.09326	16.5
157.10130	43.2
158.10695	11.3
159.08107	13.2
159.11711	24.0
161.09602	22.1
161.13246	9.8
163.11180	19.6
165.09100	56.7
167.08464	8.9
169.10095	14.4
171.11711	26.9
173.09679	15.1
173.13234	16.8
175.11176	22.3
177.09212	11.1
181.10075	10.1
181.12305	21.0
182.10976	9.5
183.11719	29.7
183.93182	7.9
185.13306	9.9
187.11211	8.4
189.12735	9.2
190.13542	10.1
193.10298	11.0
193.12202	13.6
195.11662	17.9
196.12183	8.8
197.13287	18.7
201.12759	11.4
203.14346	26.8
207.11620	10.4
207.13737	14.6
209.13306	12.8
211.14825	10.0
215.68576	8.5
219.13776	13.2
221.13365	15.9
221.15361	100.0
222.15724	19.1
229.69357	9.9
234.16093	18.9
247.16930	21.5
274.19391	20.6
285.18552	8.7
287.20084	9.6
299.19989	17.7
300.70798	7.9
307.16931	7.7
309.01465	9.0
311.20151	9.5
325.21851	18.3
340.23920	11.1
341.22992	7.6
352.23956	33.1
425.26923	9.9
440.29245	42.2
508.35068	15.4
520.35260	36.6
600.41449	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	601.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97270	0.5
53.98296	0.5
67.05492	3.0
67.74509	0.5
69.07034	0.9
70.06593	0.7
71.49888	0.5
77.39170	0.5
79.05484	1.2
81.03404	0.9
81.07043	1.9
83.05000	0.6
85.90776	0.6
91.05460	1.2
93.07033	1.4
95.08611	0.8
97.02856	0.6
97.06519	1.0
104.36390	0.5
105.07053	0.8
107.08585	0.9
109.10157	1.5
119.08618	0.7
121.10149	0.8
130.14896	0.5
133.10139	0.7
143.08443	0.8
148.44426	0.6
157.04723	2.6
184.03488	1.6
185.04196	6.1
189.09424	0.6
201.03731	2.0
245.06276	0.7
259.08044	0.7
269.13705	2.6
275.07211	0.8
331.06277	0.9
331.09976	5.6
345.11627	0.8
350.07965	0.7
355.15451	1.0
373.14505	1.1
378.03427	0.7
387.16388	0.9
429.18375	0.8
431.18878	100.0
432.18945	1.2
459.22076	3.0
487.21597	2.8
522.94427	0.6
601.28564	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	601.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01864	6.6
55.05511	13.4
57.03419	6.6
57.07074	29.9
67.05499	22.4
69.03406	2.2
69.07068	13.1
69.37867	10.1
69.38288	5.4
71.04967	2.1
71.08636	16.8
79.05495	15.8
80.08595	2.2
81.03420	73.8
81.07053	23.4
83.05018	2.5
83.08625	11.9
84.84624	1.8
85.10191	8.1
90.30392	2.0
91.05495	20.4
92.37586	2.0
93.07049	17.2
93.40044	1.8
95.01347	6.1
95.04966	14.3
95.08606	23.6
97.06543	2.5
97.10205	3.6
103.05480	3.3
104.06220	2.1
105.07033	27.7
107.04964	15.4
107.08581	14.6
109.02872	3.1
109.06530	4.1
109.10166	11.5
115.05435	10.4
117.07024	9.7
119.04987	2.6
119.08589	21.7
121.06520	6.3
121.10148	9.2
123.08055	5.0
123.11703	3.7
128.06232	2.5
129.07005	4.7
131.04938	9.8
131.08565	11.1
131.47711	1.8
133.06516	9.3
133.10124	10.3
133.23804	1.9
135.08064	4.0
135.11674	4.0
135.40399	2.1
137.06000	4.2
137.09583	4.9
142.07773	2.1
143.08557	7.8
145.06520	3.9
145.10110	11.5
147.04404	12.2
147.08052	3.3
147.11763	3.2
149.09610	4.8
151.11214	3.0
155.08586	4.0
156.09398	2.0
157.06499	2.4
157.10159	8.3
159.04427	8.2
159.07953	3.3
159.11713	5.9
160.05211	18.1
161.06001	37.0
161.09625	9.0
161.13364	2.7
165.09169	4.1
169.10138	4.3
171.11674	5.4
173.04553	1.4
173.05989	30.1
173.07385	2.3
173.13425	2.2
175.11211	4.1
177.12691	3.3
179.70901	2.0
181.10292	2.0
183.11746	3.3
185.13234	2.7
186.82901	2.0
187.07500	13.3
189.09073	5.3
197.13271	2.3
203.10733	5.7
203.14510	2.7
215.14314	2.3
221.15413	7.1
225.12759	4.6
243.13768	11.7
246.91216	1.9
253.12404	2.2
271.13281	42.1
271.29312	1.7
275.20148	5.7
289.14307	13.8
291.19608	5.8
293.21069	3.8
313.27405	26.4
345.17032	12.7
583.40643	4.3
601.41028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01864	14.3
55.05503	21.6
57.03437	3.9
57.07073	3.0
65.03937	2.5
67.05503	34.1
69.03426	3.9
69.07066	43.1
70.02982	10.1
71.04986	6.5
79.05486	47.5
81.03408	6.3
81.07052	40.3
83.04964	14.6
83.08604	6.6
85.06548	2.8
87.04451	2.1
88.30721	2.0
89.05993	3.4
91.05477	34.3
93.07039	54.2
95.04966	22.9
95.08611	32.3
97.06528	19.4
97.10167	6.1
99.04446	5.7
105.04538	2.1
105.07027	37.9
107.04951	38.0
107.08595	24.8
109.06519	7.4
109.10149	11.9
111.04448	23.3
111.08047	2.6
115.05443	2.3
117.07026	10.2
119.08578	36.5
121.06492	6.2
121.10132	26.5
123.08067	6.3
123.11697	3.4
125.09615	5.7
129.06967	3.0
131.08578	17.9
133.08595	4.0
133.10120	24.2
135.08049	28.8
135.11693	4.9
137.09607	4.7
139.11137	12.3
139.22836	1.9
141.06943	2.1
143.08501	6.3
145.10112	16.0
147.08078	4.2
147.11691	9.5
149.09618	10.1
151.07550	3.2
153.09111	7.2
155.08557	4.1
157.10114	5.7
159.07965	2.5
159.11676	8.3
161.09642	3.3
161.13260	4.6
163.11176	5.9
165.09140	5.3
167.10716	2.9
169.10106	3.9
171.08087	2.2
171.11661	5.3
173.13231	5.2
175.11168	2.9
175.14796	2.0
177.12747	3.7
183.11667	3.4
183.13802	4.1
185.13254	3.9
187.13275	3.5
195.13805	2.7
197.13237	2.9
199.11099	2.0
199.14948	2.4
203.12764	15.8
203.14345	3.9
207.13791	4.0
219.13780	3.8
221.15393	9.7
237.14850	9.0
239.17908	2.8
247.20711	3.5
253.87390	2.0
255.17210	2.5
257.19077	9.5
273.18463	9.2
275.20044	100.0
291.19565	24.2
293.21133	42.9
309.20575	4.2
480.04910	2.2
583.40057	4.3
601.40973	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	601.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01870	23.5
55.05516	21.3
57.03439	3.8
57.07072	4.3
60.62222	1.7
60.88250	1.5
60.91418	1.7
65.03925	3.9
67.05505	40.2
69.03430	5.0
69.07069	50.7
69.41247	14.4
71.04985	8.0
71.08635	3.5
73.11398	1.7
75.05653	1.6
77.13950	1.9
79.05495	56.9
81.03415	15.8
81.07054	38.9
83.04978	17.2
83.08620	6.7
85.02885	3.3
85.06541	4.9
86.92860	1.8
91.05487	41.9
93.07044	53.2
95.04974	28.0
95.08607	36.1
97.06524	22.1
97.10175	8.0
99.04466	6.2
99.08058	2.3
102.07497	1.8
103.05489	2.6
105.07037	40.5
106.78496	1.9
107.04958	67.2
107.08590	40.0
108.89426	1.9
109.06525	8.5
109.10148	16.7
111.04445	13.2
111.08086	3.5
115.05449	3.5
117.07038	13.8
119.04881	2.4
119.08585	29.7
121.06538	8.3
121.10136	27.2
123.08105	10.4
123.11765	2.2
124.94553	1.9
124.96587	1.7
125.05980	3.1
125.09643	6.4
128.06221	2.5
129.07076	8.7
131.08562	27.8
133.06502	4.0
133.10117	25.2
135.08057	21.7
135.11682	8.7
137.08679	2.0
137.09612	10.5
139.11194	8.3
141.06967	2.9
142.07791	2.2
143.08557	9.1
145.06509	4.7
145.10149	19.2
147.08034	7.3
147.11668	12.1
149.09622	34.7
149.13231	3.4
151.07558	3.6
151.11185	8.5
153.09120	5.0
155.08565	5.2
155.10686	2.4
157.10127	9.3
159.08171	3.9
159.11719	11.4
161.09660	8.8
161.13263	2.8
163.11188	9.5
165.09114	4.4
167.08539	3.2
167.10713	7.2
167.14331	2.6
169.10123	5.8
171.11699	8.7
171.30579	2.2
173.09644	2.9
173.11809	3.3
173.13292	8.2
175.11215	7.2
177.12733	5.8
181.12210	5.3
183.10272	2.1
183.11737	6.7
185.13316	4.1
187.11237	4.4
189.12758	2.6
191.14320	2.7
193.12331	2.2
194.29518	1.8
195.11687	2.2
195.13803	5.9
197.13268	2.8
199.11133	3.1
203.10783	2.0
203.12784	6.1
205.12340	2.0
207.13704	2.3
211.14900	2.1
219.13811	2.3
221.15361	2.9
227.18019	2.3
229.19505	2.5
245.18950	4.6
247.20575	5.2
255.17535	3.3
257.18994	4.0
263.20160	2.3
270.98682	2.9
273.18506	21.9
275.20056	70.6
291.19522	100.0
293.21078	24.2
299.48141	2.0
309.20630	5.9
381.27814	3.2
399.28973	3.5
446.84125	2.1
547.37659	2.9
565.38763	7.0
583.40350	11.8
601.26282	42.6
601.41748	13.2
602.26752	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14948	11.2
55.05492	26.0
57.07077	22.6
60.97013	12.1
67.05490	19.1
67.37115	10.8
69.07056	21.3
69.52625	9.3
69.52917	87.0
74.00473	9.5
79.05507	22.9
81.07035	26.3
87.91051	10.5
89.06041	13.3
91.05493	31.3
93.07055	36.9
95.04996	17.6
95.08627	22.8
98.28562	10.5
99.19100	9.9
102.02114	11.3
105.07047	42.3
107.08590	35.4
109.06525	13.3
109.10151	16.3
117.07023	16.8
119.08585	47.0
121.10142	24.8
123.08080	16.8
128.92978	10.4
131.08591	20.6
133.10130	12.7
135.08118	12.8
143.08594	14.7
145.10153	41.6
147.08055	36.8
147.11749	14.6
156.24184	10.6
157.10144	26.4
161.09523	13.5
165.09123	50.7
169.10045	16.7
171.11702	15.8
173.09673	15.8
173.13348	14.7
197.13322	13.4
203.14412	14.2
221.15323	100.0
226.12300	12.9
333.57166	13.7
352.24091	13.4
504.38599	12.3
601.42401	46.4
624.84143	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03325	2.8
53.03931	3.2
54.31112	3.0
55.01868	3.3
55.05502	10.2
57.07074	12.9
67.05483	17.0
69.03415	8.0
69.07064	11.7
70.18156	13.3
79.05494	21.5
81.07049	24.6
83.04964	6.8
83.08607	4.2
85.22024	3.2
91.05477	31.9
93.07045	47.8
95.04969	14.7
95.08601	21.8
105.07024	48.8
106.07337	6.0
107.04987	3.7
107.08585	24.0
109.06537	14.2
109.10156	11.0
115.05501	3.2
117.07038	14.4
119.08584	49.2
121.06507	5.3
121.10165	24.7
122.10437	4.6
123.08050	20.8
123.11694	4.5
125.06003	6.1
128.06212	4.2
129.06990	12.9
131.08562	23.6
133.06493	3.5
133.10141	22.7
135.08018	16.3
135.11679	10.2
137.09616	15.2
142.07814	8.8
143.08546	24.1
144.09377	5.9
145.10133	32.6
147.08032	22.0
147.11691	6.9
149.09631	9.0
151.07529	19.3
155.08539	7.8
156.09393	4.3
157.10135	26.0
158.10666	3.1
159.08014	4.5
159.11707	16.7
161.09608	7.8
161.13188	3.5
161.61197	3.3
163.11154	9.6
165.09117	64.4
166.09433	4.3
169.10162	11.5
170.10873	4.5
171.11711	12.1
173.13252	9.4
175.11183	6.7
175.14838	6.5
179.10732	5.4
180.11601	3.0
181.10175	5.4
181.12242	11.1
183.11691	10.9
185.13315	4.4
187.14857	6.8
189.12799	8.3
193.10127	5.8
195.11751	9.4
197.13330	6.7
199.14716	4.0
203.14410	15.7
207.11818	5.7
207.13779	7.8
208.14497	4.1
209.13287	4.4
209.15176	3.1
211.11302	3.4
211.14813	6.4
213.12791	3.8
219.13904	3.3
221.13359	7.1
221.15359	100.0
222.15704	19.0
225.12584	3.9
227.14323	4.5
234.16068	4.0
247.16992	11.7
249.16284	3.7
274.19293	5.2
275.20041	8.0
287.20065	5.6
291.19711	4.9
293.19330	3.2
300.20746	7.5
301.21637	4.3
340.23737	4.3
341.24524	6.1
352.23959	6.8
353.24243	6.9
367.26038	4.3
393.27808	4.3
440.29141	4.4
441.29672	12.7
491.34735	8.1
509.35999	4.0
520.35565	4.4
521.35803	12.7
532.49396	3.8
583.41547	10.7
601.42334	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43142	2.1
52.44460	2.9
53.03935	7.5
55.05505	21.8
57.07068	7.8
59.05012	2.6
65.03935	7.3
67.05502	31.4
69.03413	14.4
69.07064	28.6
70.45926	2.5
70.46282	9.2
71.04985	3.6
76.77055	2.4
79.05491	34.6
81.06602	4.3
81.07049	50.5
83.04974	18.2
83.08605	15.0
85.06535	4.3
87.04477	6.5
91.05472	61.0
93.07037	87.3
93.11160	2.9
95.04967	27.2
95.08606	45.5
97.06526	14.4
98.20875	3.2
103.05477	5.1
105.07021	95.8
107.04980	3.7
107.07899	4.8
107.08588	80.0
108.24483	2.7
109.06509	19.0
109.10154	34.6
111.08075	4.6
113.09591	5.7
115.05458	7.1
116.06250	2.8
117.07004	22.7
118.22639	2.5
119.08578	93.1
121.06526	14.3
121.10139	100.0
123.08042	13.4
123.11697	11.4
125.05962	4.9
125.09624	17.0
128.06212	15.6
129.07025	18.0
130.07748	10.8
131.08554	44.8
133.06487	5.4
133.10123	62.5
135.08049	20.5
135.11688	21.6
137.09608	9.9
139.11198	8.2
141.06978	9.6
142.07790	21.8
143.08549	39.7
144.09312	10.0
145.10121	74.6
146.10950	2.9
147.08043	12.7
147.11694	27.1
149.09633	24.7
149.13222	6.4
151.07520	6.2
151.11151	3.0
153.06927	3.1
154.07745	3.9
155.08562	18.4
155.10658	8.7
156.09319	18.2
157.10130	57.9
158.10861	4.1
159.08067	14.1
159.11688	41.5
161.09613	18.9
161.13225	12.8
163.11160	14.0
165.07069	4.9
165.09122	7.9
166.07837	3.5
167.08542	11.9
167.10672	75.9
168.09332	8.9
169.10139	29.8
170.10893	8.9
171.08040	3.7
171.11665	38.4
172.12405	3.7
173.09616	9.8
173.13240	27.7
175.11185	10.5
175.14796	17.6
175.34389	2.4
179.08585	9.4
180.09262	5.3
181.10081	16.0
181.12193	7.1
182.10843	10.5
183.11687	28.6
184.12421	6.4
185.09651	6.1
185.13245	24.5
187.11223	3.8
187.14766	12.7
189.12729	5.2
191.14252	6.8
193.10129	13.6
193.99831	3.0
194.10912	10.5
195.11702	32.1
196.12366	10.0
197.13228	29.7
199.11168	4.4
199.14778	15.0
201.12772	8.7
201.16380	8.5
203.14255	8.5
205.10106	2.9
206.10904	6.7
207.11746	15.3
208.12434	8.5
209.13280	25.8
209.15189	5.6
210.14072	4.1
211.11177	4.5
211.14798	19.6
213.12775	5.0
213.16223	6.4
215.14362	7.7
219.11626	4.5
220.12450	5.1
221.13223	14.3
221.15344	23.6
223.14728	17.9
225.16350	7.4
227.14235	7.0
229.15845	5.4
231.11630	4.7
231.17604	3.5
233.13202	6.4
233.15364	30.0
234.13881	3.3
235.14810	10.3
237.16415	7.3
239.17973	3.8
247.14766	11.2
247.17018	3.9
249.16364	6.5
251.17982	6.2
253.16035	4.2
253.19536	3.0
255.17485	5.5
259.14871	7.3
259.20682	3.2
261.16327	8.1
263.17944	3.3
265.19510	9.0
267.17471	4.0
269.19016	15.7
273.18637	5.7
275.17767	4.4
277.19238	3.7
281.19083	4.3
283.20566	5.3
287.20178	6.6
289.19507	3.4
293.18896	3.7
295.20480	6.1
297.21967	3.1
301.21527	4.4
311.20016	3.2
349.25211	5.2
361.25043	3.0
365.24799	4.0
367.26337	3.3
377.24576	2.6
473.33511	3.7
511.44296	3.0
565.40051	6.0
583.41376	10.0
601.42719	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	602.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01870	1.1
55.05283	0.4
55.05516	4.2
56.05032	0.7
56.96549	0.6
57.03422	0.4
57.07066	0.9
58.99580	0.9
65.03929	0.7
67.05505	15.9
69.03413	0.6
69.07072	6.9
70.06583	0.4
71.04989	0.9
71.08620	0.8
71.11216	0.7
71.72131	0.3
74.00666	2.8
76.02219	1.3
79.05496	5.9
80.05011	1.2
81.03429	1.2
81.05782	0.5
81.07060	14.3
81.07544	0.7
83.04969	1.5
83.06100	1.2
83.08633	1.7
84.04510	5.0
85.01112	0.9
85.02895	0.7
86.00643	2.1
86.99042	0.5
87.02676	0.4
88.02213	0.6
91.05474	3.7
93.06504	0.5
93.07048	7.2
93.07639	0.4
94.06565	0.9
95.04973	2.3
95.08002	0.6
95.08609	11.3
97.01110	1.2
97.02867	0.5
97.06534	2.6
97.10198	1.1
98.00623	0.6
99.01408	0.9
99.08101	0.6
100.02184	0.7
102.05590	0.4
105.07035	2.9
106.06542	0.4
107.04957	0.3
107.08594	3.1
109.06535	1.0
109.10153	3.0
111.02648	1.2
111.08044	0.4
112.02200	4.1
113.00545	0.7
114.00150	0.4
114.03750	4.1
115.68135	0.3
116.01698	2.9
117.07019	1.3
119.08593	3.2
120.08112	0.5
121.06464	0.5
121.10142	2.8
123.02670	0.5
123.08058	0.9
123.11714	0.5
125.04137	0.4
126.03692	0.9
129.06651	1.1
130.04997	1.3
131.08563	0.9
133.10098	1.6
134.09630	0.5
135.07953	0.4
135.11691	1.8
137.04227	0.5
137.09619	3.3
137.13254	2.0
139.03191	0.6
139.11140	0.7
140.01663	0.6
140.05263	0.6
143.02744	1.1
143.08560	0.5
144.01088	0.7
145.06084	0.9
145.10100	1.1
147.11690	1.5
149.09641	0.4
149.13232	0.8
150.12776	0.8
151.11154	1.0
153.12775	0.5
157.10144	0.8
159.11725	0.5
161.09650	0.6
161.13293	0.5
162.02238	1.4
162.12828	0.7
163.11151	0.6
163.14871	0.4
164.14383	0.5
165.09157	0.4
165.12738	0.5
167.08884	0.4
169.04311	0.9
169.10500	0.4
171.11696	0.6
173.13293	0.6
175.14815	0.4
179.04915	0.5
179.14354	0.8
181.06023	0.6
185.03798	1.8
187.05460	0.8
189.03313	0.7
195.08009	0.4
196.11555	4.7
196.13177	0.6
197.09914	0.4
208.13280	0.4
210.13251	0.6
212.11099	0.6
215.04842	3.0
216.05608	2.1
216.10635	0.5
224.11032	20.4
225.09404	0.6
225.11395	0.5
231.04266	2.6
233.05972	1.0
236.16618	0.4
240.10605	0.4
241.11331	1.0
241.19539	0.6
242.12086	32.1
249.22079	1.1
257.07739	0.4
269.10809	0.7
277.21622	5.9
282.15192	0.4
291.17905	0.4
294.24234	0.9
295.22717	3.6
298.13495	0.6
308.09122	1.4
309.18860	0.7
325.21973	1.0
326.21390	1.3
334.22003	1.5
335.20364	3.2
344.13983	7.8
345.14804	1.2
352.23074	11.8
353.21356	2.5
357.14886	0.5
370.24112	6.9
380.22571	0.4
409.25174	0.8
431.19189	0.5
432.19101	0.7
455.25745	100.0
456.26254	1.8
512.29089	0.7
527.27789	5.5
584.29852	1.0
585.29010	0.4
602.31049	4.0
603.30750	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	603.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45341	0.3
69.44323	1.2
69.44748	1.4
70.06604	0.8
72.08183	0.3
73.10206	0.3
84.08132	0.6
85.02892	0.4
85.06550	0.3
86.09713	0.6
91.05474	0.3
92.02705	0.3
95.08578	0.4
98.21603	0.5
119.04981	0.4
133.10204	0.4
137.06039	0.4
140.07056	0.3
146.05945	0.4
147.05508	0.4
155.27307	0.3
180.30864	0.3
182.15187	0.3
185.04199	1.7
207.07803	0.5
261.08954	0.3
309.09506	0.4
310.30219	0.3
339.10559	0.3
363.09131	0.8
365.10690	0.5
395.64783	0.3
402.48837	0.3
425.12003	0.6
440.14566	0.8
441.15759	3.2
532.49396	0.3
603.20575	100.0
604.20654	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	603.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.3
55.05515	0.5
61.16369	0.2
67.05521	0.4
67.36071	0.2
69.03426	0.6
69.54007	1.8
70.06601	1.7
72.08150	0.4
79.05495	0.8
79.98882	0.3
81.07063	0.5
83.04995	0.3
84.04500	0.4
84.08156	0.6
85.02908	1.0
86.09683	1.3
86.56528	0.3
91.05452	0.4
93.07072	0.6
95.04977	0.4
97.02899	0.4
97.06540	0.8
98.20782	0.4
98.97573	0.4
102.01048	0.2
104.12556	0.3
105.07040	0.3
107.08594	0.4
109.10186	0.4
119.08646	0.3
120.08124	0.7
129.07103	0.3
129.10272	0.4
137.06026	0.4
146.06010	0.7
147.05545	0.6
166.50313	0.3
185.04120	0.3
187.07373	0.3
201.03816	1.0
203.05266	0.7
207.07724	0.5
250.07864	0.3
324.69156	0.3
368.63113	0.4
375.49005	0.3
423.23462	4.8
425.25006	1.0
441.24683	3.6
483.25778	0.3
543.27734	0.4
603.29865	100.0
604.30176	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	603.2982
Annotation	His Gln Tyr Arg
Peak:m/z	Relative Intensity
55.05523	0.8
56.05022	0.5
65.31672	0.5
67.05511	0.5
69.03427	0.6
69.07067	0.7
70.06597	1.1
71.41445	1.0
73.02921	0.6
84.08179	0.6
84.28143	0.5
85.02930	1.3
86.09708	1.4
91.05482	0.9
95.04965	0.7
95.08619	0.6
97.06533	0.6
98.97583	1.1
105.07065	0.8
107.08613	0.5
120.04534	0.7
123.08113	0.5
133.10138	1.9
137.09621	1.5
146.06036	1.4
147.05545	1.0
158.99661	0.6
173.42984	0.5
200.16559	0.8
201.03697	0.7
203.05321	1.2
207.07658	0.9
230.75172	0.5
241.89169	0.5
390.18115	0.8
409.15970	0.7
423.23462	10.3
425.25079	17.3
441.24673	0.8
463.84622	0.6
603.29889	100.0
604.30444	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	603.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
58.67068	0.3
67.05500	0.5
69.03426	1.0
69.07078	0.3
70.06583	2.4
71.49224	0.4
72.08144	1.0
78.93649	0.3
79.05499	0.5
81.03430	0.4
81.07051	0.3
83.04991	0.3
84.04477	0.3
84.08133	1.0
85.02924	1.5
86.09708	1.4
91.05473	0.6
95.04977	0.6
95.08571	0.4
97.02889	0.9
97.06523	0.8
98.97558	0.4
107.04922	0.4
107.08633	0.5
109.02890	0.4
120.04480	0.3
120.08095	0.7
129.10246	0.7
133.10213	0.4
137.06078	0.4
146.06029	0.6
147.05548	0.8
149.78583	0.3
165.05522	0.4
167.07094	0.3
201.03702	0.6
203.05290	0.9
207.07629	0.7
213.05556	0.4
253.11336	0.5
337.14514	0.4
355.15393	0.4
411.17978	0.4
423.23538	11.2
425.25101	24.2
426.25470	0.5
441.24155	0.9
586.18591	0.7
603.21661	3.9
603.29846	100.0
604.21582	0.5
604.30029	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	603.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.01870	15.6
55.05513	41.0
56.96566	9.3
57.03435	14.8
67.05500	50.6
67.45303	2.7
69.03414	17.6
69.07063	19.8
69.76563	17.2
70.06604	2.7
71.01354	3.8
71.04994	8.9
73.02936	2.9
78.93237	2.7
79.05490	51.1
79.05926	3.5
79.12730	2.6
80.05854	2.6
81.03419	76.2
81.03880	4.9
81.07057	47.0
83.04980	22.4
83.08618	26.7
84.08154	4.6
85.02910	39.6
85.03393	3.4
85.06558	6.4
85.49401	2.5
91.05486	62.2
91.06036	3.8
93.07041	37.8
93.07569	3.0
95.04971	62.8
95.08604	26.2
97.02907	11.5
97.06543	17.5
97.10161	15.6
98.21539	4.8
99.04474	5.3
99.08098	3.3
103.05492	10.5
105.07036	46.4
107.04964	18.5
107.08610	24.7
109.02866	21.7
109.06546	9.4
109.10161	13.1
111.04445	14.5
111.08110	13.9
112.05366	2.5
113.05994	3.8
115.05465	16.4
117.07031	21.7
119.04959	9.1
119.08570	36.1
119.09241	2.8
121.02897	6.6
121.06493	15.4
121.10132	18.4
123.04469	5.9
123.08087	10.5
123.11726	6.5
125.09669	9.6
127.03942	5.9
128.06276	6.2
129.07025	19.9
129.77818	2.6
131.04939	17.9
131.08540	21.3
133.06490	15.0
133.10150	16.5
135.04410	5.1
135.08069	8.2
135.11739	7.9
137.02362	3.9
137.06017	8.8
137.09660	5.9
141.07048	9.9
142.07845	4.7
143.08600	9.7
145.06487	21.3
145.10167	12.7
147.04489	11.7
147.08098	12.3
147.11694	15.3
149.02385	6.1
149.06061	9.1
149.09659	8.1
151.07614	7.5
153.12831	3.0
155.08617	9.5
157.06551	9.6
157.10153	17.9
159.04469	4.0
159.08092	11.6
159.11745	5.3
160.05252	5.6
161.05981	24.5
161.09671	7.0
163.03923	4.5
163.07605	3.4
163.11232	15.1
165.05600	3.3
165.07057	3.5
167.07227	2.8
167.08603	5.7
171.04404	2.9
171.06847	2.9
171.08125	12.3
171.11720	6.2
173.06004	30.2
173.09651	8.1
173.13208	3.5
174.06831	6.8
175.03987	3.7
175.07625	6.6
175.11224	14.1
179.08611	3.3
181.12254	3.8
183.08096	6.3
183.11807	3.4
185.09627	3.8
185.13263	4.3
187.07516	14.1
187.11192	3.0
189.05475	28.9
189.09190	7.4
189.11232	4.8
189.12814	4.8
191.10728	6.0
193.12219	29.7
195.08179	3.7
195.11786	4.2
197.09601	2.9
199.07544	4.7
199.11081	3.8
200.08449	2.9
201.05629	4.4
201.09248	4.1
203.07144	4.3
203.10696	4.2
205.12344	2.9
207.13834	3.8
211.13278	39.9
211.15019	3.7
213.12718	3.5
227.12831	12.4
237.12877	5.7
241.12294	3.9
250.05280	3.3
251.06061	7.2
255.13930	11.8
257.15402	7.2
263.06100	4.5
265.12479	3.5
267.09219	8.2
267.16064	10.6
269.10611	5.3
271.13440	4.2
273.14960	24.8
275.99646	3.2
281.07217	4.8
283.13071	21.0
285.10223	12.3
285.14560	6.8
285.17361	18.9
287.11893	3.7
289.14407	4.9
301.14294	89.4
303.16168	6.6
319.15378	13.4
339.15738	3.3
341.17548	6.3
357.16745	6.3
357.66272	4.1
359.18597	4.0
375.18063	26.3
393.19165	5.7
423.24667	8.2
429.12640	10.2
447.13498	14.5
459.27658	5.5
493.26315	6.7
513.25348	3.4
529.27893	4.6
557.30981	4.2
567.29047	17.2
573.30585	26.9
585.16901	5.6
585.30536	82.7
603.17084	22.1
603.31903	100.0
604.32428	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	603.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.9
55.01867	12.0
55.05510	34.4
57.03454	7.1
57.07074	6.2
62.84569	6.9
67.05506	100.0
69.03423	8.3
69.07064	35.2
71.04972	11.3
71.50039	11.2
79.05492	60.8
81.03409	12.1
81.07060	71.6
82.64478	5.9
83.04961	9.7
83.08613	23.4
83.41885	7.2
85.02904	8.5
90.58796	5.4
91.05467	48.5
93.07047	54.3
95.04969	17.5
95.08607	73.9
97.06537	11.6
97.10169	26.2
105.07031	54.0
107.08596	52.4
109.06509	12.3
109.10162	39.3
111.08085	9.5
117.07007	22.6
119.08574	47.7
121.09325	6.5
121.10135	19.8
123.08092	13.9
123.11727	12.5
125.09616	21.0
129.06987	6.0
131.08554	26.0
133.10138	50.3
135.07994	8.4
135.11717	12.2
137.09608	13.4
143.08566	10.5
145.10133	32.4
147.11668	21.1
149.09590	9.4
151.11218	10.8
155.08543	9.7
157.10153	16.4
159.11676	16.0
161.13281	9.1
163.03931	7.8
171.11624	11.0
173.11716	29.7
173.13126	10.5
187.14835	11.6
189.08813	5.9
189.11180	20.2
197.13185	11.7
225.16467	6.8
275.20135	45.3
293.21146	13.1
301.14734	7.8
345.27734	6.3
431.18979	35.3
510.27002	6.1
550.49683	5.9
603.31958	14.4
603.42163	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	603.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.9
55.01867	12.0
55.05510	34.4
57.03454	7.1
57.07074	6.2
62.84569	6.9
67.05506	100.0
69.03423	8.3
69.07064	35.2
71.04972	11.3
71.50039	11.2
79.05492	60.8
81.03409	12.1
81.07060	71.6
82.64478	5.9
83.04961	9.7
83.08613	23.4
83.41885	7.2
85.02904	8.5
90.58796	5.4
91.05467	48.5
93.07047	54.3
95.04969	17.5
95.08607	73.9
97.06537	11.6
97.10169	26.2
105.07031	54.0
107.08596	52.4
109.06509	12.3
109.10162	39.3
111.08085	9.5
117.07007	22.6
119.08574	47.7
121.09325	6.5
121.10135	19.8
123.08092	13.9
123.11727	12.5
125.09616	21.0
129.06987	6.0
131.08554	26.0
133.10138	50.3
135.07994	8.4
135.11717	12.2
137.09608	13.4
143.08566	10.5
145.10133	32.4
147.11668	21.1
149.09590	9.4
151.11218	10.8
155.08543	9.7
157.10153	16.4
159.11676	16.0
161.13281	9.1
163.03931	7.8
171.11624	11.0
173.11716	29.7
173.13126	10.5
187.14835	11.6
189.08813	5.9
189.11180	20.2
197.13185	11.7
225.16467	6.8
275.20135	45.3
293.21146	13.1
301.14734	7.8
345.27734	6.3
431.18979	35.3
510.27002	6.1
550.49683	5.9
603.31958	14.4
603.42163	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	603.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
53.98735	1.8
55.01860	8.3
55.05512	26.3
55.36679	1.9
56.26392	1.8
56.96577	2.1
57.03442	5.2
57.07076	1.9
65.03937	3.7
67.05507	54.0
69.03430	4.6
69.07071	39.0
71.04985	5.9
71.50049	3.9
73.06570	2.6
79.05496	44.4
81.03427	5.7
81.07056	56.3
82.16498	1.8
83.04998	11.4
83.08633	10.2
85.02924	3.3
85.06521	3.5
91.05490	43.8
93.07051	50.5
95.04968	22.5
95.08604	36.8
97.06516	15.4
97.10182	10.7
99.08070	2.2
105.07034	40.2
106.22281	2.3
107.04977	12.9
107.08598	42.0
109.06528	7.1
109.10164	17.4
110.62434	2.0
115.05404	2.0
117.07027	17.5
117.07730	3.2
119.08584	39.4
121.06566	2.5
121.10139	23.5
123.08077	6.3
123.11693	4.3
125.09643	9.5
129.06990	6.0
131.08562	24.0
133.06523	2.1
133.10127	32.6
135.08034	13.2
135.11674	7.4
137.09641	3.9
139.11174	9.3
141.06969	2.6
142.07704	2.6
143.08540	7.0
145.10103	26.0
147.08052	2.6
147.11688	18.4
149.09639	11.6
149.13248	4.8
151.11194	4.1
155.08572	4.1
157.10147	5.8
159.11693	16.2
161.09616	3.5
161.13216	7.2
163.11203	7.4
169.10143	5.3
171.11667	4.4
173.09564	2.6
173.11873	3.2
173.13171	10.0
175.11208	3.2
176.93069	2.1
177.12773	2.6
183.11740	6.5
185.13260	6.2
187.11133	3.6
189.11258	8.0
191.14293	2.7
197.13316	2.2
199.14812	3.1
201.12784	2.9
203.12784	5.5
207.13873	2.9
213.16489	2.8
229.19545	2.8
237.14804	7.3
239.17924	4.9
247.20648	5.7
257.19052	11.2
275.20074	100.0
289.21558	2.3
291.19452	2.4
293.21146	40.1
323.16199	2.7
333.20184	4.7
383.29507	3.9
431.18942	30.0
549.38940	2.8
567.40570	4.6
585.41412	3.3
603.29175	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	603.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01870	11.5
55.05511	41.5
56.96548	5.4
57.03412	6.9
57.07078	4.2
61.49981	3.4
65.03941	5.3
67.05507	54.4
69.03425	6.9
69.07059	24.3
71.08639	20.5
71.50040	5.0
79.05492	71.0
81.03400	5.9
81.07050	48.5
83.04985	7.2
83.08614	21.5
85.06534	4.5
91.05481	46.1
93.07043	54.3
95.04963	14.0
95.08599	44.7
97.06528	9.9
97.10162	21.9
97.15789	3.5
99.08086	19.2
105.07037	34.0
107.04953	100.0
107.08602	36.0
109.06505	6.4
109.10140	25.7
111.08081	7.1
113.15524	4.0
115.05434	4.4
117.06998	12.9
119.08585	34.3
121.10124	20.4
123.08070	5.8
123.11679	4.6
125.09595	20.0
127.63756	3.4
129.06981	8.4
131.08577	18.6
133.10120	18.9
135.08038	40.9
135.11665	15.4
137.09598	8.2
143.08620	8.0
145.10109	14.1
147.08025	9.9
147.11659	11.9
149.09605	6.4
149.13272	9.8
151.11180	10.8
155.58264	3.4
157.10132	9.0
159.08197	3.1
159.11710	12.3
161.09641	7.9
161.13206	13.8
163.11176	4.5
165.09232	4.3
171.10092	3.6
171.11642	7.9
173.11739	11.0
173.13225	3.4
175.14774	4.5
179.14294	6.7
189.11194	26.6
227.17754	3.9
238.47946	3.4
245.18796	3.8
245.98518	3.3
259.20499	3.9
263.20029	23.3
273.18448	30.7
275.19803	3.9
277.21664	32.8
279.23511	3.9
291.19562	42.1
295.22504	6.2
303.23099	5.8
309.20596	4.9
385.30966	6.9
387.29251	4.2
413.30460	5.7
469.01367	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	603.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.3
55.05523	30.1
57.03426	9.5
57.07058	11.2
65.03938	5.1
67.05504	44.6
69.07071	45.5
71.08630	11.5
71.50352	5.1
75.05625	4.3
79.05488	43.4
80.39481	4.2
81.03424	23.1
81.07055	53.7
83.04962	12.6
83.08617	10.6
85.06524	5.4
85.10181	4.6
90.59998	3.8
90.60584	4.1
91.05470	38.4
93.07040	54.3
95.04975	26.5
95.08595	41.8
97.06541	7.9
97.10161	13.8
99.08076	9.7
105.07040	42.7
105.34542	4.0
107.04951	38.9
107.08595	31.1
108.34341	4.0
109.06522	8.9
109.10142	16.9
109.57294	4.1
117.06985	13.7
119.08562	34.0
121.06418	4.9
121.10116	26.9
123.11707	4.9
128.87286	4.0
129.06992	4.6
131.08580	21.3
133.10146	31.5
135.08055	19.9
135.11653	6.3
139.11116	8.0
143.08524	4.9
145.10097	15.8
147.08189	6.7
147.11662	6.6
149.09598	10.8
149.13219	6.0
151.11154	17.3
155.10643	11.8
159.11671	11.6
167.71953	5.0
173.13275	4.9
177.12727	10.8
183.11877	4.2
183.13707	7.0
195.13718	6.5
203.12819	8.6
237.14772	11.5
247.20482	5.8
257.18820	7.2
272.13547	6.0
273.18347	5.4
275.20053	100.0
277.21716	4.8
291.19617	6.7
293.21103	95.6
400.70224	4.4
585.41498	5.2
603.42157	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	603.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61307	4.4
55.01859	6.7
55.05503	17.3
57.03431	5.9
67.05505	37.8
69.07069	48.6
69.26780	42.0
71.05001	3.5
71.08627	10.1
71.81805	3.9
79.05495	44.3
81.03415	7.6
81.07050	41.8
83.04982	16.0
83.08610	11.1
84.42321	3.4
91.05472	33.3
93.07049	47.7
95.04960	22.7
95.08598	32.6
97.06528	7.8
97.10161	7.8
100.68507	4.4
105.07037	33.8
107.04958	25.6
107.08580	28.3
109.06528	8.6
109.10151	12.3
117.07025	7.6
119.08572	26.3
121.10124	20.5
123.08094	5.5
123.11711	4.4
125.09618	5.6
131.08548	20.9
133.10138	21.7
135.08057	18.1
135.11678	7.3
137.09581	5.3
139.11165	7.9
145.10129	9.6
147.11682	7.6
149.09627	15.8
151.11166	17.2
159.11668	8.8
161.09671	6.2
173.13266	4.2
177.12744	6.2
195.13795	4.5
203.12753	12.4
237.14798	19.9
247.20403	3.9
257.19006	6.0
273.18497	11.8
275.17050	5.1
275.20032	100.0
275.22861	7.6
291.19595	9.4
293.21106	98.3
585.40735	5.5
603.39203	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	603.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
53.91856	1.7
53.93917	2.0
55.01875	11.0
55.05515	21.4
57.03418	3.9
57.07066	7.3
57.42846	2.0
60.58580	2.0
63.42397	1.7
64.50485	1.9
65.03937	2.4
67.05504	50.7
69.03416	6.1
69.07065	20.1
69.48708	17.0
71.04982	2.4
71.08630	19.3
79.05496	32.2
81.03413	18.7
81.07054	40.5
83.04984	18.6
83.08601	6.9
85.06535	4.6
91.05480	26.5
93.07041	42.5
95.04963	25.6
95.05518	3.2
95.08601	29.6
96.67314	2.2
97.06529	10.0
97.10149	5.8
99.04460	5.7
99.08092	16.4
105.07028	24.2
107.04949	9.1
107.08589	20.8
109.06482	5.5
109.10166	19.2
111.04439	16.4
111.08099	2.8
113.05944	2.8
117.07012	8.7
119.08568	17.2
121.06490	7.9
121.10135	19.9
123.08009	5.5
123.11727	4.1
125.09650	3.1
129.07042	5.3
131.08577	14.5
133.06464	3.5
133.10147	16.8
135.08075	4.6
135.11685	8.5
137.09592	18.7
139.11148	3.6
145.10127	10.5
147.08076	2.9
147.11694	10.6
149.09650	5.4
149.13243	8.3
151.11165	41.4
153.09093	4.8
155.10638	7.7
156.63647	2.0
157.10072	4.0
159.08081	3.1
159.11664	9.3
161.09621	6.0
161.13246	2.8
163.11182	5.0
165.12723	3.7
165.31363	1.9
167.10675	2.4
167.14346	3.3
171.11812	2.5
173.13307	5.4
175.11165	3.3
177.12749	8.3
185.13214	2.2
191.14299	5.0
193.12173	1.9
195.13789	11.9
199.14909	2.2
199.45456	2.2
229.19556	2.5
237.14850	2.7
247.20599	3.9
255.17531	2.3
257.19037	6.9
259.20679	2.2
273.18384	4.8
275.20090	41.0
276.20477	2.2
277.21622	57.9
277.24429	3.8
291.19485	17.1
293.21100	100.0
295.22668	51.2
309.20706	4.5
311.22083	2.4
567.39966	4.2
585.42145	6.0
603.41443	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	603.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01873	15.4
55.05504	20.1
57.03431	3.0
57.07066	5.7
65.03942	3.5
67.05506	37.5
69.03435	4.4
69.07064	32.0
70.66685	7.4
71.04988	5.4
71.08637	16.4
79.05487	35.8
81.03413	18.8
81.07053	37.0
83.04964	16.3
83.08625	8.2
85.02879	3.0
85.06572	3.6
91.05475	37.5
93.07040	35.7
95.04974	24.3
95.08607	36.1
97.06536	24.0
97.10159	6.8
99.04429	4.1
99.08083	11.4
105.07034	24.2
107.04955	53.3
107.08582	20.2
109.06510	6.4
109.10141	16.1
111.04451	11.0
111.08074	6.0
113.09664	2.4
117.07006	12.2
119.08564	21.8
121.06538	3.8
121.10132	16.9
123.08075	4.8
123.11716	3.4
125.09640	6.5
129.06998	5.4
131.08574	13.4
133.06445	4.6
133.09291	2.6
133.10117	15.9
135.08067	10.9
135.11708	8.5
137.09595	11.9
139.11198	2.8
140.10658	3.4
143.08583	6.1
145.10103	10.3
147.04333	3.5
147.08105	3.2
147.11716	10.5
149.09639	28.1
149.13268	4.9
151.11145	27.9
152.43037	2.5
153.09119	3.3
155.10687	3.7
157.10146	5.5
159.11664	5.8
161.09637	6.1
161.13290	6.7
163.11203	7.0
165.09120	3.9
165.12793	3.8
167.14380	2.8
169.10138	3.4
171.11702	5.4
172.89719	2.7
173.13283	4.3
175.11150	7.2
177.12718	6.6
179.10649	4.1
179.14276	6.3
187.11310	2.9
191.08467	2.6
195.13829	10.6
203.12790	4.5
239.17810	2.5
245.18970	4.5
255.17593	3.5
257.19000	3.1
273.18515	25.2
275.20047	22.7
277.21576	35.1
287.80853	2.7
291.19534	100.0
293.21021	30.1
295.22781	11.7
297.83557	2.5
302.48669	2.7
309.21036	2.4
398.15778	2.4
424.37332	3.5
585.41528	3.9
603.38770	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	604.459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.6
55.05511	23.4
57.03429	5.7
57.07072	5.7
59.05006	7.0
61.11217	3.3
67.05509	26.3
69.07067	31.2
69.19907	12.1
69.20328	24.6
71.08621	3.9
75.69286	3.5
79.05495	17.4
81.03422	12.2
81.07056	22.7
83.04970	12.5
83.08616	8.4
87.04480	19.6
91.05486	17.1
93.07048	33.3
95.04967	7.4
95.08624	22.3
97.06528	7.1
97.10168	10.1
101.81046	3.1
104.35822	3.2
105.07031	11.7
107.04955	37.7
107.08615	14.9
109.10156	10.2
111.04439	7.3
111.11695	3.3
117.06972	6.5
119.08579	10.7
121.06481	7.9
121.10133	14.4
123.08054	4.1
125.09599	10.4
131.08575	9.4
133.10155	8.2
135.08002	6.3
135.11673	7.9
137.09631	3.9
139.11212	4.0
143.08536	4.0
145.10132	4.8
149.09650	18.7
157.10175	4.6
159.11682	4.6
161.09610	7.4
163.07457	4.8
173.11766	5.3
175.11104	3.5
177.12715	25.6
179.10660	3.6
195.13791	3.8
199.13260	5.2
201.10281	3.0
203.10768	4.0
203.12621	4.5
207.10158	10.9
229.14275	5.4
263.16379	10.7
273.18524	12.9
291.19553	100.0
309.20572	4.4
311.25836	17.3
465.35852	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	605.441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83315	3.0
53.03939	8.3
55.01880	16.3
55.05513	63.6
57.03434	3.9
57.07067	8.0
65.03930	3.3
67.05506	80.4
69.03435	9.2
69.06735	5.0
69.07072	50.3
70.19770	13.0
71.04982	6.0
71.08641	15.3
71.67647	3.1
76.84324	3.1
77.04306	3.0
79.05491	81.6
81.03403	8.8
81.07055	100.0
83.04971	13.6
83.08613	29.4
85.02914	4.0
85.06554	4.3
91.05479	60.5
93.07049	90.0
95.04971	25.9
95.08604	64.4
97.06541	12.4
97.10180	37.7
99.08099	12.6
105.07032	57.8
107.04960	12.9
107.08600	56.4
107.09311	4.4
109.06506	7.5
109.10165	34.6
111.08028	4.9
111.11720	3.2
117.07028	15.2
119.08580	38.3
121.06480	4.8
121.10144	42.2
123.08076	10.8
123.11700	10.5
125.09650	32.9
129.06985	8.3
129.79585	3.2
131.08566	25.0
133.10141	43.5
135.08052	19.6
135.11685	25.6
137.09668	7.3
139.11154	17.5
142.38986	3.0
143.08563	5.6
145.10127	19.1
147.11688	25.5
149.09630	13.7
149.13301	6.5
151.11176	11.5
153.09222	3.4
155.08577	3.9
157.10144	8.3
159.11685	12.1
161.09636	5.7
161.13251	17.5
163.11191	6.3
163.14830	9.2
165.12775	5.4
167.10695	5.2
171.11679	8.2
173.11870	4.3
173.13260	7.8
175.11203	3.8
175.14859	8.2
177.12813	4.6
179.14415	5.9
185.13254	5.2
189.11212	24.1
189.12685	5.1
199.14735	4.3
203.12798	15.7
229.19545	4.5
230.17711	3.2
239.17934	4.6
241.19547	4.3
247.20534	6.7
257.19067	9.4
259.20670	8.7
275.20059	71.7
277.21646	72.6
293.21130	23.8
295.22687	19.2
303.23056	4.2
305.20975	4.2
391.28284	6.3
401.30151	3.5
587.43048	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	606.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01618	0.1
52.02848	0.1
53.00307	0.1
53.03950	0.2
55.01865	0.7
55.05511	4.5
57.03439	1.2
57.07075	18.3
61.02918	1.0
65.03930	0.9
67.05500	0.1
69.03429	2.3
69.17146	0.2
69.17464	1.4
71.01357	0.3
73.02915	4.6
73.06557	0.9
77.31754	0.1
80.66917	0.1
81.03436	0.6
81.07067	0.2
84.44443	0.1
85.02905	5.0
87.04477	0.3
91.03962	0.3
91.05491	0.4
93.03405	0.2
95.04976	0.1
97.02893	3.5
97.06542	0.2
99.04456	0.2
102.50835	0.1
103.03963	0.1
109.02870	0.5
111.04424	0.2
115.03919	1.4
119.99947	0.1
121.02862	1.8
121.03980	0.2
127.03928	1.3
129.07007	0.4
131.08583	0.4
133.04964	1.6
137.83720	0.1
143.04874	0.1
145.04929	1.3
145.43048	0.1
149.02336	100.0
150.02666	0.5
160.05211	0.1
161.05969	1.1
163.06046	0.2
164.89290	0.1
167.03401	1.7
175.07545	4.5
185.06018	0.1
190.04988	0.4
203.05402	0.1
203.07024	6.4
205.08598	9.4
221.08066	1.6
223.06013	0.2
223.09618	0.4
241.07050	0.4
259.08124	0.3
277.14337	42.7
278.14612	0.3
291.63757	0.1
295.15414	4.1
301.57980	0.1
317.96613	0.1
384.54108	0.1
458.73642	0.1
588.21155	0.3
606.23804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
54.19408	0.2
55.01862	0.4
55.05510	1.5
57.03433	0.7
57.07075	14.2
61.02916	0.6
65.03939	0.7
69.03424	1.5
69.49844	1.9
73.02924	2.8
73.06543	0.8
77.83123	0.2
81.03418	0.4
81.07069	0.3
85.02905	3.4
87.04454	0.3
91.03908	0.2
91.05483	0.2
91.07597	0.2
93.03384	0.4
95.40694	0.2
97.02307	0.3
97.02892	2.5
97.06531	0.3
99.04461	0.3
107.04932	0.3
108.06152	0.3
109.02864	0.4
115.03922	1.2
121.02862	1.6
121.03792	0.2
127.03905	0.5
133.04970	0.6
145.04964	0.8
149.02339	100.0
150.02634	0.8
163.06046	0.3
167.03413	1.8
190.05113	0.5
205.08604	19.7
206.09053	0.3
221.08084	2.1
237.30867	0.2
241.06937	0.2
277.14346	16.8
293.89285	0.2
295.15427	3.2
373.16843	0.3
444.27042	0.3
588.21704	0.5
602.28094	0.3
606.23322	0.5
606.32330	0.5
611.90625	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	607.2365
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
52.40180	0.3
56.96574	0.4
61.02917	0.4
67.05512	0.5
68.64306	0.3
69.03423	0.6
70.06591	1.1
70.88432	0.3
71.43341	0.7
79.05521	0.4
81.03438	0.5
84.08154	0.6
84.24611	0.3
85.02914	0.9
86.09708	0.9
91.05468	0.5
95.04980	0.5
95.08626	0.4
97.02901	0.8
97.06519	1.6
98.97585	0.5
103.05485	0.5
107.05010	0.7
111.04359	0.5
136.07712	0.4
137.06059	0.4
139.03943	0.4
165.05569	0.8
167.07072	0.7
175.03831	0.4
189.05234	16.7
190.05997	1.8
212.06256	0.4
232.69101	0.4
244.30350	0.4
300.71231	0.4
301.11951	0.6
325.12231	0.5
335.10022	0.6
352.11108	0.4
404.52551	0.4
415.64951	0.3
427.16116	1.0
429.15195	2.1
444.17603	1.5
445.18393	11.1
607.23621	100.0
608.23749	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	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.51548	0.2
56.06756	0.2
56.30422	0.2
58.75025	0.2
67.05487	0.2
69.26018	0.6
69.26440	1.5
70.03389	0.2
74.00902	0.2
79.05495	0.3
81.07072	0.2
81.12051	0.2
84.16050	0.2
86.09698	0.2
112.00455	0.2
166.68921	0.2
169.52066	0.2
177.19936	0.2
195.09177	0.3
207.09250	0.4
209.10838	0.3
223.12473	0.3
234.07610	0.2
247.12563	0.2
300.14899	0.4
312.14926	0.3
324.15039	0.5
371.23898	0.2
374.15173	0.4
375.16190	0.9
376.18246	0.3
387.16129	0.7
388.16760	1.0
389.17664	3.1
390.18466	1.4
391.19064	1.1
401.18015	0.5
402.14111	0.4
402.19028	1.0
403.15714	0.6
403.19583	4.1
404.20197	1.6
405.20877	3.2
413.17969	0.2
415.19415	0.6
416.15704	1.2
416.20969	0.4
417.17078	3.7
417.21118	2.5
418.17776	1.1
418.21777	0.9
419.22565	6.1
420.22925	0.9
429.16858	0.3
430.17258	1.0
431.18259	7.3
432.19196	3.4
433.20187	3.7
434.20529	0.2
435.21756	0.3
443.18683	0.3
444.19510	0.5
445.20206	5.4
446.21021	8.4
447.21725	8.4
448.22620	0.6
449.19791	0.4
457.20340	0.2
459.17499	0.9
459.21991	1.7
460.18835	0.7
460.23724	0.3
461.19354	1.8
462.24408	0.7
463.24942	0.8
473.19501	0.8
473.24304	0.6
474.20496	6.0
475.21106	4.5
476.21887	0.6
477.22852	0.7
478.23590	0.6
487.21667	1.8
488.22400	0.4
490.24115	0.4
491.20096	3.3
501.23090	1.0
503.24896	0.5
504.22232	0.3
505.22504	0.8
506.22821	0.6
518.23541	0.3
519.24097	15.1
520.24255	0.7
529.22168	0.3
532.21057	0.4
547.23444	11.2
548.24036	0.4
551.26709	0.6
579.26056	6.3
589.24164	0.3
607.25513	100.0
608.25873	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	607.2913
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
50.78392	0.2
52.92815	0.2
55.05466	0.2
56.28217	0.2
57.07021	0.6
59.04946	0.3
59.67300	0.2
63.42313	0.2
67.05447	0.6
71.08586	0.3
71.41432	0.3
79.05437	0.3
79.50713	0.2
81.06984	0.4
85.10119	0.2
93.06985	0.2
95.08559	0.3
97.10092	0.2
103.67344	0.2
104.92027	0.2
107.23869	0.2
109.10077	0.3
125.09583	0.3
125.98929	0.2
133.65950	0.2
211.12297	0.2
218.48961	0.2
277.21332	0.2
313.27289	0.5
314.27719	0.3
318.11383	0.2
375.16238	0.2
387.15918	0.4
388.16769	0.6
389.17563	1.3
390.18472	0.4
391.19446	0.2
401.17804	0.8
402.18335	1.2
403.19189	3.2
404.20108	1.4
405.20779	1.9
415.19547	0.8
416.20715	1.0
417.21304	3.8
418.21777	2.0
419.22296	4.0
429.20721	0.6
430.16830	1.0
430.22244	0.5
431.18170	8.2
432.18588	2.1
432.24127	0.5
433.24020	8.8
434.24722	1.6
443.18933	0.2
444.19421	0.7
445.19827	9.3
446.20767	4.5
447.21634	5.1
449.23315	0.4
457.19937	0.3
458.20923	0.3
459.21353	4.7
460.22504	11.8
461.23318	13.3
462.20108	0.3
462.24200	0.2
472.22134	0.2
473.23679	3.4
474.24356	1.2
476.21844	0.3
477.22903	0.8
487.25281	1.9
488.26263	0.3
489.23135	0.6
491.20251	0.2
491.24353	0.7
492.25327	0.9
501.23196	0.2
504.25305	0.3
505.21826	3.6
506.26678	0.5
515.24445	0.6
517.22784	0.3
518.22894	0.5
519.24359	2.0
519.26904	1.8
532.24628	0.8
533.25201	0.4
535.23523	0.2
546.22760	0.4
547.27026	31.7
548.27454	0.9
575.26703	1.1
577.24200	0.3
578.25702	0.4
579.29700	0.6
607.29114	100.0
608.29504	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	607.2914
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
70.56416	1.2
103.43020	0.3
145.02885	0.4
347.13681	0.4
376.18292	0.5
387.16510	0.5
388.16647	0.9
389.17612	1.4
391.18921	0.6
401.17941	0.8
402.18481	1.6
403.19144	3.7
404.19922	1.8
405.20758	1.8
415.19250	1.2
416.20050	1.3
417.16815	1.0
417.21252	5.2
418.21771	2.8
419.22391	3.1
429.21243	1.0
430.17947	1.4
431.17996	8.1
432.18317	1.7
432.23627	1.0
433.24030	11.3
434.24924	1.8
444.18994	0.7
445.19724	11.5
446.20721	5.0
447.21658	4.1
457.20334	0.8
459.21350	5.6
460.22540	16.5
461.23401	17.3
462.23712	1.2
473.23499	3.8
474.24045	1.5
477.23004	0.8
487.25204	1.9
488.25711	0.8
489.23206	0.6
491.24393	1.2
492.25256	0.7
504.25543	0.5
505.21719	2.7
506.26865	0.7
515.24438	0.9
518.22906	0.6
519.27203	2.0
520.24274	0.6
532.24664	1.0
533.25574	0.4
547.27069	54.8
548.27405	1.9
575.26532	1.3
578.25214	0.5
579.29669	0.8
607.29126	100.0
608.29309	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	607.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	0.5
57.03403	0.3
58.99844	0.6
60.39461	0.3
67.05495	1.5
70.31871	1.1
77.00906	4.1
79.05453	1.0
81.03399	0.5
81.07001	1.2
83.04920	0.3
83.08581	0.5
91.05450	0.7
93.06976	0.8
95.01949	3.0
95.04935	0.5
95.08573	0.5
97.06500	0.4
97.10122	0.5
100.02457	0.4
105.06966	0.7
107.08549	0.3
109.10132	0.7
114.44568	0.3
117.07008	0.5
119.08558	0.5
131.01849	0.5
131.08517	0.4
133.10100	0.6
135.11636	0.3
139.06033	0.3
141.03958	0.3
145.10120	0.5
153.03929	0.5
157.10043	0.4
159.04973	0.5
163.11166	0.3
167.05453	0.3
169.07043	0.5
170.04208	0.6
171.05000	0.8
173.06587	0.7
183.08609	0.6
185.06586	0.6
187.08211	1.9
188.05222	0.5
191.07637	0.4
195.04971	0.5
195.08655	0.5
197.10228	0.3
199.08171	0.7
201.09752	2.8
203.07623	0.4
205.09175	1.0
207.05014	2.2
207.08595	0.4
209.10382	0.3
210.07399	0.3
211.08145	0.5
212.05212	0.4
213.09595	1.4
215.11282	1.6
217.10899	0.5
218.98280	0.3
219.10728	1.9
221.06688	1.8
221.10144	0.4
223.11725	1.2
225.06081	1.1
225.09299	0.3
227.11153	1.5
229.12758	0.7
230.06586	0.3
233.12175	0.4
237.13354	1.6
239.07574	0.9
239.11298	0.8
241.12805	1.2
243.14316	0.5
247.13992	0.4
249.13448	0.3
251.11264	0.9
251.15074	0.4
253.12679	0.4
255.14365	4.2
263.11475	0.8
263.14969	0.6
264.12067	1.7
265.12820	1.3
269.12296	0.8
269.15930	0.7
273.17163	1.6
277.12952	1.5
277.15900	0.4
281.12274	0.7
282.13046	1.8
283.13882	1.8
287.13770	0.4
289.16479	3.2
291.14429	1.0
291.17987	6.1
295.13895	1.1
297.16998	0.6
303.17957	0.8
309.15588	0.5
309.19064	6.7
310.19504	0.4
313.16394	1.4
314.19739	0.7
315.18021	11.1
327.20282	0.5
333.19095	100.0
334.19324	4.8
338.19421	0.5
347.20670	0.4
351.20139	9.7
352.20236	0.5
356.20700	9.8
357.21011	0.7
437.25540	0.4
607.38440	82.4
608.38696	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	608.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01850	2.6
55.05501	4.9
56.05024	3.7
56.96566	3.0
57.03436	2.3
61.02925	1.4
65.03944	2.0
67.05506	18.7
68.71845	1.4
69.03434	6.1
69.07058	6.1
70.06568	1.8
70.20486	2.0
70.20850	4.5
71.05001	3.2
72.89588	1.3
73.02937	1.3
79.05493	12.0
80.05000	4.1
81.03426	6.3
81.05786	2.0
81.07052	16.9
82.06586	3.8
83.08611	2.7
85.02901	4.3
85.06538	2.2
86.09746	1.3
87.04469	3.4
91.03951	1.6
91.05495	6.1
93.07047	26.4
94.06575	16.7
95.04961	4.5
95.08604	29.1
96.08125	2.0
97.02888	3.7
97.06533	5.6
97.10111	1.3
105.07020	10.5
107.04978	1.8
107.07326	3.2
109.10143	7.2
110.09691	11.4
111.08073	12.0
119.08591	2.2
121.10120	1.8
122.09673	33.2
123.08064	29.3
123.11701	2.3
128.10715	32.2
128.11664	1.6
133.10130	3.2
140.10704	96.3
141.09097	14.6
145.04921	2.1
158.11763	6.2
229.07462	1.4
270.24316	7.2
285.10120	2.6
362.30923	1.7
365.16266	2.9
380.31528	9.2
383.17325	1.6
392.31650	15.6
409.16058	1.5
409.87634	1.3
410.32651	100.0
411.32950	3.1
428.33621	11.2
504.14001	1.3
565.87762	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	608.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15461	0.9
53.03942	2.7
55.01857	3.1
55.05515	5.6
55.20531	1.0
56.05024	2.7
56.96551	2.1
57.03426	2.9
58.31434	0.9
65.03931	1.4
67.05190	1.6
67.05508	17.1
69.03425	7.6
69.07069	5.2
71.04980	4.6
71.49950	1.7
73.02898	2.5
79.05490	17.0
80.04982	1.7
81.03407	4.5
81.05779	2.2
81.07056	18.4
82.06558	3.8
83.05000	2.2
83.08609	3.4
84.08142	1.0
85.02911	5.1
85.06536	2.9
87.04467	2.4
91.05000	1.1
91.05489	8.6
93.07039	22.4
94.06570	15.6
95.04966	7.2
95.08003	1.4
95.08609	27.7
96.08112	3.1
97.02904	2.3
97.06532	8.7
97.10166	2.1
99.02326	1.2
105.07030	11.8
107.02089	1.1
107.04984	2.4
107.07339	2.6
107.08577	2.3
109.06460	1.1
109.10169	7.3
110.09682	9.1
111.08086	14.3
115.22962	1.0
119.08597	2.5
120.08156	1.2
121.10092	1.7
122.09667	34.1
123.08070	26.2
123.11682	1.5
128.10716	31.5
131.08533	1.5
133.10123	1.6
135.11688	1.7
140.10704	99.1
141.09117	12.3
145.04965	1.3
158.11743	6.9
173.13289	1.2
200.83264	1.1
201.33160	1.2
225.22179	2.5
231.41628	1.2
247.08571	1.6
259.08878	1.2
267.09195	1.8
270.24246	4.7
283.08401	1.6
342.82504	1.1
355.07721	1.2
362.30234	1.1
365.16281	2.3
380.31488	8.3
392.31558	16.4
410.32654	100.0
411.32904	4.0
428.33899	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	608.4004
Annotation	Roseocardin
Peak:m/z	Relative Intensity
53.03940	2.0
55.01867	1.5
55.05510	4.5
56.05032	2.5
60.04542	0.8
67.05505	16.4
69.03426	3.2
69.07065	4.5
69.23414	6.2
70.06582	1.2
71.04996	2.8
79.05496	13.0
80.05019	1.4
80.54327	0.7
81.03438	3.2
81.05798	1.8
81.06604	1.1
81.07054	14.0
82.06581	4.0
83.04976	0.9
83.08620	3.6
85.02897	1.6
85.06545	2.4
87.04463	3.1
91.05484	5.1
93.07047	21.3
94.05968	1.0
94.06570	17.7
95.04971	2.6
95.08608	27.9
96.08125	3.4
97.02901	0.8
97.06533	6.2
97.10156	1.9
105.07034	12.0
107.07337	3.2
109.10154	4.1
110.09679	11.0
111.08082	15.4
111.11741	1.0
119.08559	0.7
122.09670	33.3
123.08070	31.1
123.11678	1.4
125.13302	0.9
128.10721	27.3
129.16205	0.7
137.13248	1.0
140.10704	100.0
141.09108	21.4
158.11749	7.6
207.21078	1.4
225.22067	3.2
243.23239	1.1
264.23755	0.7
270.24274	6.3
288.25317	8.3
298.07675	0.8
306.28021	0.9
314.26932	2.5
380.31610	5.0
392.31717	3.4
398.32651	1.7
410.32642	33.3
411.33096	1.7
428.33710	68.1
429.34088	1.7
535.29736	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	608.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
54.50090	0.8
55.01873	1.5
55.05513	5.8
56.05027	2.2
57.03440	1.1
60.04521	2.0
64.03229	0.8
67.05508	12.0
69.03441	4.2
69.07079	5.2
69.22418	4.7
69.22845	3.6
70.06586	4.4
71.04993	3.4
72.08154	1.2
74.06077	1.2
75.86967	0.7
79.05497	14.6
80.05046	4.0
81.03426	2.9
81.05820	2.0
81.07061	18.3
82.06582	3.0
83.05003	1.0
83.08609	2.6
84.04513	1.0
84.08150	2.7
85.02917	4.8
85.06536	2.1
86.09705	3.5
86.97755	1.0
87.04487	1.9
91.05472	5.3
93.07051	14.7
94.06573	26.5
94.77312	0.8
95.04971	3.3
95.08611	22.9
95.09200	1.9
96.08133	2.9
97.02894	1.6
97.06530	7.9
97.10162	1.9
99.08115	1.2
103.05468	1.4
105.07032	12.9
107.04924	1.1
107.07337	3.9
107.08592	2.3
109.10159	3.5
110.07127	1.1
110.09673	5.1
111.08077	7.0
111.11706	0.9
119.08609	1.3
120.08118	2.4
121.06472	1.3
121.10157	2.0
122.09679	47.0
123.08079	21.5
123.11692	1.7
125.09645	1.0
128.09834	0.8
128.10721	19.5
129.07051	1.2
129.10251	1.1
133.10110	2.2
135.11705	1.5
136.06223	1.1
139.03929	1.2
140.10712	100.0
141.09109	8.6
141.11066	0.8
147.04401	1.4
147.11713	1.6
157.10201	1.3
158.11780	10.0
161.13290	0.9
163.03824	1.0
177.05423	0.9
196.14705	0.9
235.20610	1.7
252.23241	2.7
270.24423	1.8
285.22104	1.1
296.25851	0.9
344.29462	1.0
362.30347	2.3
374.30566	9.2
380.31693	1.3
392.31616	47.8
393.32083	1.1
393.72864	0.8
410.32681	69.9
411.32809	2.0
428.33762	18.8
547.16833	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	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05499	1.3
57.03430	0.6
59.41495	0.5
66.02501	0.4
67.05496	1.9
69.03428	0.7
69.07059	1.3
69.43636	2.6
69.44050	1.8
79.05494	3.3
81.07068	3.0
83.08611	0.6
91.05486	2.1
93.07033	2.7
95.08611	2.4
105.07040	3.0
107.08597	2.2
108.52432	0.5
109.10198	0.6
112.02579	0.5
115.84903	0.4
117.07050	0.8
119.08567	2.0
121.10178	1.3
129.07103	0.5
131.08601	1.9
133.10106	1.3
135.11703	0.6
139.98906	0.5
143.08623	0.9
145.10135	1.9
147.11693	0.8
157.10056	0.6
171.11789	0.7
173.13271	0.9
207.24739	0.6
239.15607	0.6
251.15445	0.8
257.18988	1.1
275.20129	2.8
278.14545	0.6
376.16995	1.1
377.17776	1.7
389.18512	1.4
390.18478	1.0
391.19229	2.6
392.20001	1.9
393.20856	0.8
399.15839	0.7
401.17603	1.1
403.19363	1.3
404.20557	1.1
405.20938	4.6
406.21564	2.6
407.22360	4.1
413.17795	0.5
414.18677	1.3
415.19122	2.6
417.21460	0.6
419.22519	2.0
420.23434	1.2
421.23907	5.4
427.19400	0.7
429.21121	3.7
430.21756	2.2
431.18185	1.1
432.19397	0.9
433.11450	0.6
433.20355	1.2
441.20996	1.0
443.22922	0.9
444.23105	1.8
445.19986	1.1
446.20947	1.1
447.17212	2.6
449.23599	1.2
452.22165	0.7
457.24435	2.7
459.21887	3.2
460.23187	1.5
461.19226	6.8
462.20358	3.1
463.21591	2.0
470.21292	0.7
471.17398	0.7
472.22842	1.5
474.20676	1.5
475.20917	9.9
476.21762	9.2
477.22388	6.4
478.23907	0.9
479.24435	0.8
485.23611	12.0
486.20087	3.1
487.25372	1.6
488.22247	1.0
489.22882	6.5
494.26993	1.1
497.23694	0.7
499.21252	2.6
500.22104	2.0
501.78259	0.7
503.24484	8.3
504.20755	1.0
505.22275	0.8
513.22760	2.3
515.24451	10.1
517.22589	1.1
521.26038	4.1
531.23914	18.7
535.23602	1.0
541.22449	0.9
549.24786	3.0
550.25885	5.3
559.23431	8.3
577.24261	1.7
591.26056	33.2
609.27051	100.0
609.44830	3.5
610.27332	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	609.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01873	5.6
55.05511	10.0
57.03437	16.5
61.02928	36.6
64.15596	1.3
67.05507	19.5
69.03432	22.2
69.07063	6.6
69.88101	3.2
69.88519	4.7
70.06586	7.9
71.01344	2.1
71.04984	7.5
72.08146	3.3
73.02912	14.0
79.05495	19.7
81.03418	95.5
81.07049	20.1
83.04989	14.9
83.08612	20.2
84.04509	1.7
84.08141	4.8
85.02905	54.4
86.09692	5.3
86.75360	1.4
87.04495	2.3
91.03958	26.0
91.05479	23.4
93.07042	13.1
95.04391	2.5
95.04969	33.9
95.08601	9.1
95.89362	1.7
97.02892	37.8
97.06535	5.1
97.10183	4.0
98.20833	2.0
98.97594	1.8
99.04449	5.6
99.08086	1.6
101.02353	3.1
103.03932	5.1
105.07040	20.6
107.04972	11.3
107.07916	1.2
107.08585	9.0
109.02866	10.2
109.06535	7.0
109.10139	2.9
111.04428	5.0
111.08061	11.5
113.06012	2.7
119.08577	14.0
120.08064	2.3
120.12722	1.4
121.06458	2.6
121.10144	9.2
123.04420	4.8
123.11706	4.0
125.09604	2.1
127.03912	19.0
129.05461	4.7
129.07001	9.8
129.10234	2.8
131.08583	13.2
133.06474	3.0
133.10146	12.5
137.09607	2.3
145.04942	11.1
145.06569	2.3
145.10107	3.2
147.04424	2.0
147.08014	4.4
147.11694	17.3
149.09637	7.3
157.10129	16.3
163.05989	5.1
163.11186	3.6
165.05470	2.7
165.12770	5.5
167.07104	1.6
175.11157	18.4
177.00725	1.4
180.07265	2.8
181.04977	2.2
183.06528	5.3
191.14536	1.6
193.12247	85.0
201.07591	2.4
211.13292	65.7
229.14275	3.1
235.13353	5.2
249.14891	3.6
252.09422	2.5
267.15903	53.2
273.14847	2.0
285.16956	100.0
301.14261	3.4
309.17044	15.4
319.14963	1.7
324.11462	1.6
333.11908	2.1
349.12985	1.5
351.17886	3.2
363.18051	3.3
375.17874	5.3
393.18936	6.3
411.20029	6.0
429.21164	16.2
609.20636	2.4
609.43207	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	609.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.0
54.53994	2.3
55.01874	6.5
55.05520	12.7
56.96567	4.9
57.03433	5.1
57.07074	5.4
59.05016	3.0
61.02926	3.7
61.54924	2.4
67.05508	41.9
68.05841	2.6
69.03420	13.3
69.07069	22.7
70.06596	5.2
71.04991	8.5
71.29141	2.4
71.49496	4.4
73.02899	3.1
75.04500	2.7
79.05493	39.6
81.03420	20.2
81.07063	42.9
82.06567	2.8
83.04978	6.7
83.08634	12.6
85.02908	14.7
85.06559	4.0
86.09710	7.2
86.21963	2.4
87.04455	3.0
91.05480	27.7
93.07047	41.1
94.06577	12.1
94.07387	5.9
95.04391	5.2
95.04976	79.7
95.08608	46.6
96.08935	4.8
96.92339	2.1
97.02903	7.8
97.06533	20.0
97.10194	6.5
99.04454	3.0
103.03963	4.0
103.05470	3.9
105.03362	2.5
105.07037	23.0
107.04952	44.6
107.08606	22.1
109.02894	14.4
109.06516	6.9
109.10142	26.6
109.10747	2.5
110.09662	7.1
111.04441	4.7
111.08083	11.1
117.07037	2.7
119.04954	5.0
119.08562	19.1
120.94086	2.2
121.06529	7.7
121.10127	19.4
122.09678	18.4
123.00775	4.8
123.04429	32.1
123.08085	20.2
123.10005	9.1
123.11691	13.4
124.08364	4.7
125.09658	3.5
127.03937	5.8
128.10707	20.3
129.02373	2.5
129.06998	4.0
129.11084	5.2
131.08572	5.4
133.02850	3.3
133.10184	12.1
135.04430	2.9
135.11696	27.3
139.03932	11.0
140.10710	53.8
141.09100	11.2
141.11029	16.9
143.08501	3.1
143.10669	4.4
145.10129	7.4
147.04486	5.6
147.07945	2.6
147.11707	8.5
149.13245	13.2
151.03909	89.5
151.07585	2.8
153.05411	4.3
153.12830	3.4
157.10094	5.0
159.08034	3.0
161.05951	3.1
163.03944	4.4
163.11194	4.5
163.14885	4.1
165.05473	100.0
166.11502	2.8
167.07053	10.8
169.10162	2.8
175.03946	4.9
175.11147	2.5
177.05511	8.3
177.12802	3.0
181.12254	3.5
183.06555	6.0
191.07002	3.2
193.05000	28.2
193.12323	3.6
195.06537	7.9
203.17915	4.6
205.19518	14.3
205.29361	2.4
209.08151	8.3
211.05936	4.2
211.13306	4.3
221.19057	3.2
225.07552	19.4
227.09154	8.4
234.00478	2.8
250.47206	2.3
275.20023	4.2
280.08228	3.4
285.10095	3.9
289.25638	2.5
321.64737	2.7
349.23941	4.7
381.31952	5.0
382.06470	2.6
393.31943	7.3
397.23447	3.6
410.32538	11.8
411.32993	42.1
415.25345	3.2
428.33334	5.8
429.27109	5.1
429.34039	29.8
447.27652	3.4
481.96313	3.0
507.23572	8.3
591.24237	5.0
609.25537	10.2
609.32904	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	609.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38332	2.0
52.69207	2.2
52.73674	2.6
55.05488	3.8
57.07063	3.9
67.05495	8.2
67.46089	2.1
69.03419	6.3
69.07049	3.0
70.53779	2.5
70.54107	4.9
75.21661	2.1
79.05495	14.1
81.07041	10.1
85.02904	2.5
86.00841	2.6
91.05473	9.4
93.07015	8.0
95.04929	2.8
95.08595	9.6
105.07011	13.0
107.04944	4.2
107.08576	22.0
109.06499	6.0
109.10137	8.0
115.05405	3.3
119.08568	5.1
121.10134	13.1
122.07240	8.7
125.09635	2.8
131.07033	2.4
131.08585	3.2
133.10123	100.0
135.08014	9.1
135.11772	2.9
137.09618	55.7
147.11620	2.6
149.09601	5.1
149.13260	11.3
151.11162	9.7
163.14807	4.4
173.13268	6.4
191.14294	50.5
200.70029	2.1
209.15344	9.4
238.77859	2.2
282.28043	6.3
294.27719	2.7
310.30991	3.2
333.81412	2.5
336.01804	2.4
353.35544	2.7
479.88742	3.2
609.34021	3.5
609.44769	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	611.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
56.96544	0.3
57.07071	0.3
67.05486	0.3
69.03412	0.4
69.07080	0.5
70.06606	0.2
70.11478	0.5
70.11870	0.7
73.02911	0.9
78.91670	0.3
79.05477	0.6
81.03406	0.3
81.07055	0.4
85.02892	0.8
90.63113	0.2
91.05496	0.3
93.07046	0.4
95.04952	0.3
95.08617	0.4
97.02895	0.3
97.06538	0.7
105.07037	0.4
109.10195	0.4
113.05799	0.2
119.08579	0.2
121.10093	0.2
127.03893	0.3
129.06999	0.3
133.10104	0.3
147.04433	0.2
147.11729	0.3
149.02330	4.4
153.01846	0.7
155.03223	0.3
163.03871	0.3
167.07152	0.4
175.07515	0.4
196.72920	0.2
203.05281	0.6
215.05273	0.3
245.07887	0.9
257.10022	0.7
261.07257	1.1
275.07407	1.2
275.11041	1.9
275.49820	0.2
299.12708	1.1
317.08438	2.0
317.13565	1.3
327.04984	0.4
329.12131	0.4
335.09476	7.6
389.14166	4.6
395.11417	0.7
407.15207	5.4
423.12762	0.9
479.18878	3.8
555.16846	0.9
593.23920	0.3
611.23053	100.0
612.23358	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	611.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
55.05506	0.7
56.93473	0.3
57.03436	0.3
67.05498	1.0
69.03436	0.5
69.07059	1.1
69.65694	1.4
70.06593	0.5
73.02925	0.3
79.05489	0.9
81.03397	0.3
81.07059	1.0
83.04985	0.3
85.02909	0.4
91.05488	0.9
93.07074	0.7
95.04969	0.4
95.08617	0.4
97.02905	0.4
97.06517	0.5
105.07025	0.3
105.25524	0.2
109.10154	0.4
119.08595	0.7
121.06506	0.4
121.10182	0.3
133.10150	0.5
135.08003	0.3
137.05969	0.7
147.04474	0.4
149.02293	0.5
150.07118	0.2
151.03868	0.3
153.01839	3.9
153.05461	0.3
161.06049	0.3
161.09566	0.4
163.03960	0.7
167.06993	0.5
173.06145	0.3
181.05005	0.9
203.03552	0.4
215.03503	0.3
245.07925	0.6
261.07385	0.6
268.16275	0.3
275.07922	0.4
275.11008	4.0
283.05954	0.3
295.05765	0.3
303.67075	0.3
311.05753	0.4
313.03482	1.0
317.08411	0.8
317.13681	0.8
323.05228	0.5
327.05054	1.1
333.08066	0.9
339.05099	1.1
339.10175	0.3
381.09772	1.2
389.14127	3.0
395.11060	1.2
407.15244	12.5
408.15778	0.4
423.12701	1.0
479.18826	6.4
480.19144	0.4
555.16541	0.6
557.21362	0.3
575.22357	0.8
593.23456	1.2
611.23035	100.0
612.23297	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	611.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.05509	22.2
57.03434	3.7
57.07053	2.8
57.41403	2.9
67.05508	46.5
69.07072	19.3
70.21265	3.1
71.04989	3.1
79.05502	33.8
81.07062	56.5
85.06533	3.0
91.05486	24.2
93.07037	26.6
95.08607	36.9
97.06540	6.2
97.10162	3.5
105.07035	36.0
107.08602	19.2
109.10157	15.1
110.73071	2.8
117.07053	13.6
119.08605	28.4
121.10190	16.6
123.11736	5.4
128.06256	3.1
129.07031	9.6
131.08577	21.3
133.10124	21.9
135.11719	12.6
141.06984	3.8
143.08577	14.4
145.10165	19.4
147.11716	13.3
149.13303	5.4
155.08597	6.3
157.10164	12.7
159.11740	13.5
161.13297	8.3
163.14783	3.7
169.10197	6.2
171.11774	12.4
173.13313	12.4
175.14879	5.2
183.11745	7.3
185.13260	7.9
187.14975	5.3
195.11754	5.4
197.13280	4.5
199.14851	4.2
213.16360	3.3
215.17982	3.0
229.73677	3.5
241.19597	9.8
257.19138	4.2
259.20544	13.7
261.22278	5.6
333.24329	8.5
335.25882	21.1
371.91873	3.3
467.36310	2.9
477.22330	6.4
517.25031	3.2
519.42120	8.1
521.32513	8.2
533.24469	6.3
537.43372	4.4
593.26624	18.3
593.45636	9.7
611.27649	60.1
611.46826	100.0
612.28455	5.8
631.31689	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	612.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01862	2.5
56.20816	1.1
57.03446	2.2
59.04995	4.7
67.05515	2.2
68.88489	1.2
69.03432	2.5
69.55149	1.9
69.55555	5.6
70.06590	2.2
71.01357	1.7
71.05000	4.1
72.08158	1.2
73.02921	1.8
74.47907	1.0
76.54085	1.1
79.05493	13.4
81.03397	5.2
81.56857	1.0
83.01330	1.7
83.04988	2.2
85.02890	6.8
86.09682	1.3
87.04450	2.1
91.05484	4.8
93.07054	5.1
95.01324	1.7
95.04974	23.9
97.02888	5.2
97.06474	1.1
98.20782	2.2
99.04449	1.5
101.02378	2.2
103.03977	1.4
103.05489	6.8
105.03457	1.1
107.04960	100.0
109.02880	48.7
109.06518	4.9
111.04459	2.0
115.03897	2.6
121.06506	12.5
123.04449	7.8
123.47695	1.0
125.02383	7.2
125.06023	1.5
127.03933	2.7
129.01833	1.9
131.04915	4.0
133.02835	2.4
135.04424	5.6
137.05966	1.7
139.03912	26.2
139.07416	1.3
143.03381	2.1
149.05991	19.5
151.03899	26.5
151.05005	1.8
153.05481	3.2
157.01358	1.9
157.04971	1.7
159.04419	4.2
165.05487	63.7
167.07047	19.5
177.00688	1.1
177.05476	48.0
178.08487	1.6
181.05029	1.2
189.03929	13.1
191.07083	3.7
195.06528	21.8
206.08177	1.5
207.05060	7.1
209.08093	72.9
210.08441	1.4
217.03412	1.5
225.06049	1.6
227.09138	26.0
237.02805	1.2
303.05023	4.3
304.05258	6.8
327.59326	2.0
339.07083	2.2
345.08032	1.4
357.32465	1.1
365.08652	3.8
383.09717	15.9
397.11240	2.0
401.10660	5.1
415.12518	5.8
433.13333	2.8
572.67621	1.1
612.28186	2.6
641.97815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88187	1.1
56.96562	38.5
61.89246	1.1
67.05506	3.2
69.07052	1.9
71.50199	1.7
71.95254	3.6
72.96009	1.3
74.97607	1.9
79.05482	2.4
81.03404	1.5
81.07034	3.5
83.04969	1.7
84.96024	4.4
91.05475	4.0
93.07030	3.8
94.26069	1.2
95.04980	1.8
95.08601	2.3
98.97575	60.2
105.07029	3.8
107.08573	3.2
109.10108	2.8
110.97550	2.4
112.99130	11.6
115.97668	1.1
116.98616	55.2
119.08557	3.7
120.35161	1.3
121.10127	1.8
123.08055	1.5
128.83083	1.2
128.98579	6.2
131.00160	39.7
131.08597	1.6
133.10109	2.2
134.98676	2.2
134.99660	38.0
135.08025	1.8
140.00188	3.7
140.98599	1.5
143.00124	6.2
145.10107	1.7
146.99611	10.0
149.01213	67.9
153.00664	4.1
154.01740	4.0
157.10107	1.4
158.01213	3.8
158.99654	25.6
161.01210	17.9
162.99075	1.5
165.00722	2.1
167.02295	16.4
170.99698	3.6
171.11746	1.3
172.02817	6.6
173.01216	6.0
175.02821	2.4
177.00706	64.8
179.02243	3.3
185.01215	3.2
189.00716	6.8
191.02248	10.1
195.01785	9.3
199.02777	8.4
200.02344	8.9
203.02328	8.7
203.05760	1.5
205.04068	1.4
207.11642	1.1
209.01166	3.0
212.02338	1.4
214.03882	3.1
215.00301	1.2
215.02287	3.3
217.03818	8.9
219.01788	11.2
221.15288	1.6
226.03848	1.8
227.02293	6.7
233.03334	3.9
233.15411	2.1
237.02730	9.4
237.98566	1.4
240.05449	1.7
245.10672	1.9
255.03879	2.5
256.04868	1.3
260.04492	1.7
267.95377	1.4
275.04337	15.4
293.05420	67.7
299.71637	1.2
309.04831	3.0
311.06497	15.0
316.06998	10.6
317.17865	100.0
318.18210	1.2
332.06558	1.3
333.17218	1.6
334.08163	2.6
335.18930	58.6
336.88760	1.2
358.20560	17.0
373.25064	1.6
377.19971	9.1
391.21429	4.0
403.21506	1.7
497.24088	4.3
553.26831	67.5
613.34143	1.9
613.41351	2.0
627.84320	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.92495	1.8
53.03941	3.4
55.05507	14.4
57.03437	3.0
57.07067	3.0
67.05145	2.3
67.05508	46.1
69.07072	13.4
70.17123	1.7
71.04990	1.8
71.07543	4.3
74.25591	1.8
79.05497	23.8
81.07057	44.9
83.08630	10.0
91.05482	20.2
93.07043	33.4
95.04973	3.9
95.08608	40.6
95.65667	1.8
97.10160	4.6
105.07030	25.2
107.08582	20.0
109.10161	18.0
116.49406	1.8
117.07014	9.5
119.08580	18.7
121.10149	16.3
123.11722	7.7
129.06984	4.3
131.08563	20.1
133.10143	16.8
135.11717	8.9
137.13322	2.9
137.79114	1.8
143.08612	5.5
145.10130	12.3
147.11719	11.1
149.13290	6.9
157.10118	6.0
159.11711	10.9
161.13251	9.2
163.14912	3.5
171.11743	3.5
173.13248	9.5
175.14882	5.7
183.11874	2.1
185.13286	4.7
187.14832	7.3
189.16408	4.0
199.14908	3.1
201.16466	3.1
203.17976	1.8
213.16452	2.3
225.73459	2.3
231.20943	2.4
241.19661	3.0
251.69022	1.8
259.20685	8.6
261.22089	9.8
279.23514	2.8
298.48868	2.0
313.25009	2.1
317.24686	2.4
333.24344	7.2
335.25797	16.0
337.27420	11.4
401.35703	2.0
474.01331	1.9
489.35974	1.9
503.37381	2.8
521.43597	6.8
529.38855	2.4
539.44556	2.5
571.43622	2.4
595.47211	10.0
613.48309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	16.7
56.65475	5.5
56.99548	5.3
57.03436	14.4
62.83469	4.7
67.05510	55.7
69.07068	25.7
69.20755	36.2
69.21169	14.6
75.76260	5.3
79.05494	21.7
81.03418	78.2
81.07061	47.6
83.08620	22.6
89.06028	17.4
91.05475	21.4
93.07044	25.9
95.04984	25.2
95.08606	32.7
97.10130	5.6
98.21543	10.8
105.07045	14.1
107.08607	8.4
109.10159	20.4
111.08042	5.3
119.08581	15.3
121.10142	11.2
123.11658	6.9
129.07053	7.8
131.08546	10.0
133.08594	12.9
133.10146	14.0
145.82056	5.6
147.11684	10.5
147.60179	5.1
157.10143	10.6
163.27266	4.7
170.33926	4.8
170.94843	6.0
175.11218	7.7
193.12328	20.0
235.13087	5.7
251.18053	5.1
267.15912	100.0
337.27356	97.0
395.79550	4.7
529.38904	86.9
547.39606	23.2
552.03235	6.6
621.48102	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	615.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58308	1.0
52.44481	1.0
53.03927	1.9
55.05514	5.4
57.07068	7.1
63.04765	1.1
67.05506	11.4
67.92557	1.1
69.07066	8.1
69.18996	12.5
79.05497	5.7
81.03411	1.7
81.07047	17.1
83.08617	6.0
89.03914	8.2
89.06014	1.3
91.05479	7.9
93.07038	12.1
95.04946	3.3
95.08602	27.7
96.86009	1.1
97.31885	1.1
98.45415	1.0
105.07040	13.5
107.08588	18.9
109.06525	1.9
109.10154	15.9
114.08330	1.1
117.03378	20.3
119.08582	13.9
121.06473	1.7
121.10143	20.8
123.08026	1.4
123.11687	9.4
128.06169	1.3
129.07019	1.8
131.08583	8.7
133.10127	10.9
135.04391	1.2
135.11700	9.8
137.13251	37.6
139.11134	1.3
143.08582	6.1
145.02847	53.7
145.10132	10.5
147.11722	6.2
149.05974	8.9
149.09641	1.3
149.13242	9.8
151.11148	1.6
151.14854	1.8
155.08499	3.5
156.09290	1.9
157.10107	6.2
158.10840	1.3
159.11674	8.2
161.13263	9.8
163.14818	4.3
169.10130	5.2
171.11700	6.2
173.13283	4.6
175.14836	4.7
177.05466	100.0
177.16402	3.3
178.05763	2.0
181.10141	1.8
182.10933	1.9
183.11661	5.5
185.13203	3.4
186.05449	2.7
187.14812	2.8
191.17912	5.0
194.10730	1.6
195.06587	1.8
195.11713	2.7
197.13251	4.6
199.14702	1.9
201.16341	1.9
203.17952	6.8
207.11655	1.5
209.13185	2.8
211.14763	3.3
215.18021	3.0
223.14851	1.5
225.16353	2.3
227.18028	2.8
239.17943	4.1
241.19591	1.4
251.18071	5.2
253.19487	6.4
257.18912	1.4
265.19507	3.1
266.67841	1.2
267.21075	5.3
269.18912	2.5
281.22678	2.7
305.23022	1.3
331.15805	1.3
333.26001	1.5
347.27100	1.3
361.28897	4.3
403.33606	12.3
421.34445	1.6
447.25146	2.9
555.34497	3.8
573.35596	2.3
597.39374	8.2
615.40649	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	615.405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64125	0.9
53.00029	0.7
53.03931	1.9
55.05508	7.8
57.03445	0.8
57.07074	7.7
65.03955	1.2
67.05502	12.8
69.07069	9.0
70.02969	3.8
70.03243	0.8
71.22960	0.9
79.05492	7.7
81.03423	1.5
81.07059	18.4
83.08621	7.1
89.03910	5.7
91.05476	10.4
93.07048	18.5
95.01299	0.9
95.04980	3.8
95.08000	1.8
95.08606	31.1
97.06567	0.9
97.10171	2.4
98.21505	1.0
101.63668	0.8
103.05470	0.9
105.07030	16.8
107.04983	1.5
107.08593	23.5
109.06530	2.2
109.10157	19.1
111.08063	1.1
117.03382	16.8
117.07026	3.2
119.08578	19.3
121.06490	1.3
121.10144	24.0
123.08073	2.5
123.11724	9.9
125.09689	0.8
128.06245	1.9
129.07027	3.0
130.07779	0.9
131.08585	10.9
133.06500	1.5
133.10124	12.5
134.03647	1.1
135.04362	1.2
135.08054	2.3
135.11691	12.3
137.09668	1.1
137.13255	41.6
138.13548	0.9
139.11211	0.8
141.06985	1.6
142.07820	1.7
143.08568	5.9
144.09357	0.9
145.02846	49.6
145.10127	13.0
145.11168	1.3
147.04449	4.3
147.08070	1.4
147.11720	5.6
149.05991	5.8
149.09665	1.2
149.13280	9.7
151.07562	1.0
151.11185	1.1
151.14836	2.1
155.08548	4.0
156.09387	1.4
157.10135	7.1
159.08093	1.0
159.11696	10.3
161.09593	1.1
161.13269	8.9
163.14853	5.2
165.09120	1.7
165.12769	1.1
165.16397	1.1
168.09317	1.1
169.10138	7.2
171.11678	6.4
173.09535	0.8
173.13242	5.3
175.11182	1.3
175.14732	4.6
177.05475	100.0
177.16396	4.7
181.10208	2.1
181.12254	1.1
182.10913	1.5
183.11650	7.3
185.13257	3.4
186.05428	3.7
187.11124	1.0
187.14795	3.0
189.16362	2.9
191.17986	6.2
193.10207	1.4
195.06561	3.8
195.11705	6.3
196.12376	1.4
197.13370	5.1
199.14861	2.7
201.12801	1.0
201.16415	3.0
203.17918	7.2
207.11707	1.2
209.13249	3.9
211.14853	2.8
213.16441	2.3
215.17993	2.7
221.13316	1.3
221.15363	3.3
223.14812	1.7
224.15608	1.0
225.16351	4.4
227.17964	3.2
229.19537	2.3
235.14803	0.9
237.16422	1.4
239.18024	6.1
241.19518	3.5
243.17390	1.0
243.21069	1.2
249.16457	1.2
251.17926	6.3
253.19493	9.3
255.20975	0.9
257.18982	0.8
259.13361	3.7
265.19574	4.1
265.63736	0.8
267.21042	5.6
269.18991	1.3
275.20178	2.1
281.22662	2.3
282.92117	0.9
285.22061	1.2
289.17941	0.9
291.21304	1.2
293.22495	0.8
305.22589	1.0
319.24078	1.3
333.17120	1.3
339.28937	2.1
347.27304	1.1
361.28708	5.7
403.33582	14.6
411.21561	1.5
421.34674	1.3
433.23563	0.9
447.25174	4.0
459.25247	2.1
463.24841	2.4
555.34680	5.1
573.35541	1.2
597.39294	11.1
615.40509	11.4
615.49841	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93359	1.0
53.03938	1.9
53.86203	0.8
55.01876	5.2
55.05514	5.6
56.05029	0.9
56.96556	1.1
57.03426	1.6
57.07051	0.9
58.99574	2.5
64.95159	0.7
65.03926	1.4
67.05503	11.7
69.03421	3.2
69.07076	14.8
69.16978	0.7
70.02952	2.3
70.06577	1.9
71.05001	1.9
72.08167	1.0
73.01131	1.0
73.02943	1.0
74.00658	2.4
76.02221	1.9
76.03989	1.2
77.97874	0.8
79.05495	16.0
80.05014	2.7
81.03425	11.1
81.07059	17.2
82.06584	1.0
82.07391	0.9
82.44981	0.8
83.04989	3.7
83.06087	1.8
83.08606	2.6
84.04501	8.9
85.01128	1.5
85.02902	4.4
85.06535	1.6
86.00636	2.1
86.09710	1.6
86.99049	1.5
88.02249	1.1
88.03985	1.0
91.05489	9.7
93.07050	12.0
94.06572	2.1
95.04980	4.9
95.08608	10.8
97.01099	4.2
97.02895	1.5
97.06532	6.9
97.10143	2.2
99.05570	1.3
99.08054	1.6
100.02178	0.9
103.05450	1.2
105.07038	8.2
106.06587	1.0
106.86278	0.8
107.04962	28.7
107.08603	9.4
108.04523	1.1
108.05239	1.1
108.08113	1.7
108.08878	1.3
109.02886	3.4
109.06518	2.5
109.07669	0.9
109.10154	6.1
111.02647	1.6
111.04455	1.3
111.08062	2.0
112.02162	2.7
113.00596	4.3
116.01676	5.4
117.07023	5.9
118.06536	1.4
119.08578	8.4
120.08102	1.3
121.06490	3.0
121.10169	4.4
122.09621	1.1
123.02625	1.2
123.08057	3.3
123.11709	1.8
125.09617	1.3
126.03730	2.1
127.02162	1.0
128.01691	0.8
129.06905	3.0
130.04977	2.5
130.06482	1.8
131.08571	7.1
132.08102	1.1
133.06505	2.3
133.10106	5.6
134.09682	1.4
135.02663	1.4
135.08054	4.0
135.11678	2.5
136.02187	1.2
136.03885	1.3
137.05995	1.5
137.09613	2.9
138.03738	3.2
139.02130	1.4
139.03076	1.0
143.08522	3.2
144.01176	0.9
145.06070	7.4
145.10143	4.1
147.08073	1.6
147.11681	2.8
148.11121	1.2
149.05969	1.4
149.09630	15.4
149.13278	1.3
150.03699	1.4
151.03873	1.0
151.05800	1.0
151.11165	0.8
152.05264	1.1
153.06604	2.4
155.08389	1.1
157.06544	1.0
157.10143	3.0
159.08125	1.4
159.11678	2.5
160.11171	1.6
161.09647	2.2
162.02208	2.6
163.11232	1.2
165.05443	1.5
165.07304	0.8
166.05716	1.1
167.07022	2.1
171.11679	1.9
173.09596	1.1
173.13246	1.1
175.11176	3.2
177.05522	2.5
177.12730	1.3
179.04961	1.4
181.04846	2.0
181.06230	1.4
185.03822	4.5
186.06384	1.0
187.05240	1.0
189.09172	0.9
189.12743	1.5
193.06755	0.9
193.12175	1.5
194.09969	3.0
199.07178	2.3
203.10815	0.8
205.09061	1.1
206.09985	0.9
209.08160	2.2
212.11154	0.9
221.11804	1.3
224.10977	1.2
225.09274	1.0
231.04330	8.1
236.10986	1.1
239.04832	4.3
240.10681	1.3
242.12183	1.0
245.18875	1.1
246.14886	1.3
254.12071	2.9
262.12720	1.5
266.12082	1.0
273.18546	3.6
275.19995	1.2
280.13651	2.3
286.17935	0.9
288.19604	0.8
290.21216	1.3
291.19540	33.0
304.17233	1.2
305.15695	4.5
311.13904	1.0
314.21106	0.9
322.18228	6.2
323.16809	1.8
330.18768	1.6
331.17337	4.0
348.20029	11.4
349.18350	4.9
357.14774	2.2
366.20978	5.4
367.19406	7.4
390.16519	1.9
399.32544	1.0
400.32935	0.9
405.21979	3.4
417.33551	1.7
418.33829	3.3
433.21634	3.3
436.34500	1.8
436.44955	0.9
451.22626	100.0
452.22876	1.2
454.36078	0.9
469.23727	35.2
523.25153	3.9
541.25940	6.7
598.27527	2.5
616.29260	5.5
616.44269	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	617.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.5
52.94762	0.5
53.03939	0.9
55.01867	0.8
55.05515	0.8
56.96542	0.4
57.03431	1.5
61.02919	1.7
62.20537	0.5
65.03944	0.6
69.03425	5.0
70.06598	5.7
71.01334	0.9
71.04993	0.7
71.48981	0.5
71.49378	0.7
72.08157	1.5
73.02914	1.8
79.05511	2.8
81.03429	3.2
83.01321	0.5
83.04984	0.6
84.04498	1.0
84.08157	3.6
85.02908	7.4
86.09238	0.5
86.09692	2.6
87.04492	0.6
91.05486	4.4
93.07050	1.3
95.04982	2.2
95.08604	0.6
97.02898	4.2
97.06538	0.5
98.97570	0.8
99.04463	0.8
100.07617	1.1
103.05451	1.4
104.04978	0.8
105.03398	1.7
105.07037	1.6
107.04950	4.2
109.02863	1.9
111.04459	1.0
114.48953	0.4
115.03922	0.5
115.05463	1.1
117.07012	2.5
119.04955	1.4
119.08594	1.2
120.04508	2.5
120.08124	1.6
121.02701	0.5
121.06510	1.3
121.10165	1.1
125.02348	1.5
127.00056	1.2
127.03939	1.7
128.06245	1.6
129.04466	8.8
129.07007	3.4
129.10283	1.4
130.02902	3.7
131.04953	1.1
131.08591	3.6
132.04469	1.5
133.06480	1.6
135.03030	0.7
135.04399	1.0
136.06161	0.6
136.07599	0.8
137.02310	0.6
137.05960	0.8
138.03015	0.5
139.03915	7.9
140.15865	0.5
141.07008	1.8
145.04988	0.8
145.06488	1.3
147.04509	2.1
147.05533	55.1
147.07990	2.6
147.13983	0.6
149.02235	0.6
149.06010	1.1
149.09613	1.2
151.03827	1.1
152.05673	35.0
153.04283	2.5
153.06149	4.1
155.07043	2.6
157.06517	2.9
158.07222	0.7
159.04399	1.4
159.05533	12.8
159.08031	2.8
161.02251	3.0
161.06012	1.4
163.03894	1.0
163.07446	0.5
165.05481	1.6
167.07095	0.6
167.10674	2.5
169.06516	1.3
175.04031	0.7
175.07472	2.6
177.06638	13.9
179.03186	3.9
181.01140	1.7
181.04688	2.4
185.05971	4.3
187.05049	13.9
187.07494	2.8
189.05431	0.8
191.07077	1.1
194.74266	0.5
203.06924	3.3
205.04744	0.6
207.06418	0.6
213.03650	1.2
213.05540	2.3
215.07077	1.3
217.04704	0.7
217.08592	1.3
220.26434	0.5
229.03252	6.0
230.11339	0.8
231.06480	2.6
235.05788	0.9
244.05717	0.5
245.08078	1.5
245.10999	0.5
247.04399	0.7
249.07408	3.1
259.05994	1.1
263.08868	0.9
265.09735	5.7
267.07529	0.5
277.06973	0.6
291.07806	0.8
303.11304	0.8
305.10074	0.9
305.13266	0.6
305.17560	0.9
309.08749	1.9
321.12347	0.9
323.18555	1.2
331.10901	1.3
333.12262	1.1
349.11856	2.5
353.04791	8.3
359.10175	1.3
361.11755	1.6
362.18304	1.1
363.18390	0.8
367.06409	1.9
375.82526	0.5
377.11356	4.3
379.12906	3.5
385.07416	45.0
387.09784	1.0
391.13132	1.9
405.10825	10.7
409.13986	1.6
411.12454	2.5
419.12344	3.5
423.12012	53.6
436.21841	3.0
437.13492	42.6
437.22461	1.6
454.23096	3.0
455.14124	7.6
455.23077	4.5
585.16907	1.6
599.18256	1.9
617.16827	100.0
618.17145	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	617.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45000	0.6
55.01858	0.9
55.26281	0.5
57.03422	1.0
61.02908	0.5
69.03425	3.2
70.06579	1.0
70.84494	1.3
70.84819	0.6
72.08154	0.6
79.05476	2.1
81.03416	2.5
84.53146	0.5
85.02896	5.0
87.04438	0.8
91.05480	4.2
93.07049	0.9
95.04975	1.1
97.02891	2.2
97.81994	0.5
98.97561	0.7
103.05513	1.3
104.04986	1.1
105.07041	3.1
106.12260	0.5
107.01302	1.6
107.04955	1.5
109.02859	1.3
113.28416	0.5
115.05472	1.9
117.06962	2.8
119.08593	0.9
120.04482	1.0
121.06492	1.0
123.04550	0.6
125.02426	0.6
127.03889	1.3
128.06198	2.3
129.04517	3.9
129.07011	7.3
130.02898	3.4
130.03757	0.6
131.04904	1.4
131.08554	4.8
133.06450	1.3
135.04416	0.6
139.03918	2.7
141.06985	3.1
143.04936	0.9
145.06471	1.8
147.05530	73.0
147.08025	2.2
148.05858	0.5
149.06003	0.8
152.05667	4.8
153.06036	1.0
157.06464	5.8
159.04413	1.1
159.05540	3.5
159.08044	5.5
161.05997	1.8
163.03885	0.6
165.05417	0.9
168.05702	0.9
169.06503	1.8
170.73389	0.5
171.04401	0.7
173.06033	1.2
175.07564	2.9
177.06589	1.5
183.47658	0.5
185.05969	6.5
187.05049	3.4
187.07524	6.3
189.05405	1.1
189.09103	1.1
203.07056	3.8
205.08678	1.0
213.05475	3.5
215.07030	3.5
217.08554	3.3
227.07112	0.8
228.06488	0.8
228.56732	0.9
231.06490	3.1
237.02795	1.1
239.08243	0.8
241.04852	0.6
245.08139	3.4
259.06097	1.5
263.08344	0.6
291.08557	1.7
303.11200	1.5
309.08926	0.7
313.09528	0.6
327.09317	0.9
331.10767	2.1
332.40317	0.6
333.12207	1.3
341.61111	0.9
359.10355	2.1
361.12143	1.3
373.42657	0.5
377.11578	2.4
387.09912	2.0
391.12869	4.5
405.10770	8.0
409.13663	0.7
419.12320	6.9
423.12024	3.6
437.13446	100.0
438.13708	3.5
455.14532	10.9
455.23480	1.2
599.18732	1.4
617.19763	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	617.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01858	0.8
57.03432	0.7
61.02925	1.7
63.86072	0.3
65.03912	0.4
67.05481	0.3
69.03430	5.1
69.07051	0.4
69.45693	2.3
70.06583	2.1
71.01338	0.8
71.04985	0.4
71.68682	0.3
72.08135	0.9
73.02901	0.8
74.35916	0.3
76.84580	0.3
79.05493	2.5
81.03419	3.9
83.01333	0.3
83.04989	0.3
84.08130	1.2
85.02905	8.3
86.09681	0.7
87.04478	0.7
91.03928	0.6
91.05479	4.6
91.10026	0.3
92.05000	0.6
93.07029	0.7
95.04960	1.4
97.02310	0.4
97.02891	4.8
99.04444	0.7
103.05485	1.4
104.04977	0.5
105.03389	3.2
105.07002	1.7
107.04967	2.6
109.02876	1.0
111.04458	0.4
115.05449	1.1
116.06254	0.4
117.07011	1.4
119.04933	1.5
119.08598	1.4
120.04465	4.4
121.02814	0.5
121.06528	0.5
123.04444	0.4
125.02314	0.6
127.03939	2.0
128.06247	0.8
129.04489	16.0
129.07001	4.3
129.10252	0.7
130.02895	4.3
130.03920	0.5
131.04918	1.2
131.08559	3.6
132.04460	1.3
133.06505	1.7
135.04414	0.9
135.08096	0.4
137.05899	0.4
139.03839	0.7
141.06960	1.3
143.04980	0.4
145.02824	0.4
145.04968	0.7
145.06479	1.6
147.05527	57.2
148.05878	0.4
149.02341	0.4
149.06017	0.8
151.03857	0.9
155.04875	0.3
157.06490	2.0
159.04382	2.7
159.05534	27.8
159.07927	2.4
161.02374	2.4
161.05946	1.0
163.03900	1.2
165.05464	0.5
169.06476	0.7
173.06013	0.6
175.03960	0.8
175.07559	2.9
177.06606	21.4
179.03461	0.4
185.05919	2.3
187.05032	24.8
187.07423	1.6
191.06990	0.6
197.05722	0.3
203.07042	4.1
205.08546	0.4
213.05418	1.6
215.07031	1.1
219.06552	0.7
229.06097	1.1
231.06400	2.6
233.08028	0.5
239.08044	0.5
241.06026	0.5
247.08798	0.4
252.09323	0.3
255.07649	0.7
257.09125	0.4
259.06100	0.8
263.08807	1.2
265.09702	9.5
267.07697	0.8
277.07263	0.5
283.07303	0.4
289.06216	0.3
289.09650	0.4
291.07986	0.7
303.10999	0.5
305.09418	0.5
305.12894	0.4
307.07117	0.6
309.08829	2.1
315.11316	0.4
317.09238	0.7
321.12338	1.0
327.06241	0.3
331.10837	1.1
333.12369	1.1
349.11838	4.4
351.13412	0.9
359.10278	1.2
361.11896	1.8
377.11313	4.6
379.12912	6.9
387.09787	0.8
391.12775	0.4
395.12506	0.7
405.10809	11.7
409.13919	2.2
411.15677	0.3
419.12198	0.6
423.11856	100.0
424.12177	1.6
437.13428	16.5
455.14481	13.1
495.37918	0.3
517.04108	0.3
549.15448	0.3
567.16071	1.0
585.17273	3.7
599.18665	2.2
617.19354	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	617.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
56.95159	0.2
57.03434	0.3
61.02922	1.2
69.03419	1.9
69.91291	0.4
69.91712	0.7
71.04953	0.2
73.02940	0.2
81.03405	0.7
85.02903	5.2
91.03938	0.5
95.04907	0.2
97.02893	1.6
99.04429	0.3
104.04990	2.7
109.02875	0.5
109.19405	0.2
115.01433	0.2
115.50153	0.2
127.03914	0.8
129.04495	0.8
130.02872	0.4
143.18713	0.2
145.04974	1.1
147.05528	100.0
148.05872	0.7
157.45421	0.2
160.15469	0.2
173.78662	0.2
237.02936	0.3
277.36365	0.3
309.10806	8.1
420.83148	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	617.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62919	0.4
53.03942	1.4
55.01875	0.7
55.05513	8.4
56.05042	4.8
57.05819	1.5
58.06591	0.9
60.04512	0.6
61.02927	0.9
63.85367	0.6
66.51319	0.5
67.05514	1.4
67.45548	0.5
69.03430	2.2
69.07058	0.9
70.06592	6.2
71.49445	0.9
72.08157	100.0
73.02941	0.7
74.06081	12.2
79.05492	1.4
81.03399	1.0
81.07063	0.9
83.04984	0.6
83.59093	0.5
84.04506	4.9
84.08143	4.8
85.02906	3.3
86.06068	5.6
86.09709	8.7
88.04008	0.7
91.05503	1.6
93.07056	0.6
94.06590	0.8
95.04990	1.2
96.08147	0.6
97.02895	1.5
97.06547	1.2
98.09686	0.7
100.07621	1.2
101.07155	1.4
101.94305	0.5
102.05532	1.0
105.07021	0.5
107.04977	2.1
107.08619	0.5
109.06564	0.8
110.07187	1.1
111.04433	0.6
111.05602	0.6
111.09206	0.7
112.07595	2.6
112.11275	1.4
113.07137	0.7
114.05531	7.3
115.08708	1.2
119.04979	0.5
120.08092	2.6
121.06575	0.6
123.04414	0.9
124.07609	1.1
127.03939	0.7
128.10759	0.8
129.10231	2.6
130.05003	1.6
130.08643	8.1
131.04999	0.8
132.10254	2.5
132.64415	0.5
133.10133	0.5
135.04402	1.1
136.07591	0.9
137.05965	2.4
138.09096	1.1
139.03938	0.7
139.08723	1.0
143.11806	7.2
145.06265	0.9
146.99680	0.6
148.07536	2.4
149.05946	0.7
151.03932	1.1
157.09756	5.2
158.11760	0.5
159.07747	0.9
165.05487	11.6
167.07060	2.6
167.08287	0.8
171.11296	1.2
173.12933	1.3
175.10809	3.5
183.11258	3.3
185.09210	25.2
187.14548	0.9
201.12352	5.0
203.10268	8.7
203.12062	0.6
215.13937	1.2
227.11884	0.6
229.13435	0.6
233.14943	3.8
237.02785	0.7
243.15176	0.7
254.14970	3.3
255.11185	1.0
256.16556	13.3
257.12860	11.3
259.09738	0.5
271.10150	0.7
271.14349	1.0
272.16083	5.5
273.16147	1.9
284.16058	25.9
298.17603	5.4
316.18619	3.1
334.19760	5.9
340.99701	0.6
349.09140	0.7
353.18793	0.7
367.19800	11.1
385.20892	11.2
393.17920	0.7
397.24387	1.2
415.25958	0.7
423.19104	2.0
424.22015	0.7
433.26837	0.8
437.13916	0.5
437.20898	0.7
450.23392	2.8
455.22205	1.7
468.24216	8.8
525.23035	3.9
563.32117	0.5
581.33044	5.4
599.33936	0.6
617.21844	7.9
618.02515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01873	21.5
55.05513	13.6
57.03430	2.7
57.07056	2.6
65.03934	2.4
67.05505	28.9
69.03425	3.8
69.07070	26.1
69.22142	7.7
69.22546	1.9
71.04987	3.8
77.03947	1.0
79.05492	26.1
81.03416	11.6
81.07056	22.2
83.04980	20.0
83.08615	4.8
85.02901	2.9
85.06538	2.6
91.05485	23.6
93.07044	30.0
95.04971	13.3
95.08606	23.0
95.61763	0.9
97.06534	20.5
97.10166	3.6
99.04463	8.8
99.08048	1.0
103.05450	1.2
105.07031	24.2
107.04955	48.1
107.08591	20.8
109.06490	6.8
109.10152	10.9
111.04438	34.2
111.08085	2.0
115.05437	2.2
117.06999	9.9
119.08580	22.6
121.06497	9.9
121.10146	14.8
123.04401	1.5
123.08089	9.0
123.11661	1.6
125.05979	2.2
125.09636	5.7
128.06242	3.2
129.06989	5.8
130.07889	1.3
131.08569	12.1
133.06474	3.6
133.10143	12.4
135.08063	11.5
135.11670	4.7
137.06006	1.6
137.09608	8.5
139.07526	1.1
139.11162	4.4
141.06969	2.1
142.07790	2.2
143.08571	8.6
145.10126	12.5
147.08061	6.8
147.11696	6.1
149.01147	1.3
149.09612	24.4
149.13277	2.4
151.07550	6.5
151.11162	2.4
153.09087	8.0
155.08569	2.8
155.10732	1.0
156.09340	2.1
157.10146	10.5
159.08064	3.2
159.11707	9.7
161.09625	9.5
161.13272	2.4
163.11179	10.1
165.07033	1.2
165.09135	8.2
165.12727	1.5
167.08620	2.1
167.10617	4.4
167.14355	1.7
169.10089	4.5
170.10855	1.4
171.11667	5.8
173.09641	2.6
173.11693	2.7
173.13187	2.0
175.11162	8.4
175.14769	1.6
177.09102	1.2
177.12738	2.9
179.10686	3.3
181.10100	1.5
181.12222	3.7
182.10895	1.3
183.10286	1.2
183.11761	2.9
185.13277	3.0
187.11220	2.3
187.14760	1.9
189.11235	1.4
189.12755	4.2
189.83278	0.9
191.14268	1.6
193.10342	1.3
193.12106	4.6
195.11809	1.8
195.13794	5.2
197.09753	1.2
197.13264	2.1
199.11159	2.5
199.14824	2.3
201.12759	2.2
203.10672	1.2
203.12617	1.5
203.14339	3.3
207.11714	1.0
207.13858	2.2
209.13329	2.1
213.12555	1.0
213.16434	1.2
217.12276	1.8
219.13812	1.2
221.11702	2.6
221.15353	12.8
223.14981	1.9
225.12599	1.0
225.16512	1.8
227.18048	1.4
233.15370	1.3
235.13200	1.4
237.16481	1.2
245.18996	2.9
249.14651	1.2
255.17381	4.5
263.20135	4.2
269.19717	1.0
273.15604	1.4
273.18488	22.9
286.19498	1.4
289.17978	1.4
291.19540	100.0
301.18692	0.9
309.20703	4.8
359.17227	2.4
359.67303	1.9
397.27545	1.6
401.27286	1.6
451.61035	1.0
485.31854	1.3
563.36713	2.3
581.38440	2.9
599.39825	7.6
617.42737	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	617.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01868	3.5
55.04465	2.4
55.05508	16.3
57.03442	3.1
57.07074	10.7
59.05009	4.5
62.03432	2.8
65.03952	3.5
67.05508	27.7
69.03428	18.7
69.07070	18.3
70.22230	9.2
71.04987	3.8
79.05502	26.2
79.97106	2.5
81.07057	42.5
83.04976	15.0
83.08645	10.7
85.06520	2.9
91.05489	41.8
93.07046	55.2
93.07577	4.1
95.04959	20.4
95.08605	33.6
97.06558	8.7
97.10184	3.0
99.04488	3.1
99.08044	2.8
103.05517	4.2
105.04559	3.0
105.07029	55.1
105.07688	3.1
107.04979	4.3
107.08585	37.7
109.06512	17.5
109.10162	15.6
111.08125	4.5
115.05491	5.6
117.07053	11.3
119.08579	44.9
121.06535	15.9
121.10143	57.7
121.10941	4.1
123.08072	35.2
123.11760	6.8
123.62408	2.5
125.06017	8.4
125.09632	13.1
128.06261	10.0
129.07057	9.6
130.07811	6.1
131.08586	26.5
133.06491	6.2
133.10132	33.2
135.08061	17.1
135.11696	5.6
137.09639	12.9
139.11232	7.6
141.06993	3.6
142.07770	14.9
143.08557	21.3
144.09377	5.7
145.10130	35.3
146.07204	4.1
147.08047	18.6
147.11734	8.1
149.09636	20.8
151.07533	44.0
153.09181	2.8
155.08585	10.1
156.09418	9.3
157.10133	31.9
159.08055	6.4
159.11694	20.7
161.09697	11.2
161.13336	8.8
163.07527	3.0
163.11279	11.7
165.09123	31.3
167.08601	5.2
167.10686	61.6
169.10149	18.7
170.10948	2.7
171.11652	19.5
173.09677	7.1
173.13298	10.5
175.11160	6.9
177.09135	3.3
179.08705	4.2
179.10709	4.3
181.10188	11.2
181.12152	13.0
183.11761	12.8
185.09709	5.5
185.13348	12.1
187.11282	6.4
187.14886	6.4
189.12759	16.1
191.14388	5.5
193.10260	5.6
194.10899	4.5
195.11746	9.6
196.12485	4.9
197.13298	13.2
199.11206	5.9
199.14795	5.3
201.12849	7.8
203.14336	16.8
207.11827	6.9
207.13914	22.0
209.13297	8.0
209.15511	9.9
211.11217	4.5
211.14943	6.6
213.16353	3.3
215.14444	6.4
219.11734	3.0
221.13322	7.4
221.15352	86.4
223.14868	5.8
225.12852	2.8
227.14426	6.0
229.16042	3.2
233.13289	5.6
233.15434	11.5
234.16321	3.5
239.14459	4.2
257.19238	3.0
271.17120	5.6
275.20264	3.5
281.19119	3.8
286.19418	8.2
287.20026	6.9
299.20258	4.5
313.21823	4.5
325.59216	2.9
351.14175	2.6
374.69885	3.4
563.38354	4.3
581.40173	14.9
599.40924	30.6
617.42279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67438	4.3
54.08416	2.9
55.01871	7.1
55.05509	17.1
57.07065	3.9
67.05493	30.6
69.07059	35.6
71.00408	3.6
71.00730	7.4
79.05491	26.5
81.03436	10.7
81.07056	27.0
83.04985	7.1
83.08616	4.7
87.04498	16.8
91.05486	25.7
93.07042	40.8
95.04975	11.6
95.08604	19.3
97.06522	10.4
97.10195	5.6
105.07043	25.5
107.04961	55.1
107.08587	16.0
109.06544	3.6
109.10167	10.2
111.04456	4.1
117.07016	8.9
119.08588	26.5
121.06464	6.2
121.10143	15.9
129.07013	3.9
131.08572	15.4
133.10130	19.6
135.08054	19.1
135.11624	5.9
137.09569	8.3
139.11142	7.5
143.08505	3.7
145.10161	11.6
147.08043	7.2
147.11700	12.3
149.09599	18.0
153.09099	4.0
157.10132	6.0
159.11737	4.5
161.09645	4.1
165.09074	4.6
173.11801	3.7
175.11247	5.8
183.11832	3.7
185.13222	5.0
195.13722	4.6
202.02736	3.7
203.12822	11.5
229.14380	5.1
239.70068	3.8
273.18347	20.3
275.20059	100.0
276.20535	5.9
291.19543	76.0
293.21121	16.6
339.28857	7.9
388.88193	3.9
399.33551	3.8
583.39966	4.4
619.42017	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	619.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05977	2.9
56.96577	3.0
66.95353	2.7
69.03410	3.1
70.67152	3.5
70.67493	6.7
73.42005	3.2
85.02888	10.3
98.97544	3.8
116.98588	3.5
118.06550	5.9
127.03836	3.2
130.06505	5.6
132.08087	5.5
144.08075	8.0
146.06007	32.4
156.08040	4.9
170.05992	5.9
177.00760	3.4
188.07072	100.0
205.09714	54.1
230.08183	28.3
237.02725	5.0
247.10788	12.7
332.11240	4.0
350.12332	10.4
367.14999	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	619.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
56.96559	0.9
57.03423	0.5
67.05507	1.6
69.07066	0.8
69.27110	1.3
69.27534	2.0
79.05495	1.3
81.03394	0.8
81.07054	2.8
83.04977	0.6
83.08636	0.5
84.96037	0.4
85.02908	1.0
91.05489	1.5
93.07063	1.6
95.04942	0.9
95.08604	1.0
98.97533	0.4
99.08086	0.4
105.07027	1.6
107.04987	0.4
107.08595	1.0
109.10167	0.7
112.84873	0.3
119.08598	1.1
121.10159	0.4
131.08574	0.6
134.99664	0.4
143.12190	0.3
157.10132	0.4
161.01247	0.5
251.12589	1.0
307.15305	1.5
335.21893	6.5
337.20413	0.5
391.24524	3.3
520.62134	0.4
619.38104	100.0
620.38397	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	619.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
55.31832	0.9
62.05354	0.9
67.05499	1.9
69.07061	2.8
69.12389	0.9
74.12136	0.8
75.96887	0.9
81.07048	3.0
83.08607	1.3
93.07048	1.7
95.08607	3.2
105.07021	1.7
119.08579	1.3
121.10162	1.5
141.46771	0.8
161.72527	0.9
198.34576	0.9
243.65315	0.9
283.15182	13.9
285.70633	1.2
339.17734	6.2
464.00861	1.0
601.43262	1.1
619.41766	100.0
620.41821	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	619.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.5
55.01869	22.7
55.05513	20.1
56.66320	2.0
56.96566	16.9
57.03432	5.1
57.07065	5.5
60.88213	1.8
64.83326	1.9
65.03933	2.3
67.05505	49.3
69.03429	5.6
69.07072	27.5
71.04984	8.9
71.08633	30.0
71.49705	3.0
73.74023	2.2
79.05499	31.7
81.03422	21.1
81.07059	38.1
83.04981	26.0
83.08611	9.4
84.96034	10.1
85.02892	7.8
85.06544	6.7
91.05486	29.7
93.07047	43.1
95.04966	26.2
95.08608	47.0
97.06527	23.1
97.10152	7.9
98.97570	5.8
99.04489	10.1
99.08093	27.0
105.07014	24.5
107.04962	38.0
107.08597	21.2
109.06511	9.1
109.10154	20.6
111.04441	42.5
111.08082	4.0
116.98608	5.9
117.07018	11.2
119.08588	23.1
121.06512	10.1
121.10149	19.0
123.08060	9.5
125.09624	6.7
128.06175	2.4
129.06989	6.0
131.08559	16.0
133.06483	4.1
133.10115	16.1
134.99657	3.5
135.08043	15.1
135.11722	5.7
137.09615	19.7
139.11185	9.0
143.00159	4.2
143.08583	8.0
145.10117	9.4
146.99727	2.5
147.08044	4.7
147.11693	5.9
149.09636	20.0
149.13249	6.2
151.07555	4.1
151.11176	53.2
153.09076	10.6
153.32738	2.2
155.08514	2.1
155.10683	13.2
157.10130	7.2
159.08049	2.6
159.11700	12.0
161.01239	12.5
161.09683	10.1
162.99158	3.8
163.11176	10.7
165.12717	5.7
167.10680	3.5
167.14351	6.1
169.10103	2.6
171.11638	3.7
173.01245	3.2
173.11691	5.1
173.13161	2.9
175.11240	8.8
175.14839	2.0
177.00768	3.8
177.12732	13.2
179.02281	4.0
179.10666	5.0
185.13239	2.2
187.11143	3.3
189.12737	3.8
191.14264	3.7
193.12114	2.7
195.11916	3.5
195.13806	25.4
198.95758	2.7
199.11115	2.0
201.00702	7.7
201.12741	2.5
203.12737	3.0
203.14461	3.8
205.15930	5.7
212.72159	2.2
216.96828	1.9
221.11774	2.2
227.18047	3.8
228.94730	2.4
231.17397	2.5
240.96881	3.1
245.18979	4.1
247.20529	3.7
255.17409	2.6
257.19138	2.6
263.20050	5.6
264.96820	4.4
273.18503	21.9
275.20071	23.7
282.97964	9.2
291.19543	100.0
293.21097	97.8
300.99023	7.0
309.20618	5.9
311.22253	4.2
319.19434	5.6
337.20511	11.6
374.23654	2.5
403.28125	3.6
433.87476	2.3
492.80646	2.6
565.38934	2.7
583.39673	9.8
589.05847	2.4
601.41284	15.2
619.15002	4.2
619.24384	61.3
619.38190	18.8
620.24249	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	620.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33608	2.9
53.03933	3.0
55.05499	5.0
56.05043	3.1
57.03434	4.1
67.05511	15.7
69.07050	5.9
70.30113	2.6
70.30440	12.2
71.08620	4.4
78.43123	2.7
79.05486	15.4
81.03434	6.5
81.07046	14.7
83.08620	3.7
85.02918	3.3
85.50896	2.5
87.04479	4.7
91.05456	7.7
93.07052	25.3
94.06582	14.4
95.04955	5.9
95.08598	21.5
96.08096	4.8
97.06517	9.1
97.10165	5.0
104.10745	6.1
105.07012	11.1
107.04927	2.8
109.06554	3.6
109.10143	5.7
110.09692	7.3
111.08070	12.1
119.08577	4.8
121.10089	4.1
122.09650	32.2
123.08059	24.5
128.10721	32.9
133.03423	5.5
138.88504	2.6
140.10701	100.0
141.09085	13.0
145.03467	3.4
151.04492	5.1
157.03514	3.4
158.11763	6.9
185.02962	3.1
201.06021	3.5
239.00537	3.6
248.99223	4.5
267.00235	3.8
275.19974	2.9
276.20685	2.9
291.19589	6.5
292.19894	3.2
293.21088	3.6
294.21426	7.2
300.28946	7.0
333.24750	14.9
348.14084	2.8
355.15262	3.0
359.38794	2.8
410.36313	15.1
422.36249	23.6
440.37302	66.4
455.92822	3.0
492.15558	3.1
543.24194	3.2
561.25128	4.4
579.26917	21.7
580.27515	3.9
597.28088	17.9
620.38348	6.0
621.27148	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	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10562	1.4
59.48850	1.4
67.05482	2.5
68.03036	1.7
69.07069	1.5
69.28033	15.7
79.05470	1.6
81.07068	2.2
83.01618	1.4
91.05442	1.7
93.07045	2.7
95.08626	2.7
105.07033	1.7
106.34183	1.4
109.06507	1.9
109.10181	2.6
109.49125	1.5
124.25751	1.5
161.21092	1.5
191.41306	1.4
195.10054	1.9
208.41721	1.6
237.10466	1.4
263.51154	1.6
365.10388	1.5
381.33008	1.5
388.17206	2.3
389.17688	4.1
390.18448	2.4
401.18152	3.0
402.18488	2.9
403.19424	9.1
404.20068	4.9
405.20752	2.8
417.16937	5.3
417.21054	6.5
419.22391	10.7
430.17542	2.3
431.17902	8.2
431.23590	2.2
432.19849	3.5
433.20215	2.0
444.19299	2.0
445.20056	9.3
446.21149	5.3
447.21869	13.3
458.21066	2.5
459.22217	4.1
473.19174	2.2
474.20453	13.0
475.21231	19.0
487.21420	5.4
501.22787	3.2
505.25879	2.7
531.36609	43.9
533.25598	13.6
547.22650	1.6
561.24976	94.9
589.24255	3.4
593.27332	4.7
621.27075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.03439	0.2
67.05485	0.3
69.52486	1.5
74.67715	0.2
79.05520	0.3
81.07050	0.6
81.47228	0.2
91.05469	0.3
93.07007	0.4
94.17731	0.2
95.05015	0.3
95.08606	0.3
105.07082	0.4
106.06560	0.3
119.08598	0.4
133.10165	0.3
135.07964	0.3
137.56265	0.2
209.10818	0.4
221.10767	0.3
275.20032	1.1
282.14053	0.2
293.21146	0.5
373.14658	0.6
374.15680	0.7
375.15912	1.1
376.17569	0.4
387.16318	0.8
388.16913	1.2
389.17612	3.1
390.18494	1.1
391.19275	0.9
401.18024	1.2
402.13971	0.5
402.18857	1.4
403.19449	5.1
404.20035	1.9
405.20828	3.0
413.17896	0.3
415.19446	0.7
416.16101	0.9
416.20166	1.0
417.16199	4.1
417.21213	2.1
418.17551	0.7
418.21893	0.7
419.22485	6.7
420.23184	0.9
429.17105	0.7
430.16974	1.1
430.22592	0.4
431.18121	7.1
431.23691	0.6
432.19247	2.5
433.20071	2.8
443.18671	0.4
444.19580	0.5
445.20148	6.2
446.21017	6.8
447.21744	9.9
457.20425	0.4
459.17276	0.9
459.21896	2.5
460.18378	0.6
460.23404	0.4
461.19324	1.6
463.21292	0.4
473.19455	1.0
473.24265	0.8
474.20355	6.3
475.21301	7.3
476.22235	0.3
477.22903	0.7
478.24081	0.4
487.21552	2.4
488.22540	0.5
489.22348	0.3
491.19940	1.5
492.25113	0.3
501.22861	1.8
505.25696	1.4
506.23364	0.3
518.23193	0.4
519.20306	0.5
529.22150	0.7
533.25531	14.2
546.22241	0.4
561.25024	20.7
562.25647	0.6
589.24139	1.2
593.27753	3.5
621.27075	100.0
622.26874	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.5
53.03940	7.3
54.24974	1.0
55.01875	6.5
55.05512	20.9
57.03435	9.7
57.07066	1.3
60.12163	1.0
65.03941	3.2
67.05504	38.2
69.03059	1.2
69.03414	16.0
69.07071	9.1
70.06611	1.2
70.07281	5.1
71.01337	1.4
71.04994	6.3
73.02906	1.6
75.40826	1.2
79.05489	37.3
81.03415	100.0
81.07056	36.5
83.04980	19.1
83.08621	22.8
85.02905	20.9
85.06538	2.7
89.03971	1.3
91.05477	46.3
91.06037	2.3
93.07035	21.7
93.07577	2.0
95.04963	38.6
95.08607	15.1
97.02893	13.8
97.06520	7.4
97.10160	11.1
99.04434	6.3
99.08099	1.8
103.05463	2.3
105.03405	1.3
105.06326	2.3
105.07025	34.4
105.07703	2.0
107.04948	14.3
107.08587	16.0
109.02875	21.9
109.06519	9.6
109.10142	6.0
111.04444	11.7
111.08079	10.4
113.06016	1.7
113.34129	1.0
115.05479	3.8
117.03377	1.1
117.07014	8.8
119.04932	3.0
119.08573	19.9
121.02884	2.8
121.06485	10.3
121.10138	13.4
123.04447	6.1
123.08096	3.8
123.11739	4.3
125.02380	4.2
125.05968	1.6
125.09618	6.1
127.03896	7.8
128.06212	2.7
129.05498	2.0
129.06993	16.7
131.04941	5.1
131.08565	16.2
133.06491	6.7
133.10124	14.0
135.04427	3.7
135.08093	4.4
135.11688	6.4
137.05983	2.2
137.09610	2.8
139.03911	1.5
141.06987	3.3
142.07813	2.7
143.08578	3.0
143.10655	1.2
145.02846	1.4
145.06479	5.9
145.10155	5.3
147.04379	6.1
147.08054	8.9
147.11687	19.0
149.05991	4.5
149.09618	7.3
149.13280	1.5
151.07570	4.6
153.09212	1.2
153.12793	2.9
155.08591	2.4
157.06529	4.1
157.10138	13.8
159.04407	1.7
159.08060	2.1
159.11636	2.5
161.02356	1.8
161.05986	3.3
161.09575	2.7
163.03899	12.9
163.11206	7.9
165.05472	1.3
165.07024	1.5
165.12758	5.9
167.08516	1.1
169.06465	1.9
171.08095	3.3
171.11644	2.1
173.02350	3.2
173.04503	3.2
173.05994	3.0
173.09662	2.1
175.07495	2.5
175.11171	15.2
176.12004	2.3
177.12743	2.7
181.06450	1.2
181.12268	2.9
185.06091	2.7
187.03954	3.6
187.07640	2.0
187.11256	1.4
189.05487	2.6
189.09227	1.6
189.11237	4.4
189.12682	1.9
191.10719	3.7
193.12231	41.1
193.13873	2.5
195.08066	1.4
197.06004	1.8
199.03973	3.1
199.07645	1.6
201.05595	1.9
201.08975	1.2
201.12798	1.4
206.49533	1.2
211.13269	45.6
213.05545	3.4
213.12819	1.7
217.04933	1.3
223.13254	2.0
225.05528	2.8
227.07140	1.7
227.12622	6.4
229.14374	1.6
231.06422	1.6
231.13939	1.6
233.15392	1.6
235.13322	2.9
241.12331	1.3
243.13887	1.2
249.14905	3.3
253.08977	1.1
255.13937	3.1
259.13431	1.7
267.09082	2.0
267.15958	12.9
269.12445	1.1
273.14838	10.4
277.14377	1.5
283.13205	3.2
283.15918	1.5
285.10196	4.7
285.14386	1.0
285.17117	9.3
289.14362	1.4
301.14227	14.6
301.17081	1.1
303.16129	1.3
305.07816	1.4
319.15607	7.1
337.13864	13.6
338.14868	1.1
355.15759	4.0
375.17883	6.5
385.23590	5.4
393.18973	5.6
403.25040	2.7
411.19836	3.5
429.19229	7.4
459.27176	8.3
477.28613	7.1
490.22205	1.2
495.29608	5.6
501.28516	1.6
529.27588	1.7
543.29352	1.6
557.31256	1.6
567.29907	1.7
585.30756	10.3
603.23132	1.8
603.31750	12.9
621.32745	66.9
622.33405	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	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22079	0.7
67.52686	0.8
69.20602	2.8
69.21026	4.6
78.38332	0.6
79.04457	0.8
89.05994	1.4
98.20830	1.6
116.19762	0.6
122.90141	0.6
133.08615	0.8
190.72148	0.6
195.08922	0.8
223.12384	0.7
228.36609	0.6
377.17487	1.3
389.18436	0.8
390.18726	1.2
391.19269	3.0
392.19998	2.6
400.16937	1.7
401.17789	1.5
405.20889	4.0
406.21262	3.5
407.22360	9.1
413.17548	1.1
414.18521	2.0
415.19321	3.2
417.21286	1.0
419.22614	1.9
420.23288	2.0
421.23871	7.3
422.24573	2.8
427.19302	1.5
428.20056	2.0
429.20932	9.4
430.22156	1.8
433.24667	1.3
442.21695	1.5
443.22659	4.9
444.23236	3.4
445.20132	2.2
447.17850	1.4
449.23199	1.2
455.19189	0.9
457.23914	2.8
458.24918	5.8
459.21823	6.2
460.22989	1.7
461.19946	4.3
462.20499	1.6
470.21124	1.7
471.22028	1.0
472.22818	5.7
473.24097	1.6
475.21378	4.9
476.21619	5.4
477.23007	2.1
485.03561	0.8
485.23557	12.1
486.20605	2.9
487.20056	0.8
488.22266	1.6
489.23013	2.5
499.21298	4.0
500.22186	1.7
502.23541	1.3
503.24500	6.5
504.25534	1.3
507.23901	1.1
513.23071	2.5
514.23596	1.5
515.25067	0.8
517.26337	5.8
529.26068	1.6
531.23810	1.1
535.27014	4.3
545.25476	74.3
546.25934	3.0
563.26117	1.2
564.27075	2.5
573.24908	16.9
574.24854	1.1
591.26367	1.2
605.27588	100.0
606.27905	6.3
623.28619	95.9
624.28961	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	623.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60725	1.2
53.03937	4.3
55.01858	5.0
55.05511	16.8
56.96544	1.7
57.03437	8.1
57.07066	1.4
61.02931	26.6
64.28237	1.1
65.03920	2.3
67.05504	34.4
69.03429	10.3
69.07069	13.1
69.92646	1.1
70.65540	1.2
70.79119	2.9
71.04990	3.5
73.02916	8.6
73.06535	1.4
79.05492	29.4
81.03416	8.7
81.07057	31.4
83.04974	3.6
83.08620	11.6
84.08559	1.4
85.02906	23.6
85.06551	2.4
91.03959	10.5
91.05480	46.5
93.07046	25.7
95.04969	9.0
95.08605	20.4
97.02890	15.4
97.06541	7.9
97.10163	4.0
99.04451	2.4
103.05459	3.3
105.07032	32.7
107.04964	7.5
107.08600	14.8
109.06508	4.5
109.10155	11.2
111.08126	2.6
115.03965	1.3
115.05443	4.6
115.59776	1.0
117.06251	2.3
117.07018	27.6
117.07867	1.6
119.04898	1.7
119.08586	18.2
121.06509	6.8
121.10141	10.2
123.04375	1.8
123.08070	4.8
125.05981	1.3
125.09614	2.9
127.03916	5.6
128.06190	6.4
129.07001	31.0
130.07758	1.8
131.04924	2.5
131.08559	37.4
133.06502	7.1
133.10129	14.7
135.04442	1.5
135.08038	5.2
135.11674	6.4
137.05939	1.9
137.09621	3.9
139.04005	1.5
139.11174	1.2
141.06990	13.9
142.07756	3.5
143.08560	27.8
145.04976	1.9
145.06462	6.5
145.10118	17.0
146.29507	1.3
147.08057	5.1
147.11699	5.3
149.09596	5.8
149.13248	2.2
151.11230	1.9
153.07043	2.0
154.07774	2.9
155.08565	23.0
157.06506	3.6
157.10136	14.8
159.08011	5.1
159.11699	8.5
161.09625	3.5
163.11229	3.3
165.07007	2.6
167.08574	9.0
169.10117	16.1
170.11009	1.4
171.08130	3.1
171.11641	9.9
173.09657	4.6
173.13240	3.9
175.03886	1.2
175.11209	4.6
177.12804	2.2
178.07727	1.5
179.08571	5.9
180.09383	1.9
181.10112	9.1
183.08028	2.5
183.11639	9.7
185.09669	2.8
185.13206	6.0
187.11176	2.6
187.14799	3.6
189.12775	2.0
191.08707	1.7
191.10670	1.5
193.10107	5.1
193.12138	1.6
195.02621	1.6
195.08189	2.1
195.11639	11.3
197.09587	1.7
197.13213	7.8
199.09305	1.3
199.11189	2.7
199.14848	3.5
201.12723	1.9
203.14319	2.8
205.12164	1.7
207.11710	3.4
209.13278	8.2
211.11101	2.3
211.14854	4.9
213.12784	4.3
215.14375	5.5
217.15887	1.8
219.11841	2.5
221.13254	8.1
221.15131	1.8
223.14795	6.3
225.12573	3.2
225.16304	2.4
227.14439	1.4
229.14240	1.9
233.13216	2.1
235.14819	3.8
237.12729	1.6
237.16473	2.4
239.14342	5.8
241.16107	1.4
249.16426	2.3
253.15892	4.8
257.15417	3.5
259.17004	1.8
267.09338	1.4
267.17419	2.6
269.14398	2.6
271.16656	2.7
283.16806	1.5
285.10065	2.0
285.18472	2.0
287.15381	2.5
305.22525	2.6
315.21027	3.1
323.20190	1.6
323.23691	4.8
331.15421	1.4
333.22095	13.0
335.18954	1.9
341.24625	7.4
349.16870	2.9
351.23151	40.1
366.22092	2.4
367.17780	4.1
367.21964	8.0
369.24210	33.0
385.22699	3.4
387.25287	17.4
407.25726	1.7
415.28528	1.6
425.27106	6.8
425.31927	1.8
443.27899	100.0
444.28235	2.9
461.28961	59.0
462.28937	1.3
569.31299	1.6
587.32440	2.0
605.32538	3.4
623.31696	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	624.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05506	0.8
57.03432	2.4
57.07059	1.1
58.99574	1.2
61.02917	1.5
62.68437	0.3
65.03943	0.5
67.05485	1.4
69.03429	33.4
69.07059	2.7
71.04973	0.7
71.07416	0.7
73.02914	9.9
73.65095	0.3
76.02225	3.3
79.05476	1.7
81.03414	0.8
81.07053	3.5
83.04970	2.8
83.08608	0.7
84.08125	0.5
85.02905	9.5
85.06563	2.1
86.99064	0.5
87.04440	0.8
88.02720	0.4
91.05482	1.2
93.07036	3.4
95.04914	0.5
95.08595	5.7
97.02887	5.3
97.06543	2.2
98.97587	0.5
99.04439	0.5
100.02187	1.4
105.00089	1.1
105.07010	3.1
107.07889	0.7
107.08588	8.5
109.02873	0.9
109.06511	3.5
109.10138	1.2
111.08106	2.0
112.89167	0.4
115.03930	2.2
117.06973	0.4
119.08575	2.5
121.06491	1.6
121.10141	9.7
122.02725	21.0
123.08060	2.0
123.11698	6.3
125.09625	14.1
127.03901	2.4
131.08578	3.6
133.04904	1.8
133.10117	3.3
135.08060	8.2
135.11707	3.8
137.09610	0.7
143.08682	0.4
145.04944	1.5
145.10127	2.2
146.02684	1.3
147.07956	0.4
147.11674	2.2
149.09631	6.6
149.13269	3.2
150.10400	0.5
151.11140	0.8
153.09102	5.8
158.10892	1.6
161.13208	0.8
163.05952	0.8
163.11218	2.0
163.14813	3.9
164.03757	0.9
165.12733	2.8
167.05231	0.9
167.10649	2.8
169.88899	0.4
172.04263	0.5
172.35126	0.4
173.13263	15.3
173.14742	0.8
176.11887	0.5
191.14302	56.8
192.14645	1.0
193.04863	0.5
197.09874	0.7
200.03769	1.4
209.15363	100.0
210.15717	0.8
218.04794	2.2
223.11557	3.1
230.08176	0.4
236.05820	1.0
241.12555	7.4
248.05760	1.0
254.06889	2.0
278.50183	0.4
284.08002	0.6
312.16241	0.4
318.26993	0.4
330.17310	23.4
371.20593	1.2
383.88657	0.5
384.27097	0.4
462.15732	0.5
462.21667	0.5
474.21872	0.9
492.15512	0.5
492.22717	8.1
624.26404	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	624.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01866	1.2
55.05510	3.8
56.05035	2.7
57.03426	1.0
59.71009	0.7
60.04517	1.8
65.03906	0.8
67.05508	14.9
67.05856	1.5
68.05006	0.7
69.03436	5.2
69.07072	2.6
70.06606	4.4
70.59246	2.0
71.04987	4.0
72.08144	1.2
79.05497	12.7
79.71725	0.7
80.05024	2.2
81.03418	3.0
81.05804	2.4
81.06601	1.3
81.07059	17.6
82.06590	4.0
83.08618	1.8
83.90042	0.7
84.08121	0.7
85.02902	2.3
85.06548	2.8
87.04483	2.7
91.05495	5.1
93.07049	23.2
94.06565	15.3
95.04973	2.9
95.08611	27.5
96.08125	2.4
97.02917	1.1
97.06539	5.9
97.10193	0.7
103.05477	1.0
105.07034	11.1
107.07335	3.1
107.08575	1.8
108.08137	1.1
109.10178	5.3
110.09688	8.7
111.08087	15.8
120.08096	1.9
120.31086	0.7
121.10167	2.7
122.08779	1.7
122.09672	31.3
123.08072	30.8
123.08981	1.5
123.11707	2.9
128.10724	31.0
130.12273	1.1
135.11681	2.6
140.10709	100.0
141.09106	17.1
141.11014	1.4
142.12228	1.5
149.13274	1.3
158.11790	8.4
161.13251	0.8
178.03642	0.7
197.06514	0.7
205.19609	2.8
223.20506	1.3
233.18953	0.8
250.21648	1.2
253.79323	0.7
263.13852	1.2
268.22711	6.3
284.22232	1.0
286.23621	3.9
312.25336	1.7
360.29083	1.5
378.29932	6.6
390.30042	8.5
396.31052	1.9
408.31097	76.7
409.31293	2.1
426.32153	66.0
427.32272	2.2
444.33237	8.5
518.99188	0.7
565.55884	0.8
594.72485	0.8
620.42017	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	626.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.0
57.07067	4.8
59.42556	1.7
67.05507	3.5
69.03428	34.4
69.07072	3.6
69.33779	10.6
69.34189	5.3
71.08626	4.1
79.05487	1.8
81.03402	5.1
81.07050	4.1
83.08588	2.0
85.02901	3.1
85.10177	2.6
91.05459	1.7
93.07035	2.3
95.08606	8.3
97.02895	2.6
97.06554	2.2
105.07023	1.7
107.08601	8.8
109.02915	2.2
109.06452	2.2
109.10155	4.1
111.08084	2.3
119.08585	2.8
119.19038	1.6
121.10149	8.3
123.08027	2.9
123.11686	4.5
125.09645	17.8
127.03913	5.3
131.08536	3.9
133.10130	3.8
135.08054	8.3
135.11707	4.8
143.09485	1.7
145.05017	2.5
145.10123	2.4
147.11647	2.7
147.33562	1.8
149.09587	4.6
149.13246	2.9
153.09082	5.9
163.14824	4.0
165.12744	2.4
173.13280	12.4
173.36688	1.6
176.05350	1.7
191.14299	74.2
209.15363	100.0
210.15755	1.9
231.31709	1.7
239.23656	4.8
260.30399	1.7
383.27747	6.4
401.28903	3.6
484.55157	1.8
579.60468	1.9
606.27295	1.8
626.40814	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	627.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66626	0.4
53.03946	0.5
55.05508	0.9
56.96562	0.9
57.03431	0.6
65.03926	0.6
65.28044	0.5
66.61137	0.4
67.05499	1.8
69.03410	1.4
69.07054	1.5
69.10953	0.5
70.06582	0.7
71.49799	0.9
79.05489	1.9
81.03417	1.8
81.07059	2.4
83.04971	0.9
83.08625	0.6
85.02899	1.7
86.09710	0.8
91.05487	1.6
93.07029	2.0
95.04964	1.7
95.08605	1.7
97.02898	0.9
97.06516	3.7
97.10176	0.9
98.97530	0.8
99.04433	0.6
105.07037	1.6
107.04942	1.2
107.08584	1.6
109.06517	0.7
109.10155	1.1
111.04482	0.6
115.05391	0.4
119.08565	1.1
120.08144	0.5
121.10133	1.3
123.08060	0.9
123.11649	0.5
125.06017	1.0
125.09647	1.0
131.04958	0.8
131.08548	1.0
133.10141	1.1
135.04471	0.7
135.11688	1.1
137.05994	1.0
139.03918	0.8
145.06436	0.6
145.10156	0.9
146.99677	0.6
149.06041	0.8
153.05464	1.8
157.10135	1.0
159.11665	0.6
163.03918	1.4
165.05481	1.1
167.07037	4.2
173.06064	0.6
177.05437	0.9
181.05026	1.3
191.07057	0.9
193.12315	0.7
212.09711	0.5
215.07028	0.9
225.05476	0.4
249.02765	0.5
259.09659	1.6
271.08676	0.5
271.54752	0.5
286.17416	0.5
417.15601	0.8
429.29868	1.1
447.31003	0.9
553.11871	0.7
596.00928	0.7
627.20441	100.0
628.20819	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	627.281
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
67.05502	3.0
69.07036	1.7
69.34830	3.3
69.35249	7.4
79.05498	1.9
80.81990	1.3
81.07065	2.2
86.82919	1.4
91.05500	2.2
93.07095	1.5
95.08591	1.6
95.73032	1.3
105.07031	1.9
119.08614	1.7
131.07372	1.6
174.09175	2.8
184.09845	1.6
187.12323	4.5
188.10692	1.9
209.10844	1.5
211.08684	2.5
215.11827	3.8
225.10233	2.5
227.11829	4.3
237.10393	2.0
239.11826	3.4
241.13403	2.9
243.11292	25.7
249.10181	1.5
251.11839	2.2
253.09822	2.8
259.91080	1.3
263.08331	1.6
263.11877	1.3
267.11270	8.2
269.12695	2.1
277.09601	3.2
285.12479	2.2
295.10818	2.5
301.15515	2.1
309.12280	1.6
314.13077	1.8
316.10898	2.3
325.15619	9.6
327.13547	8.9
328.10947	2.9
328.14581	1.5
330.12357	3.0
338.29736	1.4
342.12427	3.7
343.13361	3.3
344.13995	4.0
346.15646	2.3
348.13531	5.0
356.14023	3.5
358.15768	2.8
370.15506	4.3
372.17157	3.3
374.14877	1.5
384.17389	3.1
400.16528	2.8
416.15591	1.4
430.17169	1.5
432.19287	4.0
435.13913	2.7
435.19073	1.7
436.15067	1.7
437.19879	2.7
441.18988	1.4
447.21957	3.3
449.15793	2.2
450.16370	1.8
451.17361	1.9
460.18839	1.7
461.23691	2.3
462.24185	2.1
463.21957	2.3
465.19028	15.5
478.20178	2.3
479.20920	5.5
480.21683	5.1
481.22568	4.1
489.22873	2.9
491.20520	1.9
492.21704	3.6
493.22385	3.8
495.16763	5.3
504.21255	2.7
507.24060	4.0
517.22595	1.9
535.23468	8.1
549.24963	11.9
553.24377	3.8
567.18530	6.9
567.26074	70.3
577.24768	2.4
585.19440	1.8
595.25531	55.9
627.28198	100.0
628.20715	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11975	7.7
57.07069	17.5
62.31702	8.0
67.05510	9.0
69.03407	8.0
69.22160	79.5
72.12179	6.8
73.75073	7.3
76.32474	6.9
79.05500	8.7
81.03416	13.4
81.07095	12.6
91.05503	10.7
95.04970	21.2
97.02903	12.6
107.04955	100.0
109.02872	39.9
129.56528	7.0
129.72600	7.0
139.03857	13.0
149.05981	12.7
151.03922	23.9
165.05489	55.7
167.07048	23.8
177.05452	37.2
192.07268	8.3
195.06531	23.9
209.08139	27.5
227.09163	16.2
239.23601	10.8
244.76123	8.1
290.37918	7.5
494.04395	7.4
534.81934	7.4
603.31378	8.0
627.42181	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	627.393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71794	0.3
56.96566	14.7
67.05498	0.8
69.07048	0.5
69.67986	2.0
71.95268	1.9
72.96037	0.7
74.97591	1.1
79.05502	0.5
81.07054	0.6
84.96011	1.3
91.05442	0.5
92.98621	0.5
93.07027	0.7
97.96838	0.7
98.20872	0.7
107.08587	0.4
109.10139	0.5
110.97610	1.4
111.08114	0.3
115.97806	0.7
116.98586	0.6
117.62879	0.3
119.08564	0.5
121.10110	0.4
123.01197	0.5
128.98613	5.0
131.00085	0.5
132.82666	0.3
133.98846	0.6
134.99638	0.7
137.02768	0.6
141.02261	0.4
146.99644	9.4
151.04396	0.4
155.03729	0.9
161.01205	1.9
161.04842	0.7
165.00755	2.3
169.05266	0.5
170.01250	0.9
171.03270	0.4
175.02684	0.4
179.02238	1.0
179.05954	0.4
183.06966	0.5
185.04849	0.5
187.02773	0.7
189.04337	1.4
193.03885	0.5
194.04587	0.4
195.06966	0.5
195.70041	0.3
199.06396	0.5
201.04419	0.4
203.05917	1.2
204.03148	0.5
217.07402	0.5
223.08270	0.6
223.10197	0.5
225.07965	0.4
227.09477	0.7
235.10129	0.4
239.09622	0.6
241.11078	1.3
243.08904	0.6
244.74133	0.3
245.10550	0.8
245.97237	0.4
249.07927	0.4
252.10349	0.4
259.12112	1.7
263.09558	2.5
265.11029	0.7
273.13748	0.4
277.11081	1.2
281.10660	1.2
282.11316	0.4
283.12158	0.4
286.11176	0.4
289.11026	0.5
295.12045	0.4
303.12711	1.7
313.14883	0.6
315.16266	33.7
316.16757	0.4
321.13675	0.6
331.15778	3.0
333.17340	100.0
334.17685	1.2
347.19049	0.4
349.16751	0.5
351.18365	29.9
356.18933	13.7
369.19675	1.4
374.20004	5.7
385.90436	0.3
397.21274	0.4
535.41742	0.4
623.86340	0.3
628.35834	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	627.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50150	0.4
54.88311	0.5
55.01868	0.7
55.05510	1.8
57.03425	0.9
57.07064	0.9
65.24541	0.5
67.05508	4.3
67.92510	0.5
69.07059	2.3
71.00287	1.2
75.85152	0.5
79.05492	3.7
81.03420	1.1
81.07059	4.9
83.08617	1.1
91.05488	3.3
93.07043	3.7
95.04951	1.1
95.08615	3.2
97.06522	1.0
97.10155	0.9
105.07043	3.6
107.05006	0.6
107.08615	2.3
109.06569	0.8
109.10176	2.3
111.08035	0.5
117.07024	0.7
119.08600	2.3
119.09569	0.5
121.10162	1.9
123.11680	0.7
129.06973	0.6
129.84497	0.5
131.08585	1.0
133.10132	1.6
135.08014	0.5
135.11707	1.0
143.08615	1.0
145.10139	1.1
146.16425	0.7
147.11728	0.9
149.09673	1.0
149.13280	0.9
157.10074	0.5
159.11617	0.8
161.13283	0.8
173.13297	0.8
181.10304	0.5
261.22131	0.6
275.17111	0.8
275.19946	3.4
315.19232	1.3
317.20990	0.8
333.20490	1.2
335.22104	1.0
335.25858	1.7
349.23969	1.4
487.30255	0.7
609.44934	2.1
627.42273	100.0
628.42780	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	629.2242
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.20337	0.6
51.35181	0.5
51.38988	0.5
55.05519	1.0
56.96556	0.9
67.05511	1.5
69.07089	1.2
69.87798	2.2
71.30114	0.5
79.05497	1.6
81.03439	0.7
81.07069	1.9
85.02915	1.0
85.12755	0.6
91.05505	1.4
93.07064	2.2
95.04991	0.8
95.08639	1.8
97.06561	0.6
105.07067	1.0
107.08598	1.4
109.06548	0.6
109.10183	1.0
114.19978	0.5
119.08598	1.7
121.10179	1.6
131.08582	0.6
133.10182	1.1
135.08002	0.6
135.11673	0.8
143.08583	0.9
145.10103	0.7
149.09682	0.8
161.02576	0.8
167.10788	0.7
195.59886	0.6
245.98860	0.6
293.21536	0.7
306.28430	0.7
324.79486	0.6
345.52408	0.7
396.12558	1.0
397.12970	2.0
398.13922	1.5
399.14722	1.1
400.15158	1.1
409.13211	0.9
410.13538	4.4
411.14594	8.8
412.15366	6.1
413.16138	5.5
423.14600	1.8
424.16248	3.0
425.10907	0.8
425.16211	16.9
426.16751	11.6
427.17776	4.1
428.18674	3.8
437.16501	1.1
438.12729	4.6
439.13602	22.2
440.13989	2.2
440.19339	6.8
441.19321	41.6
442.19867	3.0
451.14044	0.8
452.14487	3.4
453.15363	22.9
454.15811	7.3
455.21448	0.8
456.17883	1.3
457.15250	2.1
459.20453	0.9
463.13910	1.2
465.15762	0.6
467.17151	26.7
468.17908	21.6
469.18784	10.9
470.15314	0.6
471.16611	1.9
472.17355	1.9
480.17142	0.7
481.14725	10.9
482.15961	2.7
484.20959	2.7
485.18213	2.4
495.16855	2.7
496.17029	14.5
497.17621	2.6
498.18726	2.3
499.20374	1.2
500.20557	4.8
508.19998	1.0
509.18637	1.9
512.20233	2.8
513.22046	5.5
514.22455	1.0
523.19769	1.8
528.19989	1.0
531.22388	0.8
537.19159	1.1
540.16486	1.0
541.20831	48.0
542.21045	3.9
553.20740	1.0
554.17841	1.1
559.21893	0.7
568.19318	0.7
569.20288	100.0
570.20551	9.1
572.19012	1.0
573.23407	3.7
587.20410	0.9
597.19745	32.7
598.20093	3.0
600.21686	2.3
601.22937	15.1
602.23370	1.6
615.20618	1.3
629.22235	75.8
630.22473	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	630.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.0
57.07074	34.0
67.05504	3.4
69.07077	3.1
69.25153	9.3
71.08630	26.2
73.02916	1.1
73.06556	8.2
79.05495	2.4
81.07054	1.6
83.08613	3.1
85.06546	1.2
85.10179	22.6
87.04467	8.7
89.06030	100.0
91.05475	2.0
91.07638	1.1
93.07045	2.5
95.04990	1.4
95.08610	2.3
97.10175	3.9
99.11739	5.3
105.07027	3.3
107.07066	5.8
107.08602	1.8
109.10148	1.7
110.34673	0.8
113.13283	1.4
117.09132	7.2
119.08604	2.0
121.10200	1.7
123.08083	1.6
130.07733	1.0
130.08638	3.7
131.07074	2.2
131.08519	1.2
133.08603	51.8
151.09625	1.0
155.17998	4.7
157.10115	1.5
161.11746	1.9
167.10677	1.4
168.68584	0.9
175.09660	1.3
177.11226	23.2
181.12242	1.3
199.20555	4.9
221.13832	3.5
233.15280	0.9
240.23259	1.5
243.23163	8.8
283.17490	2.1
287.25739	4.7
301.14346	2.6
327.20166	1.3
459.27826	2.6
504.80338	1.0
601.41223	1.6
613.45868	5.8
630.47388	3.1
631.42194	1.5
634.25616	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	631.42
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.0
55.55466	1.4
57.07075	3.7
66.12923	1.7
67.05504	7.2
69.03426	6.4
69.07067	5.0
69.68242	1.6
70.84969	2.8
70.85305	3.7
79.05519	9.7
79.05908	2.0
81.03422	3.4
81.07056	12.9
83.04984	4.5
83.08630	4.0
91.05466	8.6
93.07036	8.5
95.04988	3.9
95.08616	7.2
97.06538	2.7
99.82449	1.5
105.07024	11.5
107.04971	3.6
107.08591	24.2
109.06509	5.1
109.10181	9.4
117.07030	3.8
119.08582	7.6
121.10155	18.4
122.07259	3.5
123.08050	3.0
125.09612	2.6
131.08566	6.1
133.10129	100.0
135.08084	10.4
135.11693	4.0
137.09619	63.2
143.08531	2.6
145.10106	3.8
147.08025	3.1
147.11713	3.9
149.09674	3.7
149.13274	10.7
151.07475	2.3
151.11145	9.9
157.10121	2.9
158.10910	2.2
161.09605	3.3
163.11176	2.1
163.14861	4.9
165.12781	1.9
171.11775	2.6
173.13240	7.7
189.12636	1.9
191.14325	50.1
209.15317	11.8
221.15417	4.0
233.15385	3.1
304.36087	1.6
388.61841	1.9
519.36761	2.9
631.44214	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	632.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.01868	12.0
55.05511	15.0
56.05024	3.1
57.03438	1.9
57.07073	1.5
57.98815	1.7
58.06602	1.2
58.99588	23.6
59.04990	1.2
62.08684	1.1
65.03934	2.2
65.09044	1.0
67.05509	27.5
68.05022	1.3
69.03428	4.4
69.07074	26.0
70.02972	2.1
70.06582	3.8
70.17726	3.3
71.04984	3.3
72.08147	1.4
73.02926	1.4
74.00659	4.5
76.02232	74.0
76.03999	4.4
79.05499	18.5
80.05017	3.0
81.03413	4.2
81.07060	20.2
82.06574	1.6
82.52994	1.1
83.04990	4.1
83.06094	8.4
83.08624	9.5
84.04514	24.3
84.08135	2.1
85.02908	4.2
85.03983	1.4
85.06551	2.2
86.00665	5.8
86.09738	2.4
86.99055	4.1
87.04467	1.1
88.02196	3.4
91.05476	15.3
92.67371	1.2
93.07038	18.2
94.06568	4.1
95.04986	10.0
95.08616	12.8
97.01115	4.6
97.02905	3.1
97.06531	14.0
97.10170	12.2
98.00716	1.2
98.06001	1.5
99.05559	2.5
100.02200	2.9
102.05561	1.2
103.05434	1.6
105.07055	10.6
106.06585	1.3
107.04954	7.0
107.06086	1.2
107.08590	18.9
108.04558	1.1
109.02872	4.7
109.06528	5.2
109.07648	3.1
109.10160	19.0
110.06099	1.6
110.99020	2.2
111.02679	4.1
111.04442	3.4
111.08083	3.7
112.02203	5.0
112.03970	2.2
113.00553	2.6
114.00097	1.1
114.03738	3.8
116.01683	31.1
117.07036	4.1
118.06548	1.4
119.04921	1.3
119.08579	8.5
120.08138	3.3
121.06512	2.3
121.10139	5.4
122.09671	2.7
123.02644	3.8
123.08092	6.6
124.02172	1.9
124.71587	1.1
125.00676	1.1
125.04255	1.2
125.09637	10.5
126.03737	12.1
128.01547	1.3
129.06546	5.4
130.05005	14.5
131.08575	5.4
133.06502	2.7
133.10110	4.4
135.04437	1.3
135.08078	8.4
136.03999	1.6
136.06155	1.3
137.04199	2.0
137.09622	5.3
138.03676	6.0
139.02153	1.7
139.05771	1.2
139.11208	2.5
140.01659	3.4
141.02399	1.9
141.04878	3.3
142.03238	9.1
142.05022	1.3
143.02730	2.1
143.08569	1.6
144.01161	15.5
145.06094	5.2
145.10129	4.2
147.04430	4.2
147.08066	3.1
147.11691	2.5
148.11201	2.8
149.06012	1.5
149.09616	2.6
150.03717	2.5
151.05838	1.4
151.07549	5.2
152.01714	1.4
152.05324	2.2
153.06566	1.8
153.09126	3.3
154.06766	2.0
155.05257	2.0
155.08232	3.7
155.10623	1.4
157.10150	2.1
159.08020	2.0
159.11644	1.2
161.09648	3.1
162.02220	36.6
163.03941	1.9
163.05896	1.4
163.07552	4.5
163.11174	1.3
165.05507	1.7
165.07344	5.3
166.03300	1.5
167.05194	1.2
169.10104	1.7
170.02684	5.1
171.10295	1.8
173.09663	2.5
173.11725	11.8
175.11168	2.5
176.10692	1.3
177.03371	4.8
177.07384	1.2
177.09058	1.4
179.04861	58.4
179.10689	1.6
180.08423	1.9
181.06204	1.3
182.09944	1.7
185.03825	4.7
187.05403	8.1
189.11243	7.2
191.10699	1.9
193.06859	1.2
193.12274	2.5
194.09851	1.5
199.07178	1.6
203.12823	1.8
205.06793	2.1
207.08540	1.3
210.09453	6.2
215.04860	4.3
220.03204	1.1
222.13048	1.8
222.14986	2.3
224.11082	1.6
225.09406	1.6
227.04906	1.5
231.04366	9.7
232.11427	1.6
233.05937	24.6
233.08131	2.6
234.06436	1.5
234.09624	1.3
234.14909	2.3
236.10974	1.8
242.11844	1.3
243.17496	3.2
245.05882	3.9
250.12617	14.7
251.10966	1.8
252.10495	7.4
255.04495	1.5
259.09543	1.6
261.18451	2.3
266.12088	2.8
268.13651	26.8
270.11505	1.7
271.16989	2.4
273.18481	1.5
278.11996	2.4
278.64627	1.3
283.11041	1.4
285.10141	2.4
289.17966	24.7
289.20953	1.8
291.06567	3.4
291.19626	2.0
293.15637	2.2
295.11252	3.4
303.14267	1.8
307.19101	10.1
308.09113	24.3
313.12180	4.6
320.16922	1.6
321.15244	12.3
323.16818	1.5
325.15790	11.2
327.13724	5.6
342.97845	1.4
346.18372	9.8
347.16650	3.1
353.15302	2.1
355.13272	4.4
357.15158	1.8
364.19406	28.3
365.17554	2.2
371.16385	16.9
373.14288	8.5
374.17865	3.5
382.20505	34.9
392.18860	25.5
398.14877	2.2
400.21432	3.3
410.20102	1.8
421.21790	1.9
449.21054	21.0
467.22144	100.0
468.22501	2.4
485.23190	30.7
503.23917	1.7
521.23071	1.8
539.23730	3.7
557.25311	20.2
596.25995	2.7
614.26819	3.2
632.27759	10.4
645.07111	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01872	4.5
55.05283	0.6
55.05513	7.7
56.05020	1.4
57.03426	0.9
58.99347	0.6
58.99588	7.4
59.04984	0.8
61.30643	0.4
65.03925	1.0
67.05503	16.9
68.05019	0.6
69.03422	1.5
69.07065	7.4
70.02951	0.7
70.06590	1.1
70.12022	1.6
73.01118	0.7
74.00657	2.2
76.02229	22.3
76.03991	1.7
79.05494	8.4
80.05019	1.8
81.03399	2.0
81.07057	8.3
82.06565	1.0
83.04983	4.5
83.06102	3.0
83.08605	4.0
84.04505	9.2
85.01120	1.1
85.02891	0.9
85.04031	0.6
85.06532	0.7
86.00629	1.5
86.09711	0.6
86.99056	2.5
87.02718	0.5
88.02195	1.1
91.05482	6.1
93.07049	7.7
94.06568	2.1
95.04971	6.3
95.05524	0.9
95.08607	8.3
96.04520	0.5
96.05254	0.4
97.01129	2.4
97.02905	1.3
97.06530	4.1
97.10159	5.7
98.00578	0.5
98.20825	0.6
99.02682	1.0
99.05582	1.9
99.08113	0.5
100.02208	1.4
105.07026	6.1
106.06609	0.6
107.04964	1.7
107.07363	0.9
107.08584	6.7
108.08104	1.3
109.02852	1.1
109.06511	8.0
109.07634	0.9
109.10152	10.1
111.02658	1.6
111.04445	1.3
111.08092	1.0
112.02192	7.7
113.00584	1.1
113.02956	0.7
113.04230	0.5
114.03743	2.7
116.01678	10.3
117.07002	3.5
118.06541	1.3
119.04900	0.5
119.06075	0.4
119.07295	0.5
119.08578	4.6
120.08108	1.2
121.06527	1.0
121.10133	1.6
122.09654	2.6
122.10435	0.5
123.02648	1.2
123.04413	0.6
123.08072	4.3
124.02166	1.8
125.00611	0.8
125.04230	0.6
125.09628	7.7
126.03749	1.0
127.02158	0.8
129.06566	2.4
130.05003	4.9
131.04482	0.6
131.08554	1.6
132.08060	1.1
133.06483	2.0
133.08884	1.2
133.10121	2.3
134.09644	1.4
135.02632	1.2
135.08055	3.9
135.11690	0.9
136.11163	0.5
137.03120	1.0
137.04207	4.2
137.05875	0.7
137.09610	2.5
138.03717	3.6
139.02158	0.5
139.03250	0.9
139.05737	1.5
140.01677	1.2
140.05305	3.1
141.04776	1.1
142.03201	5.0
143.08640	0.6
144.01167	4.2
145.06067	3.9
145.10138	1.2
146.09633	0.9
147.08055	2.3
147.11681	0.9
148.07613	0.5
148.11217	1.0
149.04211	0.9
149.09578	0.9
150.03755	0.7
150.09134	0.6
151.04524	0.6
151.05745	0.9
151.07556	3.6
152.01685	1.0
152.05295	0.7
153.03734	0.7
153.06575	1.0
153.09123	1.2
154.06845	3.4
155.05212	0.6
155.08324	0.8
155.10712	0.7
156.08371	1.2
157.10170	0.9
157.96732	0.5
158.02675	0.7
159.08046	1.4
161.09628	1.5
162.02213	12.0
163.05789	0.7
163.07547	1.1
163.11174	0.8
164.05299	0.5
165.03661	0.7
165.09125	0.9
166.06845	11.7
167.05281	1.8
167.07646	0.6
168.08395	2.7
169.04320	3.2
169.06023	1.0
169.10159	0.6
170.02715	1.9
171.11726	0.5
173.09586	0.6
173.11752	5.3
175.11043	0.6
177.03270	2.8
179.04861	18.3
179.10712	0.7
180.08415	8.6
181.06203	1.2
182.10005	1.9
185.03792	3.4
187.05377	2.9
189.03281	0.8
189.11263	2.8
191.05209	0.5
191.10664	0.6
192.08426	0.9
193.12236	0.7
194.10033	0.7
199.07257	0.8
205.06752	0.5
209.11719	0.8
210.09488	2.3
215.02791	0.5
215.04855	10.4
215.06813	0.9
221.11836	0.7
223.08975	1.0
223.13293	0.5
225.16475	0.6
231.04347	7.2
233.05916	8.3
238.09041	1.6
243.17606	0.8
245.05865	1.3
248.11069	3.2
250.12587	2.1
251.11191	0.7
256.09537	0.8
259.09787	0.9
261.18497	0.6
266.12137	3.0
268.13666	1.4
269.09567	5.1
271.11087	1.9
271.16928	1.4
283.11118	10.4
283.15567	0.5
289.18005	12.7
291.06522	1.0
295.08011	0.5
295.10965	2.6
303.14175	1.4
306.07553	0.5
307.19022	9.2
307.22391	0.8
308.09094	9.6
312.19635	0.5
313.12112	2.3
319.17242	0.8
321.15176	8.9
323.16849	0.9
329.15717	0.7
336.19940	0.7
346.18436	3.5
347.16696	5.1
353.93719	0.6
364.19409	9.5
365.17792	14.2
374.18054	0.6
382.20538	5.6
392.18924	1.8
398.14944	1.3
400.21307	1.0
410.20425	0.9
416.16058	0.7
421.21503	1.3
439.22589	1.5
449.21188	3.4
467.15390	0.7
467.22125	18.7
485.23163	100.0
486.23428	2.3
503.22220	0.7
521.22766	0.7
533.22876	1.0
539.24213	0.5
557.25226	10.8
596.26221	1.9
614.27124	1.9
632.28619	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	633.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70935	1.3
54.87581	1.5
69.03406	1.7
69.91122	1.4
71.48682	1.9
71.49046	1.5
82.45336	1.5
85.02905	8.7
97.02866	1.8
100.69744	1.3
107.52219	1.4
108.26108	1.3
118.06541	8.0
120.28406	1.4
127.03879	1.8
130.06517	4.5
132.08086	5.3
135.58252	1.6
143.07285	3.3
144.08109	11.5
146.06006	46.5
156.08104	4.9
159.09113	3.5
160.07562	4.3
168.08089	3.0
170.06010	3.6
184.07628	3.6
185.08342	1.5
188.07071	100.0
202.08678	2.7
205.09720	69.7
219.01778	1.5
229.09799	2.3
230.08124	30.2
237.02942	2.0
247.10751	12.4
258.11224	2.0
260.09290	1.6
261.08859	1.5
279.23691	1.5
331.12708	2.4
332.11093	3.1
342.55948	1.5
349.13892	4.5
350.12411	11.0
350.35913	1.5
367.14987	39.8
377.51025	1.5
402.71838	1.6
444.67163	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	634.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31876	1.4
55.01870	10.1
55.05511	21.9
56.05029	2.6
56.96583	1.6
57.03437	3.4
57.07073	2.2
58.28033	1.6
58.99584	25.5
59.04999	2.4
61.02919	1.8
65.03944	2.2
67.05141	2.5
67.05502	42.0
68.05027	1.7
69.03426	4.8
69.07067	11.3
70.02956	2.1
70.06605	4.0
70.08237	7.3
71.04993	4.4
71.08631	28.2
72.08162	2.0
73.02909	2.3
74.00661	4.9
76.02227	91.8
76.03998	4.4
79.05490	21.1
79.68598	1.6
80.05019	4.3
81.03430	11.9
81.07060	27.3
81.07529	1.4
82.06568	2.4
83.04984	10.5
83.06078	7.1
83.08629	12.4
84.04504	29.3
84.08160	2.1
85.01118	2.0
85.02905	5.7
85.04024	1.6
85.06533	3.4
86.00663	5.4
86.09745	3.4
86.99058	10.1
87.74264	1.6
88.02232	3.3
91.05492	16.8
93.07051	18.6
94.06574	5.2
95.04974	8.8
95.08607	26.5
97.01131	5.4
97.02901	3.9
97.06546	8.0
97.10170	13.9
99.05584	2.7
99.08091	19.0
100.02187	3.5
105.07056	9.3
107.04961	20.5
107.08582	13.7
109.02859	5.7
109.06520	5.3
109.07648	3.4
109.10149	30.2
110.06049	2.3
110.99022	4.1
111.02673	11.6
111.08106	2.4
112.02209	5.9
112.04006	2.0
113.00555	3.3
113.02959	2.7
113.05978	1.8
114.03758	6.2
116.01678	40.1
117.07036	2.8
119.08586	10.3
120.08144	3.7
121.02885	1.4
121.06505	4.7
121.10146	8.0
122.09636	1.4
123.02656	2.6
123.04456	3.5
123.08061	2.7
124.02160	2.4
125.04205	1.7
125.09641	13.2
126.03751	17.8
129.06650	6.8
130.04999	21.3
131.04906	1.7
131.08562	5.6
133.10118	7.2
135.04411	6.5
135.05382	1.9
135.08038	5.5
135.11691	2.6
136.03955	1.8
137.04234	2.6
137.09613	5.7
138.03723	3.3
139.02182	2.9
139.11188	5.5
141.04742	3.1
142.03206	10.4
143.02789	1.6
143.08574	2.5
144.01146	17.7
145.06117	5.3
145.10095	3.2
147.11717	5.9
149.02399	3.9
149.06012	3.9
149.09612	3.7
150.12767	3.8
151.03918	4.5
151.11195	4.7
152.05307	5.3
153.03687	1.7
153.05444	2.3
153.06554	2.5
153.09116	2.3
154.06891	2.8
155.08234	2.8
155.10669	7.1
157.06798	5.8
157.10118	6.1
162.02203	43.8
163.11154	2.5
165.05457	11.1
165.09084	8.3
165.12778	2.1
167.07057	4.8
167.08911	3.0
167.10648	2.8
170.02763	6.2
171.11658	2.2
173.11739	16.2
174.09406	1.5
175.11188	4.9
177.03346	4.7
177.05479	5.8
177.12790	2.7
179.04855	76.5
181.06090	3.6
182.10016	3.8
183.08342	2.6
184.11600	4.0
185.03804	5.5
187.05411	13.2
189.07419	2.2
189.11223	9.4
191.07019	2.0
193.12221	12.2
194.09979	2.3
195.06570	6.1
195.08255	1.9
199.07127	1.9
206.75702	1.6
207.08463	3.4
209.08148	10.7
209.09866	2.9
211.13281	27.9
212.11041	7.7
213.07599	2.8
215.04863	4.8
216.03250	1.7
222.13100	3.1
222.14961	2.9
225.09451	2.9
227.09232	9.1
231.04350	13.8
232.11525	3.7
233.05896	31.0
234.15016	1.9
235.15620	2.1
245.05768	3.8
250.12617	21.6
251.11066	2.6
252.10570	10.6
263.20111	2.5
266.12131	1.9
268.13651	53.8
273.18503	3.1
277.16428	3.0
278.12088	2.5
285.12665	2.7
290.08011	1.8
291.06503	2.1
291.19553	36.1
292.19998	1.7
293.21045	3.8
297.12720	2.2
305.15530	2.7
308.09073	30.4
308.12485	2.4
309.20523	12.1
315.13916	7.0
323.16766	13.7
325.15695	14.0
327.13852	6.5
341.17896	1.8
348.19879	9.5
349.18463	2.2
353.15448	2.6
355.13239	5.5
366.20978	37.4
367.19061	2.5
371.16318	28.7
373.14377	8.4
376.19424	4.0
384.22046	37.1
394.20480	50.8
402.23279	3.5
405.21851	2.0
451.22543	23.1
469.23688	100.0
487.24789	38.6
505.25589	4.2
523.24841	3.4
541.25952	2.9
559.26703	21.5
598.27692	4.4
616.29138	3.1
634.30139	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	634.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.01870	2.5
55.05513	8.7
56.05022	0.9
57.03437	1.2
57.93080	0.5
57.98799	0.6
58.99587	7.6
61.01147	0.8
65.03931	1.2
67.05508	16.4
69.03422	1.6
69.07070	3.4
69.56868	1.0
69.57285	2.6
70.02953	1.0
70.06584	1.0
71.04974	1.4
71.08630	7.7
73.01136	0.6
74.00670	2.6
76.02229	27.4
76.03996	2.0
79.05169	0.5
79.05504	6.2
80.05006	2.3
81.03423	2.6
81.07057	7.0
82.06570	1.8
83.04972	1.3
83.06119	2.9
83.08616	4.5
84.04511	11.1
85.01117	1.0
85.02908	0.9
85.04037	1.1
85.06535	1.0
86.00640	1.1
86.99043	2.7
87.02692	0.5
88.02219	1.6
91.05493	4.4
93.07036	5.7
94.06566	1.9
95.04958	2.7
95.08616	8.7
96.04509	1.2
97.01103	2.4
97.06522	1.5
97.10172	5.9
98.00645	1.7
99.02677	1.4
99.05572	1.7
99.08088	5.1
100.02193	1.4
101.00564	0.5
102.03772	1.5
105.07028	3.0
106.06519	0.7
107.04974	4.9
107.06079	1.3
107.07417	0.6
107.08610	4.9
109.06539	1.1
109.07655	1.0
109.10165	12.4
111.02679	2.2
111.04443	1.4
111.08102	1.8
112.02194	4.5
112.03986	0.7
113.00599	3.4
113.02945	1.4
113.06059	0.6
114.03754	2.3
116.01680	13.9
117.07029	1.6
119.08559	3.8
121.06518	1.1
121.10187	2.5
122.09640	1.1
123.02663	2.2
123.04459	1.0
123.08088	1.6
124.02181	1.6
124.11222	0.8
125.04192	0.7
125.09644	3.9
126.03745	9.3
127.02113	0.7
127.05791	0.6
129.06609	2.9
130.04999	5.2
131.04562	0.9
131.08621	1.4
133.06487	0.6
133.10141	1.0
134.09631	0.8
135.02670	0.9
135.08075	1.5
135.11685	1.0
136.02139	0.6
136.03922	1.0
137.04202	1.5
137.09593	2.9
138.03719	1.6
138.12778	1.3
139.02191	2.7
139.03149	1.0
139.05751	4.6
139.11145	1.2
140.05296	1.1
140.10721	1.6
141.04834	1.5
142.03227	3.5
144.01158	5.4
145.06093	2.3
145.10155	1.5
147.07913	0.6
147.11679	1.5
149.09637	2.0
150.03806	0.5
150.12794	2.4
151.05647	0.7
151.11224	1.4
152.10718	0.7
153.06613	0.7
153.09138	1.5
155.05257	0.9
155.08209	1.2
155.10696	1.8
156.08434	1.7
157.10161	1.2
158.09987	2.6
159.02290	0.7
159.11713	0.7
161.09647	0.8
162.02208	13.9
163.11157	1.1
165.03796	0.9
165.05522	1.5
165.07413	0.9
165.09018	1.2
166.12335	0.8
168.08432	7.8
169.06874	1.7
169.09232	1.4
170.02716	2.5
170.10001	6.0
173.11758	4.6
175.05823	0.5
175.11186	1.1
177.03300	2.5
178.12181	0.7
179.04875	12.8
179.10649	0.8
181.06758	1.0
182.09985	6.6
184.11552	3.6
185.03828	3.7
187.05368	3.2
188.03819	0.8
189.11255	2.2
191.10709	0.6
193.12294	1.3
194.10040	1.5
196.11620	0.7
197.09993	0.7
199.07202	1.1
207.08466	1.0
209.08156	1.4
209.11842	0.7
210.09344	0.8
211.13304	2.1
212.11053	5.5
214.12535	0.7
215.04895	0.7
228.02364	0.6
228.10583	0.8
229.06422	0.7
231.04338	7.5
233.05942	8.7
239.12186	0.6
240.10594	0.9
243.10535	1.3
245.05862	1.7
245.19176	0.7
248.11018	2.5
250.12633	3.0
251.11053	1.2
257.07562	0.6
263.20169	1.2
266.12137	2.3
268.13708	2.1
271.11230	1.6
273.12750	2.1
273.18536	1.3
277.16418	0.8
285.12674	19.5
291.19577	10.3
293.21066	0.7
297.12643	2.2
305.15570	2.7
308.09146	7.9
308.22043	0.6
309.20514	2.7
315.13824	1.5
320.20340	1.0
321.18808	1.0
323.16794	10.2
330.18829	1.1
331.17349	1.1
348.19952	10.1
349.18286	7.2
366.20969	12.4
367.19376	14.9
371.16299	0.8
376.19580	1.1
384.22043	4.6
394.20630	2.4
402.22845	0.6
412.21396	0.7
423.22937	0.9
436.34549	1.2
441.24231	1.3
451.22696	4.2
454.35373	0.8
469.23730	22.4
487.24753	100.0
488.24719	1.0
523.24084	1.0
535.24750	1.3
541.26276	0.7
559.26923	11.0
598.27930	2.6
616.29156	2.3
634.30200	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	636.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50844	1.4
53.03943	3.6
55.01871	2.4
55.05513	8.0
56.05023	3.3
57.03429	2.1
57.07055	2.3
58.71300	1.4
60.05638	2.0
60.11350	1.6
67.05504	17.4
69.03407	5.1
69.07046	5.5
70.06554	1.8
71.04978	4.2
71.49919	2.7
79.05487	18.6
81.03414	6.3
81.05750	2.3
81.07056	17.7
82.06574	4.7
83.04969	3.7
83.08611	6.0
84.08123	2.5
85.02905	5.7
85.06544	2.1
87.04456	4.0
90.36591	1.6
91.05467	8.6
93.07043	24.8
94.06571	14.8
95.04962	6.5
95.08602	29.2
96.08122	2.7
97.02917	2.5
97.06534	9.5
97.10168	4.5
102.91456	1.9
105.07027	14.6
107.07357	4.1
107.08568	4.6
109.10152	6.3
110.09679	9.8
111.04447	1.8
111.08086	15.5
119.08568	4.7
121.10165	2.8
122.09673	31.3
123.07228	2.7
123.08065	32.5
123.11655	2.5
128.10716	34.3
130.53111	1.8
131.08540	3.2
134.44991	1.6
137.13199	2.3
140.10698	100.0
141.09119	21.1
145.10155	3.0
158.10664	1.7
158.11710	8.2
242.98195	1.7
253.25244	3.1
285.09967	1.8
291.19412	2.9
298.27316	6.6
316.28470	8.2
342.29935	2.9
378.61465	1.9
384.15170	1.8
407.53592	2.0
408.34109	3.0
420.34763	2.4
421.34369	4.9
438.35748	31.7
439.35757	2.6
456.36832	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01868	6.0
55.05522	7.4
56.96569	2.9
57.03429	2.8
63.47001	1.2
66.76913	1.3
67.05510	17.2
69.03427	1.9
69.07069	29.0
69.29706	3.6
69.30109	9.4
71.04993	2.1
79.05491	22.2
81.03415	14.9
81.07061	19.0
83.05000	9.0
83.08602	3.0
84.96029	3.0
85.06525	2.0
91.05484	17.7
93.07050	24.8
95.04980	11.3
95.08611	16.2
97.06529	7.7
97.10166	4.0
105.07024	16.0
107.04956	46.4
107.08585	13.0
109.06505	2.7
109.10159	6.0
111.04455	2.4
111.08063	2.6
117.01579	1.4
117.07031	5.9
119.08585	15.8
121.06514	2.2
121.10132	9.7
123.08069	4.3
129.01181	1.4
129.06978	3.1
131.08549	9.2
133.06435	2.9
133.10124	9.7
135.08054	14.4
135.11697	1.7
137.09613	4.4
139.11174	4.0
142.07779	1.6
143.08577	3.1
145.10138	7.8
147.08073	4.2
147.11700	3.1
149.09619	24.5
149.13266	1.9
151.07626	2.9
157.10155	4.1
159.11702	4.3
161.01344	2.5
161.09660	5.9
163.11192	2.3
165.09125	1.9
171.11659	3.0
173.11810	1.8
175.11215	3.5
177.12769	3.7
195.13763	1.9
203.12729	3.3
237.14862	6.5
255.17583	2.0
257.19012	2.6
257.74246	1.5
263.20050	2.1
273.18481	16.5
275.20090	30.8
282.98004	3.2
291.19547	100.0
293.21149	21.8
300.98996	2.1
309.20624	5.3
313.20462	2.7
331.21567	2.4
395.21512	1.4
402.38242	2.0
524.17804	1.5
595.24432	14.2
596.25018	1.9
636.26813	1.8
636.41656	1.6
647.47235	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	636.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01860	5.3
55.05518	14.5
57.03429	2.6
67.05509	28.4
69.03413	3.7
69.07069	43.0
71.04985	4.0
79.05494	38.7
81.03393	8.4
81.07057	32.8
83.04972	8.0
83.08613	5.3
85.06531	1.5
91.05483	25.0
93.07041	44.7
95.04967	19.5
95.08598	21.8
97.06526	9.5
97.10143	7.3
105.04539	1.9
105.07035	27.8
107.04958	29.8
107.08595	25.8
109.06501	4.5
109.10158	10.2
111.04443	2.8
111.08076	1.8
111.11732	1.9
117.07027	10.8
119.08581	26.3
121.06533	3.1
121.10143	21.8
123.08057	3.1
123.11694	2.9
125.09566	2.0
129.07060	3.3
131.08574	12.0
133.10139	19.8
135.08054	22.5
135.11693	3.1
137.09622	6.0
139.11197	10.3
141.06972	1.6
141.84911	1.4
143.08582	3.8
145.10124	11.7
147.08072	2.3
147.11679	9.5
149.09650	8.9
149.13181	1.4
151.11148	1.3
154.17377	1.3
157.10081	3.7
159.11687	5.3
161.09625	3.8
161.13205	2.1
163.11137	2.8
169.10039	3.2
171.11617	1.7
173.09647	1.5
173.11786	2.1
173.13214	3.2
175.11171	3.2
177.12770	2.6
183.11681	1.5
183.13829	3.0
187.14867	2.2
191.14265	2.1
193.34529	1.4
195.78836	1.5
197.13177	1.8
199.14810	1.3
203.12776	13.2
207.13834	3.4
219.13803	2.8
223.17024	2.2
237.14871	11.7
239.17957	1.6
257.18997	3.9
273.18564	8.0
275.20059	100.0
276.75656	1.5
284.85767	1.5
291.19553	26.3
293.21097	57.6
309.20532	13.3
334.15768	1.3
356.94247	1.5
448.49698	1.6
511.88300	1.4
583.39319	1.7
636.41150	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	636.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.01864	7.1
55.05501	15.1
62.58366	3.0
67.05505	29.8
67.96709	2.7
69.03426	4.0
69.07066	30.4
69.48373	23.5
71.04991	2.7
71.08630	3.4
79.05482	26.2
81.03429	16.0
81.07055	21.9
83.04984	15.6
83.08622	5.4
91.05475	29.5
93.06593	3.1
93.07046	36.5
93.40305	3.2
93.40952	3.6
95.04963	11.4
95.08605	25.7
97.06537	14.0
97.10162	4.6
99.04403	4.7
105.07035	20.5
107.04956	47.3
107.08620	18.4
109.10135	11.0
111.04433	5.7
112.66502	2.5
113.12536	3.0
117.06984	7.7
119.08571	20.7
121.06480	5.0
121.10156	15.2
123.08095	5.8
129.07005	2.7
131.08586	14.8
133.06535	3.8
133.10170	13.4
135.08051	14.3
135.11693	4.6
137.09604	7.3
139.11179	6.8
143.08464	2.8
145.10106	9.7
147.08054	3.3
149.09636	27.1
151.11162	3.0
157.10201	5.3
159.11710	6.7
161.09554	5.7
163.11166	4.1
165.09125	4.0
175.11218	8.0
187.14751	3.6
195.13828	5.0
196.57877	3.1
203.12698	11.0
215.39949	3.2
255.17274	3.2
257.19147	3.6
273.18484	23.7
275.20065	36.8
291.19525	100.0
293.20999	14.0
293.70670	2.8
309.20361	4.4
399.49448	3.3
583.40167	4.7
636.41388	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	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62059	0.8
55.05505	1.0
67.05502	1.8
69.07058	1.1
69.53018	1.5
69.53422	4.7
81.07050	1.4
93.07055	1.1
95.08617	1.1
98.21483	1.8
102.82142	0.8
109.10113	1.1
119.08511	0.9
135.65228	0.8
223.36203	0.9
275.65778	1.0
356.62115	0.8
386.15652	1.2
387.15970	0.9
393.20471	1.7
399.15964	2.7
400.16946	2.4
401.17432	3.0
405.20621	1.8
407.22382	2.8
413.17517	3.0
414.18372	3.1
415.19351	9.3
415.38474	1.0
416.20206	1.2
417.21063	1.4
421.20212	2.3
427.19510	1.5
428.19940	3.0
429.15924	1.8
429.21494	5.3
430.21881	1.5
435.21826	2.1
441.16998	1.0
442.17645	1.1
443.18106	3.4
443.22845	3.1
444.18741	4.3
445.20169	2.9
447.17838	1.1
455.18634	1.5
456.19406	0.9
457.20532	4.6
458.20712	3.9
461.19476	0.9
461.34610	0.9
471.22574	5.8
472.22971	5.2
473.19485	4.0
474.21143	0.9
475.21613	1.2
484.18826	1.0
485.19635	2.7
486.20374	5.7
487.21167	2.3
488.22128	1.2
490.19751	3.4
499.21442	9.5
500.21509	3.0
502.20181	0.9
503.24197	3.5
513.19238	1.4
514.20490	1.2
516.21588	1.1
517.22900	4.6
527.20514	2.8
531.23792	13.5
541.22125	1.0
543.24408	1.0
559.23401	94.4
560.24042	1.5
587.22900	15.9
619.25513	100.0
620.25842	1.8
637.26868	11.7
637.36957	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	637.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07884	3.0
62.90704	3.2
69.20158	30.1
74.59923	3.3
98.21575	7.0
178.50357	2.9
202.52136	3.1
315.09753	3.6
392.20007	3.4
405.20648	4.8
406.21338	3.9
420.23047	8.4
421.23834	13.0
429.21182	7.9
443.22626	7.3
457.24127	5.4
458.24667	6.4
459.21597	6.7
460.21976	5.8
461.19373	8.4
472.22299	8.4
476.21716	7.0
485.23209	9.4
503.24384	22.2
517.26050	6.8
535.27081	29.1
545.25446	64.6
546.25806	4.3
563.26318	4.0
573.25098	15.0
578.28290	7.8
605.27557	67.3
637.30170	100.0
638.29736	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.1
52.13067	0.9
53.00267	1.1
53.03946	8.7
55.01867	11.9
55.05511	27.5
55.12831	0.9
57.03437	9.4
57.07056	1.5
59.04994	1.5
61.02909	2.8
65.03928	1.8
67.05142	1.9
67.05505	34.7
69.03429	22.1
69.07071	8.8
71.01369	1.3
71.04991	10.5
73.02888	1.8
79.05031	1.5
79.05492	34.8
81.03417	100.0
81.07054	32.2
83.01328	4.1
83.04977	26.3
83.08622	20.6
85.02909	19.9
85.06541	3.2
91.05478	32.2
93.07041	32.1
93.07525	0.6
93.07636	1.1
95.01295	1.1
95.04973	23.6
95.08607	13.5
97.02886	21.4
97.06512	9.4
97.10159	8.6
99.04465	7.1
103.05451	2.6
105.03340	1.2
105.07033	22.3
107.04948	14.4
107.08600	17.2
109.02881	22.9
109.06506	9.3
109.10136	9.1
111.04433	14.9
111.08062	8.5
113.06026	1.7
115.05437	2.7
117.07001	8.7
119.08588	19.7
121.06491	5.8
121.10139	13.7
123.04428	4.0
123.08068	5.6
123.11703	1.6
125.06007	2.3
125.09629	6.1
127.03914	14.0
128.06244	2.3
129.05457	1.3
129.06993	7.9
131.04918	1.5
131.08554	10.7
133.06516	4.4
133.10156	9.7
135.04424	1.1
135.08044	5.5
135.11690	12.0
137.05986	1.2
137.09557	2.1
142.07690	1.5
143.08569	1.9
145.04951	1.5
145.06514	2.5
145.10112	15.1
147.08063	2.7
147.11684	13.5
149.06042	2.0
149.09656	5.8
151.11218	1.5
153.12746	8.3
155.08571	2.5
157.10129	7.7
159.11763	1.7
161.05978	1.7
163.11180	24.3
165.12723	2.7
173.02354	1.3
173.04428	3.9
173.05902	1.7
173.09630	5.6
175.11192	9.7
181.12270	8.6
189.09071	1.1
189.11276	3.2
189.12888	1.2
191.10617	8.8
193.12241	27.9
209.11746	5.9
211.13281	44.1
227.12735	16.7
229.14336	2.6
235.13229	1.6
247.13237	1.5
249.14818	2.9
249.66196	1.1
259.13330	1.3
265.14368	2.3
267.15958	9.0
269.12280	1.3
273.14758	1.9
283.08624	2.2
283.15491	11.3
285.10135	2.9
285.16946	4.6
301.09497	1.5
301.14212	2.8
319.15683	1.4
337.16547	1.6
353.15894	5.0
355.00360	1.4
355.17581	3.9
375.17709	1.3
383.22217	3.2
401.23151	2.9
409.18472	3.7
411.20044	4.2
427.19647	1.6
440.27069	1.3
457.25848	4.4
475.26962	10.9
493.28003	10.3
509.26743	1.3
583.29523	1.3
601.30212	1.9
619.31055	7.9
637.31934	57.0
638.32507	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	638.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01860	1.7
55.05501	2.3
56.05024	1.0
57.03428	1.0
57.07051	0.7
60.04498	0.8
65.03912	0.8
67.04237	0.6
67.05503	7.2
67.68477	0.5
68.05015	1.1
69.03418	1.8
69.07069	2.5
69.37744	3.8
70.06596	3.2
71.04988	0.9
72.04519	0.7
72.08148	1.2
73.02912	0.9
74.06065	1.2
74.08813	0.5
79.05492	7.7
80.05019	6.7
81.03400	2.3
81.07056	21.2
82.06580	26.8
83.04989	1.0
83.08604	1.6
84.05318	0.5
84.08131	1.8
85.02899	3.6
85.06515	0.8
86.09697	3.2
89.06003	1.2
91.05475	6.4
93.05817	0.6
93.07038	5.6
94.06570	33.4
95.04964	5.3
95.08607	4.9
96.08121	2.1
97.02887	1.5
97.06517	4.3
97.10167	0.6
98.06053	0.6
100.07559	0.6
101.02401	0.8
105.07021	1.5
106.06589	0.5
107.04960	4.3
107.08596	2.1
108.05288	0.7
108.08112	18.5
109.02879	0.7
109.06504	3.4
109.10161	4.6
110.09690	0.7
111.04465	0.7
112.07578	0.7
116.98637	0.6
118.06519	0.7
119.04914	2.2
119.08588	1.2
120.08115	2.0
121.06516	0.7
121.08436	0.5
121.10134	3.9
123.08071	0.6
123.11694	2.3
124.06741	1.1
124.07590	16.0
125.05947	0.9
126.09169	2.1
127.03891	0.6
129.10228	0.8
130.06529	0.6
131.08568	1.1
132.08031	0.5
133.10095	1.3
134.06047	0.5
135.11665	2.3
136.07579	15.4
137.05980	4.7
138.09138	0.9
142.08633	47.8
143.07028	0.7
144.08119	1.0
147.04407	0.6
147.11705	0.6
149.06010	0.5
149.13280	0.7
151.03978	0.8
154.08624	100.0
156.10168	1.8
159.09242	1.3
160.09459	0.6
163.03888	1.2
163.07526	0.7
163.11237	0.8
166.08604	0.8
167.06992	0.9
172.09680	11.1
173.02353	0.7
175.14758	0.7
184.68764	0.6
201.14674	0.5
205.19518	1.2
211.07721	0.5
215.07039	0.8
223.20625	0.8
237.08754	0.5
239.20030	0.5
243.06546	0.5
256.15280	0.6
259.09650	1.9
260.10052	0.5
268.09824	0.6
268.22812	1.7
273.18024	1.1
278.24619	0.6
285.10126	1.0
286.23834	1.1
301.17102	0.8
368.25906	0.6
371.20477	0.5
374.26816	1.4
376.28378	0.9
386.26926	0.7
392.28015	5.1
404.27957	9.6
410.28940	3.4
422.29001	62.3
423.29376	1.2
440.30069	50.1
441.30377	0.6
458.19794	0.7
458.31073	5.4
476.20023	2.0
476.32513	0.7
638.24097	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	638.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.3
55.01857	5.4
55.05512	17.5
57.07070	3.7
67.05499	25.8
69.07063	19.8
71.08637	7.1
79.05495	25.2
80.12777	3.3
81.03425	19.7
81.07058	19.5
83.04971	11.1
83.08621	4.0
85.06489	3.4
85.56303	2.8
91.05472	25.0
93.07044	33.2
95.04967	16.4
95.08607	23.9
97.06537	9.9
97.10159	6.1
99.08099	7.0
105.07047	14.6
107.04946	43.8
107.08582	17.3
109.06490	4.1
109.10155	11.4
111.04486	3.2
117.06992	7.1
119.08591	18.1
121.06508	3.7
121.10126	10.9
123.08114	2.7
129.06940	3.3
131.08563	10.7
133.10117	13.7
135.08038	12.7
135.11601	2.9
137.09659	8.4
139.11172	3.3
143.08533	4.9
145.10136	7.2
147.11668	6.5
149.09605	24.8
149.13222	3.7
151.11192	19.8
155.10629	3.4
157.10190	6.6
159.11722	9.6
161.09575	6.0
163.11211	6.4
165.12747	3.1
167.10690	3.7
169.10135	4.4
171.11688	5.0
175.11197	3.6
177.12724	8.7
185.13220	4.7
195.13776	5.9
204.63417	3.0
229.07568	3.3
243.38976	3.1
273.18573	23.8
275.20026	17.8
277.21631	23.2
291.19540	100.0
292.19913	3.8
293.21008	26.5
295.22644	20.7
309.20694	3.9
639.28864	3.5
639.39905	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	639.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
53.03952	5.3
54.43441	0.5
55.01870	5.8
55.05512	17.5
56.45038	0.5
56.86983	0.5
56.96559	1.6
57.03438	9.0
59.04998	0.8
59.24802	0.5
61.02914	1.4
65.03938	2.3
67.05505	23.7
69.03429	14.2
69.07075	7.8
71.01337	0.8
71.04985	5.3
71.49390	1.0
73.02911	1.5
77.03933	0.6
79.05492	27.5
81.03419	100.0
81.07054	28.6
81.07542	1.1
83.04979	18.9
83.05482	1.0
83.08618	22.3
85.02905	23.6
85.06549	2.3
90.26411	0.5
91.05479	30.4
93.07046	17.4
95.04967	27.8
95.08609	10.2
96.33974	0.5
97.02890	13.4
97.06534	6.9
97.10165	7.3
99.04459	4.3
99.08112	1.3
101.02386	0.8
103.05442	1.2
105.04514	0.6
105.07027	21.1
105.07702	1.1
107.04956	8.5
107.08592	10.9
109.02883	15.9
109.03622	1.2
109.06516	4.7
109.10155	5.2
111.04444	10.2
111.08075	10.0
113.06006	1.3
115.05477	1.5
117.07018	4.7
119.04977	1.0
119.08584	20.1
121.06519	4.5
121.10143	10.4
123.04458	1.8
123.08040	3.0
123.11700	3.3
125.05984	1.3
125.09595	3.5
127.03920	8.8
127.07567	0.5
128.06262	0.7
129.05492	2.4
129.06998	11.6
131.04973	1.7
131.08577	11.3
133.06465	3.5
133.10129	10.4
135.04367	1.5
135.08044	2.1
135.11673	3.0
137.05989	1.5
137.09628	1.6
141.06927	0.8
142.07805	3.2
143.08562	1.3
145.05026	0.8
145.06508	1.7
145.10101	3.5
147.04390	0.7
147.08087	3.2
147.11681	17.2
149.06004	1.6
149.09616	6.4
151.07582	0.6
153.12746	2.7
155.08592	1.4
157.06496	0.9
157.10117	12.6
157.11322	0.9
158.10519	0.6
159.04453	1.0
159.08090	0.6
159.11763	0.6
161.06032	1.1
161.09645	1.1
163.03940	2.2
163.11192	6.0
165.05553	0.9
165.12749	4.6
167.07054	0.6
171.08067	0.7
171.11780	0.5
173.04515	1.3
173.05981	1.0
173.09647	1.6
175.07668	0.7
175.11179	15.5
181.10124	0.7
181.12213	3.7
183.06583	1.0
187.03882	1.3
187.07596	0.6
187.11227	0.9
189.11278	0.9
189.12801	1.0
191.10718	3.3
193.12244	42.8
194.12619	0.7
197.09674	0.7
199.03836	0.8
199.11218	0.9
203.05901	1.0
209.11749	1.3
211.13287	65.2
212.13773	0.6
213.05505	0.9
213.12927	0.8
213.14847	0.7
217.12115	1.0
227.12721	4.8
229.14490	2.0
231.14066	0.5
233.15385	1.2
235.13377	2.2
249.14980	1.9
255.13860	1.1
263.12936	0.6
267.09042	7.4
267.13669	0.6
267.15939	16.6
267.18625	1.0
269.17422	0.9
273.14932	2.7
277.14319	0.8
283.15491	2.3
285.10117	14.6
285.16953	13.5
285.19879	0.9
286.10553	1.6
291.16074	1.0
301.14310	4.9
303.15961	0.6
308.11801	0.9
309.17099	1.7
311.12659	0.7
313.16687	1.2
319.15631	1.8
321.17453	0.5
337.16812	2.8
351.92551	0.6
354.98169	0.6
355.17944	5.3
357.15695	3.9
357.65756	0.7
367.22879	1.6
375.18329	0.9
385.23621	3.1
393.19110	3.3
403.24844	1.1
411.20053	5.5
429.20956	2.4
447.22391	1.4
459.27594	5.8
477.28519	9.8
485.16620	0.7
493.26691	1.0
495.29547	13.4
495.36584	0.9
511.29410	1.1
519.29791	0.8
521.29626	0.6
543.29327	0.9
547.28003	0.6
561.30804	1.4
565.28131	1.5
573.31287	0.9
585.30804	2.1
603.31744	2.5
621.32422	8.6
639.33850	37.5
640.34509	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	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.8
55.01873	4.5
55.05508	17.9
57.03438	9.9
61.02911	1.5
63.30772	0.9
65.03932	2.3
67.05505	26.5
69.03431	14.5
69.07058	7.4
69.35161	4.0
69.35585	4.8
70.06592	3.3
71.01350	1.7
71.04984	5.1
73.02914	1.4
74.98320	0.8
76.97374	1.0
77.03922	1.0
79.05496	27.8
81.03419	100.0
81.07053	34.9
82.03748	1.3
83.04979	21.0
83.08621	22.4
84.08138	1.4
85.02907	22.5
85.06535	2.5
91.05481	35.7
93.07040	21.2
95.04964	29.0
95.08614	12.9
96.05431	1.1
97.02888	15.2
97.06536	8.6
97.10168	6.6
99.04449	4.8
103.03897	1.0
103.05460	2.5
105.07035	25.9
105.07716	1.9
107.04966	8.4
107.08598	8.9
109.02879	16.1
109.06531	7.6
109.10160	4.5
110.53283	0.9
111.04452	11.3
111.08073	10.8
113.06028	2.2
115.05466	2.8
117.07033	4.8
119.04922	1.3
119.08588	19.8
121.06503	3.9
121.10163	11.2
123.04460	3.3
123.08054	2.9
123.11715	3.9
125.06002	1.6
125.09626	3.9
127.03928	8.4
128.06253	1.1
129.07022	13.5
129.84529	0.9
131.04929	3.2
131.08577	12.2
133.06482	2.3
133.10126	11.1
135.04338	2.0
135.08092	2.6
135.11702	4.1
137.05986	1.5
137.09662	2.1
141.07022	2.0
142.07794	3.3
143.08577	2.8
145.06468	2.2
145.10124	3.9
147.04396	2.5
147.08083	4.3
147.11679	17.7
149.05963	1.5
149.09596	8.4
151.07530	1.2
151.11218	1.0
153.12747	2.2
157.06516	1.4
157.10144	12.6
159.11719	1.7
161.06029	2.3
161.09628	1.3
163.03932	4.1
163.11151	4.9
165.05510	1.1
165.09122	1.8
165.12756	5.7
167.06993	1.7
169.06503	1.2
173.02386	1.7
173.09583	1.3
175.04042	1.0
175.11177	14.2
181.12247	3.4
183.13814	1.3
185.05917	1.0
187.03760	2.0
187.07591	1.6
189.05441	1.6
189.11247	2.4
191.10658	3.9
193.10457	2.2
193.12245	44.3
201.05467	1.7
209.11696	2.0
211.13293	69.0
213.05449	1.8
227.12697	5.7
235.13098	3.0
249.14883	3.3
267.13446	2.0
267.15955	17.0
273.14908	3.1
283.12885	1.2
283.15607	2.7
285.10068	2.2
285.17014	12.3
301.14392	4.4
311.12991	1.7
319.15475	1.7
337.16370	3.5
355.17386	4.6
367.22809	1.7
375.18182	1.6
385.23788	2.7
393.19141	3.6
411.20142	7.2
429.19745	3.8
459.27374	8.0
477.28616	9.6
480.49225	1.4
495.29645	13.7
501.27975	1.3
561.30139	1.5
565.27765	2.4
585.30280	2.1
603.31299	3.3
621.32159	9.9
639.34216	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	639.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05425	0.2
56.96497	8.4
56.96811	1.1
60.78183	0.3
67.05470	0.3
69.07014	0.4
69.16774	3.1
71.95192	0.9
74.97578	0.3
79.05431	0.5
81.03368	0.5
81.07014	0.7
84.95977	0.4
85.02860	0.3
85.23286	0.2
90.94766	0.3
91.05409	0.6
93.06999	0.4
95.01831	0.3
95.04904	0.4
95.08507	0.3
97.10018	0.2
98.21536	0.6
98.97482	0.8
105.06956	0.5
107.04889	0.5
109.10077	0.3
110.97531	1.0
116.98594	1.2
119.08462	0.4
123.01155	0.4
128.98618	2.0
131.00078	0.3
134.99554	0.5
137.02635	0.4
145.01659	0.3
146.99649	2.9
149.01151	1.1
151.00536	0.3
153.02170	0.3
155.03780	0.7
157.01683	0.8
161.01135	0.9
165.00624	1.0
167.02235	0.4
167.03719	0.7
169.01700	0.4
170.01208	0.4
171.03305	2.2
173.04800	0.5
173.06473	0.4
175.02649	0.7
177.04187	0.3
179.02127	0.3
181.05313	0.4
183.03189	0.6
184.98981	0.3
185.04840	2.7
187.02699	0.5
189.04358	3.4
191.05865	0.6
191.07460	0.3
195.06868	0.4
197.04861	0.4
198.01935	0.4
199.02917	0.3
199.06430	4.2
201.04253	0.8
203.05911	4.8
205.07349	0.6
209.04872	0.3
209.06833	0.6
211.02866	0.3
211.06389	0.7
211.46222	0.3
213.07846	0.6
215.05795	0.5
217.05417	0.5
217.07469	8.6
219.03235	0.5
219.06827	0.3
221.06862	0.7
222.08020	0.4
223.02768	1.8
223.06293	0.7
223.08447	1.0
224.03528	0.6
225.04207	0.6
225.07870	0.6
226.05035	1.0
226.07187	0.3
227.05759	0.8
229.07346	0.7
231.06931	0.5
231.08957	0.6
237.04332	3.8
237.07861	0.6
238.05040	0.4
239.09410	0.6
239.11456	0.3
240.09018	0.6
241.03711	0.5
241.07408	0.4
243.09053	0.7
244.06165	0.3
245.06827	0.7
247.08409	0.5
249.04359	0.3
249.07866	0.8
250.04919	0.3
251.05797	0.6
251.09528	0.4
253.11034	0.9
255.05304	1.3
255.08943	1.2
256.06238	0.4
257.10449	0.4
261.07712	0.3
261.10208	0.3
262.08667	1.0
267.09082	2.1
269.10580	0.6
271.12164	0.7
273.10068	0.8
277.11136	0.4
278.08289	1.6
279.08890	0.9
280.09741	2.5
281.10190	0.4
283.08484	0.4
285.10062	1.3
289.14859	0.4
291.19318	0.3
293.10611	0.3
296.09250	1.1
297.10092	0.6
298.07944	0.3
298.10861	1.7
299.11530	0.4
303.11191	0.4
305.14029	0.4
307.15756	1.6
313.16446	0.4
319.15637	0.6
321.17422	0.4
325.16788	0.8
329.14301	2.1
331.15649	17.1
332.16220	0.4
347.15482	13.2
349.16833	100.0
350.17047	2.0
365.16681	10.9
367.17892	5.4
370.16885	0.5
372.18433	13.1
373.18808	0.6
383.17355	0.7
388.18268	2.1
541.28137	0.7
576.08337	0.3
611.28467	0.3
621.34833	0.9
639.35712	31.2
640.35992	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	641.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
57.07061	1.2
67.05502	1.4
69.07061	1.2
69.37301	0.3
70.56386	0.5
70.56718	0.6
71.04999	0.4
71.08639	1.1
71.97443	0.3
73.07565	0.3
79.05504	1.0
81.07053	1.0
89.06045	1.7
91.05498	0.9
93.07050	1.1
95.04974	0.4
95.08617	1.1
97.10155	0.4
105.07059	0.7
107.04987	0.7
107.08583	0.6
109.10158	0.4
119.08612	0.5
121.10151	0.7
123.08101	0.3
131.08469	0.4
133.08632	1.0
133.10118	0.5
147.05495	0.4
159.38542	0.4
161.13333	0.3
177.11224	0.4
248.20569	0.3
315.19363	3.7
331.18271	1.0
349.19821	2.6
367.20264	0.4
457.29196	0.7
476.18268	0.4
537.93030	0.3
543.33197	0.6
555.33240	0.5
572.33374	1.3
610.63446	0.4
623.38696	0.4
641.40216	100.0
642.40643	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	641.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
55.05513	1.0
55.82510	0.5
57.03455	0.5
57.07071	0.6
65.23667	0.4
67.05489	1.5
69.07086	0.5
69.58659	0.7
69.59065	2.9
71.08612	0.6
78.19389	0.5
79.05482	1.4
81.07056	2.1
83.08638	0.5
84.35043	0.4
91.05489	1.1
93.07035	1.3
93.30983	0.5
95.04994	0.5
95.08604	1.0
97.02956	0.5
105.07037	0.7
107.08620	0.7
119.01063	1.6
119.08526	0.6
123.08086	0.6
130.26706	0.5
131.08577	0.6
171.11700	0.5
203.10556	0.7
209.40952	0.5
235.13013	0.8
255.15315	0.5
262.11841	1.3
263.12656	0.9
264.13339	0.8
313.27670	0.6
331.18701	1.6
333.20343	8.9
349.18967	0.7
379.95798	0.5
397.81866	0.5
419.24219	0.7
438.13614	0.5
445.25452	0.7
456.53665	0.5
473.28979	0.8
495.16632	2.1
543.32867	2.4
572.33331	1.2
623.39240	0.5
641.40210	100.0
642.23138	2.1
642.40515	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	642.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05497	0.5
57.03433	1.5
57.75924	0.4
61.02915	1.1
67.05498	0.7
67.09105	0.4
69.03431	4.8
69.55260	2.9
70.06582	2.2
71.04983	0.7
73.02906	1.2
79.01827	0.6
79.05489	0.8
81.03416	1.8
81.07083	0.4
82.06570	0.4
83.04992	1.7
84.08156	0.6
85.02902	5.1
87.04483	0.8
91.03927	0.8
91.05489	0.4
93.05804	0.7
93.07010	0.5
97.02892	2.8
98.06048	1.0
98.21513	0.7
98.97611	0.4
99.04445	0.7
106.06557	0.8
107.04953	1.3
107.08588	0.8
108.04469	0.7
109.02914	1.2
111.04441	2.2
112.07600	3.6
118.03559	0.4
120.08116	6.8
121.06465	0.4
121.08897	4.3
125.02375	0.6
127.03941	0.9
130.06592	0.4
132.08047	0.5
133.10225	0.4
134.06012	0.6
135.04413	1.4
136.07576	5.1
137.08432	0.7
139.03903	40.1
145.02917	0.9
148.07573	11.4
149.08363	28.2
150.05544	1.0
150.09154	2.4
152.07028	0.5
161.08382	0.6
162.03181	0.8
162.09155	1.7
163.03934	1.1
163.11142	0.5
168.08046	2.2
173.08348	0.4
174.09192	0.7
175.06300	1.3
175.09901	0.5
176.04692	2.1
176.07079	0.6
176.10713	5.8
177.05568	2.6
177.07964	0.5
178.08659	1.6
182.09692	1.0
184.07628	0.5
185.08435	1.3
186.09132	9.3
188.07108	0.9
188.10736	1.0
189.05460	1.0
190.08611	0.7
198.09108	2.4
199.09894	0.8
200.10707	2.5
202.08612	2.0
204.10280	1.4
204.16008	0.4
210.09154	1.7
212.07085	1.8
212.10738	0.9
214.08603	1.4
216.06445	0.5
216.10237	1.5
217.05032	0.8
217.11104	0.4
226.08652	2.4
227.09389	1.1
228.10214	3.5
230.08165	0.5
232.06055	1.0
232.09721	0.5
238.08591	1.9
240.10231	1.2
242.08165	1.0
243.08771	0.5
244.09657	4.1
249.13742	0.7
250.08560	0.7
254.08090	2.2
255.08614	0.5
256.09723	4.6
258.11206	0.5
260.13022	0.6
264.10208	1.0
266.08020	2.0
268.09912	2.0
270.11072	0.4
271.60526	0.6
272.09235	1.6
273.09921	3.3
274.10712	2.0
276.12344	0.7
277.13260	1.2
278.08072	0.6
280.09818	0.5
282.07663	1.3
282.11365	0.5
283.15442	3.9
284.09277	1.1
286.10876	0.9
287.11511	2.6
288.12207	2.5
292.06116	0.5
292.09750	0.7
294.07584	2.4
296.09189	1.2
298.10706	0.9
300.08618	0.8
304.12006	2.3
305.12491	2.1
306.10071	0.6
306.13327	9.5
306.63739	0.5
310.10760	0.6
312.08652	1.2
314.10159	3.2
320.05670	0.5
320.09146	0.9
324.08737	0.7
326.10168	0.8
332.11459	0.9
334.07263	0.5
338.06683	0.6
338.10336	0.9
348.08505	0.6
352.08212	1.8
356.11209	0.5
364.08340	0.5
366.09653	0.8
370.20267	0.5
384.10806	0.6
394.09396	1.1
412.10425	1.7
430.11490	0.7
444.12970	2.8
448.12494	1.0
456.70645	0.6
462.13940	6.9
467.17722	1.9
468.18686	3.5
480.15036	15.0
624.19104	2.9
642.20264	100.0
643.20813	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	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33389	0.3
50.79465	0.3
55.05470	0.7
67.05441	1.5
69.74628	1.0
69.75040	0.8
71.04955	0.3
79.05437	1.0
81.06981	1.2
83.08593	0.4
83.80238	0.3
91.05459	0.6
93.07009	0.6
95.04892	0.4
95.08539	0.9
98.20726	0.3
105.06973	0.4
107.08539	0.7
109.10078	0.6
110.86077	0.3
119.08529	0.6
121.10019	0.4
135.11626	0.4
135.59338	0.3
148.17273	0.3
155.79031	0.3
169.43817	0.3
207.49809	0.3
210.71878	0.3
246.54100	0.3
267.16171	0.3
275.20251	0.5
296.22391	0.4
374.59192	0.3
384.12027	0.4
396.12415	1.0
397.12909	2.2
398.13696	1.0
399.14789	0.4
409.13199	0.8
410.13837	2.9
411.14572	5.5
412.15259	4.0
413.16000	2.5
416.25507	0.3
423.15186	1.6
424.11197	1.2
424.16217	2.3
425.16241	12.2
426.16919	8.6
427.17892	2.2
428.18750	1.7
437.11780	0.5
437.16895	0.6
438.12201	3.4
439.13577	14.4
440.19052	5.1
441.19315	37.4
442.19339	1.0
451.18158	0.8
452.14410	4.3
453.15350	16.3
454.16095	4.3
457.15057	1.0
458.15549	0.5
459.20297	0.6
463.14041	1.2
465.15533	0.9
466.11987	0.7
466.16895	0.5
467.17126	26.7
468.17950	13.3
469.18881	11.4
470.19699	0.4
471.16687	1.3
472.17416	0.6
478.16418	0.5
480.17007	1.1
481.14676	12.8
482.15424	3.0
483.16309	0.5
485.18805	1.5
486.18991	0.7
487.19525	0.4
494.16827	0.9
495.16754	2.5
495.21896	0.4
496.17160	15.0
497.18115	1.6
498.19357	0.6
499.16071	1.0
499.19995	1.0
508.19629	1.0
509.18216	3.0
512.20691	1.3
513.21515	0.3
514.23132	2.0
522.17865	0.5
523.19586	1.5
525.17938	0.4
526.18304	0.6
526.71082	0.4
527.23712	2.5
528.24298	0.4
533.39288	0.4
537.19519	0.9
540.20123	0.7
542.21838	1.0
545.24438	0.5
551.19232	0.6
555.22418	32.1
556.22284	1.0
568.18994	0.7
583.21924	100.0
584.22400	3.1
586.78064	0.4
587.25165	2.4
611.21503	1.9
614.24084	0.4
615.24518	13.2
625.43817	0.5
643.23944	66.3
643.41644	2.3
644.24408	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	643.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.6
57.03407	0.6
57.05451	0.4
58.16399	0.4
58.99810	1.3
67.05468	0.9
69.07023	1.0
69.44572	3.3
72.16146	0.5
72.79784	0.4
77.00905	7.7
77.54646	0.4
79.05488	2.4
81.06993	0.7
91.05409	1.3
93.06974	1.9
95.01952	7.2
95.04917	0.7
95.08535	1.1
97.06493	0.6
98.20778	0.7
105.06982	1.0
107.08536	1.2
109.10052	0.6
115.02374	0.4
119.08497	1.5
121.10102	0.5
129.03841	0.5
131.01845	0.6
131.08527	0.6
133.03363	0.4
133.10030	0.8
138.22501	0.4
141.03973	0.6
145.10112	0.8
147.04985	0.6
147.11696	0.5
153.03957	0.8
155.05466	1.0
159.05052	1.0
159.11578	0.6
161.06606	0.6
169.07034	0.9
171.05045	1.9
173.06519	1.7
173.07849	0.4
179.05630	0.4
181.07045	0.6
183.04921	0.7
183.08658	0.8
185.06546	0.7
187.08173	2.3
189.09703	0.5
193.07074	0.4
194.04254	0.5
195.08524	0.7
197.06371	0.5
197.10133	0.8
199.08044	1.4
201.05923	0.4
201.09723	3.9
203.07515	0.5
203.09204	0.7
203.11017	0.5
205.07393	0.4
205.09087	2.0
205.10841	0.6
207.05031	3.2
207.08577	0.7
209.06508	0.9
209.10168	1.1
211.08041	0.8
211.11734	0.6
213.09666	1.8
215.03256	0.5
215.11279	4.9
217.10670	1.1
217.12672	0.7
219.10684	3.9
219.12334	0.4
221.06483	1.5
221.10197	0.9
223.11731	1.6
225.06023	1.5
225.09663	1.5
227.11244	6.1
229.12817	1.9
233.12276	1.7
233.15891	0.6
235.08264	0.5
235.11778	1.7
237.13359	2.5
238.13039	0.5
239.07617	1.0
239.11227	1.9
241.12819	5.9
243.10695	0.8
245.10101	0.8
245.12215	4.1
247.08128	0.7
247.13890	0.9
249.13245	1.2
251.11336	1.1
251.14775	0.6
253.12820	3.4
255.14307	2.3
257.12283	2.0
259.13782	2.7
261.13330	0.9
263.11230	2.3
263.14752	0.8
264.12064	2.4
265.12915	1.1
267.10507	0.5
267.14267	2.0
269.12457	0.4
269.15930	1.1
271.13800	2.0
273.13306	0.5
273.16879	0.6
277.12827	0.8
277.16376	1.0
281.12296	3.1
281.15308	0.5
282.13028	1.8
283.13928	2.0
285.15341	0.7
289.16498	1.4
291.14389	2.3
291.17953	1.7
293.15759	0.6
297.16812	0.9
299.13428	1.1
303.17987	1.4
307.21085	0.5
309.15390	3.5
309.19125	1.8
313.16379	1.7
315.18042	24.4
316.18167	0.6
325.22238	0.5
332.17300	0.5
333.19095	96.9
334.19180	2.4
347.20465	0.5
351.20163	100.0
352.20407	1.9
356.20740	5.9
367.17761	0.6
369.21219	2.0
374.21790	10.1
375.21835	0.5
409.24591	0.5
522.40027	0.6
574.33203	0.6
607.38293	0.7
625.39630	7.5
643.40570	45.5
644.40704	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	643.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22642	1.0
55.05486	1.3
57.03391	1.0
58.99838	1.6
61.02887	0.8
67.05456	2.8
67.57296	0.7
69.07021	2.4
72.76424	0.7
73.02872	0.8
77.00898	5.1
78.75841	0.7
79.05451	2.6
81.03368	1.3
81.06996	2.6
83.08582	1.4
91.05411	2.4
93.06989	2.5
95.01935	5.6
95.04938	1.1
95.08542	2.0
97.06419	0.8
105.06979	2.0
105.24802	0.7
107.08536	1.8
109.10112	1.8
114.22858	0.7
119.08531	2.6
121.10129	0.8
131.01848	2.2
131.08528	1.3
133.10081	2.0
135.07950	1.0
143.08537	1.0
145.10085	1.4
169.03448	1.0
173.06589	1.7
181.03354	0.7
182.04211	0.9
185.06540	1.3
187.04427	0.9
187.08051	1.8
191.07626	1.1
195.08774	0.9
199.07985	1.0
201.09735	4.1
205.09267	1.6
207.05022	1.3
209.06535	1.2
209.10123	1.2
212.05498	0.9
213.09666	2.6
215.11237	4.0
219.10854	3.6
221.06602	1.1
223.08174	4.6
223.11682	1.1
224.08876	3.5
225.06117	0.9
225.09630	2.8
227.11253	4.7
229.07297	1.0
229.09329	1.1
229.12732	1.0
231.10753	3.3
233.12294	1.7
237.13672	0.9
239.11209	2.1
241.09222	16.8
241.12871	2.8
242.10017	7.5
243.10785	3.7
245.12299	2.9
247.10413	0.8
256.11420	1.4
257.12305	3.2
259.10297	4.4
260.11032	2.8
264.10803	1.2
265.11972	1.1
269.12256	1.2
269.16034	0.8
274.09122	0.9
274.12494	0.8
275.20081	1.0
281.12329	1.1
283.13739	1.4
285.24234	1.9
287.18402	1.0
303.17871	1.6
309.19147	0.9
313.16473	1.6
315.18005	13.6
316.17847	0.8
331.17526	2.4
333.19092	43.8
334.19489	1.8
335.20703	1.0
349.18549	5.9
351.20157	100.0
352.20630	3.6
353.21609	1.7
356.20755	5.1
369.21216	3.3
374.21817	13.6
375.22269	1.4
458.07999	1.0
548.32117	1.1
570.66846	0.8
625.39441	6.6
643.40527	45.3
644.40332	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	644.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02954	0.2
53.03947	0.9
55.01871	1.0
55.05510	4.6
57.03436	5.0
59.05005	0.4
61.02925	7.7
67.05502	6.8
69.03422	2.1
69.07062	2.5
69.08879	0.3
69.67922	1.2
70.06593	0.9
71.04979	1.8
73.02921	3.1
78.35497	0.2
79.05489	7.7
79.05927	0.5
81.03416	32.0
81.07053	8.7
82.03752	0.3
83.04980	6.8
83.08618	11.5
84.08162	0.3
85.02904	16.0
85.06554	0.8
87.04495	0.5
91.03954	7.3
91.05479	9.7
93.07045	5.2
95.04966	10.7
95.08608	3.3
97.02890	5.2
97.06538	1.4
97.10174	1.0
98.21503	0.5
99.04449	0.6
99.08102	0.3
105.07032	7.3
107.04951	2.8
107.08578	2.5
109.06515	2.0
109.10162	1.1
111.04445	1.3
111.08086	6.2
113.05979	0.9
115.03947	0.5
115.05486	0.5
117.07014	0.8
119.04916	0.5
119.08579	7.0
120.08083	0.3
121.06529	0.8
121.10131	3.6
123.08070	0.9
123.11730	0.8
125.06026	0.3
125.09655	0.6
127.03926	2.7
127.07505	0.4
129.07008	4.3
129.10265	0.3
131.08572	4.9
133.06471	1.3
133.10127	4.4
137.09631	0.9
141.05566	0.3
142.07793	0.9
145.04990	3.1
145.10106	0.6
147.08061	1.2
147.11684	6.8
149.09605	3.2
151.11053	0.3
157.08821	0.3
157.10123	7.1
163.06006	5.1
163.11200	0.4
165.12778	2.1
175.11177	9.0
176.11540	0.3
177.60587	0.3
183.13589	0.2
184.22528	0.2
193.12242	36.0
194.12657	0.7
211.13284	31.1
212.13643	0.5
229.14359	1.3
244.31516	0.3
267.15918	15.5
268.16382	0.8
285.16953	100.0
286.17316	2.1
297.45242	0.3
303.18002	0.8
411.20334	0.4
429.20978	2.0
436.66653	0.3
447.22321	0.5
644.20667	0.8
651.22888	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	644.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05223	0.7
52.21146	0.5
53.03942	1.1
54.25783	0.6
55.01854	0.7
55.05508	4.5
57.03429	5.6
61.02924	6.8
67.05502	6.6
69.03416	1.4
69.07068	1.6
70.06570	0.6
70.78658	1.3
71.04984	2.1
73.02906	2.1
79.05083	0.8
79.05491	7.7
81.03417	26.8
81.07056	9.6
83.04989	5.2
83.08619	9.2
85.02901	17.9
85.06548	1.6
86.09697	0.6
91.03961	5.4
91.05482	10.4
93.07051	5.4
95.04389	0.9
95.04961	11.4
95.08610	2.8
97.02890	4.8
97.06532	1.3
97.10166	0.9
99.68779	0.6
100.53294	0.5
105.07024	8.0
107.04939	2.3
107.08576	1.7
109.06492	1.7
109.10103	1.0
111.04448	1.0
111.08060	4.4
113.05965	0.9
119.04921	0.7
119.08585	7.4
121.10152	3.7
123.08044	1.2
127.03902	2.1
129.07027	4.1
131.08577	5.0
133.06473	1.1
133.10117	4.5
137.09616	0.8
142.07774	1.4
145.04965	1.7
147.08057	1.3
147.11678	6.5
149.09624	3.3
157.10129	5.5
163.06010	2.7
165.12785	1.5
175.11145	6.5
185.24065	0.7
193.10460	1.1
193.12239	22.4
211.13281	18.2
252.25229	0.6
267.15881	6.5
285.16949	100.0
286.17258	1.9
301.02991	0.6
411.20438	0.8
429.21100	2.7
447.22348	2.5
504.59427	0.7
521.40546	0.6
603.59375	0.7
644.23480	0.8
663.77612	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	645.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44793	1.2
55.01875	9.6
55.05514	1.9
56.05024	1.5
56.96556	2.2
57.03422	2.2
65.03939	4.2
67.05486	3.2
68.81859	1.3
69.03416	5.9
69.07065	3.3
70.06591	13.5
71.49373	2.3
72.08148	4.0
77.03970	1.4
79.05495	8.8
81.03404	4.7
81.07038	4.1
83.04973	2.6
84.04492	3.2
84.08121	5.2
85.02917	8.0
85.03324	1.3
86.09705	8.6
91.05485	12.2
93.07053	2.3
95.04954	7.1
95.08591	2.0
97.02893	2.8
97.06529	10.1
98.97595	1.3
99.32424	1.2
99.56130	1.5
103.05470	8.0
105.07026	5.4
107.04963	12.4
107.08611	2.1
109.06506	2.9
109.10114	3.0
110.03640	2.2
110.07140	1.6
111.04456	2.7
115.05432	7.4
116.06214	2.2
117.07014	8.1
118.68122	1.3
119.04928	2.2
119.08575	3.3
120.08093	4.6
121.06469	5.1
121.10176	2.0
121.23609	1.3
123.04423	4.6
124.05208	2.9
125.05956	2.2
128.06238	9.9
129.07011	25.0
129.10205	4.8
131.04938	9.4
131.08548	10.0
132.05690	2.1
133.02844	2.0
133.06473	3.6
133.10083	2.1
135.04378	1.7
137.05995	7.7
139.03900	3.1
140.04649	2.4
141.06975	7.0
142.02391	1.5
142.04172	2.5
142.07788	1.6
143.04913	3.7
143.08571	2.3
144.05725	8.6
145.06496	22.6
146.07254	5.1
147.04382	4.8
147.05537	4.7
148.05176	3.1
149.05920	3.7
151.03943	3.0
151.07542	2.6
153.05441	5.0
155.06010	3.3
155.07109	2.0
156.05666	10.9
157.06525	11.4
158.07286	11.6
159.04379	3.8
159.08055	16.8
160.05153	2.2
161.05968	5.1
161.09560	2.8
163.03886	4.9
163.07542	5.4
165.05455	5.5
165.06883	2.1
167.07047	38.8
169.06483	4.2
170.07259	3.3
171.06512	2.7
171.08014	3.4
172.08829	2.0
173.05966	15.3
174.06754	23.1
175.07565	8.2
177.05452	11.7
179.07001	2.0
180.07841	1.6
181.04951	56.3
181.06554	3.1
181.08542	2.9
183.06557	1.7
184.05228	2.0
185.05959	6.3
186.06787	6.8
187.07526	19.9
188.04761	2.1
188.08266	2.1
189.05507	2.2
189.09085	33.5
190.06296	7.8
191.07030	28.2
191.10660	3.3
198.06754	2.8
199.07520	4.5
200.08284	3.1
201.05443	5.9
201.09111	7.5
202.06224	10.7
202.07838	1.8
203.07001	7.7
203.08673	2.7
204.07811	3.4
205.06584	2.0
205.08583	17.6
205.10341	2.0
207.06473	3.5
207.09970	2.0
208.07266	4.1
209.08051	8.0
211.07498	2.9
215.06964	7.5
216.07811	6.1
217.08598	59.7
218.07338	2.2
219.08041	8.2
219.10170	11.3
220.08794	2.8
221.06091	2.0
221.08061	3.6
225.07564	6.2
229.08643	6.4
230.09369	3.0
231.08113	2.6
231.10153	2.8
233.09813	3.0
235.07462	2.5
235.09590	28.8
236.08301	2.8
244.00313	1.6
245.09505	1.6
247.07483	6.0
247.09656	28.8
248.08228	3.8
248.10469	2.0
249.05365	1.7
249.09070	1.8
249.11279	5.9
250.06339	2.1
255.11090	2.1
257.10339	1.8
259.09677	5.1
261.08875	2.6
262.09982	1.8
263.07141	3.4
263.10681	4.4
264.07803	6.2
265.08502	2.2
269.08087	2.8
271.09985	2.3
275.07028	3.3
276.07800	6.1
277.08505	2.4
279.10229	5.3
281.07968	2.2
282.08786	3.4
285.12350	1.7
290.09439	3.4
291.10098	5.0
291.12747	1.7
292.07410	2.9
293.08109	5.6
303.13330	2.0
305.08203	2.3
305.11655	2.1
306.08606	1.9
307.09592	4.9
308.10382	3.5
309.11301	1.4
311.12631	2.7
313.10791	1.9
315.08627	12.6
319.09668	3.7
321.07596	1.5
323.09125	2.1
323.12827	4.0
330.10922	17.1
331.11517	3.2
336.09860	1.7
337.10641	4.5
339.12262	8.2
343.11804	3.7
351.12262	10.3
353.10107	5.5
356.12503	1.9
368.12613	6.5
369.13248	7.0
371.15079	8.2
383.14890	56.8
387.14133	1.9
399.14069	2.1
401.15744	9.2
411.14465	3.0
419.16409	2.1
441.15466	81.9
443.16769	4.3
473.18103	100.0
483.17538	1.9
644.77533	1.6
645.26746	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	645.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
53.26822	3.7
55.01855	4.4
55.05499	12.1
59.17019	4.1
65.72800	3.4
67.05496	22.8
69.03410	6.0
69.07079	20.8
71.49697	5.9
78.22443	4.4
79.05492	27.2
81.03402	13.7
81.07051	17.0
83.04976	9.0
83.08583	3.6
91.05461	18.9
93.07061	19.1
95.04961	14.6
95.08588	14.6
97.06503	11.1
105.07042	19.1
107.04944	21.6
107.08614	21.6
107.09224	4.1
109.06525	6.4
111.08069	4.8
117.07012	9.6
119.08573	14.2
121.06513	10.2
121.10136	12.5
123.08047	7.7
125.09621	5.5
131.08546	11.3
133.02823	9.3
133.06525	5.6
133.10097	8.3
133.68295	3.8
135.08049	7.4
137.09561	4.4
142.07758	3.5
142.21921	4.1
143.08522	6.7
144.09373	5.4
145.10117	7.1
147.08110	8.2
149.09581	17.0
157.10118	5.0
159.11765	9.3
161.02344	12.4
161.09625	5.2
163.03897	11.0
171.04507	4.4
171.11691	6.3
173.02303	11.3
179.03397	6.9
185.09644	5.5
187.04044	4.7
189.12756	4.6
263.16446	10.6
273.18573	10.3
273.88394	3.8
275.19998	10.4
291.19592	5.0
292.20230	13.3
415.57309	4.8
417.20227	4.3
435.21658	100.0
453.22784	46.1
645.36322	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	647.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.3
55.05470	0.3
56.33906	0.3
58.99830	0.5
66.98624	0.2
67.05427	1.7
67.64338	0.2
69.06996	0.7
69.73785	0.5
69.74194	1.1
77.00830	3.1
79.05403	0.9
79.05796	0.2
81.03373	0.3
81.06976	1.2
83.04907	0.5
83.08537	0.7
83.96421	0.2
85.02847	0.5
85.06471	0.3
86.28742	0.3
91.05401	1.1
93.07034	1.1
95.01956	2.6
95.04881	0.7
95.08601	1.5
97.06448	0.9
97.10072	0.7
98.21518	0.3
105.07049	1.2
107.04904	0.3
107.08509	0.9
109.06407	0.4
109.10060	1.0
115.02340	0.4
119.08484	0.7
121.10068	0.8
123.07998	0.5
125.09557	0.4
129.03926	0.3
129.06927	0.4
131.01791	0.3
131.08475	0.6
133.10028	0.7
137.09561	0.5
141.03824	0.3
142.86780	0.2
143.08537	0.3
145.09998	0.6
147.07974	0.4
147.11560	0.5
149.09552	0.3
151.07504	0.4
155.05399	0.3
157.10091	0.5
159.04956	0.5
161.06494	0.4
161.09499	0.3
163.03882	0.4
165.08978	0.4
167.10641	0.4
167.75253	0.2
169.07121	0.5
171.05008	0.6
173.06448	0.8
173.13107	0.3
181.06912	0.2
181.12244	0.3
183.08592	0.4
185.06540	0.4
185.10098	0.3
187.08159	1.7
187.11575	0.3
191.07541	0.5
191.11142	0.3
195.08688	0.3
197.10233	0.5
199.08089	0.4
201.09712	3.2
203.09311	0.4
203.11189	1.4
205.09143	0.9
205.12764	0.6
207.04950	0.6
207.08556	0.5
209.06491	0.3
209.10138	0.7
211.11606	0.5
213.09581	1.0
215.11275	2.9
217.10738	0.6
217.12630	0.4
219.10699	2.3
221.10150	0.3
221.15280	0.5
223.11813	0.3
224.11151	0.3
225.09599	0.3
225.13234	0.7
227.11179	2.0
227.14813	0.3
229.12885	1.1
233.12184	0.8
235.11736	0.6
237.13318	0.3
239.11348	1.2
241.12863	1.5
243.14363	2.1
245.12233	1.5
245.15958	0.4
247.11601	0.2
249.09685	0.4
251.11247	0.5
251.14742	0.5
253.12801	1.3
253.16373	0.4
255.14508	0.6
257.12253	1.0
257.15924	0.4
259.13660	0.6
261.13470	0.5
265.12750	1.0
269.12219	0.7
271.13852	1.0
271.17462	1.0
275.20151	0.3
276.14401	0.3
279.14395	1.7
279.17419	0.4
283.13773	1.0
285.10052	0.3
293.15720	0.3
293.19415	0.4
297.15445	1.3
297.18863	0.4
299.18073	0.4
307.21042	0.5
309.19016	0.3
309.22565	0.3
311.20837	0.6
315.17798	0.4
317.19632	6.2
325.22061	0.4
327.23755	0.4
335.20651	41.3
336.21048	1.3
353.21732	100.0
354.22067	1.9
355.21817	0.5
358.22278	4.0
367.23193	0.5
371.22806	1.3
376.23343	10.4
377.23340	0.6
547.34613	0.5
611.41418	0.8
620.14551	0.3
629.42633	4.6
647.43744	29.8
648.43884	0.7
667.12097	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	647.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.7
55.05507	1.7
67.05509	3.2
69.03412	0.9
69.07057	1.6
69.42811	4.3
75.53484	0.5
77.00906	2.4
78.18152	0.5
79.05509	2.9
80.64815	0.5
81.03394	0.8
81.07052	3.5
83.04966	1.1
83.08604	0.9
91.05476	2.1
93.07043	3.0
95.01937	2.1
95.04971	2.0
95.08607	2.7
97.06519	1.6
97.10148	0.7
98.21593	0.9
105.07027	3.1
107.08575	2.0
109.06535	0.9
109.10149	1.7
111.08118	0.8
112.45978	0.6
117.06985	0.9
119.08568	2.7
121.10139	2.3
123.08072	1.2
131.01923	3.2
131.08539	1.6
133.10150	1.6
135.08011	0.8
141.03944	0.7
143.08565	1.4
145.03459	0.6
145.10118	2.1
147.11655	0.9
149.02983	1.5
153.12729	0.6
156.09331	0.7
157.10258	0.5
159.05070	1.0
159.08099	0.9
161.09642	0.8
163.11212	0.9
165.09074	0.8
167.05544	0.7
167.10715	1.3
169.03471	2.6
169.10141	1.1
171.05046	0.8
172.76317	0.5
173.06581	0.5
173.09668	0.7
173.13249	0.7
174.03737	1.0
175.14763	0.6
181.12239	1.2
182.04250	1.8
185.06604	1.5
186.07413	1.1
187.04448	1.0
195.05066	1.9
196.05792	0.8
197.10294	0.7
200.05298	1.1
201.09720	2.5
203.11127	0.6
204.08501	1.2
205.07129	1.1
205.09093	0.6
211.08221	0.7
212.05327	0.9
213.09727	2.5
214.06819	1.1
215.11317	4.8
219.10793	2.4
221.15475	0.7
223.08133	7.9
224.08929	7.2
225.09653	1.9
227.11177	1.4
229.09294	1.0
229.12872	2.2
231.10742	2.8
233.12251	0.6
237.09891	0.7
238.06857	0.9
241.09221	33.5
242.10002	16.9
242.12544	0.9
243.10789	5.6
243.14438	2.7
247.10611	1.6
256.07928	0.9
257.12302	0.9
259.10251	8.9
260.11075	7.7
264.10739	2.9
265.11880	0.8
269.12515	0.7
271.17581	2.4
274.08902	0.8
279.14450	4.1
283.13818	0.6
293.16272	0.6
293.19611	1.6
297.15570	3.8
297.18643	1.0
307.21060	0.9
311.20471	1.0
317.19635	5.7
327.23761	0.9
335.20651	29.5
335.24753	1.4
336.20972	1.0
353.21744	100.0
354.21829	2.9
358.22250	3.5
369.19568	1.0
370.20248	0.8
370.25558	0.6
371.23010	1.1
376.23355	13.4
429.26065	0.8
485.28839	0.7
552.56952	0.6
629.42651	6.8
645.68475	0.6
647.33759	40.5
647.43573	73.5
648.34344	3.3
648.44019	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	648.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.5
67.05492	11.0
69.03431	54.4
69.07072	7.4
71.49713	4.3
77.22031	3.3
79.05474	6.5
79.27104	2.8
81.03394	3.4
81.07049	14.7
83.04988	4.2
83.08643	3.0
85.06533	3.7
91.05502	5.7
93.07043	10.5
95.04988	3.0
95.08614	13.9
105.07033	10.9
105.46027	2.6
107.08601	14.5
109.06501	7.0
109.10157	5.8
111.08112	4.8
117.07016	4.5
119.08582	5.9
121.10152	14.9
123.08057	4.0
123.11702	7.5
123.68404	2.8
125.09653	21.2
126.86997	3.0
131.08563	11.2
133.10130	8.0
135.08067	13.7
135.11684	8.8
145.10114	8.2
147.11641	3.2
149.09615	5.6
153.09146	9.2
158.10899	5.4
163.11227	2.8
163.14873	5.1
164.33382	3.1
173.13277	23.6
191.14304	87.6
209.15364	100.0
369.23798	3.3
387.25012	3.6
400.92279	3.3
515.07068	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	649.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39246	0.2
65.79416	0.2
69.03429	0.5
71.48911	0.2
81.03433	0.3
85.02905	0.8
97.02889	0.3
107.04934	0.4
109.02905	0.4
119.64783	0.3
127.03925	0.2
133.10118	0.2
146.02605	0.2
158.18414	0.3
165.05544	0.7
169.49913	0.2
172.03999	0.3
173.02832	0.3
174.35750	0.2
184.07643	0.4
185.04179	0.5
202.08705	0.4
203.05336	1.0
203.75681	0.2
214.08682	0.3
227.11931	0.4
229.09706	0.4
232.14008	0.2
245.12917	0.7
253.09966	0.2
259.05566	0.3
259.07794	1.3
264.06674	0.8
264.10208	0.5
271.10919	0.4
285.12332	0.3
307.10956	0.4
307.14691	0.6
313.01587	0.2
325.15967	1.9
347.09543	0.8
349.11890	0.6
365.10568	2.7
367.12781	0.8
367.16818	0.4
377.45361	0.3
385.13751	0.3
417.16522	0.3
419.15991	0.4
421.13116	1.1
427.18707	1.0
437.17285	1.0
451.18579	0.4
455.18042	0.5
469.19702	1.3
470.18271	0.3
487.21399	21.3
488.21863	0.3
589.23877	0.8
634.80670	0.2
649.26727	100.0
650.09222	0.3
650.27313	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	649.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06811	0.2
60.50961	0.2
68.00320	0.2
69.03430	0.6
70.06593	1.0
70.61974	0.2
70.62308	0.7
72.08179	0.3
74.09288	0.2
84.04523	0.4
84.08137	0.5
85.02908	0.7
86.09705	0.9
88.71191	0.3
91.05462	0.3
91.42271	0.2
95.05013	0.3
97.02955	0.4
101.97520	0.2
107.04921	0.3
109.02879	0.2
116.07097	0.4
120.08118	0.5
129.10228	0.3
133.03470	0.3
136.07555	0.2
145.05070	0.3
165.05502	1.0
167.07040	0.3
172.03983	0.2
184.11220	0.2
185.04239	0.5
190.05019	0.3
225.61681	0.2
227.11920	0.3
228.22546	0.2
235.10770	0.4
245.12917	0.6
254.09160	0.2
259.07870	0.6
264.06766	0.8
269.12393	0.8
271.10980	0.4
307.10913	0.3
325.16156	2.4
347.09570	1.0
349.11896	0.4
367.13007	0.8
385.13766	0.3
419.16385	0.5
427.18738	0.5
437.17230	0.4
455.17499	0.3
469.19901	0.8
470.18103	0.3
487.21469	25.9
488.21780	0.3
518.35632	0.2
589.24170	0.5
619.35217	0.3
649.26740	100.0
650.27435	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.0
55.05497	8.6
57.07074	3.0
59.04981	4.2
62.06394	2.3
67.05499	21.9
69.03427	5.7
69.07066	5.7
70.75726	4.2
70.76048	4.6
79.05490	23.9
81.03400	16.9
81.07056	22.9
83.04972	5.6
83.08614	3.8
91.05476	18.3
93.07034	18.8
95.04962	28.9
95.08588	10.7
95.09115	2.6
97.02893	6.3
97.10149	3.1
103.05451	7.3
105.07043	13.9
107.04956	100.0
107.08560	4.6
107.51157	2.7
109.02878	52.0
109.06499	7.3
109.10127	8.4
111.08073	3.3
117.07004	6.0
119.08576	8.8
121.06492	13.9
121.10148	4.4
123.04414	6.0
123.08093	3.2
123.11744	4.8
125.02331	7.2
125.06030	2.9
127.03877	4.7
129.06996	3.0
131.04929	4.9
131.08537	7.5
133.10075	5.1
135.04384	3.2
135.08006	2.4
135.11707	6.9
137.06032	3.9
139.03867	14.5
143.08542	5.9
145.10106	4.9
147.11703	3.7
149.05965	16.6
151.03922	24.5
153.05443	5.6
157.10097	4.0
159.04449	3.9
159.11751	5.1
165.05484	67.1
167.07071	19.7
177.05486	35.4
191.37027	2.4
195.06540	23.8
208.18588	2.6
209.08099	34.1
225.06947	3.0
227.09184	12.8
233.54221	2.5
274.82675	2.4
331.26614	3.4
442.29388	3.0
500.40503	2.7
649.43237	10.7
672.91339	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	650.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
54.14117	0.4
55.01872	2.9
55.05515	5.4
56.05029	0.4
57.03431	1.5
58.99589	3.3
59.04991	1.3
61.02934	0.4
65.03930	1.0
67.05505	17.0
68.05029	0.7
68.63822	0.4
69.03432	2.5
69.07067	5.0
70.02960	0.8
71.01350	0.6
71.04977	1.4
71.49532	0.6
73.02902	1.2
74.00664	3.1
76.02229	8.4
76.04008	0.9
78.82810	0.4
79.05034	0.5
79.05493	8.1
80.05017	1.1
81.03413	3.5
81.07056	7.8
82.06588	0.6
83.04979	1.7
83.06126	1.9
83.08621	2.9
84.04501	7.4
85.01124	0.9
85.02903	3.2
85.04027	0.4
85.06552	1.0
86.00648	1.1
86.99045	1.2
87.04436	0.6
88.02216	0.5
91.05475	8.9
93.07048	8.6
94.06557	1.5
95.04967	9.5
95.08604	10.1
97.01119	1.5
97.02885	1.6
97.06518	2.7
97.10153	2.4
98.00636	1.3
99.01431	1.4
99.02670	0.8
99.04393	0.5
99.05550	0.7
102.05515	0.7
103.03924	0.6
103.05471	2.1
105.07037	5.6
105.76362	0.4
106.06566	0.5
107.04952	24.3
107.07362	0.7
107.08603	3.2
108.04446	0.4
108.08131	1.0
109.02879	4.4
109.06517	18.7
109.10155	11.3
110.99001	0.5
111.02682	1.1
111.04397	0.7
111.08044	0.9
112.02192	9.1
114.03750	2.2
115.05479	0.6
116.01682	5.3
117.07004	2.3
118.06540	1.0
119.04945	1.3
119.08585	4.8
120.08096	1.4
121.06494	3.3
121.10151	1.9
122.09670	2.5
122.10395	0.5
123.02619	1.1
123.04436	1.4
123.08039	3.5
124.02175	1.7
125.02348	1.1
125.04246	0.5
125.09604	3.5
126.03738	0.6
127.03931	1.6
129.06653	1.3
129.06955	1.4
130.04996	3.1
131.04893	0.5
131.08583	2.0
132.08109	1.3
133.06479	1.8
133.08868	1.5
133.10121	2.4
134.09671	0.6
135.02718	0.8
135.04439	1.1
135.08075	1.2
135.11687	0.7
136.02200	0.7
136.03961	0.6
137.00540	0.9
137.03079	0.8
137.04228	2.2
137.05972	1.5
137.09621	2.4
138.03732	2.8
139.02159	0.5
139.03943	3.4
139.05736	1.6
139.07507	0.5
140.01656	1.7
140.05287	4.7
141.04788	1.0
142.03235	1.6
143.08580	1.2
143.10686	0.8
144.01129	0.9
145.06245	1.4
145.10126	1.8
147.02652	0.7
147.04420	1.1
147.08038	4.5
147.11696	0.7
148.11208	1.2
149.04263	1.3
149.05945	2.9
149.09628	1.7
149.13255	0.4
150.03737	0.7
151.03860	3.8
151.05774	0.7
151.07629	0.9
151.11217	0.6
152.01643	1.2
152.05324	0.6
153.06627	1.0
154.06830	0.5
155.03424	0.5
155.08267	0.7
155.10690	1.0
156.08400	0.7
157.10062	1.0
158.02620	0.8
158.09715	0.4
159.04404	0.6
159.08089	0.6
159.11697	0.8
161.04211	0.8
161.09628	1.2
162.02220	3.8
163.03867	0.8
163.05806	0.8
163.11198	1.0
165.03987	0.7
165.05478	17.2
166.06866	11.1
167.05283	1.8
167.07182	4.1
167.10721	0.6
168.08426	1.9
169.04327	3.6
169.05905	1.0
169.10182	0.6
170.02737	0.8
171.11653	1.0
173.09644	1.3
173.11739	5.8
173.13176	0.5
175.05856	0.4
175.11209	1.0
176.10858	0.5
177.03433	0.9
177.05495	4.0
179.04869	5.7
180.08400	1.0
181.06082	0.9
183.11687	0.9
185.03770	2.2
187.05426	1.5
187.11377	0.5
189.11177	0.6
191.06938	0.6
193.12260	1.7
195.06569	2.6
207.06503	1.2
209.08051	5.2
209.11603	0.6
211.13313	1.5
215.04846	14.4
222.09505	0.5
222.15024	0.5
223.09082	0.6
225.07565	1.3
225.16435	0.6
227.09114	2.1
227.12814	1.8
229.14336	1.9
231.04318	4.5
233.05923	3.3
233.10052	0.7
239.12572	0.6
243.17494	0.8
245.05936	0.6
245.13930	1.1
248.11000	2.2
250.12634	1.7
251.11053	1.2
256.09506	0.5
266.12143	3.8
267.08951	0.5
268.13733	0.8
269.09372	2.6
270.10162	0.7
271.16901	0.9
276.10745	0.7
278.12152	0.8
283.15393	1.6
286.10318	0.7
289.17944	6.9
291.19565	1.0
299.15005	1.3
303.14197	1.2
307.14545	0.6
308.09091	2.2
314.09854	3.2
320.16974	0.7
321.15134	2.2
325.15549	2.5
328.17383	0.7
329.15805	0.5
331.10077	0.5
332.10840	2.8
339.11868	0.5
346.18341	5.2
347.16791	1.0
364.19351	7.9
374.15143	0.5
382.15894	2.7
385.51599	0.4
398.15625	0.9
400.11783	1.0
400.17075	19.8
410.15399	0.9
418.18127	1.8
428.16516	0.7
434.12427	1.0
449.20941	2.6
453.24887	3.1
457.19183	2.6
467.22095	5.9
485.18649	3.8
503.19769	100.0
504.20221	0.8
521.22253	0.6
533.23187	0.9
575.21899	7.7
632.23730	0.7
650.24634	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	652.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14712	0.4
54.55006	0.4
55.01878	2.3
55.05516	3.4
56.05038	0.8
58.99585	4.0
59.04980	0.6
61.01143	0.7
64.30963	0.5
67.05502	7.7
69.03432	0.5
69.07064	3.4
69.23434	2.8
69.23869	2.0
71.08635	4.3
73.01154	0.6
74.00665	3.9
76.02230	9.6
76.04011	1.0
79.05485	3.6
80.05008	1.7
81.03406	1.1
81.07054	4.1
82.06580	0.6
83.04943	0.9
83.06107	2.2
83.08634	0.5
84.04506	6.9
85.01153	0.7
85.02931	0.8
85.06518	0.7
86.00648	0.8
86.99040	1.9
88.02222	0.5
88.23263	0.4
91.05499	3.4
93.07034	4.2
94.06576	0.6
95.04945	2.1
95.08604	5.9
96.04499	0.6
97.01111	1.7
97.06520	1.7
97.10173	1.2
98.00629	1.4
99.01395	0.6
99.04462	0.5
99.05592	0.6
99.08095	3.7
100.02199	1.0
102.03749	0.5
105.07005	1.8
106.06567	1.1
107.04961	3.8
107.08598	2.5
109.06561	0.8
109.07607	0.6
109.10165	4.7
111.02664	2.1
111.08056	0.6
112.02186	6.6
112.03976	0.7
113.00585	1.6
113.02949	1.3
114.03754	2.0
115.05811	0.5
116.01672	6.8
117.07043	1.4
119.08578	3.0
120.08114	0.7
121.06521	0.9
121.10097	1.1
123.02634	1.3
123.04453	0.6
123.08026	0.9
124.02177	0.9
124.11238	0.7
125.04209	0.9
126.03736	2.6
127.02138	0.8
129.05730	0.5
129.06680	2.3
130.04997	3.3
131.08568	1.6
133.06506	0.7
133.10120	1.2
134.09657	1.0
135.02623	0.8
135.08051	1.0
135.10411	1.1
136.02138	0.8
136.03931	0.4
136.11226	0.8
137.04216	1.7
137.09648	1.4
138.03705	0.6
139.02139	2.2
139.05763	1.6
140.01630	0.7
140.05240	0.5
141.03569	0.5
141.04753	0.6
141.07263	0.5
141.09070	0.6
142.03214	1.9
142.06848	1.8
143.05225	0.7
143.08553	0.9
144.01151	2.5
145.06119	1.0
145.10115	1.3
147.02603	0.7
147.08014	0.5
147.11708	0.8
149.04190	1.0
149.09642	3.1
150.12759	1.1
151.05777	0.8
151.11209	2.5
153.06531	0.9
154.09718	0.5
155.08215	0.8
158.09990	1.1
159.11592	0.9
161.09622	0.9
162.02214	4.4
163.05820	0.7
163.11180	1.4
165.03702	1.1
165.07401	0.6
167.10716	1.3
168.08421	13.1
169.06828	0.8
169.09145	10.1
170.02682	0.7
170.09961	4.8
171.11737	0.5
175.11212	0.8
177.03375	1.4
177.09053	0.6
177.12834	1.0
179.04898	4.8
181.06999	0.8
182.10014	0.9
184.11537	0.7
185.03793	3.4
187.05350	1.4
193.12233	0.8
203.08882	0.5
204.13890	0.5
207.08585	0.5
210.09547	0.5
215.04909	1.0
216.05627	0.7
220.11594	0.5
224.11116	0.6
229.14412	1.0
231.04381	4.8
233.05919	2.1
236.11034	0.5
245.06143	0.6
245.19112	0.5
248.11078	2.9
250.12595	3.2
251.11070	1.3
257.07516	0.5
266.12155	2.5
268.13702	2.0
271.11121	1.3
272.11929	0.8
273.18607	1.0
290.21069	0.5
291.19528	6.6
293.21158	0.9
305.15817	1.9
307.17307	0.5
308.09061	1.5
308.22162	0.7
320.20410	1.1
322.18414	1.3
323.16809	4.3
330.18887	1.3
348.19885	11.6
349.18347	1.3
356.18146	0.7
358.16037	0.7
366.20929	11.5
376.16925	0.6
384.17557	4.9
385.16119	0.5
402.18619	23.1
412.17075	1.2
420.19583	1.0
423.23627	0.6
430.17972	1.1
437.25476	0.5
451.22473	3.5
452.21063	0.7
459.20776	3.1
469.23706	8.4
487.20456	1.4
505.21323	100.0
506.21439	2.3
535.24725	0.7
577.23395	6.9
598.27777	1.1
634.25732	1.2
652.26697	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	652.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
53.03946	2.4
55.01872	3.2
55.05510	32.7
57.03207	1.0
57.03440	11.9
59.04991	1.2
61.02926	3.5
62.17151	0.7
65.03937	0.8
67.05503	23.1
69.03423	8.1
69.07065	9.7
69.44267	6.8
71.05002	3.9
73.02912	1.6
76.47227	0.8
79.05493	22.4
79.86539	0.7
81.03417	44.2
81.07053	21.1
83.04985	12.4
83.08620	29.3
83.08983	0.6
83.09129	0.8
85.02905	16.8
85.06557	2.4
91.03936	1.5
91.05482	19.6
93.07049	11.4
95.04964	16.0
95.08601	8.1
97.02876	4.1
97.06539	4.8
97.10169	41.8
97.20076	0.7
105.07030	14.2
107.04962	8.0
107.08590	16.5
109.02945	1.2
109.06528	3.9
109.10168	7.2
110.07036	1.0
111.04435	2.1
111.08057	8.7
113.15843	0.7
117.07002	2.4
119.08570	12.3
120.08105	1.0
121.06485	1.6
121.10146	5.5
123.08098	1.7
123.11685	1.1
125.09625	44.1
125.79135	0.7
127.03931	1.8
129.07022	7.0
131.08565	7.1
133.06502	1.7
133.10130	6.8
135.08060	4.9
135.11699	1.9
137.09639	1.7
140.22311	0.8
142.07738	1.7
143.10667	2.0
143.50191	1.0
145.10170	2.7
147.08067	2.9
147.11674	9.0
149.09621	3.6
151.03780	1.0
153.09117	2.8
157.10124	9.6
163.03882	1.0
163.11186	1.8
165.05467	1.1
165.12758	2.7
171.10172	2.6
173.09616	0.8
173.11848	1.0
175.11205	9.6
181.72037	1.0
189.09430	1.1
189.11215	28.4
193.12242	34.5
211.13289	60.7
227.12772	61.9
229.14401	2.8
245.13852	54.9
267.15939	19.0
283.15283	1.3
285.13727	1.4
285.16959	38.4
419.24411	6.3
437.25381	24.0
455.26401	100.0
456.26691	0.9
562.15314	0.9
652.39349	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	652.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01873	6.3
55.05516	6.9
57.03433	1.4
57.07081	0.6
57.65925	0.7
59.04982	0.6
65.03934	1.3
67.05507	15.6
69.03432	1.1
69.07070	18.2
71.04986	2.4
79.05493	19.6
81.03422	10.8
81.07056	13.2
83.04984	8.4
83.08600	2.6
85.02931	1.2
85.06512	1.5
91.05482	13.1
93.07041	19.3
95.04972	8.4
95.08604	12.9
96.57087	0.6
97.02839	0.8
97.06526	7.1
97.10166	2.5
99.04442	2.6
105.07028	9.8
107.04955	47.0
107.08589	11.0
109.02929	0.7
109.06491	2.2
109.10155	7.4
111.04436	5.6
111.08075	1.7
115.05486	0.7
117.07014	4.6
119.08586	11.2
121.06487	4.1
121.10146	7.0
123.08081	4.2
123.11708	0.7
125.09637	3.4
128.06187	0.7
129.07016	3.5
131.08574	7.9
133.06505	2.6
133.10118	5.6
133.25870	0.7
135.08054	10.8
135.11693	2.4
137.09605	4.9
139.11177	2.2
143.08607	3.8
145.10110	5.5
145.52377	0.6
147.08023	3.2
147.11685	2.0
149.09631	22.2
149.13264	1.7
151.07545	1.9
151.11136	1.1
153.09125	3.2
155.10619	1.1
157.10123	4.2
159.08064	0.8
159.11690	3.4
159.91635	0.7
161.09641	5.6
161.13266	0.8
163.11186	2.5
165.09061	1.5
167.10699	0.7
167.14343	1.6
169.10178	0.9
171.11700	1.8
173.11700	2.9
173.13187	1.1
175.11185	5.2
177.12721	1.9
179.10670	2.3
183.10165	1.2
185.13211	1.3
187.11128	0.8
189.11230	0.8
189.12782	1.7
193.12263	1.8
195.13762	3.6
203.10713	1.4
203.12738	2.1
217.12296	0.8
221.11784	1.2
223.13298	0.9
227.17947	1.5
235.13312	2.3
237.16380	0.7
241.14380	0.8
244.29936	0.6
245.19012	3.5
249.14828	0.9
255.17470	2.2
263.20081	3.6
273.18503	23.1
274.92645	0.7
275.19962	0.8
291.19543	100.0
292.19836	0.9
309.20578	8.5
563.36523	1.6
575.31256	0.7
581.38696	2.9
599.38635	1.5
652.23785	1.2
652.41681	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	654.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
56.96566	31.1
67.05491	2.1
67.24008	0.6
67.46808	0.7
69.03403	0.7
69.07051	2.9
69.44440	3.2
69.44871	2.6
71.95248	3.1
72.96028	1.0
74.97594	0.7
79.05482	1.8
81.03435	1.3
81.07056	1.4
84.96026	1.1
85.02892	0.7
86.26350	0.7
91.05491	1.3
93.07073	0.9
95.08624	1.8
97.06499	0.9
98.21504	1.5
98.97604	1.4
107.08566	0.9
110.97590	2.3
111.04404	0.9
116.98611	1.4
119.08581	0.8
123.01210	1.5
128.98619	5.4
133.01718	0.7
133.10060	0.7
134.99672	1.6
143.00166	0.9
146.99631	8.5
152.46727	0.8
155.03821	2.1
157.01755	1.2
161.01210	2.1
165.00732	2.0
165.02118	0.8
167.03870	1.5
169.01703	0.8
169.05429	1.2
171.03227	3.8
173.04878	1.5
175.02730	1.1
181.05360	1.5
183.03331	1.0
183.06792	0.8
185.04832	2.9
187.02763	1.3
187.06407	1.0
189.04332	3.7
195.03377	0.9
195.06911	0.9
199.06422	7.1
201.04277	1.4
201.07997	0.9
203.05934	5.8
205.07605	3.5
211.06400	4.6
213.08005	4.8
217.07483	16.7
219.08958	0.9
221.06876	1.8
223.02820	3.9
223.06543	0.9
223.08542	3.8
225.07962	3.6
227.09578	1.2
229.07462	8.7
231.08992	6.5
237.04318	2.5
237.07977	2.8
239.09442	4.2
241.03729	0.9
241.11060	0.9
243.09032	5.2
245.10623	2.6
247.08539	6.7
249.07950	1.5
251.09541	3.5
253.11099	3.7
254.10564	0.9
255.05211	1.0
255.09030	19.4
257.10571	2.4
261.10031	1.8
262.08969	0.9
265.11108	1.9
267.08975	6.3
269.10577	15.0
271.12195	2.5
273.10062	15.9
277.10898	1.1
278.10742	1.8
279.08975	2.4
279.12424	1.6
280.09720	6.3
281.10440	0.9
283.12070	0.9
285.10065	10.9
287.11661	6.3
289.11298	1.1
290.10428	0.9
291.12659	7.6
292.12186	2.4
295.12097	2.8
296.11624	1.0
297.10239	0.9
297.13596	1.0
298.10809	3.2
303.11227	2.5
303.16290	1.9
307.12183	2.9
307.15640	1.0
308.11819	1.3
309.13733	9.8
313.13672	1.2
321.17389	2.2
325.13217	2.7
327.15027	1.4
331.15781	19.1
332.15573	1.3
349.16852	100.0
350.17236	2.0
367.17920	77.6
368.18082	0.9
372.18451	6.7
385.19171	4.0
387.14603	1.1
390.19513	14.8
431.23907	0.7
556.29126	2.3
654.37036	6.8
655.22974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01858	9.4
55.05508	16.2
57.07077	5.3
62.93555	2.1
65.03935	2.5
67.05498	36.3
67.59129	2.1
69.07069	19.5
69.76363	13.6
71.04959	6.1
71.08626	18.5
71.99240	2.3
79.05489	29.7
81.03419	32.6
81.07050	33.5
83.04980	12.5
83.08596	6.8
85.06540	4.4
87.55506	2.2
91.05001	2.2
91.05482	23.0
93.07031	32.8
94.48714	2.3
95.04954	22.6
95.08605	33.1
97.06518	7.9
97.10161	4.3
98.20808	2.1
99.04451	5.4
99.08086	15.3
105.07013	15.9
107.04944	56.0
107.08603	17.0
109.06504	7.6
109.10149	18.8
111.04434	8.7
117.07021	9.9
119.08585	17.7
121.06490	6.5
121.10140	11.4
123.08047	6.3
125.09705	3.4
129.06978	5.1
131.08551	10.5
133.06479	5.5
133.10132	13.1
135.08046	12.7
137.09610	17.0
139.11124	4.2
142.37682	2.1
143.08583	5.6
145.10152	5.7
147.08035	4.4
147.11636	3.4
149.09616	29.0
149.13272	3.5
151.07582	3.2
151.10002	4.2
151.11177	52.7
155.10661	7.4
157.10100	6.1
159.11623	5.0
161.09590	9.1
163.11133	4.1
165.12657	3.9
171.11717	2.4
173.11722	5.7
175.11145	5.3
177.12714	10.5
179.10602	3.4
185.13307	2.7
189.12766	3.0
191.14412	2.8
193.12164	2.8
195.13771	13.4
199.11055	2.9
245.18924	5.0
247.20667	2.7
257.19009	5.3
263.19965	2.5
273.18478	25.7
275.20102	18.4
291.19522	100.0
293.21091	89.7
309.20547	9.4
311.22232	4.0
326.39087	2.7
565.39429	3.2
583.39545	6.4
601.40979	3.0
638.44977	2.5
654.25946	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	655.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	0.7
56.53203	0.4
56.96514	20.2
56.96818	1.5
67.05452	2.1
69.07020	0.9
70.20811	0.9
70.21232	1.4
71.95211	1.2
73.05064	0.5
74.97562	1.1
79.05433	1.3
81.03358	1.3
81.06985	1.6
83.04961	0.7
83.08574	0.5
84.95985	1.2
91.05423	1.6
93.06976	1.5
95.04922	0.7
95.08576	1.1
97.06482	0.7
98.97549	1.0
105.07030	5.1
107.04933	0.5
107.08554	1.1
109.10083	1.2
110.97510	0.9
115.97791	0.6
116.98562	0.6
117.06994	0.5
119.08523	1.1
128.98622	2.3
134.99559	0.8
141.02211	0.6
146.99617	3.7
149.01195	0.5
155.03749	1.7
159.03276	0.6
161.01170	0.7
165.00725	1.0
167.03716	0.8
169.01720	0.6
171.03264	2.6
173.04796	2.3
175.02780	0.6
177.04349	0.8
177.05785	0.5
183.03215	1.0
185.04787	2.3
187.02737	1.0
189.04324	4.5
191.03738	0.7
191.05859	1.9
193.12199	0.5
195.06801	0.7
197.04765	0.9
199.04739	0.5
199.06421	5.2
201.04288	1.1
201.07932	2.8
203.05907	6.1
207.05281	0.6
209.04846	1.1
209.06781	0.8
211.06348	0.8
213.04277	0.7
213.07944	0.9
214.05186	0.5
215.05780	0.9
217.07422	5.7
219.06979	0.8
219.08983	1.7
221.04950	0.6
221.06868	0.7
223.02661	2.0
223.06320	1.2
225.04408	0.6
225.07944	0.9
227.05850	2.5
229.07387	3.6
231.09090	0.8
237.07895	1.5
239.05966	0.7
241.07481	0.7
243.09091	1.1
245.06853	2.3
246.08000	0.5
247.08453	2.9
249.07886	0.8
251.06070	0.7
251.09502	1.2
255.08961	3.2
257.06931	0.5
258.07825	3.0
259.08405	0.9
265.07358	0.6
266.08313	0.7
267.09042	0.6
269.10614	3.4
273.10089	2.1
276.08810	2.1
281.10300	0.7
283.08539	0.7
287.11746	1.4
301.14667	1.6
303.12939	0.6
303.16284	1.2
305.10760	0.9
305.13989	0.6
311.13193	0.8
319.15869	1.0
321.17282	2.3
327.12518	0.6
329.14209	24.5
347.15265	67.9
348.15756	0.9
352.15680	0.6
353.21909	0.7
364.17853	0.6
365.16333	100.0
366.16769	0.8
370.16925	7.4
383.17535	5.0
388.17911	15.9
475.27350	0.6
637.33026	0.9
655.35120	48.4
656.35663	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	655.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.2
57.03430	3.8
57.07077	42.5
61.02936	9.8
62.70744	1.3
64.42728	1.3
64.49931	1.4
67.05510	13.5
69.03434	1.5
69.07069	9.3
71.08250	2.4
71.08632	31.7
71.50139	1.4
73.02923	3.4
75.04464	2.0
79.05506	2.5
81.03424	1.9
81.07056	20.0
83.08622	14.5
85.02910	12.0
85.10183	21.5
91.03954	10.1
91.05469	1.9
92.92717	1.5
93.07048	4.6
95.04981	1.9
95.08613	28.7
97.02912	5.8
97.10168	6.3
99.11737	2.0
103.07607	1.6
105.07035	2.1
109.02898	1.5
109.10149	15.8
111.11789	2.0
119.08643	1.8
123.11712	5.4
125.09660	1.5
125.13300	1.5
127.03947	4.1
131.08592	1.8
145.04965	5.7
145.10152	1.6
163.06068	5.8
239.23715	27.1
240.98576	1.7
257.24756	6.2
275.19949	1.5
313.27362	100.0
331.28418	11.6
475.32446	2.5
489.01205	1.8
565.25385	1.6
585.70740	1.5
609.37903	1.5
655.27405	1.7
655.38385	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	656.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01870	3.5
55.05515	29.1
57.03428	7.1
61.02921	3.1
63.57471	2.1
65.03928	2.6
67.05506	31.8
69.03422	8.4
69.07056	10.4
70.06605	3.0
71.04984	2.9
73.02932	2.4
78.18380	2.8
79.05490	27.9
79.97728	2.2
81.03426	6.2
81.07053	21.8
83.04948	4.2
83.08624	14.3
83.09747	2.3
85.02907	7.6
91.03953	3.8
91.05483	22.3
92.05812	2.3
93.07040	15.9
95.04954	6.4
95.08625	11.5
95.74201	2.2
97.02897	7.0
97.06535	5.3
97.10182	25.0
98.13827	2.2
99.69632	2.3
103.05489	11.3
105.07037	22.0
107.04995	11.1
107.08583	12.0
109.06498	3.4
109.10158	10.2
110.10439	2.2
111.08100	5.4
115.05459	4.5
117.07005	29.4
119.08611	12.4
121.06486	3.1
121.10133	3.8
123.08118	3.7
124.86372	2.3
125.09645	22.5
127.03865	2.5
128.06171	3.3
129.07013	14.9
131.08578	21.2
133.06461	8.5
133.10149	4.2
135.08075	6.1
137.05969	2.7
141.06955	6.8
143.08485	6.7
145.06482	7.3
145.10107	8.0
147.07980	3.5
147.11609	2.7
149.09554	4.1
153.07091	2.5
155.08542	6.0
157.10054	4.4
159.11746	3.7
163.03943	4.4
163.11195	2.6
165.05402	2.7
167.08481	2.4
169.10226	3.3
171.08022	3.3
175.11148	3.6
181.10240	3.0
185.13133	2.5
187.14809	7.3
189.09233	3.1
189.11227	12.5
193.10207	3.0
197.13315	7.6
215.14310	30.6
227.12752	19.4
267.16257	2.2
271.16873	4.2
285.09827	2.7
339.22891	3.0
349.21548	5.7
367.22751	8.1
385.23642	8.7
403.24808	4.2
441.26392	56.6
459.27426	100.0
477.28299	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	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05618	4.2
104.83069	3.4
115.67937	3.9
140.11568	4.2
276.59476	4.0
288.15952	3.7
409.20404	4.9
421.20358	9.0
423.21918	19.7
435.22141	8.0
451.21204	4.8
461.23642	5.4
465.23129	6.9
477.22961	8.7
479.24484	7.2
481.22589	4.9
495.23666	16.1
496.24207	7.2
508.24802	20.1
509.25391	8.8
510.26846	8.0
511.27145	9.4
519.23950	5.0
521.24921	5.1
537.24805	14.7
538.25653	14.4
553.28229	4.8
565.24634	6.1
581.27679	22.9
582.25867	4.7
583.25867	4.8
597.27106	51.5
598.27460	12.6
613.30170	78.2
625.26532	100.0
626.26526	8.5
657.28790	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	657.3098
Annotation	Dicliripariside A
Peak:m/z	Relative Intensity
53.03955	0.9
55.01873	0.9
55.05513	2.9
55.39367	0.4
56.96578	0.6
57.03439	1.8
57.07066	0.4
61.02932	4.3
67.05512	4.4
69.03432	3.4
69.07075	1.5
70.06596	1.1
70.08013	1.9
71.04992	1.0
72.08125	0.5
78.00544	0.4
79.05491	3.1
80.03837	0.3
81.03420	5.1
81.07055	3.7
83.04997	1.4
83.08611	2.3
84.08182	0.6
85.02908	5.7
85.06570	0.6
86.09702	0.8
87.04489	1.0
91.03957	2.4
91.05482	4.2
93.07037	3.3
95.04979	2.4
95.08627	2.0
97.02903	3.8
97.06525	2.1
97.10183	2.1
98.97578	0.4
99.04472	0.7
101.02378	1.3
103.03947	0.4
105.07029	2.5
107.04972	1.5
107.08634	2.4
109.02887	1.0
109.06529	0.9
109.10166	1.8
111.04459	0.4
111.08118	0.9
115.03898	0.4
117.07095	0.4
119.08595	1.9
121.06554	0.5
121.10204	1.3
121.83707	0.4
123.08133	0.6
123.11724	0.9
125.09647	2.7
127.03926	1.5
129.07007	0.7
131.08586	0.9
133.10159	1.1
135.08081	0.6
135.11739	0.7
137.05995	0.5
137.13217	0.5
145.04984	0.5
145.10167	0.9
147.11717	1.4
149.05995	0.4
149.09631	0.8
149.13240	0.4
151.07559	0.8
151.11235	0.4
157.10196	1.4
163.03961	1.3
163.07614	0.6
163.97079	0.4
165.05537	0.4
165.09163	1.1
173.09631	0.5
175.07735	0.5
175.11253	1.3
177.12804	0.4
185.04208	0.6
189.11259	1.3
193.12248	2.5
203.05467	0.5
209.11684	0.4
211.09473	1.3
211.13350	1.3
229.09264	1.7
243.08488	1.7
247.10370	1.4
251.12639	0.6
259.09662	0.6
267.16043	0.7
269.12286	3.3
285.12265	0.4
285.17026	0.6
292.14352	0.5
339.13403	0.4
429.11230	0.7
429.17102	5.5
447.17236	0.7
459.27954	0.5
469.20377	9.0
495.25162	1.1
624.92889	0.4
639.28259	0.9
657.30920	100.0
658.31274	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	657.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
58.70115	0.3
59.90773	0.3
67.05512	0.9
71.90535	0.3
72.92467	0.3
75.28709	0.3
77.00915	0.3
79.05481	0.7
81.07056	0.6
82.00358	0.4
83.08634	0.3
85.02907	0.4
91.05471	0.6
93.07100	0.4
95.01073	0.3
95.04967	0.3
95.08613	0.9
98.77557	0.3
105.07080	0.4
107.04950	0.7
107.08521	0.3
109.10165	0.8
119.01080	1.5
119.08633	0.5
125.55249	0.4
129.40735	0.3
133.10289	0.3
135.08035	0.4
137.02112	0.3
137.11597	0.3
147.07915	0.4
153.95210	0.3
195.10083	0.4
203.10452	0.6
229.30247	0.4
233.11714	0.5
239.76884	0.3
256.53082	0.3
257.12424	0.4
262.11819	1.4
263.12555	0.9
280.12885	1.2
291.19574	0.6
313.16498	0.8
321.13144	0.7
331.17780	2.9
347.18503	0.5
349.19766	12.2
367.19736	0.9
372.20306	0.8
375.21704	0.5
403.20792	0.8
405.22510	0.4
473.28784	1.0
503.28928	0.4
518.84003	0.3
526.88708	0.3
559.32751	1.0
571.32544	0.8
577.81921	0.3
587.32068	0.5
588.32806	2.0
639.37958	0.9
657.39691	100.0
658.40015	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	659.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.2
56.58011	0.2
56.96563	17.7
56.96956	0.6
67.05467	0.2
67.75328	0.2
68.85436	0.1
69.07039	0.3
69.85824	0.2
69.86207	0.2
71.20527	0.4
71.95262	1.8
72.95996	0.6
72.96360	0.2
74.62652	0.2
74.97585	0.8
76.67294	0.2
79.05490	1.2
84.95977	0.6
91.05421	0.4
92.64997	0.2
92.98610	0.3
93.06985	0.5
95.04931	0.4
97.06439	0.2
97.96796	0.5
98.97577	1.1
102.97040	0.2
103.00628	0.2
105.06977	0.4
107.08571	0.3
110.97546	0.9
110.98177	0.2
115.00636	0.6
115.97773	0.4
116.98627	1.2
119.08523	0.2
121.01659	0.3
123.01113	0.7
128.97722	0.2
128.98590	3.0
131.00107	0.4
133.01653	0.7
133.98830	0.4
134.99657	0.8
137.02693	0.7
139.00629	0.3
141.02179	0.7
143.00113	0.4
145.01711	0.4
146.98553	0.2
146.99649	4.0
147.03242	0.6
149.01196	0.5
151.00716	0.2
151.04216	0.3
153.02179	0.3
155.03764	0.9
157.01662	0.6
159.03284	1.0
161.01239	1.1
161.04822	0.3
163.02754	0.2
165.00760	0.9
165.02032	0.3
165.04317	0.2
165.05786	0.2
167.03781	0.6
169.01755	0.8
169.05310	0.7
169.98837	0.4
170.01132	0.3
171.03302	1.8
173.01154	0.2
173.04941	0.8
175.02785	0.9
175.06326	0.2
177.04320	0.4
179.02188	0.4
181.05299	0.8
183.03249	0.6
183.06885	0.6
184.00293	0.2
185.01208	0.4
185.04828	2.2
187.02832	0.8
187.06422	1.1
187.99878	0.6
188.03526	0.2
189.04358	2.2
189.05913	0.3
191.03827	0.2
191.05864	0.4
193.03749	0.4
193.05333	0.4
193.07208	0.2
195.03186	0.4
195.05232	0.2
195.06926	0.4
197.04858	1.0
197.08440	0.4
198.01970	0.3
198.05551	0.4
199.02698	0.5
199.06416	3.8
201.04327	1.0
201.07927	0.7
203.05887	3.7
205.01631	0.5
205.03543	0.2
205.05492	0.3
205.07417	1.6
207.05350	0.4
207.07056	0.3
209.04819	0.7
209.08516	0.2
210.01979	0.4
211.06407	1.1
212.03517	0.3
213.04317	0.5
213.07976	2.8
215.05925	0.8
215.09499	0.6
216.06728	0.4
217.03775	0.3
217.05420	0.3
217.07469	5.3
217.10783	0.2
219.03343	0.2
219.06926	0.2
219.09012	0.6
221.06937	0.6
221.08714	0.3
221.10475	0.2
223.02779	2.0
223.06342	0.7
223.08551	0.9
225.04277	0.5
225.07950	2.2
227.05856	1.4
227.09483	1.0
229.07426	0.7
231.05370	0.2
231.09004	3.4
233.08548	0.4
233.10538	0.3
235.06281	0.5
235.10217	0.4
237.04425	0.9
237.07932	1.1
237.09958	0.3
239.05910	0.3
239.09526	1.4
241.03786	0.5
241.07423	1.1
241.11034	0.9
242.08234	0.5
243.05284	0.3
243.09018	3.4
245.06874	0.8
245.10556	1.4
247.08290	0.3
249.08008	0.3
251.05794	0.3
251.09448	1.4
252.06685	0.2
253.07320	0.3
253.11154	2.1
255.05426	0.5
255.08997	1.5
255.12656	0.3
257.10596	2.3
259.08582	0.6
259.12158	0.9
260.09433	0.2
261.07813	0.3
261.10068	1.9
262.08743	0.7
263.05856	0.3
263.09579	0.4
265.11215	0.4
267.08981	0.4
267.12686	0.5
268.09561	0.2
269.10590	3.5
271.12143	1.3
273.10052	1.0
275.11505	1.0
277.07510	0.3
277.11096	0.8
279.08975	1.4
279.12378	0.4
280.09805	2.4
281.10437	0.8
283.08875	0.2
283.12177	0.5
285.09888	0.2
287.11667	1.7
289.14511	0.2
291.12625	0.3
293.10641	0.2
293.14322	0.5
295.08752	0.4
295.12180	0.6
297.10037	1.3
297.13452	0.4
298.10739	0.9
299.11646	0.6
301.14658	0.3
303.16248	0.8
305.10660	0.2
305.14267	0.3
305.17776	0.4
307.12332	0.4
307.15878	0.8
313.14389	0.4
319.12253	0.3
319.15726	0.4
320.12811	0.3
321.17374	0.7
323.18774	0.3
325.13156	0.5
325.16751	0.4
329.14166	0.3
331.15765	46.4
332.16205	0.3
347.15176	0.4
349.16833	100.0
350.17163	1.2
363.18567	0.3
367.17905	55.9
368.18173	0.4
369.18695	0.2
372.18411	8.1
385.19046	0.9
390.19476	7.9
391.19965	0.2
592.10205	0.2
598.70490	0.2
641.37244	2.4
659.38257	27.7
660.38519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96511	22.5
56.96817	1.9
67.05452	0.6
70.00785	0.4
70.01080	2.0
71.95261	2.3
72.95988	1.6
74.97570	0.9
77.77943	0.3
79.05426	1.2
81.03339	0.4
84.95986	0.8
88.57288	0.4
91.05418	0.6
93.06981	0.7
97.90792	0.3
97.96785	1.0
98.97578	0.8
107.08539	0.6
110.97517	0.8
115.97775	0.7
116.98595	0.5
119.71416	0.4
121.66123	0.4
123.01153	0.8
128.98598	2.1
133.01694	0.6
134.99638	0.9
137.02664	1.1
141.02184	1.0
145.09906	0.4
146.99629	2.8
147.03139	0.4
155.03839	2.2
157.01746	0.5
159.03229	0.5
161.04779	0.3
165.00708	0.6
167.03798	0.6
169.01753	0.5
169.05344	0.7
171.03195	1.1
173.04918	1.9
175.02725	0.5
177.04205	0.5
179.02246	0.5
181.05328	1.4
182.70282	0.4
183.03239	0.8
183.06877	0.8
185.01408	0.4
185.04787	1.5
187.06380	0.9
189.04262	1.6
191.05859	0.9
193.05342	0.5
195.05333	0.5
195.06844	1.8
197.04868	0.9
197.08492	0.7
199.06406	6.7
201.04172	0.7
201.08043	2.7
203.05937	3.0
205.07434	1.1
211.06352	5.6
213.07980	21.7
215.05843	0.9
215.09441	0.9
217.05452	0.4
217.07474	11.3
219.09039	2.1
221.06792	0.6
223.08432	0.9
225.07927	2.7
227.05846	0.5
227.09444	0.9
228.02928	0.5
229.07471	39.9
230.07759	0.4
231.09048	36.4
232.09612	0.4
236.09543	2.0
239.09509	0.7
241.07399	0.7
243.06664	0.8
243.09038	12.1
245.10429	1.8
247.08533	36.7
249.10083	0.6
252.09052	3.5
253.11124	1.3
254.10638	1.9
255.09041	1.3
257.10522	0.9
259.08530	0.5
261.10101	10.7
266.10641	1.0
267.08929	1.2
269.10611	2.3
269.67719	0.4
270.10193	1.8
271.12125	0.7
273.10117	1.1
280.09796	0.5
283.12115	0.6
284.11533	0.5
285.10007	1.8
287.11636	1.2
291.12646	0.5
297.13904	0.4
298.10919	0.4
303.16165	0.5
307.15726	0.5
309.13721	0.6
313.14755	1.1
321.17230	0.6
331.15771	7.4
333.18985	1.4
349.16855	100.0
350.16953	0.4
351.20331	0.5
367.17917	49.1
372.18469	1.5
385.19244	0.6
390.19516	11.5
521.28156	1.6
594.01294	0.4
659.38312	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	659.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58161	0.5
56.96509	36.9
57.10485	0.5
58.23680	0.5
67.05475	0.7
70.42542	2.1
70.42901	0.5
71.95198	3.7
72.95996	1.4
74.97587	1.4
79.05421	0.7
81.07004	0.9
84.95973	1.2
90.84931	0.5
91.05443	0.8
97.96767	1.0
98.97556	0.7
105.06978	0.6
110.97555	1.6
115.97803	0.9
116.98561	0.7
119.08469	0.6
123.01128	1.3
126.89824	0.5
128.58197	0.5
128.98628	3.0
133.01653	1.9
137.02660	1.6
139.00568	1.0
141.02142	1.9
145.01692	1.2
146.99657	4.0
147.03300	0.7
151.00693	0.7
151.04265	0.7
155.03807	3.0
157.01645	1.4
159.03212	1.3
159.85985	0.6
161.01155	1.0
165.00647	1.1
165.02118	0.6
167.03798	1.4
169.01671	1.0
169.05318	0.7
171.03300	5.2
173.04832	1.2
175.02705	0.8
177.04309	0.9
181.05249	1.4
183.03249	1.4
185.04860	5.5
187.02715	1.5
187.06343	0.9
189.02783	0.6
189.04353	8.3
191.05849	0.8
193.05377	1.0
195.06912	1.7
197.04819	1.8
199.06413	8.1
201.04208	0.9
203.05899	9.4
205.07436	0.8
207.06952	1.4
209.04861	1.3
209.06647	0.7
211.06404	4.7
213.07936	9.6
215.05841	1.9
217.05408	0.8
217.07471	14.9
219.03101	0.6
219.06985	0.8
221.06882	2.2
221.08714	0.9
222.07895	0.7
223.02898	1.0
223.06320	1.1
223.08278	0.6
225.07962	7.1
227.05898	1.1
227.09470	3.0
229.07573	2.7
231.06868	2.4
231.08989	14.6
233.08147	0.6
237.04259	0.8
237.07953	3.4
239.09570	5.5
240.09090	0.8
241.07436	1.2
241.11044	1.4
243.09052	7.0
245.10617	4.6
247.08467	0.8
249.07906	4.5
251.09512	8.1
253.07411	1.1
253.11002	1.9
254.10793	0.7
255.09050	22.1
257.10602	4.5
259.12192	1.6
262.08575	1.3
263.09512	1.1
267.06021	1.2
267.09009	30.9
269.10590	58.1
271.12003	0.8
273.10083	18.6
277.11292	0.9
278.10724	1.7
279.08881	2.4
279.12524	0.9
280.09769	1.5
281.10498	1.0
283.08679	0.6
283.12167	1.1
285.10077	52.0
287.11652	25.0
288.12131	0.8
290.10703	2.7
291.12531	2.2
292.12198	5.9
295.12228	0.7
297.10046	1.2
303.11136	5.1
307.12207	1.2
308.11710	3.9
309.13687	2.3
310.13245	1.9
313.14609	0.7
316.11594	0.6
325.13004	1.0
327.14816	1.2
331.15723	10.2
349.16824	38.4
350.17465	0.8
367.17902	100.0
368.18448	0.9
372.18494	2.0
382.58960	0.6
385.18964	13.0
390.19540	12.2
391.19632	0.7
408.20364	0.9
547.29376	1.1
561.31067	5.3
641.36462	1.0
659.38306	37.9
660.38538	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	659.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76503	1.1
56.05059	1.1
56.90108	1.1
56.96568	33.8
61.02913	1.1
67.05492	3.1
69.07075	1.6
71.49763	1.0
71.95260	2.6
72.96051	1.9
74.97630	2.0
79.05497	2.9
81.03429	2.5
81.07047	2.8
85.02907	1.6
91.05496	1.3
93.07058	2.3
95.08592	1.9
97.02918	1.5
97.06521	1.7
99.04456	1.2
105.07050	2.6
107.08609	1.6
109.10149	2.4
119.08585	2.0
121.10240	1.4
128.98637	2.1
129.07021	1.5
133.10158	1.7
134.99638	1.6
137.02736	1.5
143.08582	1.2
145.84236	1.2
146.99693	3.2
155.03784	2.5
157.01752	1.8
159.03372	1.6
161.01195	1.2
163.02931	1.3
165.04491	1.4
169.05370	1.9
171.03296	4.2
173.04784	1.8
175.02794	1.3
183.03368	2.4
185.04915	5.6
189.04359	5.6
191.05981	1.5
195.06969	2.8
197.04846	1.2
199.06464	6.5
203.05919	7.7
211.06490	3.1
213.07961	15.9
217.07440	14.0
221.06950	1.4
223.10197	1.2
225.04597	1.2
225.07933	7.1
227.09477	2.2
229.07495	6.8
231.06993	2.3
231.09032	25.1
237.07997	2.5
239.09630	5.0
241.07338	1.2
243.09082	8.5
245.10666	3.3
247.08662	3.8
249.08058	4.6
249.10530	1.2
251.09518	11.4
253.11177	1.3
255.09039	21.2
257.10687	3.9
259.12100	1.6
267.09015	26.9
267.11603	1.9
269.10602	96.2
270.10947	1.3
273.10071	16.8
278.10675	3.5
280.09726	1.6
285.06903	1.8
285.10089	45.7
287.11655	47.8
290.10666	2.9
292.12280	11.9
294.15213	1.3
303.11246	4.3
307.15833	2.2
308.11841	4.1
310.13434	3.1
331.15872	9.0
349.16791	30.6
351.18372	1.8
367.17911	100.0
368.18222	2.1
385.18958	18.2
390.19467	18.5
463.23590	2.8
547.29535	1.6
561.30774	12.7
577.30981	1.7
659.38385	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	659.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85776	0.3
55.05442	0.5
56.96496	19.0
56.96810	2.6
60.95795	0.5
62.01949	0.3
62.60300	0.4
67.05427	1.2
71.20248	0.7
71.95183	1.8
72.95972	0.5
74.97555	1.0
76.84231	0.4
79.05404	1.2
81.06973	1.0
84.95937	1.1
91.05411	0.7
92.98580	0.6
93.06969	0.9
95.08552	0.5
98.97530	0.5
105.00093	0.4
105.07043	4.4
107.04877	0.6
107.08596	0.4
109.10044	0.4
110.97499	0.5
112.99087	0.4
116.98564	1.0
119.08515	0.6
123.01126	0.6
128.98659	2.1
131.00133	0.5
133.10040	0.6
134.99626	0.5
141.02129	0.9
145.01634	0.4
146.99669	3.4
147.03214	0.7
149.01097	0.4
153.02145	0.4
155.03705	1.7
159.03236	0.9
161.01160	1.1
165.00667	0.9
167.03745	0.6
169.01643	0.6
169.05258	0.9
170.01190	0.5
171.03297	2.5
173.04872	2.5
175.02715	0.8
177.04259	0.5
179.02228	0.5
181.05328	0.6
183.03267	1.0
183.06844	0.8
185.04863	2.6
185.29358	0.4
187.02672	1.2
189.04341	4.7
191.03749	1.1
191.05859	1.2
193.03717	0.6
197.01010	0.5
197.04811	0.8
199.06406	3.5
201.04245	1.5
201.07910	1.5
203.03983	0.5
203.05928	5.6
205.01585	0.4
205.05276	1.0
207.05241	0.7
209.04832	0.8
209.06732	0.7
211.06459	0.9
213.07863	0.8
215.05815	1.4
215.09377	0.6
217.05438	0.5
217.07466	6.3
219.06924	0.9
219.08974	1.8
221.04767	0.5
221.06805	1.1
222.07750	0.4
223.02855	2.4
223.06299	1.7
225.04245	0.5
225.08127	0.6
227.05916	2.7
229.07468	2.9
231.08992	1.0
235.08519	0.5
237.04332	0.8
237.07959	1.9
239.05759	0.5
239.09438	0.9
240.09056	0.5
241.03819	0.5
241.07423	1.3
243.09016	2.3
245.06947	2.4
247.08572	2.5
251.05809	0.7
251.09373	1.0
253.11143	0.6
255.08997	3.9
257.04544	0.4
257.06976	1.6
258.07693	2.1
259.08252	0.8
259.12094	0.7
261.10065	1.4
265.07446	0.5
265.11081	0.5
266.08105	0.6
269.10541	2.5
273.10046	2.6
276.08728	2.3
278.10532	0.5
279.09143	0.6
281.10544	0.9
281.71140	0.4
283.08374	0.5
283.13538	0.6
287.11673	1.6
301.14734	1.5
303.16110	1.0
305.10846	0.8
305.14166	0.6
309.10260	0.5
311.13220	0.4
317.14166	0.4
319.15759	0.7
321.17349	1.8
323.11746	0.5
329.14200	22.1
330.14560	0.5
333.13470	0.8
333.17294	6.0
345.13605	0.7
347.15295	63.3
348.15521	1.5
349.16467	0.5
351.14661	1.2
351.18390	23.2
365.16364	100.0
366.16638	1.6
367.17368	0.9
369.15921	1.5
369.19543	21.1
370.16830	5.2
370.21133	0.6
374.20056	2.0
383.17444	5.0
388.17972	16.4
389.18036	0.7
392.21140	4.0
512.17755	0.4
605.31543	0.4
641.37213	3.3
659.38379	16.7
660.37201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	14.2
57.03395	0.4
57.46395	0.5
67.00291	0.4
67.05489	0.8
69.07042	0.4
71.02104	1.0
71.95229	1.3
72.89698	0.5
74.97592	0.6
79.05445	0.7
81.03380	0.6
81.07011	0.7
84.96005	1.0
89.96301	0.4
91.05499	0.5
92.98630	0.5
93.06978	0.4
94.19920	0.4
97.96819	0.6
98.97531	1.1
101.21661	0.4
102.96645	0.5
107.08536	0.7
110.97543	2.7
115.97800	0.5
116.98593	0.5
123.01178	0.6
128.97893	0.4
128.98596	4.7
129.99355	1.2
134.99593	0.7
138.92879	0.5
139.40916	0.5
143.00127	0.9
145.01654	0.5
146.98560	0.5
146.99638	5.8
148.00441	4.0
149.01187	0.6
155.03818	0.7
157.01620	0.7
159.03346	0.7
160.00368	1.8
161.01138	1.3
161.98267	0.4
165.00743	0.9
167.03816	0.8
169.01669	1.1
171.03255	1.7
172.00352	0.6
173.01213	1.1
173.04807	0.8
175.02777	1.1
177.04337	0.6
179.02235	0.7
179.99367	0.5
181.05272	0.6
183.03233	0.8
184.04059	0.9
185.01161	0.7
185.04776	1.2
186.01964	0.8
187.02682	0.6
189.04329	2.5
190.01398	0.7
193.05368	0.5
197.01259	2.4
197.04832	1.3
199.02649	0.6
199.06441	4.3
201.00716	1.7
201.04390	1.2
201.08072	1.0
202.05128	1.2
203.05910	3.5
204.02977	0.6
204.06549	0.5
205.07440	0.5
207.05273	0.7
209.04895	0.8
211.02721	1.0
211.06367	1.8
212.03581	0.5
213.08005	3.1
215.02248	6.3
215.05728	0.6
217.07471	9.2
218.89645	0.4
219.08940	0.8
221.04903	0.5
221.06770	0.5
222.07799	0.7
223.02779	1.1
223.06375	1.4
223.08356	0.7
225.04308	0.9
225.07967	1.5
227.05873	2.6
227.09523	1.8
228.03033	0.6
229.07484	6.9
230.04649	0.8
231.09024	4.4
233.03271	0.7
237.04153	0.6
239.05930	3.6
240.06645	2.3
241.07396	2.4
243.05424	0.6
243.08965	2.2
245.06915	1.8
245.10558	2.2
247.08505	5.2
253.10971	0.5
255.09036	2.0
257.06949	13.6
257.09958	0.6
257.10703	0.6
258.07770	11.6
259.08563	1.4
261.10086	1.7
272.05698	0.7
273.10022	1.3
275.08002	3.8
276.08817	9.4
280.09653	0.9
281.09387	1.0
289.14789	0.6
290.06693	1.0
290.10153	0.5
293.14075	0.5
295.11911	0.6
298.10745	1.0
299.10522	0.5
307.15704	1.9
313.14758	1.4
319.15735	0.6
321.17328	0.8
329.14017	1.5
331.15762	19.5
347.15289	4.6
349.16843	100.0
350.17215	1.9
351.18225	1.0
365.16364	6.6
367.17908	76.4
368.18262	1.8
369.19449	2.4
372.18378	3.4
385.18951	2.9
388.18137	0.8
390.19485	14.1
391.19916	0.5
516.92316	0.5
518.22504	0.5
641.37567	1.2
659.38251	45.9
660.38556	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	659.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66557	0.3
55.70755	0.3
56.96564	22.7
56.96818	1.4
67.05448	1.1
70.06541	0.7
71.08564	1.2
71.20578	0.4
71.95262	2.1
72.95993	0.6
74.97581	1.1
79.05472	0.6
81.07015	0.9
83.04885	0.3
84.95995	0.5
88.07575	1.1
91.05452	0.5
92.98623	0.4
93.06997	0.7
97.02798	0.4
97.06493	0.5
98.97523	0.6
102.09163	0.6
104.74535	0.3
105.06960	0.7
110.97543	1.0
116.98556	1.0
119.08468	0.3
121.10059	0.4
123.01178	0.7
128.98601	2.7
133.01736	0.4
134.99596	0.5
137.02695	1.0
139.00636	0.4
139.42078	0.3
141.02188	0.7
143.00116	0.4
145.01622	0.4
146.98715	0.3
146.99652	3.5
149.01192	0.6
149.02283	1.1
150.02663	0.5
153.02222	0.5
155.03780	1.6
157.01703	0.7
159.03284	0.6
161.01135	1.2
163.02748	0.4
165.00664	1.0
165.02089	0.6
167.03751	0.7
169.01682	0.9
169.05350	0.8
170.01157	0.5
171.03311	3.3
173.04813	0.9
175.02715	1.0
175.06387	0.4
177.04337	0.4
179.02209	0.7
179.03722	0.4
181.01697	0.4
181.05298	0.6
183.03317	1.6
183.06880	0.4
184.00470	0.6
185.04860	3.0
187.02768	0.9
187.06323	0.4
189.02740	0.5
189.04337	5.1
189.07919	0.7
191.05881	0.8
193.04950	1.5
194.05183	0.7
195.03308	0.7
195.06900	0.9
197.04860	1.6
199.02699	0.6
199.06422	4.9
201.04326	1.6
201.07971	0.9
202.01384	0.3
203.05928	5.2
205.07407	0.8
207.05281	0.5
207.07054	0.4
207.08929	0.4
209.04910	0.8
209.06798	0.5
211.02718	0.4
211.06386	1.5
213.04381	0.4
213.07973	5.2
215.05884	1.1
217.07433	8.6
219.06934	0.5
219.09033	0.8
221.06888	1.2
221.08725	0.5
222.08061	0.5
223.02675	0.5
223.06323	0.9
223.08511	1.0
224.03560	0.4
225.07996	2.3
227.05875	1.1
227.09479	2.1
229.07443	5.4
231.09039	8.8
234.08078	0.3
235.06387	0.8
236.09525	0.6
237.04295	0.5
237.07954	1.6
239.09575	2.5
240.09079	0.6
241.07370	0.9
241.11090	1.0
243.05179	0.4
243.08960	2.2
245.06906	0.4
245.10562	1.0
246.07877	0.4
247.08430	3.2
249.04303	1.9
249.07991	0.5
249.11618	0.6
250.05156	0.4
251.09485	1.8
252.08977	0.5
253.07556	1.2
253.11101	1.0
255.09027	1.1
256.26385	1.6
257.10532	1.5
257.26706	1.3
259.12183	1.0
263.05899	1.1
263.09607	0.5
265.11121	0.8
267.05521	0.5
267.09027	1.0
267.12646	1.2
269.10599	5.5
271.08490	0.8
277.07370	0.5
277.10672	0.4
277.14661	0.5
278.08243	0.5
279.09009	0.6
279.12381	0.4
281.10629	0.9
285.10120	0.6
287.11719	2.8
293.10574	1.6
293.14145	0.7
295.15811	0.5
297.10184	0.7
299.11703	0.5
303.13123	0.4
303.16351	1.3
305.17856	0.6
306.11386	1.7
307.12439	0.7
311.11716	0.6
313.14639	1.0
319.15591	0.6
321.17435	2.1
323.15372	0.5
323.18973	0.9
324.12408	0.9
329.13113	0.5
331.15762	13.4
337.16977	1.3
339.18481	2.3
349.16846	72.3
350.17355	0.7
357.19443	0.9
367.17914	100.0
368.18207	0.8
369.18591	0.4
372.18442	8.2
385.08588	0.4
385.18988	11.4
390.19492	15.2
391.20129	0.4
408.20660	1.4
429.11572	0.6
430.12296	0.9
521.27753	1.0
525.93188	0.5
641.37244	1.3
646.78229	0.4
659.38092	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	659.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80180	0.5
53.03938	0.4
55.05514	0.8
55.25690	0.5
56.96563	1.1
67.05497	1.8
71.08642	0.5
71.50318	0.7
79.05493	0.8
81.07065	1.5
85.02903	0.8
91.05478	1.2
93.07050	1.2
95.04985	0.7
95.08620	1.0
97.06547	0.7
101.51006	0.5
105.07056	1.2
107.04920	0.5
107.08595	1.2
109.10113	0.9
110.79665	0.5
112.49697	0.6
117.14579	0.5
119.01060	0.8
119.08598	0.8
121.10119	0.9
121.66644	0.5
133.10153	0.6
171.07732	0.5
190.88570	0.5
191.01912	0.5
227.09541	0.7
245.10786	1.5
253.39873	0.6
262.11771	0.6
275.19824	0.6
280.13580	0.6
322.73447	0.5
328.07748	0.6
331.17902	0.9
333.19687	1.5
340.07135	0.8
349.16553	0.9
349.19855	1.5
351.21286	8.5
367.17780	2.4
371.01361	0.6
390.19385	0.7
405.22452	0.8
561.34271	0.8
641.38635	1.1
659.41272	100.0
660.41528	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	660.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
55.01876	2.4
57.03434	4.3
61.02926	7.0
65.03948	4.0
65.61200	0.9
67.05498	1.3
69.03427	24.9
70.06583	3.5
70.81245	1.0
71.01349	3.2
71.04987	2.2
71.48907	1.5
72.08165	1.6
73.02918	3.8
79.05502	10.3
80.05024	1.9
81.03417	11.1
81.07061	3.2
83.01361	2.0
83.05006	1.1
84.08126	2.5
85.02906	52.4
86.09749	2.6
87.04459	3.9
91.03954	2.7
91.05486	10.2
92.05016	5.0
93.03412	2.4
93.05788	2.9
93.07037	7.1
95.04972	7.8
95.08642	1.3
97.02308	1.7
97.02892	20.9
98.97591	3.7
99.04482	3.0
103.03945	2.1
103.05476	14.3
104.51567	0.9
105.07034	2.9
107.04946	11.2
108.04472	6.2
109.02899	7.1
109.05282	8.3
109.06490	2.1
110.06045	97.2
111.04430	6.4
111.42096	1.0
115.03928	1.5
116.98631	1.4
119.04922	5.7
121.06500	15.2
122.06036	26.3
122.06918	1.3
123.04411	2.4
127.03929	10.6
129.10233	1.7
131.04958	7.7
133.06500	2.7
134.05974	5.9
135.06789	2.4
136.07597	3.3
137.05981	3.4
139.03922	5.1
145.04997	5.9
146.06082	1.5
147.04431	4.2
149.05984	26.3
149.07159	1.9
151.03914	2.9
152.07079	3.6
153.05507	1.5
159.04436	10.7
160.07565	4.0
163.03856	2.0
163.07567	1.3
165.05536	5.9
167.07025	5.7
169.08865	1.3
170.09700	1.3
172.07568	2.6
177.05495	16.1
179.06985	1.2
180.08099	3.1
181.04927	1.2
181.06436	1.4
181.08650	3.3
183.06769	5.9
184.07570	2.4
185.08307	1.6
186.09146	23.8
190.08621	3.6
191.07027	12.1
195.06528	6.5
196.07506	5.1
197.08372	1.9
198.09138	37.9
199.09836	1.6
200.10686	1.8
201.52287	1.1
209.08116	11.9
210.09044	1.9
212.10773	2.9
214.08624	1.8
216.06570	3.7
216.10199	22.5
216.12167	1.8
219.01825	1.4
221.45258	0.9
222.09158	2.5
225.07774	1.2
226.08670	1.3
227.09128	5.3
228.10129	2.4
232.09569	1.2
237.02869	1.1
240.10188	11.7
244.09805	1.4
256.09698	2.9
258.11185	3.2
268.09738	11.5
272.11273	1.2
284.11267	2.0
286.10730	19.1
288.12228	1.4
300.12277	16.2
304.11932	1.6
313.88376	1.1
318.13358	100.0
334.12988	1.2
336.14417	68.7
360.14136	2.1
462.17664	1.5
480.18643	58.8
498.19684	79.6
642.23840	4.5
660.24927	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	661.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
56.89533	0.5
56.96550	0.7
57.03425	1.1
61.02917	0.6
61.60902	0.6
67.05493	2.0
69.07059	1.4
70.27476	2.1
79.05492	2.4
81.03420	1.2
81.07058	2.6
83.08619	0.7
85.02917	1.0
91.05494	1.4
93.07058	1.9
95.04988	1.6
95.08625	1.0
97.06532	2.2
100.60645	0.5
105.07051	1.5
107.04981	0.8
107.08610	1.2
109.02892	0.6
109.06530	0.7
109.10162	1.0
113.90638	0.6
117.07037	1.0
118.88501	0.5
119.08605	1.4
121.10159	1.4
123.08043	0.6
129.06958	0.7
131.08546	1.1
133.06496	0.6
135.08069	1.0
135.11745	0.6
145.10143	0.8
167.07118	0.7
243.08456	1.2
365.16483	0.8
433.20126	0.9
435.22269	0.7
443.24164	3.5
451.21509	0.6
469.22507	0.9
499.26358	3.4
619.24213	2.4
625.72028	0.7
633.32690	1.6
661.31970	100.0
662.32446	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	661.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14231	1.0
55.05493	1.6
56.96564	31.7
67.05491	3.1
69.07066	1.0
71.08631	2.1
71.50317	1.4
71.95241	3.1
72.96057	1.7
75.04485	1.3
79.05476	3.0
81.03405	1.3
81.07037	2.3
83.08624	1.7
84.96045	1.1
91.05477	1.5
93.07026	2.9
95.05001	1.6
97.06488	1.3
102.47452	1.4
105.00098	1.0
105.07013	2.6
107.08572	1.6
109.10114	1.5
117.06970	1.5
119.08546	2.0
121.10134	1.2
125.06102	0.9
128.98576	1.5
137.02721	1.2
141.02225	1.5
146.99661	3.8
147.03198	1.5
155.03770	1.8
157.01727	1.1
159.03296	1.3
165.00673	1.1
169.01773	1.4
171.03281	3.1
173.04851	1.4
183.03218	1.3
185.04840	3.3
187.02690	1.6
189.04344	4.9
195.06940	1.7
195.90079	1.1
199.06354	6.5
201.07867	1.3
203.05960	6.3
207.07062	1.1
211.06479	2.9
213.07976	11.2
217.07445	13.4
219.09006	1.3
225.08018	5.7
227.06088	1.4
227.09421	2.0
229.07491	9.2
231.09029	16.5
236.09552	1.6
237.07991	3.4
239.09474	3.3
240.09029	1.2
241.11118	2.0
243.08992	10.0
245.10616	2.7
247.08524	7.2
249.07974	1.3
251.09579	4.2
253.11185	2.3
255.09023	22.5
257.10477	2.4
261.10083	3.8
267.09039	10.8
269.10590	32.9
270.10822	1.3
271.12137	1.3
273.10110	16.7
278.10587	3.0
285.10098	17.2
285.20499	1.2
287.11670	16.2
292.12143	3.3
296.11703	1.0
303.11081	1.9
308.11539	1.6
315.16348	1.4
331.15643	2.7
333.13559	1.8
333.17352	24.3
349.16843	8.1
351.18408	99.8
352.18747	2.5
367.17938	23.7
368.18347	1.9
369.19479	100.0
370.19876	2.6
374.19855	7.5
385.18997	3.9
387.20074	1.8
390.19412	5.3
392.21063	16.7
411.13232	1.2
545.31702	1.1
552.81842	1.0
563.31885	1.3
627.44287	1.2
643.38226	2.9
661.39612	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	663.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.9
53.92676	6.8
55.01863	23.6
55.05516	32.0
56.96561	8.8
57.03434	11.4
57.07068	8.4
67.05506	87.8
69.03425	11.0
69.07069	70.7
70.06152	14.2
70.06541	15.5
79.05487	98.4
81.03413	53.0
81.07056	61.7
83.04967	20.9
83.08617	18.5
85.02943	8.8
91.05481	83.0
93.07033	58.4
95.04974	40.3
95.08601	72.5
97.06532	29.9
97.10157	18.8
103.05434	7.3
105.07034	47.1
107.04957	71.9
107.08587	75.4
109.06541	11.2
109.10169	48.1
111.04415	11.7
111.08077	10.4
117.06999	24.8
119.08608	43.7
121.06493	17.2
121.10139	30.3
123.08057	24.1
125.09641	12.4
129.06963	18.7
131.08592	37.2
133.02870	9.7
133.06477	17.6
133.10135	25.8
135.04419	13.2
135.08023	18.6
136.08818	16.0
137.09633	25.1
143.08569	16.3
145.06490	10.0
145.10109	26.6
147.04367	10.7
147.08047	18.4
149.09608	65.9
155.08473	11.1
157.06537	7.0
157.10121	22.7
159.04482	9.8
159.08093	12.0
159.11690	19.2
161.02374	11.6
161.09639	23.9
163.03902	68.9
163.11205	11.6
165.05486	10.5
165.09186	10.6
167.10667	9.2
171.11696	10.2
173.02339	24.6
173.05893	9.0
173.11742	12.0
173.13232	8.9
175.03860	9.7
175.11182	22.3
177.00745	7.7
181.06552	8.5
183.04324	7.6
185.05876	13.0
187.03929	37.7
193.12224	8.1
195.08113	7.0
199.03882	24.3
199.11198	8.6
201.05473	12.5
203.14536	7.6
213.05469	10.4
255.10181	16.6
255.17432	8.4
260.95856	7.3
269.11667	20.5
270.46176	7.7
273.18533	54.2
274.19049	9.6
281.11804	7.5
283.13333	14.3
285.10187	10.2
291.19537	80.8
292.20114	14.0
297.11185	7.5
313.14404	9.2
360.16727	6.9
389.21130	14.6
391.22659	10.5
407.22153	30.2
417.20667	95.3
435.21625	100.0
453.22815	69.2
663.29797	11.9
663.40344	18.5
674.42957	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	663.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	19.7
55.05507	27.4
56.96577	9.9
57.03431	8.8
59.19148	5.5
64.42079	6.1
67.05505	72.2
67.82542	5.9
69.03429	7.2
69.07069	53.1
69.39607	45.7
77.07835	5.8
79.05482	59.3
81.03412	33.2
81.07065	42.9
83.04956	10.8
83.08628	18.0
85.02905	13.0
91.05480	58.3
93.07037	74.6
93.26274	5.2
95.04956	33.6
95.08612	60.7
96.12285	6.0
97.06532	22.1
97.10182	14.2
99.84597	5.9
105.07026	37.0
107.04940	56.8
107.08583	52.2
109.06545	13.3
109.10141	32.8
111.08070	8.6
117.07020	12.3
119.04956	9.3
119.08561	35.4
121.06514	15.3
121.10147	26.6
123.08041	15.9
125.09631	16.0
125.46888	6.1
129.06984	12.2
131.04921	8.3
131.08557	28.2
133.02853	6.7
133.06505	9.3
133.10143	21.0
134.91388	5.9
135.04425	7.8
135.08015	27.2
135.11720	9.0
137.09616	16.6
139.11230	6.4
141.06973	8.0
143.08553	16.8
145.06487	7.1
145.10126	12.1
147.08038	12.7
147.11694	9.9
149.09615	39.4
149.39304	6.8
157.10112	13.5
159.11656	9.4
161.02415	7.6
161.09633	12.7
163.03891	46.3
163.11229	12.6
165.09138	11.2
169.09988	6.8
171.11729	9.6
173.02356	19.9
173.11678	14.9
175.11165	10.7
181.10080	5.6
187.03830	32.2
189.05466	10.5
199.03838	14.4
201.05443	6.1
203.10670	10.1
230.14400	7.0
235.13280	8.8
255.10091	9.8
267.09906	8.1
269.11731	11.3
273.18442	44.5
291.19525	100.0
297.11234	13.4
305.10715	5.9
311.13028	9.8
329.14151	8.7
347.15140	8.8
365.16501	8.4
399.19159	7.1
407.22055	16.4
417.20508	67.2
435.21710	68.9
436.22089	9.5
453.22772	47.2
516.61444	7.0
543.09857	5.9
663.29340	26.0
663.38849	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	663.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.6
55.01862	6.7
55.05510	13.9
57.03412	3.6
57.07062	4.6
65.03941	2.7
67.05502	37.1
69.03407	7.1
69.07070	33.4
71.50016	4.5
72.54305	2.4
73.02912	2.4
79.05495	30.5
81.03417	28.3
81.07059	22.2
83.04969	9.8
83.08609	9.6
85.02880	5.2
91.03955	3.1
91.05460	20.1
93.07038	27.3
94.07843	3.0
95.04954	17.2
95.08599	25.9
97.02899	5.9
97.06510	10.4
97.10159	5.0
101.06169	2.4
105.07040	18.8
107.04958	31.0
107.08607	16.3
109.06509	8.0
109.10135	20.1
111.04420	5.7
111.08070	2.9
113.06003	2.6
117.07001	10.3
119.04957	2.5
119.08554	19.4
121.06499	4.8
121.10163	15.3
123.04461	3.4
123.08054	4.6
125.09623	5.8
128.06172	3.1
129.01582	2.1
129.07007	7.7
131.08531	11.7
133.02802	3.4
133.06467	4.3
133.10117	11.1
135.08044	10.8
135.11700	3.9
137.09608	8.5
139.11197	2.3
143.08537	6.6
145.02834	2.9
145.10123	8.4
147.04431	3.9
147.08017	5.9
147.11638	4.7
149.02330	3.2
149.05942	3.0
149.09627	26.2
157.10126	7.3
159.04382	6.4
159.08089	2.8
159.11667	5.4
161.02313	5.8
161.09595	4.8
162.25726	2.8
163.03891	13.5
163.11185	5.8
165.05504	2.8
165.09114	3.1
167.08597	3.0
167.10606	3.7
170.08702	2.7
171.11621	3.5
173.02368	10.1
173.11719	8.8
175.11172	8.2
177.12819	2.5
181.12263	3.1
183.04407	3.3
185.09508	3.7
187.03876	11.4
187.11252	3.8
189.12729	4.4
195.08231	2.5
199.03928	7.4
203.10509	2.2
208.20723	2.7
209.09731	2.7
213.05475	4.7
223.13263	5.2
225.19630	2.5
229.07396	5.4
235.13214	5.5
245.18924	4.5
255.10164	10.5
269.11807	3.5
273.18457	15.0
274.19290	3.0
275.20078	3.4
291.19534	100.0
292.20078	3.4
297.11145	7.7
342.39813	2.6
407.22015	3.0
409.12140	2.5
417.20746	6.8
425.23212	3.5
433.70996	2.5
435.21603	16.1
448.27399	3.4
453.22797	15.1
465.28445	3.6
466.28915	7.9
621.23303	3.3
627.27979	3.6
663.30249	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	663.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.6
55.01876	3.3
55.05512	19.1
57.03210	2.0
57.03437	23.4
57.07077	8.4
61.02927	73.7
67.05503	24.8
69.03429	31.6
69.07069	29.3
70.84254	3.6
70.84621	1.5
71.01340	4.1
71.04979	5.3
71.08635	4.7
73.02910	24.1
79.05488	15.3
81.03420	25.8
81.07055	31.6
83.04984	4.5
83.08621	17.2
85.02904	81.5
85.10165	2.2
87.04445	4.5
91.03955	49.7
91.05486	5.5
93.07038	16.6
95.04971	3.9
95.08600	31.7
97.02890	66.6
97.06525	2.5
97.10151	10.6
98.98449	8.0
99.04449	11.8
101.02393	8.2
103.03938	10.2
105.07042	3.3
107.08590	11.9
109.02887	12.0
109.10166	14.4
111.04441	4.4
111.08067	2.6
111.11705	4.2
115.03905	5.4
117.05478	2.4
119.08566	3.8
121.10143	17.0
123.11705	5.7
127.03911	38.8
129.05460	8.0
130.10141	1.6
133.10109	4.5
135.11720	10.7
137.05933	1.6
145.04958	23.3
145.10075	1.9
147.11697	2.5
149.13225	8.2
151.14827	4.0
153.12718	1.7
155.01047	8.8
159.06525	4.5
163.05984	6.1
163.14874	3.2
171.06532	2.1
183.06549	10.6
201.07620	8.2
207.13795	1.9
229.04703	2.7
247.24294	8.7
263.23837	2.3
265.25262	25.6
308.68640	1.7
337.27350	29.5
339.28937	100.0
351.18225	2.2
367.28534	3.3
373.27332	4.0
381.29791	5.0
383.14587	2.0
409.29269	2.6
421.28101	1.8
422.59772	1.7
447.30875	5.2
465.32205	6.1
467.38647	2.0
483.33087	13.6
495.26608	2.0
501.34216	2.2
504.84747	1.7
663.40125	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	663.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64440	0.8
55.05515	2.0
56.96563	24.7
57.03426	1.0
57.28804	0.8
60.91241	0.8
66.74866	0.9
67.05522	4.0
69.03448	1.8
69.07082	1.9
69.78720	0.8
71.49873	1.0
71.50298	1.4
71.95271	2.7
72.96050	1.4
79.05517	4.8
81.03445	2.7
81.07068	3.0
83.08601	1.5
91.05495	3.5
91.45886	0.8
93.07059	2.3
95.04997	2.7
95.08631	2.9
97.02916	0.9
97.06541	1.0
105.07043	3.3
107.05000	3.4
107.08594	1.6
109.02912	2.9
109.06512	1.2
109.10183	2.3
110.97617	1.1
117.07000	1.3
119.08602	2.5
121.06552	1.3
121.10190	1.5
123.08022	1.1
125.09649	1.1
128.98553	1.7
129.07054	1.0
131.08601	1.3
133.01776	1.3
133.06523	0.9
133.10172	2.5
137.09654	1.2
139.03923	1.6
141.02269	1.0
143.08665	1.0
145.10143	1.0
146.99712	2.2
151.03915	0.9
155.03796	2.3
157.01814	1.3
159.11746	1.1
165.05551	2.7
165.12819	1.1
165.97697	0.8
167.07056	2.0
171.03400	2.8
173.09579	0.8
175.02753	0.9
177.05606	1.4
185.04898	2.2
187.02734	1.4
189.04462	3.0
195.06746	1.3
196.70592	1.0
197.05000	1.2
199.06441	5.4
203.05920	7.3
209.04910	0.8
209.08330	1.2
211.06505	2.6
213.07964	5.6
215.05933	1.4
217.05551	0.9
217.07462	13.1
221.47006	1.0
223.02820	1.1
225.07967	4.5
227.09494	2.0
229.07497	4.7
231.06937	1.1
231.08968	9.3
237.08118	3.6
239.09727	3.1
241.11320	2.5
243.08965	5.3
245.10744	2.9
247.08554	1.8
249.08154	2.4
251.09486	4.6
253.11340	1.0
255.09064	22.1
255.11707	1.5
257.10675	2.3
259.12433	1.4
261.10312	1.1
267.09021	17.7
267.11609	1.2
269.10596	35.3
273.10098	16.6
273.12750	1.2
275.20255	2.8
278.10751	2.6
281.11005	0.9
285.10083	30.6
286.10529	1.1
287.11639	14.9
290.10770	1.7
292.12323	3.3
303.11273	3.1
308.11752	2.4
309.17468	1.0
310.13409	1.4
332.16003	1.1
333.17319	13.0
349.16998	2.1
350.16980	1.1
351.18393	51.6
352.18842	1.1
353.19885	5.1
367.17908	4.1
368.18530	2.1
369.19479	100.0
370.19742	1.9
371.21011	3.8
374.20020	5.1
387.20355	7.6
390.19702	0.8
392.21033	17.4
392.25540	1.3
393.21906	1.0
494.13617	0.9
563.32904	3.8
645.40356	3.2
663.41522	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	663.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69273	0.3
56.96514	15.0
56.96819	1.0
65.07495	0.3
67.05461	0.6
68.28175	0.3
71.02156	0.5
71.36261	0.3
71.95264	1.5
72.96023	0.7
74.97578	0.8
79.05453	0.5
81.03369	0.4
81.06990	0.4
84.95991	0.3
91.05429	0.4
92.98623	0.4
93.07014	0.4
95.04938	0.4
95.08587	0.4
97.06474	0.4
98.97520	0.3
105.07015	0.3
107.04902	0.4
110.97546	0.3
111.00205	0.3
115.00638	0.8
116.98665	0.3
121.10139	0.4
123.01172	0.4
128.98511	0.7
133.01668	1.3
133.02644	0.3
137.02676	0.3
141.02170	0.7
145.10042	0.3
146.99574	1.3
147.03264	0.7
149.09415	0.3
151.04379	0.3
155.03734	0.6
159.03275	0.9
161.01180	0.4
161.04794	0.4
165.05513	0.3
167.03766	0.7
169.05290	0.6
171.03246	0.7
173.04855	0.9
175.06326	0.6
177.04132	0.3
179.05760	0.4
181.05367	0.5
183.07018	0.4
185.04788	1.1
187.02823	0.4
187.06360	0.7
189.04251	0.9
189.07916	1.1
191.05798	0.6
193.07399	0.5
195.06923	0.5
195.09612	0.3
197.04698	0.4
197.08463	0.6
199.06383	3.0
201.04366	0.4
201.07985	1.9
203.05876	2.6
203.09523	0.9
205.07373	0.9
207.08977	0.7
209.08362	0.5
211.06401	0.9
213.07962	2.5
215.05844	0.5
215.09506	1.3
217.07477	6.0
219.09019	1.1
221.10602	0.8
223.08223	0.3
225.08011	1.7
227.09476	1.7
229.07411	0.7
231.09018	2.7
233.10526	0.4
237.04263	0.6
237.07936	1.1
239.09538	1.0
241.07407	0.7
241.11061	1.2
243.09039	2.1
243.12659	0.8
245.10568	1.3
251.09386	0.6
253.10973	1.5
255.09027	1.5
257.10605	1.6
258.24979	0.3
259.12143	0.5
261.10062	0.8
267.08966	0.6
269.10556	1.6
269.14288	0.3
271.12051	1.5
273.10214	0.4
277.11105	0.4
277.15039	0.4
281.10522	0.9
281.14368	0.3
287.11603	0.6
295.12186	0.7
295.15536	0.5
299.11542	0.6
303.16391	0.5
305.17813	0.6
307.19415	0.6
309.17365	0.8
313.13153	0.6
315.16406	0.5
321.17285	0.4
323.18909	0.7
325.20605	0.7
333.14136	0.5
333.17319	24.1
351.18387	99.8
352.18564	1.3
369.19467	100.0
370.19705	1.2
374.19977	6.6
387.20502	3.6
392.21054	10.2
393.21121	0.4
410.22171	0.3
645.40179	2.8
663.41376	36.8
664.41638	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	663.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
56.35159	0.5
56.96567	17.1
60.95849	0.9
61.02893	0.6
67.05505	2.8
69.03441	1.2
69.07062	0.8
71.08649	0.5
71.49789	0.5
71.95270	1.4
74.36700	0.5
74.97614	0.7
75.93049	0.4
77.59998	0.5
79.05489	1.5
81.03424	0.7
81.07069	1.6
83.08598	0.6
85.02909	0.7
91.05479	2.2
93.07043	1.8
95.04971	1.3
95.08591	1.6
97.06517	1.1
97.96793	0.6
105.07042	2.3
107.04928	1.0
107.08605	1.2
109.02880	0.6
109.06580	0.6
109.10154	1.2
110.97638	0.5
111.08001	0.6
117.07050	0.6
119.08579	1.7
121.10148	1.6
123.08094	0.9
128.98633	1.5
131.08603	0.8
133.01694	1.0
133.10092	1.4
135.08015	0.8
137.02716	0.7
141.02229	0.9
146.99638	1.7
147.11768	0.8
149.01125	0.6
153.02237	0.7
155.03769	0.9
155.06821	0.5
159.03214	0.9
163.11172	0.8
165.00659	0.7
165.05539	0.5
169.05342	0.6
171.03261	1.9
173.04794	1.6
179.07222	0.6
183.03355	0.7
185.04860	1.7
187.02756	1.0
189.04321	2.4
189.07942	0.9
189.11195	0.6
191.05984	1.2
197.08456	0.8
199.06461	3.0
201.04315	0.6
201.07950	1.4
203.05901	3.6
211.06427	1.3
213.07974	3.0
215.05956	0.9
215.09480	0.7
217.07426	4.8
219.08960	0.7
221.06866	1.1
223.02827	0.6
225.08025	1.6
226.76794	0.5
227.05876	0.8
227.09505	1.0
229.07483	4.5
231.09065	4.0
237.08012	1.1
239.09476	1.1
241.07494	0.8
241.11232	1.9
243.09050	8.6
245.06825	0.6
245.10475	0.6
247.08415	3.2
253.11172	0.9
255.08994	4.8
257.10822	0.6
259.12210	1.6
261.10141	6.6
266.10645	0.8
267.08450	0.5
269.10629	0.9
271.12210	0.8
273.10065	4.2
275.20172	0.9
281.10663	1.1
284.11713	0.7
296.11707	0.7
299.11670	0.6
305.17639	0.7
313.13202	0.7
315.16394	1.5
321.17493	0.6
321.84113	0.5
323.18878	1.8
333.17328	30.3
339.18805	0.6
349.16544	0.6
351.18399	100.0
352.18796	2.3
353.16910	1.2
354.17310	0.8
355.18051	1.3
369.19504	85.3
370.19849	1.8
373.18869	1.4
374.20047	8.3
387.20566	1.7
392.21152	15.7
393.21103	0.6
400.83118	0.6
645.40485	2.6
663.42529	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	663.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	28.5
59.18800	2.0
67.05495	8.6
69.03427	2.7
71.49915	3.2
71.95267	3.0
79.05475	5.8
81.03406	3.1
81.07056	5.4
83.04964	2.3
83.08604	2.4
85.02885	2.1
89.80649	1.8
91.05477	5.5
93.07028	4.8
95.04977	3.5
95.08613	3.9
97.06532	2.6
105.07011	3.3
107.08601	5.4
109.06525	3.7
109.10165	5.6
119.08593	5.0
121.10147	4.5
123.08093	2.3
125.09644	2.3
131.08577	4.2
133.10129	4.4
135.08046	3.2
137.09593	2.3
139.11185	1.9
149.09610	2.6
157.10072	2.3
171.11845	2.2
180.07040	1.9
185.13252	2.0
187.06332	2.2
191.05917	1.8
199.06348	9.4
201.07910	2.6
203.05878	4.7
211.06453	6.2
213.08018	19.0
217.07526	17.9
219.09073	3.6
225.08005	2.3
229.07472	69.5
231.09027	37.4
231.11279	2.8
236.09547	3.1
243.09050	11.1
247.08528	62.8
247.11105	3.9
252.09100	4.4
255.08955	3.4
261.10080	8.3
267.09042	4.0
269.10678	9.3
270.10056	4.3
274.71527	2.4
285.09976	5.0
287.11755	6.3
313.13443	2.2
315.16147	3.1
333.17239	10.3
351.18399	38.5
369.19489	100.0
374.19833	2.9
383.17548	2.9
387.20370	14.3
392.20969	18.9
523.29291	13.7
663.41650	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	663.4141
Annotation	Unnarmicin C
Peak:m/z	Relative Intensity
55.05412	0.5
56.96448	7.1
56.96762	3.0
60.09044	0.3
67.05369	1.1
69.06980	0.4
69.07283	0.4
69.86712	2.0
71.95135	0.8
71.95486	0.4
74.97498	0.8
79.05366	0.5
79.64734	0.3
81.06940	0.7
84.95911	0.4
91.05367	0.7
91.59566	0.4
93.06932	0.4
95.04851	0.5
95.08477	0.6
98.97471	0.7
99.12448	0.3
105.06902	0.8
107.04829	0.4
107.08484	0.5
109.10030	0.5
110.97434	0.9
112.92957	0.3
116.98500	0.5
119.08456	0.6
121.10046	0.6
123.07926	0.4
128.98593	1.7
129.99280	0.5
133.10010	0.4
134.99533	0.6
143.00031	0.4
145.10031	0.6
146.99602	2.2
148.00255	1.3
159.03084	0.4
159.93614	0.4
160.00238	0.8
161.01047	1.2
165.00662	0.6
167.03668	0.4
171.03111	1.2
175.02707	0.5
183.03209	0.6
184.00371	0.4
184.03947	0.4
185.01068	0.4
185.04655	1.3
189.04146	1.3
195.06805	0.6
197.01151	0.7
197.04698	0.6
197.08334	0.5
199.02777	0.4
199.06400	2.3
201.04160	0.4
203.05916	2.2
209.08328	0.5
210.01924	0.8
211.06284	0.9
213.07970	4.9
215.02301	2.0
215.09372	0.4
217.05716	0.5
217.07472	4.6
219.09073	0.6
223.02725	0.6
225.07838	1.3
227.05807	1.0
227.09546	4.9
228.02919	0.6
229.03845	0.4
229.07492	1.9
231.09033	7.1
237.09943	0.9
239.05791	1.2
239.09430	0.7
240.06688	0.6
240.09109	0.5
241.03481	0.4
241.07272	0.8
241.11003	1.3
243.09030	2.8
245.06810	1.4
245.10587	5.1
247.08484	1.5
253.07405	0.7
253.11031	0.5
255.12460	0.8
257.06900	4.4
258.07736	5.2
259.08405	1.2
259.12006	0.6
261.09909	1.1
265.07544	0.5
267.08994	0.6
267.12619	0.6
269.14148	0.9
271.08316	0.7
272.09396	0.5
275.07999	1.7
275.13242	0.4
276.08755	3.6
280.08472	0.6
283.11972	0.6
290.06784	0.4
290.10275	0.4
294.11188	0.4
295.12054	3.8
295.15659	1.0
305.17651	0.4
309.17303	2.6
313.13342	2.1
313.16418	0.5
315.16315	0.9
321.17245	0.7
323.18829	0.5
325.20422	0.6
327.18314	0.7
333.17310	13.7
337.27432	0.9
351.18417	68.5
352.18750	0.5
369.19492	100.0
370.19876	1.0
374.20041	7.8
387.20551	9.9
392.21097	12.8
501.30359	1.6
519.19763	0.4
609.61243	0.4
645.40466	1.7
663.41876	60.0
664.42627	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	663.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24834	1.8
57.07082	46.6
60.24030	2.0
61.88581	2.3
70.76381	4.3
70.76741	4.0
91.05475	4.3
98.07082	1.9
113.56573	2.1
115.98066	1.9
127.21193	2.6
131.45094	2.2
132.11247	1.9
136.70279	2.1
147.11705	8.5
153.06964	3.4
166.88213	2.0
226.77327	2.3
233.03552	6.3
251.04709	15.9
307.10898	2.7
327.07828	87.4
328.08124	2.8
363.43506	2.1
383.09061	2.4
383.14075	66.0
439.20355	67.1
495.26642	66.2
551.32837	100.0
607.30109	4.0
607.39117	65.9
663.45685	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	663.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64206	1.0
57.07079	53.5
70.43421	2.1
70.43781	2.4
75.65403	1.0
87.70755	1.2
91.05495	6.6
98.21479	1.2
105.07030	1.6
119.08538	1.6
122.49742	1.4
143.78894	1.2
147.11668	6.3
153.06989	4.3
229.10121	1.3
233.03632	6.4
251.04675	18.6
257.40573	1.1
307.10947	1.4
327.07813	100.0
328.08224	1.2
330.92987	1.3
383.14081	62.8
384.14362	1.9
439.20343	60.6
440.20673	2.7
495.26605	68.8
496.26666	2.9
530.49066	1.5
551.32843	89.5
552.33197	3.9
607.39105	66.9
608.39404	3.1
648.42542	1.3
663.45508	14.8
681.78729	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	664.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.8
57.03434	9.6
57.07076	22.5
59.05003	2.6
59.34417	1.1
61.02909	3.1
67.05501	52.7
69.07063	4.2
69.52082	7.8
71.04980	2.7
71.08633	13.2
72.65599	1.1
81.07053	13.6
83.08615	10.9
84.80452	1.1
85.02925	5.5
85.06538	1.4
85.10195	9.8
91.03947	1.7
91.05481	4.9
93.07028	2.2
95.08595	11.5
95.37135	1.0
97.02887	2.4
97.10170	1.8
97.23766	1.1
98.21481	2.1
109.10155	55.7
111.08084	2.1
111.11734	1.3
119.08577	4.3
123.11678	1.9
137.09593	2.5
155.10713	2.4
173.11772	16.3
175.20345	1.2
228.09767	1.6
229.14342	100.0
239.23718	1.8
247.64304	1.2
257.24771	1.2
285.49686	1.1
313.27359	84.0
349.73688	1.1
442.37845	1.3
467.37292	68.0
545.25262	1.4
552.32758	1.4
656.37701	1.2
664.39636	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	667.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.6
54.95595	4.4
55.01865	8.6
55.05506	38.6
57.03428	16.7
57.07075	80.9
67.05502	69.3
69.03427	19.5
69.07069	24.7
69.41361	43.3
71.04975	8.8
71.08633	56.8
75.04522	5.0
79.05485	43.9
81.03417	77.9
81.07053	69.3
83.04976	13.9
83.08614	32.5
85.02908	38.6
85.10199	28.8
90.33323	4.7
91.05468	34.4
93.07055	37.4
95.01322	6.6
95.04965	90.3
95.08592	59.8
97.02877	18.5
97.06558	7.7
97.09639	4.8
97.10143	26.3
98.21564	8.7
99.04478	9.3
103.03939	27.2
103.05474	5.3
105.07011	31.8
107.04972	31.7
107.08604	16.8
109.02872	20.7
109.06508	12.8
109.10152	28.7
111.04453	10.7
111.08078	5.8
117.07028	13.5
119.08575	20.5
120.20233	4.9
121.06516	23.5
121.10144	17.1
123.04428	70.3
123.11674	7.7
127.03907	16.2
128.06204	6.4
129.06949	12.7
131.04924	11.8
131.08592	13.4
133.06497	10.3
133.10130	12.2
135.08101	10.1
135.11716	18.1
137.05989	9.3
137.13234	5.1
143.08516	9.5
145.06462	9.4
145.10133	28.5
147.04417	20.6
147.08023	14.2
147.11743	9.6
149.05940	11.2
149.09604	7.6
153.09126	7.9
157.06467	5.5
159.11670	8.2
160.48477	5.5
161.05946	12.7
161.09676	5.9
163.11180	41.0
171.11681	10.5
173.06052	6.3
173.09627	9.0
175.11110	4.7
177.12737	6.0
181.06477	4.9
185.13182	5.5
189.05373	6.9
189.12764	14.1
191.10648	7.6
193.12312	14.6
199.11171	6.1
205.12283	12.0
207.13806	10.6
211.13315	12.2
217.12117	11.0
223.13229	9.0
235.13289	87.8
239.23717	20.3
247.13312	5.6
249.14859	13.1
253.14282	6.3
255.13780	6.6
259.13272	33.7
273.14856	48.4
277.14334	14.5
283.13370	8.2
289.14355	13.6
291.15918	9.5
301.14325	74.7
309.16864	13.9
313.27359	100.0
319.15552	25.7
333.16995	5.2
337.16592	7.2
340.40756	5.5
341.26804	6.9
351.17987	9.1
355.28586	5.5
357.16995	5.5
375.18024	39.0
393.19061	17.0
411.20090	21.8
415.30518	13.7
547.39929	35.0
589.40881	9.8
601.40540	12.1
602.40265	4.9
613.41125	40.3
631.41565	13.2
649.42969	13.6
667.44049	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	670.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03289	0.8
50.40257	0.9
53.03944	1.9
53.40912	0.8
55.01857	0.9
57.03434	2.4
57.07055	1.1
59.04990	4.0
61.02929	2.0
67.05506	3.4
69.03430	5.0
69.65105	5.7
70.06586	1.8
71.01361	3.6
71.04996	2.2
77.03957	1.3
79.05484	10.2
81.03394	4.5
81.07066	2.1
83.04980	2.3
84.08173	1.7
85.02903	9.5
85.06544	57.3
91.05479	3.7
93.07050	5.2
95.04967	17.5
95.08633	1.3
97.02892	6.0
101.06027	1.6
103.03948	3.7
103.05453	5.0
103.07565	9.4
105.07018	0.8
107.04956	78.6
109.02878	58.6
109.06523	5.3
111.04436	1.7
111.08083	1.0
121.06509	12.4
121.08614	14.5
123.04417	5.4
125.02350	5.8
125.06014	1.9
127.03940	4.4
128.81613	0.9
131.04951	4.5
131.05823	0.8
131.07027	4.9
133.02893	1.9
135.04420	14.4
137.05988	2.3
139.03899	33.6
139.04936	1.8
141.05428	1.6
145.05017	3.0
149.05980	21.4
151.03900	21.4
153.05463	4.4
159.04422	4.9
163.07655	0.9
165.05478	62.5
167.07053	15.1
177.05473	56.2
181.08647	1.2
191.07019	11.0
195.06531	24.5
209.08093	100.0
210.08394	1.4
211.09663	1.3
213.07666	1.0
216.49435	0.9
227.09146	17.9
253.10583	1.1
269.79144	0.9
279.12247	6.5
297.10226	1.5
297.13358	22.8
303.05133	1.0
311.14761	5.0
321.09589	1.1
329.16025	7.4
339.10724	5.5
371.13608	1.2
441.17511	2.5
459.18539	3.3
473.20230	1.1
491.21164	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	670.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	26.5
56.96542	2.1
57.03432	7.5
57.07072	12.7
59.50418	2.2
61.02923	28.7
67.05496	31.8
69.03428	4.6
69.07068	48.7
71.08619	6.3
73.02902	9.0
75.04464	3.5
79.05488	20.3
81.03407	4.4
81.07053	45.0
82.73073	1.9
82.99666	2.4
83.08619	36.9
85.02897	30.1
85.06545	3.5
85.10191	5.6
85.40128	2.1
90.16245	1.8
91.03951	25.1
91.05472	3.2
93.07040	24.8
95.08601	38.1
97.02887	15.4
97.06526	8.5
97.10163	26.6
98.20729	4.6
105.07019	1.9
107.08575	21.5
109.02845	2.3
109.10136	20.2
111.08080	8.1
111.11710	5.9
121.10143	47.0
123.11739	15.3
125.09650	3.4
127.03911	10.5
135.11688	39.7
137.13237	10.5
139.11140	3.5
145.04956	12.3
149.13234	15.0
151.14784	2.4
153.12708	4.0
163.06026	20.7
163.14832	5.7
167.14301	2.1
219.21094	43.5
237.22112	95.6
243.14111	2.1
255.23148	23.5
293.21072	2.2
311.25793	100.0
312.25986	2.2
329.26828	63.0
362.83078	2.7
473.30923	3.3
524.23724	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	670.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	31.3
56.33293	3.6
57.03432	4.5
57.07071	17.7
61.02930	22.9
67.05495	14.7
69.03425	4.7
69.07063	52.9
70.75240	10.0
71.08634	16.7
73.02904	10.9
75.04503	3.5
79.05477	11.2
81.03426	6.4
81.07056	23.2
83.04967	4.5
83.08617	41.7
85.02902	26.9
85.10201	7.4
91.03963	20.6
91.05483	8.3
93.07050	16.1
95.08616	17.8
97.02892	10.3
97.06519	10.0
97.10165	38.3
102.70351	3.7
107.08580	13.9
109.10168	12.1
111.11703	13.2
121.10139	24.9
123.11702	8.3
125.09621	4.7
127.03902	10.1
135.11642	17.4
137.13226	5.1
139.11148	4.4
145.04973	10.1
149.13313	8.6
154.93155	3.4
163.06047	17.8
163.14708	4.9
176.14253	4.5
219.20999	24.3
237.22083	37.0
255.23148	42.0
306.27966	4.7
311.25766	100.0
329.26843	42.6
423.91156	3.7
430.07700	3.4
473.30908	10.0
670.29187	10.5
679.80762	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	670.408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01862	5.1
55.05514	8.4
55.87564	1.0
57.03442	1.2
57.74097	0.9
59.76273	1.1
61.67133	1.0
67.05509	16.8
69.03425	1.9
69.07071	18.3
71.04992	1.9
71.50350	1.3
79.05495	18.9
81.03423	13.8
81.07058	12.6
83.04983	6.8
83.08635	1.6
85.02905	1.6
91.05486	16.8
93.07049	20.1
95.04979	7.7
95.08609	15.1
97.06502	6.0
97.10179	1.9
99.04454	1.7
105.07038	11.5
107.04959	47.9
107.08593	12.8
108.41177	1.2
109.06506	3.1
109.10155	6.0
111.04456	3.6
111.08068	1.4
117.06979	5.4
119.08580	13.0
121.06492	4.0
121.10141	6.8
123.08062	3.1
125.09615	3.1
129.07010	4.1
131.08575	9.8
131.43095	1.2
133.06494	2.9
133.10123	6.7
135.08037	8.4
135.11719	2.0
137.09587	4.8
139.11163	2.6
142.07732	1.4
143.08571	3.7
145.10123	4.9
147.08029	4.3
147.11722	2.6
149.09621	26.6
151.07626	1.3
153.09061	1.4
157.10139	3.7
159.11707	4.1
161.09583	5.5
163.11205	2.1
167.10619	1.6
171.11746	2.1
173.11739	3.4
175.11197	4.1
177.12769	1.4
179.10646	2.4
189.12785	1.8
195.13800	2.8
203.12769	2.7
221.11649	1.6
235.13544	1.5
236.16397	2.0
245.18994	4.1
255.17403	3.2
263.20154	3.0
273.18478	29.9
291.19537	100.0
292.19803	1.7
309.16141	4.2
309.20502	3.8
358.95276	1.5
529.38959	2.5
545.36176	1.5
670.39398	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	670.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01871	5.5
55.05506	20.1
56.96564	5.3
57.03424	7.5
57.07063	5.9
61.02913	6.2
67.05510	41.4
69.03419	9.8
69.07070	21.8
70.06583	10.1
70.07379	3.3
71.04982	5.3
71.49663	3.3
71.50040	5.7
73.02900	3.7
79.05494	22.4
81.03411	14.5
81.07061	38.8
83.04980	14.2
83.08609	14.0
85.02898	25.8
85.06512	4.4
89.84618	3.8
91.05486	21.6
93.07047	30.9
95.04956	8.3
95.08609	50.0
97.02868	11.3
97.06528	12.8
97.10155	12.1
105.07048	28.0
107.04922	8.7
107.08591	29.8
109.02848	5.6
109.06500	5.8
109.10146	48.6
115.05437	3.6
117.07030	9.1
119.08578	36.6
121.10152	28.3
123.08059	5.7
123.11719	17.1
125.09586	8.4
127.03884	7.6
129.06856	3.6
129.09137	3.7
131.08586	13.7
133.10138	29.4
135.08070	5.6
135.11700	18.5
137.06044	4.9
137.13251	5.8
143.08539	6.6
145.10144	20.1
147.11694	21.2
149.09532	6.6
149.13240	19.3
156.09264	4.1
157.10136	9.0
159.11717	18.2
161.13290	13.4
163.03922	4.3
163.11139	5.3
163.14763	5.4
169.10127	10.4
171.11679	12.0
173.11818	8.2
173.13263	12.8
175.11217	5.7
175.14848	6.8
177.12721	5.0
177.16362	4.4
183.11751	8.0
185.13263	9.5
187.14796	8.4
189.16389	6.8
197.13269	8.0
199.14740	6.5
201.16283	7.0
203.17963	14.1
205.15883	4.5
207.11592	4.7
211.14864	7.1
213.16359	6.6
215.18100	4.4
217.15898	6.0
227.12875	4.9
227.18027	7.9
229.14392	11.4
245.19125	4.8
251.16342	6.1
257.13705	5.5
257.18875	4.2
267.08951	4.1
281.19031	4.8
283.15399	4.2
293.21060	8.0
295.24197	4.8
317.21298	4.5
358.94385	4.4
369.52347	4.0
389.32153	4.8
401.31763	5.4
407.33035	13.5
419.33273	20.7
425.34290	34.2
437.34167	29.8
443.35150	11.4
455.35242	32.9
462.11838	4.3
473.36331	100.0
531.84039	3.8
670.38300	11.6
671.32556	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	672.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01878	1.8
56.96569	1.8
57.03442	2.6
59.05011	6.4
61.02927	3.4
65.99438	1.2
67.05505	3.3
68.68569	0.9
69.03433	30.2
70.06597	9.3
71.01342	5.2
71.05001	1.8
72.08163	1.9
73.02924	2.9
79.05494	22.7
81.03424	9.9
81.07058	4.0
83.01346	1.7
83.04977	2.3
84.04481	1.6
84.08184	1.4
85.02909	20.1
86.09701	3.1
87.04475	19.1
90.71552	1.0
91.05477	7.1
93.07041	9.3
95.01328	2.2
95.04969	25.8
95.08611	1.5
96.41565	1.1
97.02895	9.1
97.06537	3.0
98.97583	1.2
99.04443	1.6
103.03957	4.2
103.05471	7.6
105.03416	1.8
105.05518	3.7
105.07016	3.5
107.04957	95.2
108.05301	1.8
109.02881	62.2
109.06528	9.7
111.04456	2.4
112.07592	1.3
115.03946	2.1
120.08136	1.1
121.06508	17.0
123.00813	1.7
123.04417	11.8
123.06521	6.2
125.02375	8.2
125.06009	5.1
127.03920	10.8
131.04922	7.2
133.02841	2.4
133.04958	12.2
135.04413	100.0
136.04813	1.5
137.05977	4.0
139.03911	28.8
139.07486	2.3
141.05472	4.0
145.04959	3.2
147.04390	1.5
147.06552	4.1
149.05980	30.8
151.03897	24.9
153.05470	21.6
153.06635	1.7
153.09250	1.2
159.04414	5.6
161.06064	1.2
163.07544	1.5
165.05479	58.1
167.03345	2.0
167.07047	26.9
167.08455	1.6
175.05952	2.0
175.11555	1.3
177.05481	63.8
177.83574	1.1
179.07121	1.2
181.08572	2.5
182.13127	1.1
183.06555	1.2
191.07051	10.2
191.53276	1.1
195.06522	41.2
209.08102	70.9
213.07610	1.2
213.11121	1.2
227.09146	13.9
229.07066	1.3
229.10857	1.1
229.30743	1.1
237.02794	2.6
237.07619	1.8
255.08659	1.9
267.07495	1.1
270.32568	1.1
276.69739	1.2
276.89230	1.1
281.10193	26.6
299.11255	84.4
300.11557	1.8
313.12778	14.5
321.09677	1.7
331.13882	22.2
339.10718	7.5
443.15479	7.1
461.16827	6.4
475.18304	2.1
510.22623	2.3
595.63470	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	672.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01864	3.1
55.05495	1.2
57.03435	2.3
59.05014	6.4
61.02917	3.9
61.79464	1.3
63.99030	1.2
65.77460	1.4
67.05502	4.0
69.03430	25.2
69.97653	1.0
70.06590	14.9
70.20644	1.1
71.01351	3.7
71.04977	2.5
71.49359	1.3
72.08141	2.1
73.02921	3.1
76.86127	1.1
77.03925	1.4
79.05495	19.1
81.03423	8.7
81.07056	3.7
83.04972	2.8
84.04507	2.5
84.08147	1.8
85.02905	18.5
86.09711	5.7
87.04475	16.8
88.03964	1.4
91.03955	1.6
91.05486	7.5
93.07049	6.9
95.04969	24.3
95.08620	2.0
97.02919	9.3
97.06552	2.1
99.04441	1.9
103.03921	4.8
103.05462	7.5
105.05510	5.4
105.07037	2.1
107.04955	90.9
109.02876	66.6
109.06516	9.6
111.04459	4.4
112.08736	1.3
115.03944	6.0
121.06503	17.9
123.04424	8.7
123.06561	5.4
125.02362	5.1
125.06017	2.2
127.03915	6.3
129.05496	11.7
131.04927	5.3
133.02858	2.5
133.04941	9.3
135.04413	59.9
136.07613	2.1
137.05998	2.9
139.03900	33.8
139.07582	1.5
141.05429	2.6
145.04968	3.0
145.09720	1.2
146.09737	1.4
147.06569	2.6
149.05986	27.2
151.03894	19.4
153.05469	18.8
159.04413	5.4
165.05479	68.8
167.03328	1.7
167.07042	33.6
177.05469	66.3
181.08650	2.4
191.07007	12.7
195.06520	24.6
209.08087	100.0
211.05966	2.1
227.09143	14.3
263.09186	5.6
281.10187	34.6
295.11719	12.5
299.11252	46.6
313.12820	6.6
315.35388	1.2
321.09671	1.4
331.13882	21.9
339.10727	4.2
404.16119	1.7
443.15579	4.4
461.16620	4.3
478.15994	4.0
492.21472	2.5
510.18649	4.9
654.25934	2.4
672.26117	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01859	2.5
55.05516	2.1
56.96582	2.1
57.02908	1.4
57.03429	2.9
58.67938	1.4
59.05003	4.6
61.02930	3.3
64.46541	1.3
66.60861	1.8
67.05515	3.3
69.03437	21.1
70.06596	43.2
71.01353	4.5
71.04994	3.9
71.06912	2.6
72.08162	5.3
73.02919	3.2
74.06087	2.1
76.52821	1.4
79.05499	16.7
81.03408	7.4
81.07072	3.4
83.04974	1.8
84.04501	4.5
84.08152	3.5
85.02908	18.5
86.09721	12.5
87.04462	14.3
87.10112	1.5
88.04017	1.7
91.03954	1.9
91.05486	6.6
93.07050	5.8
94.17954	1.3
95.01323	1.9
95.04974	20.1
95.06047	2.2
97.02898	8.4
98.21547	4.1
100.07600	2.6
103.03941	5.1
103.05488	6.5
104.21722	1.6
105.05523	3.4
105.07064	2.1
106.06675	1.3
107.04960	76.0
108.05293	1.6
109.02882	51.8
109.06525	7.0
110.06061	1.3
110.07138	2.0
111.04443	3.3
112.08734	3.4
115.03946	6.2
115.08657	3.5
121.06511	12.6
122.06042	1.8
123.04446	10.0
123.06580	4.1
125.02376	5.5
125.05951	2.1
127.03929	5.2
129.05493	11.9
129.17229	1.5
130.06544	3.2
131.04938	6.4
133.02850	1.4
133.04991	5.9
135.04416	48.7
135.05444	2.6
136.07602	2.4
137.05995	3.3
139.03912	29.1
141.05463	2.1
145.04961	3.9
147.05542	2.7
149.05984	24.4
151.03915	19.2
153.05464	13.4
159.04350	7.7
165.05492	59.9
167.07050	26.9
167.08423	1.8
177.05479	50.8
181.04987	1.9
191.07010	11.9
195.06555	23.2
209.08099	100.0
211.06042	1.9
227.09160	16.7
229.28191	1.5
237.02884	1.7
253.10947	1.5
263.09256	3.0
281.10242	30.4
295.11783	16.5
299.11276	47.6
313.12796	7.3
331.13940	21.0
334.48135	1.5
339.10599	4.2
372.17099	1.6
404.16241	2.2
443.15512	4.4
461.16217	4.5
474.20151	1.9
475.17804	2.8
478.16159	5.5
492.21011	5.4
510.18149	6.8
654.26758	3.0
672.26392	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	672.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
51.30920	0.3
53.03946	2.8
55.01875	3.2
55.05499	1.4
56.05020	1.6
57.03416	1.6
57.27779	0.4
61.02923	2.5
65.03936	1.7
67.04242	0.9
67.05508	3.5
68.05026	0.9
69.03427	10.1
69.07103	0.3
70.06586	1.8
70.18016	1.7
71.01356	0.7
71.04984	1.8
73.02882	1.8
77.03928	0.5
79.05486	3.5
80.05015	2.1
81.03420	4.8
81.07057	2.6
82.06586	5.0
83.01311	0.6
83.04973	1.7
83.07355	0.7
84.08131	0.5
85.02901	12.2
85.03392	0.8
86.09719	0.8
87.04463	1.5
91.03952	0.5
91.05476	4.4
92.05009	0.9
93.07044	4.0
94.04229	0.5
94.06574	1.1
95.04961	13.5
95.08609	0.6
96.04465	0.5
96.08115	2.9
97.02888	9.1
97.06528	1.0
98.06052	1.0
98.09705	1.2
99.04453	1.3
99.85867	0.4
100.07614	40.7
103.05467	1.7
104.04993	0.9
105.03380	0.9
105.04514	0.8
105.07038	1.2
106.06563	1.1
107.04953	3.2
108.04494	0.5
108.08140	2.5
109.02888	4.2
109.06527	2.2
110.06050	0.5
111.04418	0.9
111.08080	1.3
112.07648	0.8
114.09165	0.7
115.03900	0.4
115.05412	0.9
117.07009	1.5
118.06544	0.6
119.04916	0.7
119.08638	0.4
120.04465	8.6
120.08084	4.6
121.06501	36.9
122.06068	1.6
122.09710	0.7
123.04427	4.5
123.06822	0.5
123.08087	0.6
124.03951	1.5
124.07584	4.3
126.09147	8.9
127.03921	3.4
129.04475	3.7
129.07001	0.9
130.02922	1.5
131.04942	1.0
131.08569	0.7
132.04402	0.5
132.08138	0.7
133.02843	1.1
133.06508	1.4
133.08890	1.3
134.06018	0.7
134.09654	1.1
135.04414	1.2
135.08041	0.8
136.07564	4.1
136.11243	0.9
137.05986	3.5
137.08333	0.4
138.05484	0.5
138.09123	2.6
139.03894	4.2
139.07521	10.7
140.10710	0.9
141.05486	1.5
145.04984	1.0
145.06464	2.5
146.06050	0.7
146.09644	7.3
147.05524	34.0
148.07574	1.0
149.05942	0.6
149.08479	0.5
150.09151	1.5
151.03897	5.9
152.10739	0.5
153.05591	0.4
154.08653	2.3
155.07101	0.5
158.09724	0.4
159.04402	0.7
159.05531	6.3
159.08058	0.9
160.07564	1.0
160.11198	0.7
161.05981	1.3
161.08374	0.6
162.09200	0.7
163.03955	1.2
163.07602	1.5
163.09999	0.4
164.10715	6.9
165.05473	38.8
166.08757	0.5
167.07031	0.4
168.10268	1.0
170.09650	1.2
171.10500	0.4
173.05890	2.4
173.07271	0.5
174.09201	1.4
176.07124	0.7
177.05478	0.7
177.06657	3.4
178.08615	1.6
178.12314	1.6
179.07005	0.6
180.10211	1.7
181.11014	0.6
182.11835	0.7
183.06564	0.4
187.05031	4.0
187.08797	0.6
188.07095	0.6
188.10707	0.8
189.05499	0.7
190.04977	0.4
191.07133	0.9
192.10216	1.6
193.08656	0.4
194.08142	0.5
198.09178	2.0
199.10025	0.5
200.10750	0.5
201.06619	1.3
202.12291	0.4
203.08195	1.2
206.08156	5.2
206.11810	1.6
207.08855	1.1
209.08116	0.8
210.11263	0.6
211.08801	0.5
215.07042	0.9
216.10239	1.8
220.09761	0.6
226.08669	1.9
228.08861	0.9
229.09721	4.2
230.11742	1.8
233.08144	0.6
238.10760	0.9
239.08163	2.3
240.13884	0.5
244.09715	1.8
244.13391	0.8
247.09567	0.6
248.12944	0.9
250.12379	0.6
258.11197	0.5
262.14658	0.5
263.08310	0.5
265.10263	1.1
267.07706	6.5
267.11230	1.6
268.13382	1.0
276.12411	1.7
278.11789	1.2
284.13947	0.6
286.14413	0.6
290.13904	1.4
291.07700	0.4
291.11292	1.1
292.14417	0.4
296.12787	2.1
300.13351	0.5
302.15002	0.7
308.14832	5.4
309.08713	2.5
310.15256	3.9
312.13419	0.5
314.13824	2.1
328.16293	4.4
332.15033	1.3
341.11456	0.7
346.16266	2.7
361.11740	1.2
364.17523	3.6
379.12851	9.7
390.14368	1.2
390.18671	2.3
393.14410	0.9
408.15335	12.3
411.15503	11.7
415.02322	0.5
422.17010	0.8
440.18216	1.6
460.18777	2.5
470.20276	7.5
472.20605	0.6
478.19757	6.2
490.21603	0.8
492.21320	3.9
508.21829	2.2
510.22382	9.7
510.30005	0.5
521.90985	0.4
526.22906	1.2
573.20789	3.8
639.04413	0.4
642.86096	0.4
654.26544	6.0
672.27588	100.0
673.27509	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	672.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26371	1.4
51.90862	1.2
53.03946	3.4
53.14396	1.3
55.01865	4.6
55.05506	2.9
56.05020	1.9
57.03431	3.8
61.02919	6.0
63.94896	1.3
65.03938	2.9
67.05498	6.0
68.67491	1.2
68.68895	1.2
69.03424	19.2
70.06591	8.2
70.84286	2.0
70.84626	2.8
71.04988	3.8
72.04543	1.7
73.02914	3.2
79.05488	6.2
80.05016	3.8
81.03411	10.6
81.07072	4.3
82.06578	12.7
83.04990	2.5
83.07372	3.5
84.08150	5.7
85.02903	28.0
86.09717	3.8
87.04485	3.1
91.03948	1.6
91.05487	8.7
92.05016	1.7
93.07041	6.1
94.06561	2.1
95.04960	19.4
96.04525	1.4
96.08131	14.2
97.02892	15.3
97.06533	2.6
98.09689	1.9
99.04440	2.2
100.07619	83.7
103.05481	4.5
105.03353	2.2
105.07038	4.8
106.06560	2.1
107.04976	7.1
108.08137	4.0
109.02879	5.9
109.06535	2.3
110.06046	2.9
111.04395	1.8
115.05447	2.5
117.07024	7.2
119.04988	3.2
120.04476	19.4
120.08089	7.1
121.02852	1.5
121.06495	35.9
122.06033	12.7
122.09660	1.4
123.04443	6.4
123.06844	4.6
124.07592	33.6
126.09182	11.0
127.03948	4.7
129.04532	4.2
130.02946	3.3
131.04936	2.7
131.08556	1.5
133.02841	1.6
133.06493	5.0
133.15941	1.3
134.05994	1.5
134.09737	1.8
135.04462	3.8
135.08083	2.4
135.44278	1.3
135.54131	1.3
136.07582	13.0
136.11153	1.7
137.05986	4.7
137.08324	1.5
138.09151	4.4
139.03944	6.7
139.07541	10.8
141.05544	2.6
141.07027	2.4
145.04988	1.3
145.06500	9.6
146.09621	9.1
147.05528	89.8
148.07616	5.7
150.09132	3.1
151.03908	8.3
154.08653	5.0
157.06544	2.9
159.04416	3.1
159.05598	5.5
159.08109	3.0
160.07571	1.4
160.11200	2.5
161.06044	2.9
161.08301	1.3
162.09158	2.9
163.03914	2.5
163.07610	4.1
163.09941	3.3
164.10704	12.7
165.05470	51.9
169.06485	1.4
170.09720	5.3
173.05905	7.4
174.09067	3.4
176.10760	1.9
177.06613	3.9
177.09067	1.7
178.08633	2.2
178.12231	2.8
180.10294	3.5
185.07199	2.5
186.09248	1.5
187.05043	2.9
187.07430	2.4
188.07033	1.6
188.10692	10.3
189.05443	2.9
191.07004	2.3
198.09105	7.7
199.07616	2.1
200.10721	3.7
201.06563	2.3
202.08694	1.7
206.08141	5.9
206.11710	2.5
210.11270	1.6
213.06662	1.7
215.07108	4.1
216.10216	18.5
217.10997	1.9
222.12975	1.5
226.08716	7.1
226.12218	8.9
228.09044	1.9
229.09801	5.8
230.11777	4.2
233.08105	2.4
239.08163	5.4
240.13945	4.4
244.09677	28.9
245.10503	5.1
247.09549	1.6
250.12285	3.9
258.11316	1.9
265.06259	2.0
265.09799	3.2
267.07657	14.0
268.13260	8.9
276.12445	4.6
277.13101	1.6
278.11752	6.7
286.14407	4.0
291.11182	1.8
293.08908	1.7
296.12836	17.3
308.15024	5.9
309.08768	4.3
310.15460	8.3
314.13873	32.9
318.13565	1.6
328.15536	20.8
332.15036	4.8
346.16464	28.8
350.16104	1.7
361.11746	3.9
364.17606	8.8
369.14563	1.8
372.13498	2.1
379.12836	20.9
380.19135	1.5
390.14182	14.3
390.18066	2.3
393.14447	2.3
400.12875	1.8
408.15247	13.1
411.15451	21.5
422.17004	9.6
440.18512	2.4
442.17743	3.6
460.18649	27.4
470.20172	10.6
474.20654	4.1
478.19928	8.7
492.21298	31.8
508.21860	10.3
510.22430	13.9
573.20807	9.5
622.24286	1.7
654.26569	51.5
672.27661	100.0
673.27673	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	672.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04237	0.5
53.03941	2.5
55.01870	2.7
55.05503	2.1
56.05029	1.5
57.03433	2.5
57.17582	0.6
61.02917	3.4
61.98125	0.7
65.03951	1.2
67.04247	1.8
67.05507	4.1
68.05034	0.9
69.03089	1.0
69.03430	10.9
69.07063	0.9
69.64398	2.5
70.06595	7.9
71.04989	2.4
72.08151	1.6
73.02924	1.5
79.05483	4.5
80.05018	2.3
81.03416	6.5
81.07061	2.5
82.06591	5.6
83.04971	2.8
84.04505	0.9
84.08138	2.5
85.02907	14.1
86.09711	2.7
87.04473	2.3
91.03957	0.8
91.05479	4.9
92.04997	1.2
93.07058	4.2
94.04183	0.6
94.06577	1.1
94.41075	0.5
95.04970	13.8
95.08595	1.2
96.08135	4.0
97.02884	10.1
97.06542	2.1
98.06044	1.6
98.09665	1.1
99.04465	1.2
100.07616	61.8
103.05467	2.2
105.03426	1.3
105.04498	0.8
105.07033	2.3
105.99947	0.6
106.06568	1.2
107.04951	3.9
107.08599	0.8
108.08128	2.5
109.02869	3.6
109.06532	1.5
109.10121	1.0
110.06075	0.6
111.04451	1.2
111.08082	1.4
112.07599	0.7
112.58628	0.5
114.05507	0.7
115.05469	1.4
115.98325	0.5
117.07010	2.8
118.06561	0.9
119.04984	0.7
119.08582	1.0
120.04473	14.5
120.08092	4.5
121.02898	0.6
121.06505	33.1
122.06031	1.9
122.09679	0.6
123.04429	4.2
123.06834	0.6
123.08050	0.7
124.03966	1.3
124.07596	5.9
125.07129	2.4
126.05534	0.8
126.09158	8.4
127.03916	3.7
129.04503	3.4
129.07085	0.6
129.10216	0.7
130.02939	2.1
130.06540	1.3
131.04948	1.6
131.08556	1.1
132.04430	1.1
132.08105	0.9
133.02834	1.4
133.06491	1.4
133.08817	0.5
133.10149	0.8
134.09686	1.5
135.04466	1.7
135.08099	1.6
136.07568	4.5
136.11200	0.6
137.05980	3.2
137.08350	1.1
138.09171	2.2
139.03908	4.2
139.07533	11.0
141.05493	1.8
141.07021	0.7
143.04935	0.7
144.08063	3.2
145.04985	1.3
145.06477	4.2
146.06032	1.2
146.09641	5.4
147.05530	45.6
148.07582	0.9
149.05974	0.9
150.09216	0.7
151.03888	7.7
152.07121	0.6
154.08627	3.3
156.08157	0.8
158.06079	0.7
158.09666	0.7
159.04407	1.3
159.05565	4.2
159.08080	1.0
161.05986	1.5
161.08284	0.6
162.09239	0.7
163.03851	2.9
163.07561	1.2
164.07262	0.5
164.10716	5.5
165.05476	42.2
166.05876	0.9
166.08704	2.0
167.07106	2.0
169.06470	0.6
170.09682	1.5
171.07722	1.5
171.10400	0.7
173.05981	3.3
173.07254	1.1
177.05322	0.9
177.06697	3.0
178.08690	1.5
178.12303	1.0
180.10222	2.7
181.10966	1.0
182.09723	0.6
182.11838	0.8
183.06654	0.8
183.10249	0.6
185.07182	0.9
187.05023	3.9
187.07504	1.4
187.08867	1.1
188.07254	1.0
188.10692	2.0
189.05469	0.8
190.04958	0.7
191.07022	0.9
192.10211	1.3
193.02835	0.6
194.08168	1.2
198.09184	2.4
200.10820	1.0
201.06642	2.1
202.12299	0.8
203.08142	1.0
206.08121	4.3
206.11897	1.1
207.08990	1.5
211.08748	1.2
215.07124	2.3
216.10240	2.5
217.08267	1.1
218.24084	0.5
221.15463	1.6
222.12759	0.7
226.08658	2.3
226.12303	1.3
227.08047	0.9
228.09004	1.9
229.09720	7.2
229.15620	1.0
230.11804	2.6
233.08086	1.3
238.10703	1.0
239.08195	3.2
239.16429	0.6
244.09776	2.5
244.13481	0.9
245.10518	0.6
247.09798	0.7
248.12753	0.8
249.10590	0.6
252.10242	1.0
258.11392	0.8
259.09586	1.3
263.11679	0.7
265.10559	1.4
267.07700	9.5
267.11353	1.6
268.13315	1.4
276.12280	1.8
278.11694	1.1
285.12466	1.2
286.14395	1.0
290.13998	1.5
291.11380	1.6
296.12903	2.7
302.15063	0.8
308.15103	3.9
309.08630	5.0
310.15015	4.2
312.13446	1.4
313.20187	3.0
314.13849	4.5
328.16089	4.1
330.13345	1.3
330.16855	0.8
332.14844	3.3
340.15393	1.4
346.16455	4.3
361.11951	2.2
364.17535	6.5
372.17178	1.0
379.12869	15.9
390.13992	0.9
390.18167	1.9
391.12863	1.0
393.14755	1.8
408.15393	10.8
411.15521	23.1
412.15747	0.9
422.17148	1.4
440.18176	2.4
460.18546	3.7
470.20212	6.5
478.19635	5.8
485.77353	0.7
492.21225	4.8
493.20474	0.9
508.21655	2.1
510.22412	14.6
526.23065	2.2
535.69763	0.6
573.20734	9.0
654.26447	8.7
672.27606	100.0
673.27985	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	672.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01866	1.4
55.05500	2.0
56.05025	0.7
57.03423	1.4
58.71645	0.5
61.02925	1.9
62.22059	0.6
65.03937	2.2
67.04241	2.5
67.05491	1.5
69.03429	7.3
69.45632	4.3
70.06584	4.3
70.49629	0.6
71.04964	0.9
71.53053	0.5
72.04507	1.3
72.08157	0.8
73.02914	1.0
79.05482	2.8
80.05011	2.5
81.03417	4.9
81.07038	1.2
82.06580	10.3
83.04965	2.8
83.07352	1.6
83.72119	0.6
84.08134	2.1
85.02901	8.8
86.09703	1.3
87.04474	0.7
91.05480	2.8
92.05007	1.3
93.03397	0.7
93.07019	0.8
94.06604	0.9
95.04958	6.6
96.08124	7.7
97.02883	5.7
98.06089	0.6
99.04415	0.9
100.07613	100.0
101.07985	0.7
103.05454	1.4
104.04995	1.3
105.07030	1.4
107.04946	4.7
107.08582	0.9
108.08071	0.9
109.02901	1.8
109.06506	0.9
115.05479	2.3
117.07014	4.1
119.04963	0.6
120.04458	20.0
120.08101	2.6
121.02861	0.9
121.06485	3.5
122.06030	2.4
123.04436	2.2
123.06846	0.8
124.03979	0.8
124.07584	8.9
126.70945	0.6
127.03916	2.5
128.06189	0.8
129.04485	1.2
129.07024	0.9
130.02878	2.5
131.04944	0.9
131.08598	1.1
132.04500	0.7
132.08078	0.5
133.02844	0.7
133.06496	2.3
134.06010	1.8
134.09676	1.2
135.04408	2.1
135.08076	1.0
136.07553	3.8
137.04733	1.0
137.05994	1.8
137.08325	1.7
138.09122	0.9
139.03911	2.2
141.06999	0.9
142.06528	0.8
145.04959	0.8
145.05330	0.8
145.06487	5.8
146.04839	0.5
146.05963	1.1
146.09641	1.8
147.04486	2.0
147.05524	56.7
148.07616	1.5
149.06038	0.9
151.03891	4.9
153.05377	0.6
154.08580	0.7
157.06538	0.7
157.08858	1.5
158.09758	0.7
159.04419	1.2
159.08070	1.8
161.06012	1.7
162.05460	0.6
162.09172	1.2
163.03926	2.1
163.07532	2.7
163.09853	0.7
164.07114	0.6
164.10680	1.2
165.05472	22.8
167.07092	1.5
169.06528	0.9
170.09637	4.1
171.04410	1.0
173.05936	5.8
173.07024	0.9
174.09203	1.1
175.07466	0.7
177.05515	1.4
177.07005	0.6
182.09708	0.7
185.07196	1.8
187.07550	2.3
187.08731	2.0
188.10757	2.4
189.05524	1.9
190.05043	0.9
191.05396	0.5
191.07047	2.0
196.07484	0.6
197.05928	0.8
198.09140	5.0
200.10715	1.0
201.06628	2.7
205.08652	1.4
208.11317	1.3
209.08080	0.7
210.12802	0.5
211.08688	1.6
213.06561	1.2
215.06918	3.3
216.10194	3.7
217.10928	1.0
222.12865	1.6
226.08649	5.5
226.12347	1.7
227.09660	1.0
228.08737	2.6
229.09729	9.9
230.11807	4.4
233.08134	2.5
239.08203	5.7
240.13963	1.1
244.09694	5.3
244.13504	0.8
245.10591	1.4
247.09648	1.8
248.12889	1.0
249.06551	0.8
249.10228	0.7
250.12175	2.9
259.12045	0.7
260.10745	0.7
263.08368	0.9
265.06067	1.5
265.10681	3.0
267.07629	15.0
267.10406	1.0
268.13327	3.2
276.12302	0.8
278.11823	2.5
282.15164	1.0
291.07721	1.5
291.11346	2.7
296.12802	5.4
299.10272	0.7
309.08615	6.0
310.14374	5.3
314.13922	4.8
319.10748	1.4
328.15430	5.7
333.12442	0.8
341.11502	1.8
346.16467	5.4
361.11835	3.5
364.17389	1.0
372.13458	1.5
379.12881	25.2
390.14572	2.0
393.14374	3.0
408.15366	0.7
411.15454	32.6
422.16977	1.9
440.18152	1.4
442.17813	1.0
460.18600	4.3
474.20630	1.4
478.19794	2.0
490.20905	0.9
492.21265	6.6
508.21805	3.1
510.22296	7.2
526.22766	2.9
573.20709	11.1
654.26740	15.1
672.27643	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	672.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01860	4.7
55.05513	1.6
56.05028	2.9
57.03430	2.2
61.02914	4.8
65.03941	3.2
67.04240	1.4
67.05505	7.5
68.05015	1.8
69.03432	15.1
69.07061	2.3
69.70803	3.5
69.71221	5.7
70.06588	12.4
71.04982	3.1
72.04495	1.8
72.08145	4.0
72.29879	1.4
73.02903	2.9
73.17707	1.7
74.06079	3.0
79.05495	7.6
80.05012	4.4
81.03416	8.0
81.07053	3.0
82.06580	17.3
82.92860	1.6
83.05010	2.3
83.07365	3.0
84.04523	2.9
84.08150	6.3
85.02904	21.2
86.09697	4.4
87.04456	2.1
91.03996	1.4
91.05483	10.5
92.05026	2.0
93.07021	7.6
94.06564	4.2
95.04961	19.9
96.08115	16.5
97.02879	15.6
97.06577	1.6
98.06040	2.8
98.21523	2.7
99.04447	2.3
100.07615	81.3
103.05505	1.5
104.05035	2.5
105.07018	3.2
106.06590	1.8
107.04976	6.4
107.07348	1.4
108.08126	4.4
109.02874	7.2
109.06511	3.5
109.10175	1.8
110.06033	2.2
110.09680	2.1
111.08118	1.6
115.05470	2.1
117.05739	1.5
117.07039	6.3
119.04948	3.4
120.04475	23.3
120.08131	5.0
121.06501	49.7
122.06007	10.4
123.04445	5.9
123.06834	4.2
124.03956	2.8
124.07586	37.8
124.08398	2.7
126.09169	9.5
127.03946	3.6
128.06203	2.3
129.04486	4.1
129.07021	4.9
129.10248	3.6
130.02925	4.6
131.04959	2.4
131.08537	1.7
133.06537	2.8
133.08801	2.3
134.06010	2.2
134.09666	2.3
135.04420	3.3
135.08070	2.7
136.07573	12.5
137.05991	2.8
138.09171	6.5
139.03888	7.8
139.07530	18.9
141.05490	3.1
141.06982	2.5
145.04941	2.6
145.06453	7.7
146.09663	6.7
147.04469	3.5
147.05525	88.7
148.07588	5.3
150.09154	2.7
151.03918	7.9
154.08589	2.9
157.06584	3.0
158.09639	1.9
159.04390	2.5
159.05565	5.8
159.08043	2.5
160.07587	1.7
160.11253	2.5
161.05962	2.0
162.09232	2.2
163.03903	3.0
163.05090	2.0
163.07539	3.0
163.09920	2.2
164.10725	9.6
164.11911	1.6
165.05482	54.9
165.06906	3.1
169.06473	1.5
170.09702	5.5
171.04398	2.1
171.08057	2.4
173.05905	7.8
174.09213	4.1
177.06618	5.1
177.09174	1.6
178.08670	1.9
178.12375	1.9
180.10252	3.1
182.09602	1.8
185.07153	2.3
186.09222	1.7
187.05127	2.4
187.07506	2.8
188.07115	3.0
188.10657	9.6
189.05515	2.8
190.08656	2.0
191.07069	3.4
198.09148	8.0
199.07571	3.7
200.10788	2.5
201.06641	2.3
205.08731	2.0
206.08144	5.5
211.08661	2.1
215.07077	3.6
216.10237	18.6
216.13759	2.5
222.49762	2.1
226.08673	6.8
226.12169	7.2
228.08884	1.6
229.09726	7.6
230.11794	3.3
239.08287	4.6
240.13861	4.1
244.09700	21.3
244.13419	2.4
245.10495	4.4
247.09814	2.2
248.12903	2.2
249.06686	1.8
250.12259	2.2
265.06210	2.8
267.07675	16.2
267.10199	2.2
268.13446	6.8
276.12320	4.5
278.11810	3.6
284.14200	3.3
284.17676	5.0
286.14511	3.8
291.11362	2.3
296.12741	14.0
308.14999	3.4
309.08746	2.2
310.15118	7.3
312.13382	2.9
314.13889	25.5
328.15436	14.8
331.15433	2.3
332.14954	4.0
346.16492	27.3
364.17734	6.1
369.14368	2.8
379.12875	15.8
390.14420	15.5
408.15182	9.6
411.15500	17.5
411.88376	1.8
422.17004	7.2
440.18002	2.3
442.17789	4.3
460.18674	23.1
470.20285	13.1
474.20190	5.2
478.19678	5.7
492.21277	33.4
508.21750	10.2
510.22696	15.1
526.22968	4.5
573.21222	4.5
622.24023	2.0
654.26526	61.4
660.18622	1.7
672.27631	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	674.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01880	0.8
57.03423	1.3
59.05004	1.0
59.10004	0.4
61.02916	1.7
64.26810	0.4
65.98290	0.4
67.05503	0.5
68.02655	0.4
68.05009	1.0
69.03431	5.6
70.06590	5.3
70.56093	0.5
71.04977	0.8
71.45052	0.7
72.08214	0.4
73.02911	1.0
79.01836	0.7
79.05473	1.5
81.03416	2.4
82.06569	0.7
83.04986	1.6
84.08139	1.3
85.02902	5.6
86.09712	0.6
87.04485	1.0
91.05466	1.2
93.03439	0.6
93.05768	0.6
94.06557	0.6
95.01327	1.9
95.04953	1.0
95.07333	0.8
96.26684	0.4
97.02895	4.2
98.06062	1.4
99.04456	0.7
100.07627	2.0
101.06013	2.2
107.04970	2.4
108.04424	0.6
108.08115	1.0
109.02861	1.4
110.06040	0.8
111.04434	2.6
112.07592	2.6
114.05537	2.1
120.08109	7.0
121.08885	3.8
122.06029	0.7
124.07550	1.0
127.03886	0.8
128.07069	4.9
132.08098	0.9
134.06058	0.8
134.09671	0.5
135.04387	4.2
136.07581	6.7
137.08356	1.1
138.05478	1.1
139.03900	37.4
140.04305	0.6
142.86409	0.5
145.02869	1.5
146.09656	0.6
147.05565	2.2
148.07571	10.5
148.11209	1.0
149.08357	23.4
150.09140	3.8
151.03941	0.7
152.07100	0.7
153.05453	0.6
157.08969	0.5
158.09695	1.2
160.07600	1.3
161.08353	0.8
162.03096	0.8
162.09171	2.0
163.03888	1.4
165.05495	0.6
167.05846	0.5
168.08080	1.0
169.08829	0.5
170.09637	1.2
173.06071	0.6
174.09178	1.5
175.06284	1.0
176.04680	1.6
176.07085	3.1
176.10704	7.0
177.05499	2.4
177.07866	0.7
178.08598	2.7
179.92863	0.4
180.06557	1.1
180.10239	1.6
182.09615	0.7
185.08344	0.8
186.09145	7.2
188.07111	1.3
188.10765	1.4
189.05478	1.7
190.08685	1.7
190.12215	0.6
198.09158	2.7
199.09972	0.9
200.10678	3.4
200.13821	0.5
201.07967	0.6
201.11571	0.5
202.08641	2.2
204.06555	0.8
204.10199	1.2
206.08205	0.6
210.09232	1.5
212.07137	1.7
212.10722	1.1
214.08643	1.7
215.09528	0.6
216.06702	0.5
216.10173	2.7
217.11003	1.0
218.08157	0.9
218.11803	1.4
220.09792	0.8
224.10693	0.5
226.08638	3.0
227.09427	1.7
228.06651	0.6
228.10175	4.9
230.08138	1.3
230.11774	0.9
232.06065	0.7
232.09677	0.5
232.13399	0.6
238.08676	2.6
240.10246	1.3
242.08121	1.4
244.09705	5.8
245.10371	0.7
246.11299	0.5
248.12880	1.5
249.13611	0.8
254.08133	2.5
255.08997	0.7
256.06949	0.8
256.09653	6.1
257.10437	0.7
258.11328	1.7
260.09012	0.6
260.12906	0.9
266.08041	2.7
268.08160	2.3
268.10211	0.8
270.07706	0.4
270.11267	1.4
272.09164	2.0
273.09973	2.5
274.10693	2.6
276.12344	1.3
277.13165	1.4
278.08246	0.5
278.13876	0.9
280.09531	0.9
282.07700	1.4
284.09241	1.2
286.10773	2.4
287.11459	2.6
288.08951	0.9
288.12387	3.8
289.13367	0.7
294.07697	2.2
296.09155	1.5
298.10696	1.1
300.09009	1.1
304.11862	3.1
305.12659	2.2
306.10056	0.5
306.13333	8.5
307.14111	1.9
310.10736	0.7
314.10248	2.7
316.11792	0.8
318.13361	0.5
324.08640	1.4
326.10254	1.7
328.11942	0.8
332.11273	3.1
334.13068	0.6
338.10315	1.2
340.11694	0.6
342.09842	0.8
343.10861	0.5
344.11432	1.4
346.12735	0.8
348.09048	0.6
352.08197	1.7
354.09729	0.7
356.11282	1.2
364.13937	0.9
366.09778	0.8
370.12912	0.9
372.10452	0.5
372.14502	1.2
374.12366	1.3
384.10779	2.5
390.15634	1.0
392.14526	0.6
394.09283	0.9
402.11902	1.3
406.15094	0.9
412.10245	2.1
416.13599	1.0
418.15204	0.7
426.11807	1.1
430.11359	2.8
434.14536	1.5
444.12875	3.1
450.17596	0.5
462.13940	12.5
462.20068	0.9
463.14615	0.7
463.36691	0.5
466.17194	1.6
467.18036	1.6
468.18570	2.3
469.19403	1.6
472.87302	0.5
476.15482	2.5
480.15024	22.5
481.15546	1.3
494.16559	53.3
495.16705	2.8
512.17975	2.1
568.20831	0.5
624.19281	1.3
642.20239	56.4
643.20782	3.7
656.21802	100.0
657.22131	6.1
670.39270	0.6
674.22760	32.3
675.22986	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	675.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83697	0.3
62.79886	0.3
67.02464	0.3
67.05500	0.8
69.03400	0.4
69.83334	2.1
70.06608	0.5
82.72781	0.3
91.05479	0.4
103.96473	0.3
142.83209	0.3
159.11731	0.4
198.11148	0.4
280.03708	0.3
292.38376	0.4
301.19687	0.4
311.54831	0.4
383.15289	0.4
429.16046	0.5
439.14075	0.5
440.14505	0.4
441.19638	0.5
443.17120	0.6
453.15875	0.6
454.16653	0.7
455.13000	0.6
457.15094	0.5
467.12839	0.7
467.18039	0.5
468.14551	1.5
469.14819	7.3
470.15918	1.5
471.16772	0.8
472.17688	0.7
480.14087	0.5
481.14505	2.3
482.15878	10.9
483.16635	9.1
484.17697	2.2
485.18716	0.8
487.16159	0.9
495.16757	2.7
496.17535	5.5
497.18198	34.8
498.19165	2.4
500.17270	1.1
501.17758	0.6
510.19250	1.9
511.19858	4.5
512.20673	1.1
515.19403	3.0
528.16284	2.1
538.20734	0.8
541.17090	0.7
542.17926	2.3
555.18811	3.3
556.19409	3.3
557.20276	3.8
569.20038	0.5
570.21478	0.6
571.22052	0.5
573.23212	0.6
585.24023	0.5
596.19232	0.5
616.21344	1.2
616.30865	0.4
617.22357	0.7
629.22528	0.7
643.24139	6.2
644.24707	6.6
645.23462	1.3
657.25562	5.4
660.24341	1.0
675.26599	100.0
676.26849	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	675.377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15845	0.7
55.05500	1.3
56.96565	24.5
56.96833	0.9
59.19352	0.9
65.78915	0.7
67.05477	3.4
69.03410	0.8
69.07053	3.1
69.61717	0.7
70.06561	2.0
71.08614	0.9
71.50086	1.0
71.95224	2.0
74.97595	0.8
77.00875	1.0
79.05460	3.2
80.97394	0.6
81.03407	4.4
81.07016	2.3
82.03749	0.7
83.08628	0.8
85.02889	0.9
91.05444	1.6
93.07015	2.3
95.01891	1.9
95.04938	2.0
95.08588	2.2
97.06520	1.2
97.96811	1.0
98.97578	0.9
105.07030	2.0
107.04893	0.8
107.08582	1.3
107.86239	0.7
109.10158	1.1
110.97564	1.6
119.08527	1.7
121.10046	1.0
128.98549	2.6
129.06995	0.8
131.08493	0.9
133.01707	0.9
134.99623	1.2
146.99661	6.2
149.02306	2.3
153.02135	0.8
155.03752	2.2
159.03195	1.1
161.01189	1.1
162.63486	0.8
163.02678	0.9
165.00644	2.1
171.03299	3.7
171.04626	0.8
173.04762	2.7
173.06367	1.7
175.08012	1.0
176.11571	0.8
181.05249	1.1
183.03284	1.2
185.04791	2.4
187.06375	1.0
187.07996	1.2
189.04361	6.6
191.05960	1.2
191.07587	3.0
193.05031	2.0
193.12233	0.9
197.04767	1.2
199.06406	6.8
199.40483	0.7
201.04247	2.0
201.07903	1.5
201.09642	2.0
203.05960	3.7
203.07451	0.9
203.11217	0.9
205.07365	2.1
209.04710	1.0
211.06317	4.1
211.08156	1.7
211.13254	1.0
213.08005	7.6
213.09773	1.1
215.05841	1.5
217.07491	15.7
219.08850	1.0
219.10777	1.1
223.02698	1.9
223.06386	1.5
223.08444	3.1
225.07848	2.0
225.09851	1.2
227.05872	6.7
228.23245	1.2
229.05299	1.2
229.07437	18.5
229.09274	1.4
231.09006	16.7
231.11218	1.3
237.04202	1.4
237.07890	2.5
239.11366	1.1
240.09050	1.2
241.07475	4.8
243.08969	9.4
245.06947	5.2
247.08521	18.2
251.11461	1.4
252.08992	2.9
253.11107	1.2
253.56038	0.9
254.10542	0.9
255.05185	0.8
255.09044	17.2
257.10431	1.3
259.08447	1.5
261.10098	5.0
264.09283	1.2
267.08966	2.8
267.15869	1.3
268.16055	2.0
269.12546	3.6
273.07437	1.0
273.10092	11.9
278.10553	1.4
279.08884	0.9
280.09787	4.1
281.10333	1.1
281.63184	0.9
285.10092	4.8
290.10434	1.2
296.11646	1.5
298.10709	1.2
307.15521	1.0
319.15665	2.0
321.18872	1.1
331.15573	20.1
337.16653	3.4
347.15121	2.5
349.16754	100.0
350.17209	1.7
355.17715	0.9
365.12036	0.9
365.16370	14.2
367.17874	72.3
368.18240	1.0
372.17975	4.0
383.17377	22.8
386.09222	1.0
390.19525	15.5
401.18256	1.2
404.10693	1.0
406.18854	4.0
460.27948	1.4
474.14450	0.8
477.27954	1.2
478.28470	1.5
657.36078	2.0
675.37543	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	675.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.5
55.01838	0.7
55.05475	0.4
57.03387	0.4
58.99813	1.4
61.38327	0.4
67.05441	1.5
69.03380	0.8
69.07010	1.3
70.06554	0.9
77.00911	6.3
79.05503	2.1
81.03361	1.1
81.07056	1.8
83.08569	0.6
84.08083	0.4
85.02869	0.7
86.16697	0.5
91.05417	1.3
93.06975	1.5
95.01956	5.1
95.04892	0.7
95.08546	1.1
97.02829	0.6
97.06476	1.1
97.10114	0.6
98.21513	1.1
105.07039	2.6
107.04951	4.4
107.08520	1.3
109.06451	0.5
109.10104	0.9
115.02358	0.7
117.06958	0.5
119.08517	1.5
121.06448	0.9
121.10097	0.6
123.11616	0.4
129.03920	1.2
129.06963	0.4
131.01825	0.8
131.05504	0.9
131.08542	0.8
133.03419	0.8
133.10100	0.7
135.07977	1.4
141.03922	0.6
143.05487	0.7
143.08464	1.2
145.10065	0.4
147.04944	1.7
147.11612	0.5
149.06532	1.0
153.03902	0.5
155.05444	0.5
157.03328	1.1
157.07066	0.7
157.10056	0.6
159.04977	0.8
161.06487	1.2
163.11090	0.6
167.05515	0.6
169.03459	0.5
169.04990	0.3
169.07071	1.0
169.10107	0.5
171.04926	1.6
171.11629	0.7
173.06625	3.5
175.04482	0.5
175.08090	1.2
179.05441	0.5
181.07051	1.0
183.04962	0.8
183.08572	1.1
185.06552	1.3
185.10197	1.4
187.08182	3.6
189.06029	0.7
191.07625	3.1
193.07066	0.8
193.10596	0.4
195.04959	0.4
195.08684	1.1
197.06656	0.7
197.08286	0.5
197.10150	1.0
199.08194	2.8
201.07805	0.6
201.09731	5.5
203.07518	0.6
203.09184	0.9
203.11258	2.7
205.07201	0.7
205.09151	1.9
207.04977	0.5
207.08661	1.7
209.06453	0.8
209.10176	0.6
211.08157	3.2
211.28549	0.4
213.09741	4.6
215.07542	0.4
215.11319	1.9
217.09068	0.6
219.08598	1.0
219.10722	5.2
221.10324	3.2
223.08101	1.2
223.11629	0.7
225.09692	6.1
227.11288	2.5
229.09193	3.7
231.08591	0.4
231.10730	5.4
231.14240	1.9
233.06517	0.4
233.10077	0.5
233.12308	0.9
234.07457	0.4
235.11855	0.8
236.11441	0.4
237.09732	3.6
239.11276	16.7
241.09209	0.6
241.12831	1.0
243.10777	19.2
245.06740	0.5
245.12326	2.1
247.10211	1.4
249.09724	1.5
249.13327	1.0
251.11249	1.3
252.08409	0.5
253.12628	1.9
255.10648	2.2
257.12314	17.5
259.08032	0.5
259.15491	0.5
261.09509	0.5
261.11847	1.4
262.10529	0.9
262.12869	0.9
263.11191	1.0
265.12726	0.8
266.12405	1.3
267.10776	2.8
267.14554	0.6
269.12238	1.1
271.13690	0.8
273.13406	0.5
275.11386	0.8
275.14801	1.0
279.10880	0.8
279.14273	1.6
280.11478	0.6
281.12302	1.4
285.16626	0.5
287.15005	0.7
289.12842	1.0
289.16367	1.0
291.14313	0.6
293.16000	3.0
295.15329	0.6
297.12045	0.7
297.15518	0.9
301.16406	1.1
302.13583	0.5
303.18109	1.3
305.19363	0.4
307.13898	1.2
307.17215	0.5
311.17285	2.2
313.16461	15.8
314.16699	0.6
321.19180	0.8
323.21088	0.6
329.15771	0.4
331.17535	81.5
332.17856	1.9
336.17606	0.5
349.18600	100.0
350.18823	2.0
354.19125	4.3
367.19662	68.9
368.19907	1.5
372.20178	5.7
383.17416	0.4
390.21274	9.1
431.19092	0.8
463.27051	0.6
537.92786	0.5
621.36487	0.7
639.37354	9.1
657.38477	16.3
658.39063	0.6
675.39716	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	676.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.05496	0.4
57.03391	0.6
61.02884	1.2
67.05489	0.9
69.03429	4.1
69.28381	3.9
70.06540	1.6
71.04948	0.5
71.15005	0.3
72.08109	0.7
79.05453	1.6
81.03413	2.0
81.07021	0.7
82.45326	0.4
84.08093	1.0
85.02906	6.3
85.06535	2.6
86.09657	1.2
87.04415	0.8
91.05447	1.3
93.06988	0.8
94.06579	2.4
95.04906	1.2
96.08073	0.6
97.02889	3.0
97.06473	0.5
98.21480	0.9
98.97516	0.6
105.06986	1.7
107.04968	2.1
107.08562	0.7
108.08057	0.6
109.02862	2.2
109.06473	0.6
110.06045	4.1
110.09555	0.5
110.22630	0.4
112.07539	0.5
116.98576	0.8
117.06982	0.9
118.89201	0.4
119.04900	0.5
119.08537	0.5
120.08012	1.3
121.06448	1.2
122.05997	1.0
123.04380	0.8
123.06806	2.3
124.07590	3.8
127.03877	1.4
129.10182	0.8
131.07043	0.7
131.08539	0.5
131.35808	0.4
133.06442	1.8
134.06032	0.4
134.09584	1.4
135.04410	4.7
136.06680	0.5
136.07567	5.6
137.05923	0.9
137.09578	0.5
138.09088	1.1
139.03844	0.8
140.06995	1.1
141.07826	0.8
145.04887	0.8
145.10078	0.5
146.09602	1.0
148.07515	0.8
148.11061	0.5
149.05994	0.5
149.08287	1.3
150.05559	0.4
150.09099	1.0
152.10632	0.5
154.08553	1.3
158.09666	0.4
159.08015	1.0
160.11195	0.5
161.05940	1.6
161.09578	0.8
162.09151	2.6
165.05482	2.1
167.07036	2.8
167.09482	0.9
170.09807	0.5
174.09047	1.3
176.10672	1.3
180.10197	13.0
186.09067	1.7
187.07547	0.5
188.07030	0.6
188.10716	1.1
190.08562	0.7
194.11739	0.6
197.09613	0.4
202.08597	1.0
202.12195	0.8
204.10234	2.4
204.13841	0.5
206.11745	0.5
211.11163	0.6
214.08655	1.2
214.12254	2.8
215.06912	1.9
216.10184	0.9
216.13939	1.0
220.09554	0.5
222.11163	0.8
228.10179	0.4
228.13844	1.1
232.09695	8.1
232.13260	4.3
233.10060	0.5
234.11218	2.8
234.14821	1.9
238.12222	0.6
239.10687	0.5
246.11397	0.5
246.14694	0.6
250.10747	19.5
251.11247	0.9
256.10812	0.6
256.13297	3.6
258.14975	0.5
264.12210	2.8
266.11615	0.8
272.12845	1.4
274.14420	2.9
284.12827	7.7
302.13864	19.2
303.14185	0.6
315.10574	0.5
316.11432	0.6
316.15347	1.9
320.14917	20.7
321.15091	0.5
334.16483	7.8
352.17532	100.0
353.17780	2.2
443.15286	2.3
444.15570	3.9
482.18344	0.6
496.21558	0.9
514.22968	15.1
545.49872	0.4
618.82214	0.5
658.25824	0.6
676.25104	17.7
677.24750	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	676.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33472	0.4
51.44473	0.4
53.03944	1.1
55.01865	1.1
55.05502	1.0
56.96562	1.1
57.03432	1.8
61.02929	1.9
65.03938	0.7
67.05507	2.4
69.03430	5.3
69.07066	0.9
70.06597	3.3
70.23916	0.3
70.95673	0.5
70.96005	0.9
71.04985	1.4
72.08150	1.1
73.02912	1.2
76.40079	0.4
77.03964	0.3
79.05492	3.4
80.04996	0.4
81.03421	4.5
81.07072	1.3
83.04977	0.6
84.04510	0.8
84.08141	1.5
85.02912	10.2
86.09705	1.3
87.04456	1.4
91.03955	0.9
91.05494	2.7
93.07038	2.0
94.06571	2.5
95.04980	2.8
95.08591	0.7
96.04475	0.5
96.08110	0.7
97.02889	4.8
97.06515	1.5
98.97594	1.4
99.04445	1.0
100.07665	0.5
103.05463	1.1
105.07039	2.6
106.06550	0.5
107.04964	7.1
107.08594	0.8
108.04508	0.7
108.08107	1.0
109.02884	3.1
109.06521	1.0
109.10145	0.5
110.06047	4.8
110.09692	0.6
111.04446	0.7
112.07577	0.8
115.05489	0.4
116.07095	0.5
116.98634	1.4
117.07024	1.5
119.08614	0.8
120.08108	2.0
121.06476	2.0
122.06038	3.0
122.09668	1.2
123.04424	1.3
123.06811	2.9
123.08070	0.6
124.04001	0.6
124.07590	3.6
125.02390	0.5
127.03915	2.6
128.98592	0.7
129.10257	0.5
131.04948	0.8
131.08574	1.2
132.08096	0.5
133.06491	3.3
133.10101	0.5
134.06000	0.7
134.09657	2.0
134.99648	0.7
135.04427	4.8
135.08069	1.0
135.11688	0.4
136.07590	6.1
137.05974	1.8
138.09138	1.4
139.03909	3.2
140.07050	3.2
141.05534	0.4
141.06894	0.7
141.07935	0.9
143.08533	1.1
145.04942	1.3
145.06482	0.5
146.06052	2.3
146.09659	0.9
146.99603	0.6
147.04390	1.0
147.05478	0.7
148.07561	1.2
149.06015	1.3
149.08366	1.2
150.09129	1.7
151.03908	1.7
152.07098	0.5
153.05481	0.7
154.08662	1.8
158.09686	0.5
158.99687	0.8
159.08057	1.1
160.07574	0.7
160.11288	0.5
161.01341	0.4
161.05995	2.1
161.09579	0.6
162.05505	0.6
162.09161	3.7
163.03888	0.6
163.07553	1.1
164.07056	0.8
165.04260	0.5
165.05507	6.1
166.05840	0.5
166.08749	0.7
167.07053	5.5
167.09399	0.5
169.06389	0.5
169.10167	0.4
170.09644	0.4
172.04015	0.9
172.07600	1.0
173.08365	0.5
174.05463	1.0
174.09169	0.9
175.14781	0.5
176.07129	0.5
176.10696	1.3
177.00752	1.0
177.05513	2.0
178.05228	1.4
178.08719	0.6
179.04167	1.3
180.10205	15.1
182.03658	0.5
186.04901	0.5
186.09184	2.0
186.12717	0.8
187.05901	0.4
187.07521	0.6
188.10690	1.8
189.09177	0.5
190.05046	0.6
191.04218	0.7
192.04938	0.5
192.10164	1.1
193.12282	0.8
195.06470	0.6
198.04913	2.8
200.04721	0.6
200.10626	0.9
202.08644	1.1
202.12288	1.0
204.06570	0.9
204.10271	2.6
204.13826	1.0
205.08517	0.5
206.11748	1.0
207.05492	3.0
207.55659	0.7
209.08051	2.2
209.55693	0.5
210.12733	0.4
212.10719	0.6
213.07755	0.5
214.08621	0.7
214.12195	2.5
215.07072	0.9
216.06158	0.7
216.10246	1.0
216.13837	1.3
219.01784	0.7
221.05264	0.7
222.11220	1.1
227.09114	1.5
228.05762	0.7
228.13744	1.9
232.09705	16.4
232.13243	5.7
233.10440	0.6
234.11276	2.4
234.14880	2.7
237.02850	1.1
238.12224	1.2
246.14859	0.7
250.08186	0.9
250.10757	16.8
251.06172	1.9
251.11418	0.7
254.11655	0.6
256.13364	5.9
258.07117	0.5
258.14920	0.5
259.09805	0.5
261.09973	0.5
264.12347	4.1
266.11765	1.0
267.15970	1.0
272.06824	0.6
272.12900	1.9
274.14389	2.3
279.09998	1.6
284.12839	10.0
285.16925	1.2
288.08173	4.8
288.58426	0.8
299.10284	0.7
302.13889	22.0
316.15427	2.9
320.14929	16.2
320.18732	0.8
321.15323	0.6
334.16531	8.0
337.08505	0.5
341.11356	1.1
350.08810	0.7
352.17560	100.0
353.18015	3.5
355.09772	0.8
366.10129	1.1
373.13794	0.4
381.07608	0.5
385.10928	2.9
392.11884	0.9
399.08749	0.8
401.12390	5.6
401.62582	2.1
413.09982	0.9
482.19540	2.9
484.12418	1.7
496.21878	2.2
514.22858	15.8
515.22882	0.7
543.12988	1.6
575.15350	2.1
576.15973	0.5
658.25916	0.7
676.25134	1.5
677.20740	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	676.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01876	1.5
55.05511	4.4
55.40444	0.9
57.03434	3.9
61.02935	5.4
67.05512	6.8
69.03429	3.0
69.07049	2.0
70.06591	2.4
71.48775	1.5
73.02923	3.0
79.05489	6.4
81.03418	71.6
81.07049	6.6
83.04975	4.2
83.08623	19.6
85.02902	9.8
86.09708	1.3
91.03959	6.7
91.05488	9.1
92.75500	0.8
93.07034	5.1
95.04968	24.4
95.08593	2.0
97.02894	5.5
97.06519	1.7
97.10162	1.4
105.07033	6.0
107.04958	6.2
107.08629	2.4
109.02896	1.2
109.06518	2.0
111.07375	1.4
111.08070	10.9
114.89957	0.8
117.07001	1.2
119.04928	1.4
119.08586	8.0
121.06513	2.3
121.10162	3.6
123.04451	3.0
123.08085	1.1
127.03923	2.8
129.07021	6.0
130.06532	1.7
131.08511	5.5
133.06528	1.9
133.10124	2.8
135.04515	1.3
135.34631	0.9
137.05940	1.2
137.09612	1.2
142.07791	1.2
143.08623	0.9
144.08090	2.4
145.04985	3.0
147.08040	3.4
147.11710	6.1
149.09625	3.9
157.10120	9.6
163.03867	1.1
163.06018	6.9
163.11194	1.0
164.02327	0.9
165.05498	1.4
165.12711	1.9
175.11157	11.0
182.09900	1.0
193.12244	59.4
211.13257	5.9
218.53697	0.9
235.13168	4.2
259.13293	2.0
265.09622	0.9
267.15918	41.9
273.14880	1.4
285.16965	100.0
286.17215	2.1
301.14310	1.5
309.16940	19.0
324.11783	1.4
325.11853	1.5
327.18021	2.3
351.17908	2.9
363.17950	6.1
373.13818	2.9
375.18051	3.9
393.19089	4.0
411.20087	3.7
429.21106	10.3
484.12225	1.5
496.20782	1.5
514.22186	1.4
607.32373	0.9
676.27380	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	676.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01875	1.0
55.05510	2.6
56.05040	0.3
57.03434	2.6
60.94073	0.3
61.02929	5.4
65.03958	0.5
67.05504	5.1
69.03439	2.1
69.07071	1.0
70.06587	2.4
71.01341	0.6
71.04991	1.3
71.49084	0.7
72.08183	0.4
73.02906	2.0
75.04498	0.5
79.05491	5.1
81.03421	55.8
81.07055	6.3
82.03748	0.4
83.04977	3.0
83.08625	13.3
84.08144	1.4
84.90392	0.3
85.02908	8.2
85.06511	0.5
86.09694	1.4
91.03960	6.4
91.05488	8.2
92.05819	0.4
93.07042	4.1
95.04971	18.9
95.08625	1.8
96.05299	0.3
97.02895	5.0
97.06539	1.3
97.10158	1.4
99.04455	0.5
100.07613	0.5
103.05480	0.4
105.07040	5.4
107.04970	4.3
107.08606	2.6
109.02894	1.2
109.06541	1.8
109.10128	1.1
111.04448	2.0
111.08080	7.9
115.03973	0.3
115.05460	1.0
117.06991	1.0
119.04927	0.8
119.08590	6.0
120.08130	0.6
121.06493	1.4
121.10152	3.3
123.04447	1.5
123.08057	0.7
124.03960	1.2
125.09620	0.6
127.03915	2.9
128.06215	0.4
129.07024	4.8
131.04959	0.8
131.08565	4.7
133.02925	0.4
133.06503	1.9
133.10147	3.8
135.04445	0.5
135.08035	0.7
135.11673	0.6
136.07602	0.6
137.05971	1.0
137.09634	0.8
139.03896	0.6
142.07782	1.1
143.08577	0.4
145.04984	3.2
145.10141	1.3
147.04420	1.1
147.05508	0.5
147.08035	1.7
147.11699	4.9
149.09628	2.9
151.11182	0.6
153.05469	0.5
157.10139	8.0
159.08047	0.5
161.05937	0.4
161.09663	0.5
163.03920	0.4
163.06039	7.2
163.07449	0.8
163.11180	0.6
165.05560	0.5
165.11440	0.3
165.12767	1.4
167.07089	0.4
175.11200	9.1
189.05441	0.7
189.12730	0.9
193.12250	50.0
194.12582	1.0
207.13811	0.4
210.93880	0.3
211.13304	4.5
217.12148	0.4
235.13266	2.7
236.24190	0.3
241.04738	0.5
249.14854	0.7
253.14250	0.6
259.09695	0.5
259.13287	1.6
263.21506	0.4
267.15924	29.8
268.16156	0.7
271.11328	0.5
273.14853	1.5
285.16971	100.0
286.17267	2.1
298.07327	0.4
299.18488	1.1
301.14297	1.0
309.16956	14.6
313.11911	0.7
317.15927	1.1
319.15524	0.6
325.11365	0.5
327.17960	3.0
351.18112	3.3
363.18082	5.6
373.13867	1.5
375.18106	2.6
393.19031	3.1
411.20334	2.1
429.21271	2.6
443.14999	0.4
484.12338	0.9
490.50076	0.4
676.25397	1.7
691.34479	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	677.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84424	0.2
69.33956	2.6
70.06593	1.1
88.07625	1.4
102.09193	1.0
120.10130	0.3
149.02367	1.5
149.05995	0.3
185.04227	0.3
193.04994	2.9
256.26361	4.5
277.08954	33.9
421.13074	0.4
448.30692	0.5
509.63434	0.3
585.32251	0.6
677.37170	100.0
677.53394	5.5
678.37390	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	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57751	0.9
53.03939	2.0
55.01867	1.4
55.05515	11.5
57.03441	6.6
57.07065	2.2
61.02922	16.6
65.03934	1.5
67.05504	67.1
69.03421	2.7
69.07060	12.6
70.56592	3.5
71.04987	2.3
71.08629	1.1
73.02910	5.6
75.04507	1.7
79.05495	36.9
81.03416	2.8
81.07057	75.7
83.04980	2.0
83.08607	8.0
85.02905	17.6
85.06527	2.6
91.03416	1.7
91.03957	16.4
91.05486	19.8
93.07043	51.5
93.78313	1.0
95.04963	4.0
95.08610	61.8
97.02895	9.9
97.06532	3.5
97.10160	4.4
99.04411	1.5
99.08091	2.3
105.07030	13.8
107.08595	33.8
109.06512	1.3
109.10162	37.4
111.08083	3.1
113.09630	1.8
116.06202	1.0
117.07008	8.3
119.08585	15.5
121.10146	34.8
123.08053	2.3
123.11713	17.5
125.09604	2.3
127.03917	6.5
129.06961	1.2
131.08557	17.6
133.10127	13.1
135.11691	26.5
137.09637	2.9
137.13258	7.2
139.11119	1.6
145.04970	7.6
145.10132	16.0
147.11678	10.4
149.09648	1.7
149.13260	20.6
151.11211	2.7
151.14748	2.6
159.11685	13.1
161.13257	12.2
163.06027	10.1
163.11159	2.3
163.14813	14.3
165.12755	3.2
171.11578	1.0
173.13254	16.2
175.14784	3.1
177.12688	2.3
177.16426	5.3
179.14391	2.1
187.14807	9.3
189.16336	1.1
191.14357	2.0
201.16380	3.6
205.15932	1.3
215.17978	1.8
233.22685	3.2
243.21074	32.6
261.22131	100.0
262.22433	2.5
263.23529	1.4
279.23108	5.2
315.89780	1.0
317.24823	2.7
335.25806	33.2
353.26892	36.1
361.68710	1.0
369.24017	1.0
387.25427	1.2
462.86383	1.1
479.30145	1.5
497.30756	5.0
677.31421	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01865	1.8
55.05513	18.6
56.96556	1.9
57.03435	8.9
57.07071	11.1
61.02930	18.1
67.05504	80.6
69.03418	3.8
69.07063	27.7
70.84032	3.6
71.04989	3.0
71.08622	5.6
73.02909	8.6
79.05489	19.1
81.03417	2.5
81.07054	100.0
83.04980	2.1
83.08618	23.4
85.02898	20.1
85.06518	4.7
85.10175	4.6
85.46781	1.6
91.03954	17.3
91.05473	18.5
93.07035	27.7
95.04961	4.8
95.08607	80.3
97.02901	10.3
97.06530	8.6
97.10155	14.4
99.04465	1.8
99.08086	6.4
105.07018	13.7
107.08591	18.1
109.10155	43.4
110.10465	1.7
111.08057	4.9
111.11703	5.3
113.09591	1.8
113.70844	1.8
118.15601	1.6
119.08589	17.6
121.10152	24.2
123.11694	26.3
125.09642	3.1
125.13273	2.1
127.03915	7.4
131.08594	2.7
133.10139	17.8
135.11682	12.4
137.13260	7.8
139.11099	2.1
141.12741	3.9
145.04958	10.0
147.11678	12.3
149.13240	12.9
151.11142	2.0
151.14781	7.4
153.12730	2.6
155.14314	3.8
156.03564	1.8
161.13239	13.2
163.06032	10.5
163.14841	11.9
165.12746	2.6
165.16425	11.3
173.13312	2.0
175.14786	9.1
177.16283	2.5
179.14267	2.3
179.17966	7.2
189.16315	5.2
197.44377	1.6
203.17879	2.6
217.19403	1.8
245.22649	70.1
263.23700	92.5
265.25183	1.9
337.27353	75.5
355.28412	6.6
499.32492	5.9
633.78442	2.1
679.34332	2.9
689.81757	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	679.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03846	0.4
55.01820	0.7
55.02059	0.4
55.05437	0.8
55.05675	0.5
56.96477	1.2
56.96730	0.5
58.99799	0.8
63.24100	0.3
63.81727	0.3
67.05405	3.3
67.05797	0.6
69.03367	0.6
69.06970	1.4
69.28171	0.8
69.28566	3.0
70.06517	0.7
71.08538	0.6
77.00804	3.7
79.05389	2.6
81.03305	1.7
81.06941	2.3
83.04909	0.6
83.08533	0.6
85.02794	1.0
91.05468	2.0
93.06925	2.3
95.01938	2.7
95.04850	1.5
95.08589	1.9
97.02815	0.6
97.06403	1.2
97.10057	0.8
99.08030	0.5
103.02360	0.5
105.07024	2.3
107.04939	1.7
107.08475	1.5
109.02754	0.4
109.06445	0.5
109.10156	1.9
111.04376	0.4
111.07968	0.5
115.02312	0.5
117.03922	0.4
117.06931	0.8
119.08591	1.7
121.06325	0.4
121.10081	0.8
123.07956	0.7
125.09586	0.4
129.03886	0.5
129.06941	0.6
131.08455	1.0
133.03349	0.5
133.10011	1.1
135.05939	0.3
135.07944	0.6
135.11618	0.3
137.09494	1.1
139.11031	0.3
141.03766	0.4
141.84499	0.4
143.08492	0.5
145.06383	0.4
145.09999	1.1
146.99515	0.4
147.07997	0.4
147.11623	0.6
149.09514	0.8
151.07483	0.4
151.10997	0.4
157.10025	0.5
159.04904	0.4
159.11598	0.5
163.03908	0.8
163.11203	0.4
165.12677	0.6
167.05475	0.7
169.07137	0.4
171.05005	0.6
171.08624	0.4
171.11658	0.5
173.06599	2.6
173.11650	0.8
173.13173	0.8
175.08075	0.7
181.06969	0.8
183.05106	0.3
183.08595	0.8
185.06436	1.1
185.10066	0.6
187.03917	0.4
187.08121	1.7
189.04289	0.6
189.07584	0.4
191.07677	2.4
193.06987	0.7
195.08571	1.3
195.13882	0.4
197.06564	0.6
199.06311	0.6
199.08031	1.4
199.11644	0.8
201.09726	5.8
203.07507	0.8
203.11246	0.8
205.09105	1.5
205.12639	0.5
207.08643	0.5
209.10161	0.5
211.08138	1.9
213.07881	0.4
213.09714	5.4
215.11200	1.6
217.07381	1.3
217.09145	0.5
217.12753	0.5
219.08739	0.6
219.10759	3.9
221.10132	0.7
222.09773	0.4
223.08104	0.5
223.11717	0.7
225.09755	3.8
225.13165	0.4
227.11137	1.4
229.07349	0.5
229.09229	2.6
229.12654	1.0
231.10808	9.0
231.14262	0.7
233.06604	0.6
233.10117	0.5
233.12148	0.5
235.11674	0.4
236.11253	0.8
237.09767	1.6
237.13075	0.5
239.11269	4.7
241.07431	1.2
241.12836	1.9
243.10785	13.9
243.14452	0.5
245.12277	0.8
247.08177	1.2
247.10394	0.5
249.09798	0.5
251.14862	0.4
253.12784	1.1
255.10736	1.8
255.14264	0.6
257.12350	5.4
259.08578	2.7
259.11069	0.5
261.11829	1.7
261.16895	0.3
265.16531	0.4
266.12350	0.9
267.10941	2.6
267.13568	0.6
269.12131	0.8
269.16037	1.2
271.08453	0.6
277.09714	0.4
277.12750	1.3
277.16208	0.8
277.98163	0.3
279.18060	0.5
281.12155	0.7
285.16870	0.6
290.13181	0.5
291.19690	2.9
292.19785	0.4
292.79266	0.3
293.21045	0.8
295.14011	0.9
295.17465	2.9
297.11069	0.3
297.16766	0.6
303.17996	0.5
305.19485	0.5
309.15732	0.5
309.19138	0.6
313.18860	2.2
315.18042	7.8
321.19208	0.4
323.20642	0.4
325.22052	0.5
333.19083	41.0
334.19376	1.0
335.19196	0.4
341.21603	0.4
349.16782	3.3
350.17050	0.6
351.20157	100.0
352.20395	1.9
353.20154	1.5
356.20676	3.1
365.21182	0.4
367.17969	5.2
368.18173	0.6
369.21231	43.7
370.21356	1.1
371.21002	0.5
374.21762	7.6
385.18970	4.2
392.22784	6.9
417.20767	0.5
435.21548	1.9
453.22879	1.2
499.33966	0.6
527.19696	0.8
559.24438	2.0
625.39728	0.7
635.38678	0.4
643.40521	8.5
643.50647	0.5
661.41650	11.2
661.52136	0.6
679.42401	14.6
695.40149	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	679.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01871	0.5
55.05500	0.8
56.96559	0.5
57.03404	0.7
58.99849	0.6
62.43318	0.4
67.05495	3.3
69.03423	0.4
69.07062	1.3
70.06591	0.4
71.05000	0.4
73.02880	0.5
77.00908	3.7
78.52256	0.4
79.05475	1.5
81.03405	1.5
81.07048	1.5
83.04985	0.9
83.08602	0.9
85.02898	0.7
91.05467	1.4
93.07034	1.2
95.01959	3.1
95.04953	1.5
95.08573	1.5
97.02869	1.1
97.06516	0.9
97.10197	0.6
97.80804	0.4
103.02409	0.5
105.07030	1.6
107.04936	1.6
107.08601	1.0
109.06496	0.7
109.10141	1.4
115.02458	1.0
117.07028	0.5
119.08583	1.3
121.10176	0.6
123.08067	0.5
123.19403	0.5
131.08531	0.6
133.03439	0.5
133.10109	1.1
135.08052	0.6
137.09650	0.6
145.10118	0.8
147.05119	0.5
147.11668	0.5
151.11218	0.6
155.05548	0.5
159.05026	0.5
163.03941	0.8
165.05458	0.8
165.12767	0.6
169.07147	0.6
171.05064	0.5
173.06557	1.4
173.11780	0.5
175.08243	0.6
181.06998	0.5
183.08672	0.8
185.06639	1.1
187.08121	2.5
191.07690	1.9
193.46574	0.4
195.08604	0.5
199.08192	1.6
201.09729	5.5
203.07549	1.0
203.11368	0.7
205.09213	1.2
207.08698	1.1
211.08162	2.0
213.09702	5.2
215.11333	0.9
217.07370	0.5
217.09213	0.6
219.10750	4.5
221.10162	0.8
222.09807	0.5
223.08104	0.7
223.11748	0.8
225.09723	5.2
227.11278	1.3
229.09242	3.4
231.10757	9.4
231.14307	0.9
233.12288	0.5
236.11427	0.4
237.09732	1.2
239.11255	4.8
241.12875	1.8
243.10789	15.1
245.12343	0.8
247.10201	1.2
249.09712	1.3
251.11310	0.7
253.12852	0.8
255.10675	1.1
257.12344	5.1
259.08710	0.6
261.11887	1.8
263.11252	0.8
266.12469	1.4
267.10852	2.3
269.15997	1.1
277.12912	1.0
277.16501	0.8
281.12317	0.7
291.14542	0.5
291.19623	0.8
295.14224	0.8
295.17642	2.0
303.17877	0.8
309.18982	0.6
313.18881	1.0
315.18002	7.0
323.20718	1.3
325.22238	0.8
333.19092	37.5
334.19244	0.8
349.16858	0.6
351.20163	100.0
352.20361	2.5
353.20071	0.7
356.20645	2.1
365.21686	0.5
367.17892	1.0
369.21231	44.6
370.21579	0.9
374.21829	6.5
385.18842	1.3
392.22891	5.8
559.23865	0.8
577.16113	0.4
628.27478	0.5
641.76038	0.5
643.40527	11.5
653.11853	0.5
661.30566	0.8
661.41656	14.8
679.32501	2.9
679.42029	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	680.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	19.3
56.96558	9.4
62.21126	6.6
64.58886	7.6
65.71598	7.8
67.05498	49.3
69.03414	9.5
69.07056	30.9
70.06574	20.0
71.04987	9.7
71.49796	7.5
79.05505	40.7
81.03407	24.6
81.07050	34.4
83.04942	8.5
83.08624	8.9
85.02904	17.1
91.05486	39.3
93.07048	29.6
95.04952	24.4
95.08591	24.3
97.02905	13.7
97.06539	11.5
105.07019	24.1
107.04957	39.9
107.08572	35.5
109.10144	19.4
117.07004	17.0
119.08566	28.8
121.10165	11.1
123.08085	19.7
125.09681	11.4
129.06998	9.1
131.08594	17.9
133.10136	11.2
135.08067	11.4
137.09602	15.2
143.08540	11.5
145.10085	16.5
147.08080	8.3
149.09608	32.0
150.52374	6.8
154.07576	7.0
157.10127	9.6
163.03897	37.4
171.11572	7.1
187.03896	17.3
199.03821	8.5
201.05421	7.0
229.07437	10.5
241.08800	7.7
249.65041	6.9
255.10123	12.3
273.18472	14.7
281.11606	14.3
291.19522	53.6
407.22018	15.6
417.20438	37.1
435.21786	61.4
453.22751	100.0
454.23044	9.4
581.00537	8.8
680.41003	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	680.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	10.4
55.05509	19.0
57.72509	9.1
61.02899	10.5
67.05504	42.9
69.07059	34.6
70.06578	18.5
71.49918	15.2
71.50280	13.7
74.36523	8.4
79.05499	68.7
81.03411	25.2
81.07056	39.0
82.32636	7.8
83.04956	14.3
85.02885	16.6
85.30770	8.1
86.09676	7.7
89.88864	8.5
91.05472	37.9
93.07053	44.1
95.04960	22.8
95.08591	27.5
97.02873	11.9
97.06559	15.0
102.45752	8.1
105.07022	42.7
107.04960	43.5
107.08582	27.9
109.10152	34.7
117.07011	16.5
119.08536	22.6
121.06544	9.1
121.10129	21.8
121.33344	7.9
123.08031	13.1
127.03897	8.4
129.06973	8.6
131.08549	14.7
133.10150	20.2
135.08037	15.3
136.08643	8.6
137.09622	20.2
147.07954	10.0
147.11630	11.6
149.09656	14.2
159.11620	10.5
161.06030	9.6
161.09657	18.5
163.03886	37.2
164.55640	8.2
173.02328	10.4
175.11195	13.0
189.11151	10.6
227.17757	11.7
255.17548	9.3
273.18570	16.4
281.11581	10.6
283.13177	15.9
291.19531	49.3
349.16525	9.7
417.20364	50.6
435.21661	80.3
453.22772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	0.4
64.68588	0.3
69.03434	0.5
70.06615	1.5
71.49225	0.5
72.08152	0.5
79.05502	0.4
81.03431	0.6
81.07080	0.3
83.04991	0.3
84.08141	1.0
85.02933	1.1
86.09721	0.9
87.04442	0.4
97.02906	0.6
100.28103	0.3
101.07225	0.4
107.04961	0.9
108.66619	0.3
110.07154	0.3
120.08114	0.6
122.00513	0.3
122.50364	0.4
127.03959	0.5
129.10289	0.7
137.08260	0.5
137.95195	0.4
146.91762	0.3
151.03925	1.1
165.05493	0.5
177.05446	0.3
185.04323	0.5
195.06529	0.3
204.06567	0.6
239.51892	0.3
240.65109	0.3
259.07935	0.5
281.79764	0.3
307.68222	0.4
347.09732	1.0
357.18921	3.4
421.13498	0.4
459.21967	0.7
478.03574	0.4
487.21863	1.5
497.35849	0.4
519.24194	29.4
520.24969	0.4
545.31677	0.4
621.26855	0.6
649.26801	0.6
681.29486	100.0
682.29376	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	681.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	0.9
69.19671	1.0
69.20078	3.8
70.06585	1.3
72.08135	0.7
72.69849	0.4
77.38931	0.4
81.03420	0.7
83.05021	0.4
84.08141	0.5
85.02911	0.9
86.14977	0.4
88.41512	0.4
91.05466	0.7
93.07076	0.6
97.02906	0.4
136.07599	0.5
157.31589	0.3
193.12245	0.4
203.05309	1.8
238.03664	0.4
242.14105	0.4
246.15033	0.9
259.08029	1.8
283.06256	0.5
283.15161	0.8
287.06778	0.4
322.21967	0.4
347.09509	1.3
357.18915	2.4
365.10623	2.7
421.13260	1.5
459.22018	0.8
487.21713	0.9
519.24176	30.2
649.18201	0.6
649.27716	0.6
658.99524	0.5
663.29004	0.5
681.29437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	2.1
53.03952	10.5
54.54992	2.2
55.01871	12.9
55.05512	24.8
55.20420	2.1
56.08017	1.9
57.03447	8.6
57.07077	58.9
58.92379	2.1
65.03949	3.4
67.05505	54.7
69.03434	45.4
69.07066	22.1
71.01363	3.6
71.04993	9.3
71.08636	42.7
71.50130	3.9
73.02926	3.6
79.05492	26.8
81.03419	78.6
81.07057	55.5
83.01360	2.5
83.04979	25.0
83.08626	21.7
85.02914	19.5
85.06543	4.3
85.10183	20.0
90.86383	2.1
91.05472	18.1
93.07042	29.4
93.07578	2.6
95.04986	9.4
95.08607	43.8
97.02887	40.6
97.03452	2.9
97.06544	8.6
97.10177	9.7
99.04442	12.2
101.02449	2.8
103.03939	2.9
105.07032	12.2
107.04958	14.2
107.08596	20.9
109.02875	25.9
109.06560	5.4
109.10161	23.7
111.04449	16.8
111.08103	4.8
111.11744	3.3
117.07053	7.8
119.08588	12.1
121.06525	4.2
121.10138	10.7
123.08098	4.6
123.11740	4.6
125.05972	2.3
125.09633	5.5
127.03934	31.9
129.05530	2.7
129.06992	3.0
131.08583	6.3
133.10138	4.8
135.08035	2.7
135.11685	17.7
137.05945	2.2
137.09674	4.3
139.11171	2.8
145.06467	2.4
145.10130	21.2
147.11720	2.8
149.09656	3.9
153.12746	20.4
163.11191	32.9
173.04468	26.6
173.09662	8.7
173.11729	3.0
181.12244	18.3
191.10689	23.4
209.11739	43.8
227.12791	52.4
239.23697	16.8
249.11670	2.2
263.12711	2.6
265.14536	3.5
275.12796	2.4
275.97562	2.1
283.15506	12.2
313.27264	25.9
350.30936	2.4
353.15955	22.0
383.27734	3.7
409.18555	6.2
427.19598	13.2
517.55737	3.1
521.38599	9.8
539.39612	7.9
546.14178	2.6
665.42645	7.5
683.43774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.9
55.01867	10.1
55.05505	14.8
57.03429	8.9
57.06807	2.7
57.07073	38.1
58.37144	1.7
67.05198	2.3
67.05508	29.9
67.39360	1.8
68.81973	1.8
69.03422	18.6
69.07075	12.6
71.04993	11.4
71.08310	2.7
71.08631	28.8
73.02916	2.0
79.05486	16.6
81.03418	100.0
81.07050	33.6
83.04974	27.2
83.08616	15.9
85.02883	6.7
85.10184	17.2
91.05492	9.2
93.07059	15.5
95.04945	6.3
95.08597	24.4
97.02884	24.5
97.06533	5.5
97.10159	8.2
98.21648	3.1
99.04462	12.2
101.02389	2.8
105.07027	7.2
107.04975	5.0
107.08609	10.4
109.02879	31.5
109.10163	16.6
111.04432	36.7
111.08102	9.2
111.08717	1.8
111.11690	2.1
113.26368	2.3
115.29333	2.1
117.07005	3.9
119.08578	8.6
121.10107	10.2
123.11667	3.3
125.02398	1.9
127.03911	22.3
129.05481	1.9
129.07042	3.1
131.08525	3.7
135.11691	19.1
145.10107	11.6
147.11589	3.0
149.09566	3.4
153.12724	22.0
163.11163	27.1
173.09589	6.2
181.12224	24.1
183.06577	4.9
189.11293	2.2
191.10669	24.9
209.11626	11.8
227.12773	51.7
239.23776	4.9
244.52985	2.2
255.23212	3.5
283.15399	26.0
301.16309	2.0
313.27365	68.5
341.26794	3.9
353.16068	16.9
427.19644	25.2
521.38275	8.8
539.39587	10.8
623.87219	2.2
665.42499	18.9
683.44019	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	684.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.6
50.02024	0.5
51.02372	2.4
55.01862	2.5
55.05509	1.0
56.96559	1.0
61.02932	0.9
67.05494	1.8
69.03429	2.9
69.07066	0.9
70.06589	6.1
71.04959	0.7
71.49712	0.8
72.08142	1.2
76.09221	0.6
79.01855	18.0
79.05481	3.6
81.03408	2.5
81.07040	2.0
83.04987	1.0
84.04527	0.7
84.08137	2.3
85.02901	1.8
86.09692	2.6
91.05466	5.6
93.07047	10.7
94.06699	0.5
95.04971	5.9
95.08611	1.9
96.05273	0.6
97.02895	5.2
97.06522	4.6
97.20726	0.5
98.97569	0.6
103.05497	2.9
104.05003	0.7
105.07043	3.4
107.04951	2.5
107.08576	1.5
109.06533	1.4
110.07145	1.1
111.01936	0.6
111.04444	0.9
111.08070	1.2
119.08524	1.5
120.04472	1.3
120.08087	2.7
121.06503	100.0
122.06873	1.6
123.04489	0.8
123.08064	2.0
125.05984	1.5
129.04459	1.9
129.10234	0.7
130.02859	0.9
131.08572	1.1
132.08124	1.3
133.06503	1.0
133.10130	0.6
134.09650	1.4
136.07610	0.9
137.05957	1.6
138.09155	0.7
139.03850	0.6
139.07549	7.1
146.09633	1.1
147.05530	10.0
147.11707	0.7
148.07555	0.6
148.11208	1.2
149.05998	2.6
149.09648	1.3
151.07533	1.0
159.05582	1.0
160.07544	3.2
161.02481	0.7
163.03889	1.1
165.05490	1.5
165.36426	0.6
167.07001	1.1
169.10168	0.8
170.09554	0.5
172.07582	0.7
174.09084	0.9
175.07631	0.6
176.07077	0.5
177.09123	0.8
178.08681	1.0
182.09578	0.8
183.05576	1.7
183.10457	0.8
184.11168	1.5
189.06699	1.6
192.10159	3.9
193.10204	0.6
194.09607	0.7
206.11760	1.0
211.08751	1.2
211.13312	0.8
213.10301	1.4
216.10051	0.7
225.10167	0.9
236.14398	1.1
238.12299	0.7
238.15971	1.3
239.07996	1.0
240.10223	0.6
242.11725	1.0
254.15471	1.0
256.13342	2.7
258.14798	0.8
259.09729	1.1
266.11899	0.6
267.11279	16.1
270.15021	1.3
280.13480	0.9
282.14896	1.2
284.12811	5.3
295.10852	3.4
296.16348	2.6
298.14252	0.8
302.10632	0.6
302.13947	1.6
308.12750	1.8
316.15356	4.3
319.18896	0.7
358.16278	0.9
374.14786	1.3
384.20737	0.7
400.20233	0.7
426.18137	1.9
428.19962	3.7
432.15625	8.1
441.24078	0.9
442.21103	0.7
444.19397	0.6
446.20728	5.3
450.16476	1.2
454.17621	34.7
455.17792	1.8
458.20825	3.0
472.18665	21.5
473.18954	0.8
486.20258	32.5
487.20505	1.6
490.19727	42.8
491.19870	1.8
504.21274	78.5
505.21698	3.9
522.22711	0.6
522.31232	1.3
604.97961	0.7
672.58337	0.7
673.39240	0.7
684.38556	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	684.38
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08504	0.6
53.03924	2.2
53.90954	0.6
55.01875	3.2
55.05512	22.6
57.03437	10.5
59.04973	1.4
61.02914	1.1
67.05508	15.1
68.85596	0.6
69.03091	0.5
69.03432	5.4
69.06746	0.7
69.07065	6.7
70.06580	0.9
71.04979	1.2
71.49623	0.9
71.50024	0.5
73.02913	0.7
79.05492	14.0
81.03419	50.7
81.07060	13.2
83.04980	5.5
83.08619	28.1
84.08111	0.8
85.02901	3.0
85.06511	1.1
86.09692	1.1
87.04457	0.9
91.05475	9.9
93.07035	7.4
95.04395	1.0
95.04969	16.5
95.08613	5.0
97.02869	2.2
97.06539	3.6
97.10170	45.2
101.09673	1.0
105.07035	8.6
107.04963	4.9
107.07898	1.0
107.08595	15.8
108.08080	0.6
109.06481	2.6
109.09631	0.5
109.10160	5.0
111.04454	1.3
111.08080	5.9
115.05460	0.9
116.48812	0.5
117.06985	2.0
119.08587	6.2
120.08085	0.9
121.06482	1.7
121.10117	3.2
122.09644	0.6
123.04385	0.9
123.08041	1.6
123.11716	0.6
125.09634	47.3
127.03909	0.5
127.69604	0.6
129.07030	6.5
131.08560	5.2
133.06465	2.3
133.10152	3.5
135.04449	0.6
135.08064	5.0
135.11673	0.8
137.09550	1.4
139.03812	0.7
142.07774	1.2
143.10652	2.0
145.10081	1.7
147.04350	0.9
147.08032	2.3
147.11678	5.3
149.09628	3.5
153.09065	4.3
153.24675	0.6
157.10118	6.8
163.03870	0.8
163.11166	1.5
165.05435	0.8
165.09070	1.0
165.12727	1.7
167.06999	0.7
171.10170	2.8
173.11691	0.7
175.07365	0.6
175.11176	6.5
187.07478	0.7
189.11223	34.0
193.12247	27.8
211.13248	3.8
223.13411	0.7
227.12781	59.1
229.14255	1.1
245.13849	84.7
246.14384	0.7
249.14917	1.4
267.15918	100.0
268.16248	1.1
285.17093	0.8
317.21332	0.9
327.19507	0.7
345.20822	1.1
363.21613	1.4
419.24277	17.2
437.25363	83.8
438.25711	1.3
455.26364	1.9
479.26437	2.6
486.39740	1.1
497.71991	0.6
504.40384	1.8
522.41443	1.0
545.27106	0.8
552.36029	0.7
563.28717	1.0
572.32007	0.7
624.97638	0.6
684.35162	3.0
705.98285	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	684.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	27.9
57.03442	7.2
57.07067	15.9
61.02933	21.0
67.05504	44.1
69.03445	5.5
69.07070	48.8
70.06575	4.1
71.08628	10.2
73.02914	8.2
79.05482	16.9
81.07053	45.5
83.08617	30.4
85.02900	25.3
85.10174	5.3
91.03951	23.3
91.05433	4.4
93.07047	24.2
95.08611	41.9
97.02891	12.5
97.06525	8.1
97.10159	30.0
99.08070	5.3
107.08599	17.2
109.10142	28.0
111.08067	5.2
111.11703	11.8
119.08493	4.3
120.39425	3.9
121.10143	46.0
123.11717	8.3
127.03871	8.1
135.11684	35.3
137.13283	8.6
139.11182	3.7
145.04953	17.4
149.13274	11.2
149.95082	3.6
151.14845	8.2
158.83269	3.7
163.06010	18.2
163.14780	6.8
177.16333	4.7
205.70686	3.6
233.22652	46.5
251.23714	100.0
269.24759	24.7
325.27393	91.0
343.28461	67.8
487.32523	7.4
531.78998	4.6
583.76221	3.8
684.35828	4.6
685.27972	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	685.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.4
55.01885	7.6
55.05511	40.1
57.03443	22.4
57.07074	58.4
58.82956	4.2
67.05505	48.9
69.03421	24.0
69.07060	14.7
69.85757	15.2
69.86166	12.0
71.04986	5.7
71.08629	39.7
76.74131	4.0
79.05498	22.9
81.03418	100.0
81.07043	52.2
83.04977	92.6
83.08630	28.4
85.02902	22.8
85.06538	5.0
85.10194	23.4
89.06025	12.7
91.05496	26.4
92.34528	4.1
93.07049	19.1
95.04950	23.7
95.08611	34.6
97.02900	16.7
97.06529	8.6
97.10182	9.8
98.20766	5.0
99.04458	8.6
105.07037	20.0
107.04968	9.7
107.08582	10.7
109.02888	11.6
109.06499	6.2
109.10152	16.7
111.04441	28.9
111.08096	9.2
119.08590	16.8
121.10122	10.3
123.11760	6.3
127.03935	10.5
129.05484	41.4
129.07005	13.7
131.08598	11.0
133.08624	9.5
133.10152	9.3
135.11621	6.6
145.10147	8.1
147.11688	20.5
149.09587	9.1
153.12718	7.0
157.10139	13.0
163.04007	6.9
163.11174	6.9
163.12650	4.1
165.12825	7.8
175.11186	13.5
181.12265	12.5
191.10666	7.2
193.12259	37.2
209.11794	6.1
211.13297	64.9
227.12836	18.2
229.14418	13.0
239.23708	5.7
267.15973	16.4
283.15332	6.6
285.17072	13.6
301.13834	5.1
313.27316	71.7
355.17715	6.3
429.20837	16.3
448.43677	4.9
505.38974	11.5
523.39880	96.6
571.17157	6.1
571.72748	5.2
653.25739	5.2
667.44025	26.2
685.44153	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	686.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90671	1.3
53.03951	3.6
55.01876	2.2
55.05514	10.1
57.03441	4.1
59.05002	6.0
61.02929	2.9
63.03212	1.5
67.05505	4.2
69.03429	5.9
70.06599	2.2
70.75706	3.1
70.76037	3.0
71.01350	5.5
71.05001	25.4
73.02924	1.6
79.05499	15.7
81.03427	5.6
81.07072	2.6
83.04980	27.0
85.02908	12.8
87.04460	1.5
91.05486	7.7
93.07043	6.0
94.06583	2.6
95.01277	1.5
95.04977	24.2
95.07380	3.2
96.08121	4.1
97.02902	6.1
97.06549	2.0
98.97576	2.3
99.04457	2.6
101.06023	72.0
103.03962	4.6
103.05461	8.3
105.07032	2.1
107.04963	100.0
108.08126	3.7
109.02888	62.0
109.06517	10.7
110.09687	8.1
111.04449	2.3
119.07069	15.1
120.08114	6.4
121.06516	16.2
123.04413	7.1
125.02367	9.3
125.05995	3.4
127.03934	5.7
129.05403	2.1
131.04941	9.8
133.02882	2.1
135.04425	71.6
136.07573	3.6
137.05983	4.1
137.08090	21.3
138.09126	10.8
139.03914	33.6
141.05515	3.6
145.04942	2.4
147.06516	8.7
148.07593	2.9
149.05980	25.3
151.03912	27.3
153.05466	12.9
154.08646	1.5
159.04419	5.8
161.06136	1.6
165.05486	57.2
166.05821	1.7
166.08656	16.8
167.07054	21.9
177.00696	1.4
177.05484	67.4
179.07013	2.9
181.08647	1.5
184.16928	1.4
191.07010	9.9
195.06537	40.5
198.89313	1.7
203.36047	1.4
209.08109	83.8
219.49716	1.4
227.09178	21.4
237.10320	3.7
239.08214	2.6
243.08618	1.6
253.09804	3.3
265.09711	6.1
267.11404	2.0
269.10251	1.8
281.09171	4.3
283.10886	3.4
293.09317	5.4
295.11752	20.8
299.09677	1.7
311.10284	6.3
313.12814	48.2
321.09198	3.9
327.09674	4.1
327.14420	7.7
339.10074	10.5
345.15448	8.2
359.12299	5.3
366.64261	1.3
371.12506	5.9
436.16876	1.7
446.16968	1.7
457.16925	4.0
464.18460	6.8
475.18307	2.7
492.17645	20.1
506.18903	2.0
524.20422	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	686.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01872	1.1
55.05518	4.8
57.03431	1.7
59.04992	2.9
61.02931	1.0
67.05508	1.8
69.03425	4.4
70.03098	3.3
70.06589	2.4
71.01346	2.5
71.05000	6.0
79.05497	12.7
81.03412	4.4
81.07050	2.4
83.04980	21.2
84.04510	0.7
84.08143	1.2
85.02905	6.8
86.09720	1.1
87.04464	1.5
91.05493	5.2
93.07054	5.6
95.01375	1.1
95.04971	20.2
95.08619	1.6
97.02892	5.0
98.21626	0.8
99.04433	1.0
101.06021	22.8
103.03953	2.7
103.05482	5.0
105.07005	1.4
107.04958	100.0
108.05254	1.1
108.08165	0.8
109.02882	31.5
109.06506	7.2
111.04455	1.6
114.13159	0.7
119.07042	2.7
121.06516	10.7
123.04443	6.2
125.02349	7.9
125.06002	2.7
127.03924	4.1
129.05476	2.6
129.10214	0.8
130.06456	0.8
131.04947	4.5
133.02866	3.1
133.06458	0.9
135.04422	33.4
137.06006	1.7
137.08084	3.9
139.03905	16.9
139.07538	1.0
140.96483	0.7
141.05484	2.2
143.07069	1.1
145.04977	1.8
147.06546	3.0
149.05983	17.5
151.03903	24.7
153.05464	9.6
159.04472	3.8
165.05479	65.2
166.05838	0.9
167.07042	18.7
177.05472	36.9
178.05759	1.0
191.07066	8.3
195.06532	28.8
209.08093	59.4
213.07581	5.7
219.66730	0.8
224.06506	0.8
227.09135	30.8
269.09885	0.9
277.10645	2.5
295.08365	1.3
295.11749	21.9
296.12366	0.9
309.13248	7.7
313.12799	25.7
327.14304	4.2
339.10815	3.3
345.15479	9.3
439.16290	1.0
457.17126	2.8
471.18570	1.2
475.18207	2.6
492.17206	1.3
506.19427	0.9
511.91617	0.8
524.19678	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	686.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
52.50036	0.9
53.03949	3.1
53.85080	0.9
55.01856	4.1
55.05515	10.2
57.03443	4.1
59.05005	5.0
61.02915	2.5
67.05500	2.8
69.03436	7.9
70.06586	1.7
70.28692	0.9
71.01354	3.5
71.04993	24.1
71.49017	1.5
73.02917	2.3
73.06562	1.9
77.03930	1.3
79.05494	18.0
81.03410	7.4
81.07056	3.2
83.04985	22.4
84.08140	1.2
85.02907	12.6
86.09686	1.6
87.04477	1.4
91.03958	1.0
91.05462	5.4
93.07053	7.2
94.06562	1.2
95.04967	24.3
95.07338	1.7
96.08154	2.6
97.02905	8.0
98.97549	1.1
99.04472	2.8
101.06022	75.2
102.06353	1.0
103.03950	3.8
103.05463	8.4
105.03394	1.9
105.07045	2.6
107.04959	100.0
108.05306	1.4
108.08147	2.5
109.02883	61.1
109.06536	9.7
109.71798	1.0
110.09657	6.1
111.04447	3.4
111.08073	1.2
119.07059	16.6
120.08102	5.3
120.75639	0.8
121.06514	17.8
123.04427	6.4
124.07618	1.1
125.02362	8.8
125.06033	2.6
127.03923	5.8
129.05478	2.2
131.04935	8.0
133.02876	2.4
133.06566	1.0
135.04422	70.1
136.07562	2.7
137.05998	2.3
137.08093	20.5
138.09117	7.0
139.03908	37.4
139.07568	1.6
141.05444	2.4
145.05009	2.7
147.06523	8.9
148.07576	1.4
149.05991	27.4
150.09154	1.2
151.03906	32.4
151.07483	1.1
153.05457	14.1
159.04414	7.6
161.06056	1.0
161.08035	1.4
163.07605	1.1
165.05484	63.6
166.08652	13.3
167.03419	1.6
167.07066	22.9
177.05478	69.2
179.07024	1.6
181.08566	1.7
191.07018	11.3
193.08633	1.3
195.06535	41.0
204.06584	1.0
209.08095	81.7
210.08493	1.2
213.07562	1.2
219.08521	1.0
227.09163	17.0
230.47981	1.0
237.10257	3.2
239.08253	1.1
251.08676	0.9
253.09807	2.6
265.09769	4.1
267.11288	1.6
269.10211	1.4
271.04819	1.1
274.40930	0.9
277.10919	1.1
279.07965	1.0
281.09219	3.8
283.10736	2.7
288.58307	1.1
293.09290	2.7
294.10281	1.0
295.11749	22.1
299.10324	1.3
309.08566	1.2
309.12985	0.9
311.10324	2.9
313.12817	49.0
321.09265	2.2
327.10077	2.2
327.14423	6.0
332.76617	0.9
339.10382	8.1
345.15359	7.5
349.19861	0.9
359.12366	6.4
371.12485	4.5
403.13730	1.1
418.17368	1.4
421.15140	1.2
446.16919	1.5
457.17270	2.7
464.18127	3.7
475.17953	2.9
489.19537	1.4
492.17593	16.1
506.18835	1.8
524.20374	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	686.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
53.03937	5.3
55.01871	3.4
55.05515	8.8
57.03434	6.3
59.05008	3.7
61.02915	4.2
66.60088	1.6
67.05509	3.1
69.03440	10.9
69.32066	1.4
69.61393	1.5
70.06590	9.2
71.01351	4.9
71.04993	17.3
71.48666	1.7
72.08150	2.3
73.02910	3.4
79.05499	15.3
81.03432	10.1
81.07044	3.3
83.04985	25.6
84.04467	1.7
84.08120	3.4
85.02913	22.0
86.09686	1.6
87.04475	2.1
91.05459	7.5
93.07055	9.5
95.04978	25.1
97.02898	8.9
97.06555	1.5
98.97597	2.7
99.04434	1.9
101.06020	53.6
103.03964	3.6
103.05474	6.1
105.07038	2.8
107.04959	100.0
107.08445	1.5
108.05276	1.7
109.02885	52.4
109.06521	10.5
111.04410	2.3
115.03939	2.3
119.07058	9.1
120.08117	2.2
121.06512	15.1
123.00780	2.5
123.04430	6.6
124.07527	1.7
125.02332	7.4
127.03948	8.7
129.05455	2.2
131.04921	7.1
133.02867	1.9
135.04422	87.0
137.05974	3.7
137.08084	22.4
138.09120	2.4
139.03911	36.0
139.07538	2.0
141.05516	3.4
145.04944	2.9
147.06503	7.3
149.05969	26.1
151.03906	28.8
151.07510	1.7
153.05475	14.2
159.04428	6.3
161.06001	2.8
161.08133	1.6
165.05479	53.8
166.05859	1.8
166.08658	2.4
167.03453	2.2
167.07053	25.5
169.04918	1.8
176.40332	1.4
177.05476	69.2
179.07077	2.3
181.08519	1.5
189.06561	4.4
191.07024	12.9
195.06526	45.0
197.98672	1.8
209.08105	91.6
213.07608	3.1
227.09154	21.2
251.09103	1.9
295.08627	2.9
295.11765	26.2
298.12866	2.0
313.12823	57.6
327.14346	8.9
339.10760	7.7
344.20721	2.0
345.15430	12.2
432.14215	1.7
457.11670	2.0
457.17114	4.2
460.04068	1.6
473.15628	2.3
474.16638	2.7
475.17996	6.1
492.16946	4.4
506.18707	2.6
524.19733	2.5
686.25446	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	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79341	1.3
53.03950	1.2
55.05321	1.0
55.05519	11.1
57.03432	12.2
57.07068	4.2
59.04994	4.4
61.02926	4.9
65.03955	1.7
67.05504	100.0
69.07064	10.3
70.56348	4.0
71.04993	4.1
71.08615	1.2
78.01936	1.1
79.05029	1.3
79.05492	23.5
81.03439	2.8
81.07059	37.8
83.04972	1.5
83.08615	9.2
85.02898	5.2
85.06516	2.9
86.02338	1.1
91.03970	1.6
91.05472	13.2
93.07043	28.4
95.04977	3.9
95.08607	27.1
96.92786	1.1
97.02872	2.6
97.06545	1.4
99.08063	1.1
105.07028	7.1
107.08595	14.5
109.10154	73.0
111.08067	3.3
117.07001	2.1
119.08574	8.5
121.10146	10.0
123.11704	3.6
125.09657	1.4
127.03904	1.8
131.08575	5.1
133.10141	6.2
135.11670	5.9
137.09660	2.2
137.13277	1.7
145.10110	6.3
146.25955	1.0
147.11707	5.0
149.13286	4.7
155.10661	3.4
159.11703	3.2
161.13246	2.4
163.14864	1.3
173.11743	18.9
173.13286	3.6
187.14873	1.1
227.12794	3.5
229.14331	71.7
243.21063	5.3
261.22134	15.8
313.27441	2.1
317.24704	2.6
335.25787	65.8
395.27911	1.4
451.22452	1.3
455.15015	1.2
489.35724	52.9
490.36426	2.0
507.36746	2.5
511.15613	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	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.05511	14.2
57.03435	12.4
57.07063	5.4
58.26784	1.7
59.04993	4.7
61.02912	2.9
67.05504	100.0
67.11892	1.4
69.03423	2.5
69.07072	9.8
69.85828	1.4
71.04984	3.3
71.34113	1.4
71.50420	2.3
77.21335	1.4
79.05489	21.3
81.03418	2.3
81.07056	36.9
83.08606	7.2
85.02898	3.8
85.06542	3.7
91.05467	13.6
92.48427	1.9
93.07052	26.0
94.21554	1.7
95.04969	3.0
95.08607	24.2
97.02872	3.9
97.10169	2.4
105.07022	7.2
107.08600	11.5
109.10155	79.3
111.08091	2.9
117.06980	2.6
119.08563	9.2
121.10123	8.5
123.11729	2.4
131.08562	6.6
133.10092	4.9
135.11703	5.7
137.09631	2.7
145.10083	4.3
147.11719	3.3
149.13281	5.3
155.10646	3.0
159.11729	5.2
163.14836	2.0
173.11777	22.2
173.13214	3.4
185.67371	1.5
227.12708	3.7
229.14339	89.1
243.21004	3.8
261.22101	17.2
335.25815	64.7
397.30670	2.0
423.55728	1.8
489.35791	39.9
507.36801	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	688.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01868	0.6
55.05500	0.8
57.03423	0.7
57.09105	0.6
60.35802	0.5
61.02928	0.7
67.05490	0.9
69.03429	3.0
69.96349	2.6
70.06589	1.9
71.05003	0.9
72.08151	0.9
76.84784	0.5
77.46677	0.5
79.05496	2.0
80.04999	0.8
81.03416	1.5
81.07032	0.6
82.06578	2.1
83.04974	1.2
83.80874	0.5
84.08144	1.0
85.02910	4.6
86.09711	1.1
89.03932	0.8
91.03926	0.5
91.05500	1.2
93.05762	0.7
93.07037	2.2
94.06580	4.0
95.04975	2.0
95.07354	1.4
95.08601	0.9
96.08138	7.8
97.02901	1.8
97.06541	1.0
98.06046	0.7
100.07661	0.6
101.06032	1.3
103.05469	0.9
106.06563	2.2
107.04971	3.9
107.07348	1.0
108.04488	9.8
108.05207	0.8
108.08111	6.8
109.02876	1.4
110.06013	1.0
110.09671	6.2
111.10038	0.5
116.04955	2.4
118.06565	0.5
119.08618	0.6
120.04475	0.9
120.08112	5.7
121.06496	0.7
122.06039	7.0
124.07593	26.7
127.03903	1.1
135.04428	0.7
136.07574	8.3
137.06036	1.1
138.09148	13.1
139.03922	1.3
139.09499	1.0
140.07074	1.9
144.04445	4.3
146.06017	11.0
147.05487	0.6
148.07529	4.1
149.06009	1.1
150.05508	1.8
150.09148	0.9
151.03912	0.9
152.07066	4.9
153.05521	0.7
154.08591	1.2
158.99626	0.5
160.03925	3.6
162.05542	1.2
165.05461	2.8
166.08646	14.7
167.08968	1.5
168.06564	12.9
169.04460	0.6
172.03931	20.7
174.05521	8.1
177.05484	1.0
178.05157	0.5
181.08899	0.6
190.04994	38.1
191.05730	0.9
192.06589	1.2
198.11319	0.6
204.06560	22.4
205.06990	0.8
206.08128	8.7
206.09859	0.7
209.08171	1.1
210.08649	0.6
221.10825	0.7
223.12334	0.7
225.10260	0.7
227.09190	0.7
236.09544	1.3
237.10294	0.8
238.10939	0.9
248.05447	0.6
250.11226	0.6
251.11742	2.8
252.08917	1.2
253.09735	1.1
263.08090	0.6
264.09015	1.3
265.09787	1.1
266.10248	0.7
267.11276	0.7
273.08124	0.7
279.11322	6.7
281.09341	1.1
282.09686	0.8
284.11346	0.6
287.10306	1.1
294.09698	0.8
295.10815	1.8
296.11243	0.6
297.12338	13.7
299.10477	2.5
307.10757	6.1
311.10199	1.1
313.11823	3.8
315.13461	0.6
323.10260	5.6
325.11826	54.4
326.12155	1.6
329.11386	3.1
339.09872	0.6
339.13513	0.6
341.11310	5.4
343.12897	11.8
357.14502	1.2
359.12509	2.7
360.12601	0.6
361.13531	1.8
372.13297	0.6
373.13882	7.2
452.18124	1.6
466.19739	0.9
473.20370	0.7
476.18188	3.5
493.18021	0.8
494.19211	100.0
495.19333	3.1
508.20932	4.9
512.20331	9.3
524.20581	0.7
526.21777	14.5
688.25043	0.7
689.22961	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	688.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
53.64453	0.6
55.01879	5.1
55.05515	9.0
56.96561	0.8
57.03436	7.8
57.07059	1.3
59.04992	1.2
61.02915	1.5
67.05508	12.9
69.03426	1.2
69.07067	5.2
70.06586	0.8
71.01373	0.6
71.04990	2.7
73.02918	1.4
77.03915	0.7
79.05492	18.2
81.03429	7.3
81.07054	16.5
83.01330	4.0
83.04986	7.8
83.08621	8.6
85.02911	3.0
85.06550	0.8
86.09653	0.7
91.03957	1.0
91.05486	10.2
93.07043	27.7
95.04970	7.8
95.08604	19.1
97.02891	4.6
97.06527	4.8
97.10165	2.0
99.04482	2.8
101.13284	0.6
102.05516	0.6
105.07033	7.7
107.04952	7.4
107.08595	17.3
109.06526	4.2
109.10172	3.1
111.04433	1.9
111.08061	1.8
113.06025	0.7
117.07024	7.1
119.08578	9.0
121.06529	3.7
121.10145	10.0
121.10963	1.2
123.08081	4.4
125.05975	1.0
125.09628	1.0
129.06976	1.3
130.07785	0.9
131.08557	1.6
133.10126	2.6
135.08031	2.2
135.11690	26.5
136.06219	0.7
137.06041	0.7
137.09605	0.9
139.07593	1.4
145.06406	0.9
145.10126	20.9
147.08099	1.6
153.12769	2.6
155.08545	1.0
163.11180	43.6
173.09608	2.6
179.37535	0.7
181.12213	7.1
191.10612	1.4
209.11702	4.1
227.12773	35.8
229.07468	0.6
283.15396	100.0
284.15765	1.6
305.10663	0.9
348.50403	0.6
357.67596	0.6
491.26398	74.2
492.26727	1.5
509.26770	0.7
628.26233	0.9
688.40216	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	688.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.01874	4.6
55.05515	7.4
56.96540	0.3
57.03439	7.4
57.07049	0.4
57.14934	0.3
57.32457	0.3
59.05001	1.9
61.02929	2.9
65.03896	0.4
67.05505	6.7
69.03405	0.8
69.07065	2.0
70.15632	0.8
70.16038	0.7
71.01323	0.8
71.04992	2.2
73.02898	1.1
77.03879	0.3
79.05497	11.8
81.03422	6.9
81.07053	9.6
83.01346	6.0
83.04981	7.1
83.08614	7.5
83.09367	0.3
85.02470	0.4
85.02907	4.8
85.06538	0.5
91.03934	1.1
91.04930	0.3
91.05476	6.9
93.07045	15.8
95.04969	4.8
95.08611	5.0
97.02894	3.0
97.06544	3.1
97.10126	1.0
99.04466	1.9
105.07028	5.1
107.04958	5.4
107.07916	0.4
107.08597	7.7
109.02904	0.4
109.05831	0.4
109.06522	4.5
109.10187	1.6
111.04420	1.8
111.08057	1.1
113.05946	0.3
117.07019	4.4
118.65871	0.3
119.08578	4.9
121.06509	2.5
121.10159	4.6
123.04429	0.4
123.08063	6.0
125.05953	1.1
125.09625	0.7
127.03909	0.5
129.06978	1.0
130.07733	0.8
131.04909	0.4
131.08572	2.1
133.10161	1.5
135.08055	1.5
135.10736	0.5
135.11688	7.8
137.09584	1.1
139.07489	0.9
143.08507	0.5
145.06488	0.7
145.10124	10.4
147.07993	1.1
149.09651	0.6
153.12755	1.7
155.08556	0.6
158.78958	0.3
161.09578	0.4
163.11179	17.0
173.09586	2.8
181.12254	2.5
191.10593	1.5
209.11740	4.9
227.12732	3.2
235.88359	0.3
265.14374	0.4
283.15393	100.0
284.15738	0.8
367.18338	0.4
437.86865	0.3
473.25644	0.4
478.71918	0.3
491.26395	47.2
492.26819	0.7
499.37125	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	688.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05507	3.7
56.05039	5.4
60.04240	1.2
60.04523	16.8
69.03412	1.6
69.07068	1.3
69.36852	2.9
69.37274	4.1
70.06589	5.4
70.38293	0.7
72.08154	31.0
74.06075	5.5
77.86065	0.7
81.03399	1.9
83.04960	1.0
83.06094	2.8
84.04501	63.4
84.08138	2.6
85.02898	3.2
86.09705	4.2
87.05572	2.8
93.07031	1.1
94.06552	1.0
95.04969	1.4
97.02885	1.8
97.06520	1.2
98.09679	3.1
101.07139	70.5
102.05538	13.2
106.06592	0.8
109.02871	1.0
110.09698	1.7
111.05537	1.8
112.03961	38.4
112.07627	0.9
113.07116	1.2
120.08128	1.5
122.06020	5.8
124.07587	1.5
127.12286	1.0
129.06598	39.2
129.10234	1.5
130.04999	12.5
130.06503	1.0
133.10091	1.2
136.07533	1.4
137.09642	1.1
138.09120	1.9
139.03925	0.9
139.04996	2.5
139.08638	1.8
140.07089	3.9
141.06613	1.0
147.05515	1.5
147.07645	1.5
150.05496	12.1
153.06575	4.6
155.11800	1.9
155.98431	0.7
165.06638	0.9
166.08557	1.2
166.09781	4.5
167.08157	22.5
168.06526	1.3
170.09248	2.6
171.14932	2.3
173.12857	5.3
181.06012	3.8
183.11366	1.0
184.10786	4.2
185.09172	4.0
186.08824	0.9
191.14262	1.6
194.09233	13.2
195.07666	25.9
198.08774	4.2
199.14465	2.0
201.12282	2.8
202.11864	1.0
212.10306	45.5
213.08727	4.3
218.09140	1.5
219.07695	1.0
222.08664	1.6
223.07167	2.2
230.11465	1.8
231.17003	2.1
236.10226	2.3
238.08005	0.8
238.15445	1.1
240.09782	36.1
241.10132	0.8
258.10876	10.1
264.09784	5.2
265.16769	1.0
266.15070	2.2
271.95450	0.8
281.12347	2.1
282.10739	1.4
299.13626	1.0
300.19092	1.3
305.12415	2.3
306.10773	2.4
313.15088	1.5
315.12930	5.7
323.13443	11.5
324.11774	2.1
331.16144	3.0
335.17087	0.9
341.14536	100.0
342.14764	1.4
359.15585	32.6
359.20081	1.6
386.20288	1.2
396.18381	0.8
397.87149	0.8
412.21866	3.0
414.19711	1.7
430.22885	2.4
440.21396	92.1
441.21588	1.4
458.22488	26.0
508.20325	1.0
539.28253	2.3
557.29089	6.6
688.26080	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	689.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	1.0
69.03442	1.5
71.37274	1.4
73.02909	1.7
85.02906	3.6
85.04071	0.7
87.51395	0.7
90.67133	0.9
91.03940	1.1
93.55627	0.7
97.02898	2.1
98.97612	1.5
112.89595	1.6
119.01945	1.2
127.03929	1.3
131.01811	0.8
143.01918	1.3
145.03491	1.2
145.04965	1.4
154.06058	0.8
155.01950	3.1
161.02896	1.8
165.29288	0.8
173.02972	5.8
185.02968	2.2
185.04372	1.5
189.00722	1.0
191.04065	1.1
197.03119	1.2
203.05331	3.0
215.03964	1.0
219.01805	1.5
221.05151	1.0
237.02843	1.3
245.05113	3.4
247.01472	0.8
255.03984	1.1
257.05240	1.2
263.06189	1.6
265.07895	1.4
265.58060	1.1
274.08368	1.0
275.07217	1.1
275.09955	0.9
287.06158	1.0
293.01645	0.9
305.08310	1.2
340.03989	1.0
347.08774	5.4
354.61087	0.9
362.09735	1.0
365.10501	24.7
370.05252	1.6
370.55481	1.2
378.82248	0.8
381.07565	1.0
384.56552	0.9
407.10379	14.1
437.12842	1.4
451.08505	1.0
467.13492	5.4
509.14783	3.5
527.15845	100.0
528.16376	1.4
689.21124	88.1
690.21722	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	689.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51301	1.3
69.03429	2.6
69.59762	4.1
69.60167	3.1
73.02940	2.2
80.27445	1.0
85.02903	3.2
97.02898	2.0
98.20778	2.1
98.97583	1.4
113.70708	1.2
115.22862	1.1
116.98658	2.1
119.01909	2.2
127.03936	3.4
145.04959	1.4
152.02440	1.4
155.01910	2.4
159.15022	1.1
161.01228	1.5
161.02965	2.1
170.99629	1.2
173.03008	4.4
177.00807	1.8
185.04314	3.0
185.37720	1.1
189.00769	2.8
203.05368	1.8
219.02010	1.5
235.06685	1.8
237.02911	1.2
245.05167	3.9
257.05225	1.6
263.06113	1.7
265.07883	2.3
272.06516	1.5
279.03873	2.3
281.07196	2.3
300.60327	1.1
305.08362	2.2
347.09256	6.1
353.09222	3.6
353.59354	3.0
362.09857	2.6
365.10565	26.9
407.10437	9.8
467.13724	4.4
509.14908	4.3
527.15833	100.0
528.16284	1.9
689.21094	87.1
690.21246	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	689.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44540	0.3
53.03941	0.9
54.80158	0.3
55.01869	1.2
55.05511	2.8
55.47036	0.3
57.03437	2.2
59.05000	1.1
61.02924	4.4
67.05501	5.9
69.03428	3.3
69.07070	1.9
70.06583	0.5
71.01344	0.7
71.04997	1.4
73.02909	2.3
78.83604	0.3
79.05488	4.1
81.03417	5.2
81.07052	3.9
83.04996	0.8
83.08624	2.1
85.02903	5.7
85.06538	0.7
87.04489	1.1
87.31172	0.3
91.03958	2.5
91.05475	3.5
93.07032	3.2
95.04967	3.8
95.08598	1.9
97.01685	0.3
97.02896	3.9
97.06532	2.7
97.10164	2.6
99.04453	1.2
101.02377	1.0
103.03929	0.5
105.07037	2.2
107.04944	3.2
107.08591	2.0
109.02879	1.9
109.06525	0.9
109.10154	4.0
111.04480	0.7
111.08099	0.9
115.03893	0.5
115.05437	0.3
119.08613	1.6
121.06506	0.6
121.10151	2.3
123.08060	0.5
123.11728	0.3
125.09616	3.6
127.03874	1.7
129.07014	1.3
131.08533	1.6
133.06474	0.4
133.10179	1.1
135.08112	0.6
135.11658	0.5
137.05994	0.7
137.09595	0.5
139.03911	1.1
145.04976	0.4
145.10155	0.5
147.04520	0.5
147.08032	0.5
147.11725	1.3
149.05980	1.1
149.09621	1.7
151.03922	0.7
157.10143	0.9
159.11687	0.4
163.03839	0.5
163.11246	0.6
165.05457	2.7
167.07083	0.9
171.10242	0.3
173.11810	1.1
175.11201	1.0
177.05547	1.1
185.04335	0.5
189.09712	0.4
189.11163	1.9
193.12271	1.8
199.13316	0.5
203.05222	0.4
209.08183	1.2
211.09406	1.6
211.13335	0.3
225.14978	0.5
227.12831	0.7
229.09271	0.9
229.14462	1.3
243.08459	1.9
245.13815	0.6
247.10455	0.7
253.14304	0.4
262.25671	0.3
267.12167	0.7
267.15939	1.2
269.12433	1.1
283.15283	2.5
297.67572	0.3
339.17831	1.2
398.11896	0.4
413.43265	0.4
429.17294	7.6
451.19266	1.1
501.23001	10.9
581.28656	0.4
639.29718	4.0
657.29626	1.2
671.32776	2.0
689.33496	100.0
690.33716	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	690.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03930	1.7
53.16991	0.5
55.01870	5.0
55.05511	13.0
57.03434	9.8
57.07051	0.7
59.04971	0.7
61.02919	2.7
65.03928	1.1
67.05501	20.8
69.03427	4.1
69.07062	6.7
70.06576	1.3
71.04988	4.7
71.49875	0.8
73.02888	3.1
77.03929	0.6
79.05489	26.7
80.05810	0.6
81.03414	36.9
81.07054	24.7
82.99184	0.5
83.01345	1.0
83.04507	0.8
83.04980	10.8
83.08614	17.9
85.02904	20.2
85.06535	2.2
87.04481	0.8
87.31165	0.6
91.03942	1.2
91.05473	19.2
93.07039	32.1
94.07382	0.9
95.04964	19.5
95.08602	28.3
96.39013	0.6
97.02885	6.5
97.06531	8.3
97.10162	3.6
99.04436	2.9
99.08079	1.1
103.05470	1.3
105.04455	0.7
105.07023	15.2
107.04951	10.8
107.08586	22.3
109.02864	0.8
109.06510	4.1
109.10152	5.6
111.04420	2.3
111.08087	5.8
113.06007	2.2
115.05415	1.7
116.98685	0.7
117.07009	7.6
119.08578	18.1
120.08857	0.6
121.06490	4.9
121.09349	1.0
121.10149	13.7
123.04523	0.7
123.08062	2.6
123.11703	1.8
125.05978	2.5
125.09628	1.0
127.03886	1.5
128.06235	0.9
129.06996	5.9
130.07799	1.5
131.08560	6.8
133.06474	2.0
133.10124	8.6
135.08038	2.1
135.11682	30.7
137.09616	2.4
139.07498	1.2
139.11183	0.7
142.07771	1.4
145.10115	21.3
147.08055	1.8
147.11679	9.3
149.09641	3.8
153.12683	1.2
155.08487	1.0
156.13843	1.2
157.10141	7.7
161.06044	0.8
163.03900	0.9
163.11171	43.2
164.11490	1.2
165.05550	0.6
165.12779	1.7
173.09641	1.1
175.11166	8.6
181.12196	6.4
191.10713	1.2
193.10446	1.2
193.12238	25.1
201.28136	0.6
209.11736	2.5
211.13274	34.6
227.12767	50.2
228.13141	0.8
249.14850	1.3
259.09244	0.6
267.13043	1.3
267.15924	28.7
283.15387	61.1
284.15747	1.8
285.16946	52.5
286.17374	1.4
301.16437	0.8
353.15912	1.6
373.16083	0.5
457.26129	1.2
475.26971	28.5
475.33978	1.7
476.26871	0.8
493.27942	100.0
494.28265	3.6
690.37750	0.8
690.52728	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	690.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
54.37534	0.9
55.01876	5.8
55.05516	14.1
56.96566	2.6
57.03445	12.1
59.04996	1.8
60.90056	0.8
61.02926	4.3
67.05505	19.9
69.03429	3.4
69.07069	5.9
69.94608	2.9
69.95021	2.8
71.04984	3.4
73.02911	1.0
79.05496	25.1
81.03423	45.5
81.07061	27.6
81.07543	1.4
82.03785	1.2
83.01339	5.3
83.04986	15.8
83.08622	19.0
85.02908	17.9
91.03973	1.9
91.05481	23.8
93.07047	22.1
95.04972	22.3
95.05580	1.4
95.08606	8.8
97.02893	5.0
97.06541	6.2
97.10171	2.7
99.04446	2.1
105.07029	16.7
107.04967	8.2
107.08595	11.6
109.06512	6.3
109.10172	3.9
111.04449	2.5
111.08086	7.4
113.06020	1.9
117.07040	4.4
118.34016	1.0
119.08586	16.2
121.06527	3.8
121.10150	10.5
123.08080	6.7
125.06025	1.1
125.09631	2.6
127.03919	1.2
129.06969	6.9
131.08553	10.9
133.06511	1.7
133.10129	8.7
135.08051	2.2
135.11690	7.1
137.09659	1.3
142.07800	2.5
145.10143	9.4
147.08072	2.6
147.11711	9.7
149.05988	0.9
149.09648	4.6
153.12741	2.7
157.10141	9.6
163.11183	14.8
165.12781	2.3
173.09663	3.0
175.11182	7.3
181.12285	2.3
191.10727	2.5
193.10495	1.7
193.12256	29.4
199.06372	1.1
209.11804	4.4
211.13297	45.5
217.07494	1.2
227.12787	3.5
241.07552	2.0
259.08575	1.8
265.14404	1.5
267.15927	12.1
283.15405	46.9
284.15811	1.6
285.16980	36.3
286.17441	1.4
347.15256	3.4
365.16428	7.3
383.17422	6.2
383.22226	2.2
401.23309	1.3
457.25763	4.3
475.26898	14.8
493.27985	100.0
494.28061	5.3
588.52985	1.0
644.56171	1.0
690.39459	1.2
690.98206	1.2
691.37207	4.4
695.52441	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	691.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
55.62067	0.4
57.03422	1.2
60.45070	0.4
61.02919	1.4
61.38533	0.4
63.72808	0.4
69.03432	4.2
69.16663	4.0
70.06598	1.1
71.04989	1.2
73.02905	0.8
79.05494	0.4
81.03418	2.1
83.04992	2.2
84.08147	0.8
85.02899	9.4
85.03394	0.6
86.09708	0.4
87.04488	1.2
91.03937	0.5
91.05492	0.5
95.04955	0.5
96.72042	0.4
97.02895	3.1
98.97521	0.4
99.04445	1.2
101.06017	6.2
101.32849	0.4
107.04981	2.0
109.02879	1.6
126.07873	0.4
127.03933	1.9
129.05490	0.4
129.10249	0.4
130.02803	0.4
133.02959	0.4
139.03883	0.7
145.04965	1.0
147.06485	0.5
165.05499	1.2
169.04721	0.4
177.05545	0.5
179.03238	0.5
185.04219	0.9
201.03725	1.2
227.09180	0.5
245.06328	0.8
256.07504	0.4
267.08572	0.6
273.09564	0.8
281.10074	0.7
287.10983	3.3
295.07748	0.8
297.09543	0.8
303.10303	2.5
321.11499	1.1
331.09979	22.6
345.11557	1.9
347.13068	4.3
348.13159	0.4
383.13217	0.5
427.12164	1.1
459.14728	27.0
460.15894	0.5
466.68256	0.4
469.16962	0.4
497.15958	2.0
511.17838	0.9
529.18933	9.5
530.87732	0.4
588.88788	0.5
691.24084	100.0
692.23950	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	691.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01854	0.9
55.05479	2.0
56.96566	24.6
56.96825	1.0
57.03407	1.6
59.40941	0.7
61.02870	1.4
62.05401	0.8
67.05506	4.1
69.03406	1.6
69.07056	1.1
70.56638	2.5
71.95235	2.5
79.05505	4.3
81.03404	4.2
81.07016	2.4
83.04941	1.8
83.08599	1.7
83.39849	0.7
85.02869	2.3
86.70004	0.7
91.03877	1.0
91.05437	3.3
93.06981	2.4
94.75703	0.7
95.04918	3.1
95.08577	1.8
97.02859	1.5
97.06538	4.4
97.10160	0.7
98.97540	1.1
103.00666	0.9
105.06979	2.1
107.08609	1.8
109.10151	1.7
110.97566	1.2
111.04409	1.0
111.08086	0.8
115.00642	0.8
116.98609	1.4
119.08561	1.7
121.01724	0.8
127.03856	0.9
128.98555	1.6
133.01700	2.0
133.10069	1.3
135.11650	1.6
136.11826	0.8
145.01735	0.7
145.10104	1.2
146.99597	2.3
147.03336	1.3
149.09616	0.8
155.03751	0.8
157.01662	1.4
157.10095	0.9
159.03293	1.3
161.01160	1.6
161.05986	0.9
167.03854	0.8
171.03252	3.0
173.04778	1.1
175.02795	0.8
183.03326	1.2
185.04826	2.3
187.02728	1.7
189.04245	6.0
193.12144	2.0
195.06953	1.3
197.04834	2.8
197.51158	0.7
199.06429	8.8
201.04298	2.2
201.07913	1.1
203.05899	3.9
209.04932	1.2
211.06358	2.6
211.13326	0.8
213.07961	5.1
215.05736	1.6
217.07448	14.5
219.08867	1.0
223.06360	5.4
225.07881	1.3
227.05875	3.0
229.07458	4.9
231.09007	6.3
235.06412	0.9
235.08521	0.9
237.07953	2.5
239.06013	1.0
240.06693	1.1
241.07465	20.5
243.09004	2.0
245.07019	2.7
247.08565	4.6
249.07813	0.9
251.09506	2.0
253.07420	7.6
255.09059	7.8
259.08514	33.5
261.10196	1.1
264.09027	1.3
265.07587	0.8
267.09039	3.8
267.15979	1.2
269.10547	8.2
271.08505	5.7
273.10037	6.7
276.09048	1.1
277.09634	6.8
278.08173	1.2
282.10242	2.8
283.08530	1.4
283.15454	1.5
284.15616	0.8
285.09930	3.9
287.11615	2.2
295.12241	1.1
296.09393	0.9
301.09583	1.2
311.12811	1.7
313.13141	0.9
320.31433	0.8
321.17352	1.2
329.14236	11.5
347.15298	45.3
365.16351	100.0
366.16461	1.1
370.16812	1.2
383.17404	73.4
384.17627	2.0
388.18039	5.0
401.18701	4.6
406.19070	9.9
411.20242	0.7
476.27380	1.8
494.28235	3.6
598.95270	0.8
673.36517	4.6
691.37561	51.8
692.37463	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	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.5
56.96556	1.9
57.03166	1.3
57.03435	17.2
57.07058	0.9
59.04998	1.2
61.02928	4.1
65.03935	2.0
66.84762	0.9
67.05503	24.2
69.03432	7.5
69.07065	8.9
69.32948	8.0
70.06588	1.8
71.04981	5.2
71.33888	0.8
73.02911	0.9
79.05492	25.3
80.57137	0.8
81.03417	82.9
81.07054	32.7
81.07541	1.2
83.04979	21.0
83.08620	28.7
85.02905	34.7
85.06527	2.0
86.09718	1.3
91.03946	2.0
91.05480	38.3
93.07043	21.3
95.04969	35.8
95.08605	13.4
97.02903	7.4
97.06533	8.3
97.10142	5.4
99.04504	0.9
99.08100	1.4
101.05974	0.9
105.06318	1.5
105.07030	26.3
105.88074	0.8
106.07318	0.9
107.04946	9.7
107.08585	12.0
109.02901	1.6
109.06507	7.3
109.10151	5.3
111.04440	4.1
111.08071	12.5
113.05997	4.0
115.05442	1.5
117.07008	1.9
119.08585	22.9
121.06496	2.6
121.10144	13.2
123.08066	3.5
123.11701	3.1
125.09607	1.9
127.03900	1.9
128.06105	1.0
129.05507	1.1
129.07010	15.0
131.04997	1.1
131.08568	14.6
133.06485	3.7
133.10130	15.6
135.08047	1.3
135.11697	2.1
137.09648	2.9
142.07762	3.1
145.10156	2.7
147.08043	3.7
147.11676	21.1
149.09593	7.9
151.11145	1.4
157.10136	19.8
161.13136	0.9
163.11206	2.1
165.12727	5.6
167.23491	1.0
169.07634	1.2
170.08047	1.1
171.11595	1.0
175.11172	20.2
182.56046	0.9
184.07207	0.9
193.12241	59.8
211.13286	84.9
212.13666	1.7
259.09476	1.3
267.15915	38.2
268.16321	0.9
281.15475	0.9
283.15335	1.1
285.16953	76.7
286.17316	1.3
355.17410	1.9
367.22461	3.0
369.19495	1.9
385.23489	4.6
403.24789	1.3
429.20212	1.0
433.25842	1.7
441.25937	1.5
443.92789	0.9
444.60376	0.9
459.27374	31.0
460.27994	1.7
474.70990	1.0
477.28482	38.4
495.29514	100.0
496.29672	4.7
500.16815	1.0
629.90137	1.1
639.33728	1.3
692.41034	4.1
693.39185	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	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	17.7
57.03158	1.0
57.03436	14.4
57.07068	0.5
59.04996	1.1
61.02918	3.7
61.36936	0.5
63.79479	0.5
65.03944	1.2
65.51488	0.5
67.05505	26.8
69.03427	6.4
69.07069	8.0
69.23233	2.5
69.23656	2.8
71.04990	5.1
73.02905	0.9
73.06581	0.6
79.05021	1.0
79.05492	27.2
81.03418	80.1
81.07054	31.2
83.04977	18.8
83.08619	27.6
85.02904	32.7
85.06512	2.5
85.31214	0.5
87.04437	0.7
91.03947	1.6
91.05480	39.0
92.05761	0.7
93.07043	20.0
95.04965	32.1
95.08606	10.7
97.02895	6.0
97.06523	4.7
97.10168	5.1
98.21561	1.0
99.04451	1.0
99.08076	1.5
103.05386	0.7
105.07032	26.5
107.04961	9.9
107.08599	9.3
109.02930	1.0
109.06530	5.8
109.10137	3.5
111.04443	3.1
111.08080	14.2
113.06008	3.4
115.05479	2.2
117.07025	2.2
119.04933	0.9
119.08579	24.5
119.20368	0.5
121.06535	3.0
121.09335	1.0
121.10143	11.2
123.08033	3.4
123.11726	1.5
125.09621	2.1
127.03939	1.8
127.07550	0.8
128.06212	0.6
129.07005	13.3
131.08557	16.0
133.06482	3.9
133.10135	14.9
135.08052	0.8
137.09598	2.6
142.07788	3.9
145.06520	0.9
145.10118	1.9
147.08026	4.7
147.11684	21.4
149.09618	7.8
151.07466	0.7
151.11182	0.9
152.31546	0.5
157.10133	19.7
163.11192	1.2
165.12709	3.6
175.11183	19.1
189.11264	0.6
193.12241	63.8
194.12621	0.8
211.13286	100.0
212.13680	1.8
240.75587	0.5
249.15024	1.0
267.15915	39.3
273.14975	0.5
285.16956	90.4
286.17404	1.4
355.17474	0.7
357.24219	0.6
367.22650	2.7
382.09991	0.6
385.23868	4.5
403.24893	1.2
433.25723	1.2
441.26419	1.2
459.27396	20.6
460.27493	0.5
477.28491	26.5
495.29535	70.3
496.29868	1.8
563.04816	0.6
627.82672	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	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71136	1.1
53.03929	3.9
55.01874	7.9
55.05511	34.1
56.96539	1.3
57.03423	19.7
57.07069	2.6
59.04986	4.8
61.02922	8.4
65.03941	3.2
67.05504	100.0
69.03426	4.4
69.06741	1.9
69.07069	20.0
71.01369	2.1
71.04987	7.2
71.20535	2.3
72.44973	1.2
73.02908	7.9
79.05492	41.1
79.98401	1.3
81.03413	15.1
81.07053	75.1
83.04998	11.6
83.08610	23.9
85.02896	22.0
85.06538	4.1
85.45589	1.4
86.52436	1.3
87.04455	6.8
91.03949	3.4
91.05476	29.9
93.07041	48.0
95.04966	10.9
95.08598	23.4
97.02885	8.8
97.06518	11.1
97.10172	17.3
97.95671	1.3
99.04442	1.7
99.08074	2.5
103.03962	1.9
105.07039	13.2
107.04951	5.6
107.08586	31.9
109.06509	4.7
109.10152	57.9
111.04482	1.3
111.08078	7.6
117.07002	8.0
119.08586	12.1
121.06512	3.8
121.10121	13.8
122.62563	1.3
123.08086	3.9
123.11712	6.2
125.09624	19.0
126.01094	1.5
127.03924	2.0
129.05513	6.4
129.06990	2.8
131.08578	12.8
133.10120	16.5
133.93501	1.3
135.08038	2.1
135.11678	12.4
137.09610	5.4
143.10684	2.8
145.10118	4.4
147.08098	1.5
147.11670	5.2
147.52896	1.2
149.09648	1.6
149.13237	17.9
151.11143	2.2
153.12724	4.5
155.10657	4.7
157.10146	2.2
159.11685	8.9
163.11174	10.4
165.12753	4.4
173.11743	20.4
175.11171	1.7
177.12773	7.0
181.12256	2.2
191.10686	4.1
193.12245	5.3
195.13759	17.5
199.13342	10.8
209.11681	10.9
211.13319	4.9
213.14888	2.0
227.12785	11.4
229.07672	1.5
229.14348	65.0
239.16451	4.4
267.15866	13.5
269.17477	73.0
283.15387	5.6
301.16473	22.2
313.16348	2.5
357.24207	1.7
393.26718	2.9
411.27390	6.6
423.27393	43.8
431.28064	2.7
449.28989	1.8
459.27438	1.7
477.28244	4.8
495.29504	64.9
513.23627	2.6
513.30585	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	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
53.03946	2.8
55.01875	6.6
55.05512	31.4
56.96559	1.8
57.03432	19.8
57.07075	2.9
59.04996	3.8
61.02930	9.8
64.25193	1.1
65.03934	2.9
67.05508	100.0
68.05795	1.1
69.03422	5.1
69.07072	17.1
69.78442	1.3
69.84914	2.9
69.85330	4.1
71.01373	1.5
71.04988	8.4
73.02924	6.9
79.05498	37.4
81.03424	11.9
81.07060	69.3
83.04981	9.7
83.08627	21.2
83.09117	0.9
84.42834	1.2
85.02905	18.8
85.06537	4.1
87.04460	5.3
91.03947	3.3
91.05483	26.7
93.07050	43.3
95.04980	10.3
95.08611	23.6
97.02908	6.5
97.06535	11.3
97.10165	13.0
98.21520	1.5
99.08097	3.3
102.33566	1.2
103.03948	1.6
105.07041	11.7
107.04949	4.1
107.08598	22.8
107.09312	1.5
109.06507	3.4
109.10162	52.7
111.04458	2.4
111.08080	8.5
116.04671	1.2
117.07019	8.3
119.08595	8.7
121.06535	2.6
121.10137	8.7
123.08070	3.2
123.11723	3.3
125.09625	13.4
129.05482	4.4
129.07033	3.4
131.08553	10.4
133.10124	13.0
134.06992	1.4
135.08029	1.6
135.11681	11.6
137.09589	2.1
143.06998	1.7
143.10658	2.4
144.25623	1.3
145.10144	6.3
147.08047	1.4
147.11679	4.9
149.09583	1.9
149.13272	11.3
153.12746	4.0
155.10718	3.0
157.08641	1.3
157.10117	2.0
159.11690	5.4
163.11221	8.3
165.12686	1.9
173.09569	2.8
173.11734	17.7
177.12753	3.7
181.12219	4.5
189.11237	1.9
191.10690	2.6
193.12190	5.7
195.13792	12.9
199.13319	9.0
209.11703	7.7
211.13319	2.6
212.46906	1.3
213.14861	2.4
227.12704	8.9
229.14359	54.3
229.16637	2.7
239.16432	4.0
265.14606	1.4
267.15875	9.1
269.17477	56.8
283.15451	8.3
285.17078	1.8
301.16449	18.4
323.18582	2.6
393.26340	2.7
411.27405	4.8
423.27451	33.2
477.28183	1.7
495.29517	61.9
513.30640	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	693.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92776	0.6
51.00611	0.5
54.73002	0.5
55.05499	1.3
56.96565	14.0
61.28642	0.6
67.05508	3.5
69.07069	0.7
69.83776	2.7
71.95267	1.6
74.97611	0.9
79.05494	1.5
81.03423	1.0
81.07050	2.6
83.08617	0.7
84.96017	1.2
89.06019	0.6
91.05460	1.1
93.07024	1.6
95.08591	1.5
96.40512	0.5
97.02951	0.8
97.10178	0.6
97.96818	0.7
98.97572	1.1
102.51077	0.5
105.07034	1.1
107.08595	1.0
109.10147	2.0
110.97594	2.1
115.97863	0.6
116.98627	1.1
128.87277	0.6
128.98593	5.4
129.06993	0.6
129.99368	1.2
131.00165	0.6
133.10081	1.0
141.99400	0.8
143.00171	1.9
145.10159	0.6
146.99654	8.8
148.00423	5.2
149.01212	0.9
155.03851	0.7
160.00435	2.0
161.01227	2.9
161.98364	0.8
165.00793	1.7
166.01497	1.3
169.01889	0.6
170.01237	1.0
171.02013	0.6
171.03307	0.7
172.00467	0.7
173.01245	0.7
173.04852	0.9
175.02715	0.8
178.01332	0.7
181.05434	0.7
183.03239	0.8
184.04085	1.1
185.01216	1.0
185.04831	1.3
186.02089	1.0
187.02835	0.9
187.99844	0.6
189.04364	3.2
197.01210	2.8
197.04863	1.2
199.06404	4.3
201.00755	2.1
201.04350	2.0
201.07986	0.8
202.05130	1.8
203.02249	0.8
203.05968	4.0
204.02994	1.1
209.04781	0.7
211.02936	0.7
211.06392	0.7
213.07982	1.3
215.02258	9.6
215.05862	1.5
217.03763	0.7
217.07481	9.3
219.01866	0.7
219.05370	0.8
221.04913	1.0
223.02826	0.8
223.06421	1.3
223.08464	1.0
225.04341	0.8
225.07976	0.8
227.05957	1.6
228.06700	0.9
229.03903	1.6
229.07460	6.8
229.14201	1.0
230.04611	0.7
231.08980	2.3
233.03250	0.9
238.03651	0.7
239.05888	5.6
240.06679	2.5
241.07478	2.4
243.09186	0.9
244.06177	1.0
245.06961	2.2
247.08534	5.3
257.06964	20.9
258.07764	15.4
259.08694	1.4
262.07248	0.9
269.17535	0.7
272.05743	1.3
275.08029	4.6
276.08813	12.1
280.09430	2.0
281.09396	1.8
290.06720	1.5
298.10773	0.9
298.52069	0.6
299.10565	0.7
307.15707	1.9
313.14801	1.2
313.89282	0.6
321.17169	0.8
329.14319	2.0
331.12396	0.4
331.15778	19.1
347.15317	8.0
349.16849	100.0
350.17221	2.6
351.20029	0.9
365.16287	6.3
367.17917	58.0
368.18317	0.9
370.17007	0.9
372.18503	1.9
383.12961	2.3
384.61649	0.6
385.19046	2.3
388.17807	1.6
390.14529	1.2
390.19528	17.0
391.19543	1.3
401.13815	2.8
408.20828	0.7
424.27841	1.2
496.29880	0.9
657.36536	1.6
693.33954	14.7
694.35260	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	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75898	0.7
53.03936	1.8
53.47305	0.7
55.05276	0.9
55.05513	9.1
57.03443	4.4
57.07059	2.8
61.02929	25.2
65.03928	1.9
66.06577	0.7
67.05507	54.8
68.05871	0.8
69.03417	3.3
69.07074	10.6
71.04980	2.9
71.08621	1.0
72.64199	0.6
73.02917	9.2
75.04459	1.0
79.05497	33.5
81.03429	0.9
81.07058	63.8
83.04971	1.5
83.08618	7.5
85.02904	31.4
85.06534	2.5
85.10143	0.8
87.04448	0.8
89.89614	0.8
91.03959	25.9
91.05482	17.8
93.07047	45.4
95.04958	2.9
95.08610	48.8
97.02903	14.0
97.06513	3.3
97.10153	3.0
98.20691	1.3
99.04436	2.2
99.08090	2.7
103.03943	0.9
105.07034	15.9
107.08596	34.1
109.06535	1.4
109.10162	29.8
111.08074	1.5
113.09694	1.4
115.03925	1.6
117.07011	8.9
119.07845	0.5
119.08579	13.0
121.10150	29.8
123.08039	1.1
123.11706	14.7
125.09586	1.4
127.03922	10.3
127.11163	0.8
129.07013	0.9
130.07791	1.0
131.08563	17.8
133.10146	12.5
135.10728	1.5
135.11699	25.4
137.09651	1.9
137.13258	6.6
139.11157	1.4
145.04955	12.5
145.09050	1.4
145.10120	13.3
147.11693	11.2
149.13255	21.0
151.11211	2.4
151.14842	1.7
153.12749	0.9
159.11693	12.6
161.13264	8.8
163.06023	22.2
163.11201	1.2
163.14815	15.5
165.12758	3.1
173.13255	12.2
175.14894	3.6
177.12732	2.0
177.16444	6.8
179.14279	3.2
187.14822	9.2
191.14310	1.7
201.16389	2.5
205.15858	2.1
215.17882	1.2
219.17430	0.9
233.22652	3.3
243.18536	1.1
243.21092	34.6
261.22147	100.0
262.22714	1.2
263.23746	2.4
279.23251	3.3
312.82986	0.8
335.22076	1.5
335.25815	18.5
353.26868	49.5
354.27258	1.2
497.31018	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	695.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
53.45415	0.2
55.01870	0.9
55.05518	1.3
56.96588	0.2
57.03436	1.9
57.04093	0.2
59.04998	0.4
61.02928	4.0
67.05506	2.2
69.03430	2.6
69.07054	0.5
70.40730	0.4
70.41093	0.5
71.01350	0.4
71.04992	0.7
73.02915	2.7
74.52876	0.2
79.05484	2.6
81.03422	3.9
81.07054	2.0
83.01336	0.4
83.04980	1.5
83.08607	1.2
85.02904	5.2
87.04482	0.5
87.86227	0.2
91.03960	2.7
91.05488	2.7
93.07043	2.3
93.86404	0.2
95.04974	1.4
95.08604	0.9
97.02889	3.7
97.06529	1.0
97.10196	0.2
97.30007	0.2
99.04455	0.9
101.02399	1.5
103.03940	0.5
105.07043	1.6
107.04925	0.8
107.08567	1.4
109.02890	0.6
109.06522	0.8
109.10149	0.7
110.57124	0.2
111.04438	0.4
111.08079	0.5
113.06033	0.3
113.22392	0.2
117.07043	0.8
119.08582	1.5
121.06490	0.3
121.10126	1.0
123.08079	0.8
125.06007	0.2
125.09612	0.2
126.06136	0.2
127.03917	1.2
129.07016	0.5
131.08571	1.0
133.10150	1.4
135.11699	0.8
137.09581	0.2
145.05037	0.3
145.06396	0.2
145.10146	1.1
147.08002	0.4
147.11676	0.8
149.09628	0.5
151.11147	0.3
157.10136	0.7
163.11179	1.9
173.09644	0.3
175.11240	0.6
183.06654	0.2
185.04161	0.3
193.12280	0.8
203.05357	0.3
209.11723	0.5
211.13316	0.6
243.08403	2.0
249.11021	0.3
251.12625	0.7
253.14435	0.3
267.08954	0.3
269.12497	0.3
281.04272	0.2
283.15433	0.6
285.10129	0.3
285.17172	0.2
307.15155	0.3
365.15698	0.2
369.19754	0.2
467.18906	7.2
469.20428	6.0
480.26852	0.2
523.63440	0.2
533.26752	0.3
533.34259	0.2
695.32288	100.0
696.32861	1.7
717.96448	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	695.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.1
56.96567	23.3
67.05491	2.0
69.07058	1.2
71.49901	1.2
71.95259	2.5
72.96045	1.4
74.97594	1.7
77.46149	0.7
79.05476	1.1
84.96043	1.5
85.02909	0.9
89.96311	0.7
91.05530	1.3
93.07059	1.2
97.96789	0.8
98.97572	1.0
109.10148	1.8
110.97581	0.8
116.98601	1.8
117.07009	0.9
123.08055	1.0
128.98654	1.8
133.01735	1.3
134.99573	0.9
141.02237	1.0
146.99634	4.0
153.02199	0.8
155.03780	1.2
159.03227	1.4
161.01204	1.0
165.00781	1.5
167.03870	0.9
171.03299	1.8
173.01370	0.8
173.04854	1.7
185.04858	2.7
189.04385	3.3
191.05896	1.3
193.03741	0.9
197.04939	0.9
199.06444	3.9
201.04364	1.8
203.05893	5.4
203.09439	0.8
205.07568	1.3
211.06473	1.1
213.07965	4.2
213.21843	0.9
215.05920	1.5
215.09544	1.0
217.07437	5.7
219.08992	1.0
221.06812	1.8
223.06407	0.8
225.08020	2.3
226.48988	0.9
227.05916	1.5
227.09482	1.4
229.07538	2.5
231.09016	6.1
237.07915	1.9
237.10097	1.2
239.09607	2.1
241.07458	2.0
241.11040	5.1
243.09064	7.0
245.06941	1.9
245.10686	1.5
247.08548	3.2
253.11008	1.0
255.09142	5.0
257.06827	0.9
257.10767	1.4
259.08484	0.8
259.12198	6.4
261.10187	6.4
267.09015	1.0
269.10638	1.8
271.12262	1.3
273.10117	4.4
281.10568	1.1
295.12305	1.2
297.13718	2.4
313.13156	2.3
323.18774	1.8
329.14178	5.8
331.15475	1.3
333.13797	0.9
333.17300	25.1
347.15289	18.8
348.15756	1.7
349.16876	8.1
351.18408	99.7
352.18808	2.2
361.18649	0.8
365.16321	15.3
366.16678	2.2
367.17920	12.8
368.18045	0.9
369.19504	100.0
370.20267	1.5
374.20071	10.0
383.12833	3.0
387.20676	1.6
388.18048	2.8
390.19370	3.8
392.21130	18.1
393.21231	1.1
401.13950	5.9
641.37091	1.3
659.37286	1.1
695.35541	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	695.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05401	0.4
55.05625	0.3
56.96417	5.3
56.96739	4.1
61.02798	0.3
67.05376	0.5
67.05692	0.4
69.03264	0.3
69.06932	0.6
69.07260	0.4
70.06467	0.4
71.04856	0.3
71.49693	0.4
71.50073	0.3
71.95116	0.7
72.95914	0.5
73.02796	0.4
74.97495	0.4
76.64769	0.3
79.05315	1.3
79.05820	0.4
81.03265	0.6
81.03678	0.3
81.06879	2.2
81.07404	0.7
82.22632	0.2
84.95889	0.3
85.02792	0.4
91.05323	0.7
93.06933	0.5
93.07407	0.3
95.04803	0.6
95.08475	0.4
97.02751	0.4
97.06326	0.8
97.96687	0.7
98.97450	0.4
105.06885	0.5
107.04765	0.8
107.08428	0.4
109.02660	1.1
109.06371	0.3
109.09988	0.6
110.97449	0.5
112.47182	0.3
114.09252	0.2
115.97684	0.2
116.98495	0.4
119.08416	0.4
121.09953	0.3
127.03780	0.3
128.98404	1.1
129.06841	0.3
131.08450	0.3
133.01578	0.4
133.09982	0.3
134.99457	0.3
135.04193	0.3
137.02634	0.4
146.99443	2.4
149.05800	0.4
151.03766	0.6
152.05513	0.4
155.03621	0.5
157.01595	0.4
159.03156	0.6
161.01106	0.3
161.04710	0.5
161.12971	0.3
163.03757	0.3
165.00571	0.6
165.01891	0.3
165.05309	1.0
167.06902	0.4
169.01563	0.4
169.05185	0.6
171.03221	0.6
173.04665	0.5
175.02586	0.3
177.05396	0.6
181.05176	0.4
183.03157	0.4
183.06616	0.3
185.04727	0.6
187.02621	0.5
187.06282	0.4
189.04126	1.1
189.05629	0.3
191.05693	0.3
195.06572	0.8
199.06404	1.9
201.04230	0.5
203.05861	1.9
205.07306	1.0
205.25305	0.3
207.06760	0.3
209.04761	0.5
209.08043	0.7
211.06337	1.5
211.09842	0.3
213.07970	5.2
215.02089	0.3
215.05766	0.5
215.09494	0.3
217.07436	3.9
219.08932	0.5
221.08501	0.6
223.02661	0.8
223.08313	1.3
225.04315	0.3
225.07997	2.3
227.09344	0.3
229.07477	5.9
230.07692	0.3
231.09035	9.7
235.08209	0.3
236.09224	0.4
237.04340	0.6
237.07828	1.2
239.09479	2.7
241.03586	0.4
241.11136	3.4
242.08197	0.7
243.09015	3.9
245.06900	0.5
245.10364	0.5
247.08542	6.4
249.07719	0.4
249.10118	0.4
251.09543	3.7
253.10936	1.2
253.13991	0.5
254.10559	0.5
255.06506	0.3
255.09042	5.6
257.10602	2.8
258.07419	0.3
259.09787	0.2
259.12192	4.8
260.09323	0.4
261.10226	1.4
264.12622	0.4
267.09018	0.7
267.15741	0.3
269.10602	24.9
270.10803	0.7
271.11877	0.8
273.10074	5.3
274.10617	0.3
278.10440	0.4
279.09079	2.2
280.09702	1.5
281.10406	0.5
285.10046	0.5
287.11676	14.4
288.11893	0.4
292.12155	1.9
296.11765	0.3
297.10092	3.2
298.10864	1.6
303.16187	0.5
307.15771	0.4
310.13324	0.4
313.14728	0.6
315.11154	1.6
316.11642	0.5
321.17471	0.3
325.16736	0.4
331.15793	7.8
332.16092	0.3
349.16864	16.5
350.17264	0.5
353.53122	0.3
365.19855	0.4
367.17923	100.0
368.18246	2.5
372.18573	1.2
385.18976	25.3
386.19269	1.0
390.19421	0.4
408.20532	7.6
413.22278	0.3
463.27023	0.4
469.19843	0.4
533.27808	0.3
541.80682	0.3
618.52484	0.3
677.39703	0.6
695.41150	14.8
696.41595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96339	0.3
55.05439	0.4
56.96478	19.3
56.96794	4.0
61.02839	0.4
67.05453	0.5
69.40514	3.0
71.02844	0.3
71.95163	1.3
72.95954	0.7
74.97536	0.7
79.05399	0.4
81.07009	0.6
82.90448	0.3
84.95948	0.6
85.02803	0.5
91.05392	0.8
92.98561	0.5
93.06954	0.6
95.04911	0.5
95.08527	0.4
97.06445	0.7
97.07082	0.3
97.96703	0.4
98.97487	0.4
103.00655	0.6
107.08488	0.4
110.97565	0.4
115.00574	1.2
119.08404	0.3
121.01683	0.7
121.10136	0.5
123.01144	0.7
127.00571	0.4
128.98488	1.3
131.00090	0.5
133.01628	1.3
133.02534	0.3
137.02693	0.6
139.00484	0.5
141.02150	0.6
145.01646	0.8
146.99521	1.2
147.03209	0.4
149.09473	0.3
153.02113	0.6
155.03728	0.7
157.01625	0.6
159.03177	1.2
161.01089	1.1
161.04716	0.7
163.02599	0.4
165.00563	0.5
165.02141	0.3
167.03706	0.5
169.01677	0.5
169.05234	0.4
171.02078	0.4
171.03285	4.0
173.04791	1.1
175.02773	1.6
175.06238	0.3
177.04269	0.7
179.03627	0.5
181.05231	1.2
183.03246	1.6
185.04836	2.3
187.02760	0.8
189.02811	0.6
189.04349	7.8
189.07883	0.8
191.05795	0.6
193.03741	0.8
195.06924	1.0
197.04895	2.9
199.06412	8.7
201.04314	2.1
201.07935	1.7
203.04233	0.4
203.05911	4.3
203.09477	0.5
205.05345	0.8
207.05276	0.8
209.04851	1.1
211.06343	1.3
213.04243	0.4
213.06154	0.5
213.07974	5.8
215.05898	2.4
215.09453	0.6
217.07469	21.1
219.08965	1.2
221.06837	0.8
223.04575	0.5
223.06409	5.5
225.04315	0.7
225.07869	1.2
227.05904	3.6
227.09447	1.3
229.07452	5.4
231.09009	10.4
233.10454	0.4
235.06274	2.2
235.08438	1.1
237.07936	0.6
239.09439	1.3
240.08911	0.7
241.07457	23.7
242.07735	0.4
243.08870	1.8
245.06943	4.1
245.10443	1.1
247.08516	6.2
249.04344	0.5
249.07979	0.8
251.09399	1.0
253.07468	9.1
253.11293	0.4
255.08980	3.7
257.06970	0.7
257.10461	1.6
259.08533	40.1
260.08899	0.6
261.10049	0.8
263.05789	0.6
264.08969	1.3
265.07376	0.4
265.11163	0.5
267.05569	0.4
267.08917	2.4
267.12555	0.8
269.10587	2.1
271.08527	7.6
271.11469	0.5
273.09991	2.2
277.09616	9.7
279.09314	0.3
282.10205	3.0
283.08395	1.0
285.10153	1.9
287.11603	0.7
289.09393	0.7
293.10687	0.4
297.10114	0.7
300.11014	0.5
301.09494	0.4
305.17792	0.3
307.15756	0.7
311.15063	0.6
313.14728	0.5
319.15878	0.4
321.17261	1.0
323.18811	2.0
331.15726	9.3
337.16959	0.5
339.18536	1.7
349.16840	52.9
350.17194	1.3
351.20145	0.6
355.17780	0.6
357.19473	1.0
367.17905	100.0
368.18259	2.1
372.18524	2.0
385.18964	88.2
386.19312	2.4
387.19736	0.5
390.19522	5.4
403.20047	4.5
408.20499	9.8
659.38647	0.5
677.39331	7.4
695.40649	49.4
696.41962	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	696.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01878	0.5
55.05507	1.1
57.03437	1.6
57.07088	0.5
61.02925	0.5
65.03938	0.7
67.05504	1.8
69.03446	1.3
69.07059	0.9
69.51700	1.8
70.06602	1.6
71.04611	0.5
71.04991	7.8
72.08167	0.4
73.02915	0.5
75.04498	0.4
79.05503	2.4
81.03409	0.4
81.07066	2.3
83.04975	1.0
83.05449	0.3
84.04469	0.3
84.08136	0.7
85.02905	10.6
86.09700	0.8
87.04451	1.0
91.03956	0.4
91.05482	7.0
93.07049	2.0
95.04961	1.0
95.08590	0.7
95.54728	0.2
97.02882	1.0
98.20779	0.5
98.97599	0.3
99.04427	0.3
103.05437	0.6
105.06321	0.5
105.07033	9.6
107.04948	0.8
107.08591	3.0
109.02882	0.4
109.06514	0.7
109.10116	0.5
111.04443	0.6
115.05447	1.0
116.06261	1.5
116.06977	0.3
116.98609	0.6
117.07016	3.4
119.08585	13.0
121.06499	0.5
121.10162	2.7
123.08073	0.4
127.03918	0.8
128.06192	1.5
129.05516	3.1
129.07002	5.9
130.06931	0.3
130.07779	2.0
130.67378	0.3
131.08572	23.5
133.06319	0.2
133.10133	7.0
135.04457	0.3
135.08058	1.0
135.11720	0.3
137.05952	0.3
137.09619	0.6
139.03842	0.3
141.06961	0.6
142.07797	0.6
143.08563	15.3
144.09364	4.3
145.04979	0.7
145.10129	13.2
147.06520	1.7
147.11714	1.7
149.09650	0.4
149.13251	1.2
151.03917	0.5
156.09375	1.4
157.10118	1.2
158.10916	17.1
159.07944	0.4
159.11636	0.6
161.09505	0.3
164.09195	0.7
165.05461	0.7
171.11646	1.3
173.13263	100.0
174.13596	0.7
175.14822	9.3
177.05441	0.6
187.14801	1.0
191.14316	21.4
205.15910	0.3
209.15367	0.9
227.14267	0.3
241.15877	0.5
245.15334	0.4
275.16299	0.4
283.16724	0.3
294.10770	0.3
301.18030	0.6
319.18961	2.1
337.20016	0.9
353.19635	0.3
503.16992	0.4
561.58563	0.3
601.15405	0.3
602.64075	0.3
642.09497	0.3
678.26056	0.3
696.28265	1.1
698.53381	0.3
705.54456	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	696.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01870	1.2
55.05510	12.6
57.03441	5.1
57.07073	9.6
61.02928	26.1
65.03926	2.6
67.05504	65.9
69.03425	2.9
69.07069	19.4
71.04973	1.4
71.08632	6.0
71.49819	1.0
73.02917	8.7
75.04489	1.0
79.05494	16.9
81.03419	1.4
81.07056	75.0
83.04964	1.5
83.08175	1.0
83.08620	16.8
85.02905	34.2
85.06540	2.2
85.10175	2.2
91.03960	26.7
91.04551	1.0
91.05482	13.1
93.07043	21.9
95.04981	1.0
95.08605	72.3
97.02896	12.2
97.06532	6.8
97.10173	11.4
99.04439	0.9
99.08109	4.3
105.07030	9.9
107.04976	0.7
107.08592	14.8
109.02868	1.0
109.10154	34.7
111.08099	3.9
111.11699	3.9
113.09636	1.6
115.03894	1.3
119.08582	10.8
121.10142	21.9
123.08073	1.1
123.11707	20.1
125.09626	1.8
125.13245	0.9
127.03916	10.1
127.11204	1.7
131.08569	1.0
133.10121	13.4
135.11693	13.0
135.90590	0.6
137.09583	2.0
137.13228	8.4
139.11223	1.8
141.12750	4.0
145.04958	14.0
147.11691	10.9
149.13258	10.9
151.11145	0.8
151.14822	6.6
153.12793	1.1
155.14299	3.7
159.11629	0.8
161.13272	12.0
163.06017	22.0
163.14835	10.3
165.12804	1.6
165.16397	9.7
167.14294	1.4
175.14819	9.6
177.16374	2.3
179.14322	1.4
179.17957	8.3
181.15892	1.9
183.13838	0.7
185.15367	1.0
189.16356	3.5
193.15892	1.4
203.17938	1.0
207.17511	0.8
211.16765	0.8
214.71928	0.6
217.19574	1.5
245.22647	70.0
246.23094	1.0
247.24203	0.9
263.23700	100.0
264.24063	1.2
265.25241	2.9
281.24774	2.4
302.82391	0.7
337.27377	45.6
338.27817	0.7
355.28348	9.1
396.96252	0.7
420.28384	0.7
499.32590	1.4
508.49500	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	697.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
55.05511	7.1
57.03424	1.7
59.04992	2.3
67.05508	4.3
69.03423	1.6
69.07069	7.4
71.50161	1.8
71.50542	1.9
73.02937	2.2
75.58025	1.5
79.05492	6.4
81.07053	4.0
81.42709	1.6
83.04975	5.9
83.08606	4.0
85.02910	2.1
86.42059	1.4
91.05495	7.4
93.07030	2.8
95.04954	7.6
95.08618	4.1
97.06532	1.6
97.72826	1.5
101.06037	4.0
105.07049	4.8
107.04961	4.9
107.08590	2.6
108.02090	4.3
109.10165	3.7
115.05478	2.5
117.07030	2.5
119.08585	4.3
121.10155	2.9
128.06253	6.2
129.07008	7.3
131.08574	10.7
133.02858	3.3
135.04399	2.8
141.07022	3.8
142.07770	6.3
143.08577	8.1
145.06497	5.7
145.10103	11.2
147.08006	1.7
151.03905	15.9
153.01784	2.0
155.08562	7.4
156.09341	3.4
157.10146	5.0
161.02277	2.0
163.03891	32.4
167.08586	3.7
169.10132	6.5
170.11003	2.1
171.08069	3.1
171.11760	2.6
173.09659	1.7
179.03362	9.9
179.08607	2.6
181.10193	4.7
182.10933	2.0
183.11650	2.0
184.12538	1.9
185.09612	2.6
186.10291	2.2
191.03375	16.5
193.05026	1.6
193.10114	2.6
195.11775	3.7
196.12556	1.7
197.09705	3.3
197.13358	2.7
198.10385	2.3
199.11247	3.6
200.11986	3.1
207.02867	20.4
207.04536	2.3
207.11784	3.0
209.13272	2.1
211.11205	2.8
212.11914	1.9
213.12836	3.5
219.11719	2.0
223.14853	4.0
225.12810	1.8
239.14233	3.5
253.15987	4.4
279.10184	3.5
291.10245	1.7
293.11905	2.7
323.12842	3.6
335.12967	2.1
339.04956	6.9
343.56866	1.8
347.12643	2.6
349.14569	1.9
361.14490	2.3
363.15915	6.6
375.15958	4.4
377.17496	7.6
389.17554	4.9
413.17728	2.4
417.21216	2.0
429.21042	2.1
431.22562	7.0
455.22113	3.3
473.23178	17.5
487.21475	7.8
491.24692	7.0
505.22183	11.6
529.14966	4.8
569.18274	5.4
583.19629	4.1
595.19196	2.5
597.20709	1.7
635.22748	2.2
637.24414	19.8
647.23615	2.4
651.25970	2.2
655.25354	2.2
661.24194	16.9
679.25403	55.2
680.25330	4.0
697.26428	100.0
697.43402	9.5
698.26813	5.9
708.17719	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	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01869	0.4
55.05517	1.0
57.03436	1.4
60.55185	0.2
61.02618	0.2
61.02925	3.9
67.05497	1.8
69.03425	2.2
69.07065	0.5
69.35706	1.8
71.01350	0.4
71.04989	0.8
73.02914	2.2
79.05489	2.3
81.03419	4.1
81.07053	2.1
83.04968	1.0
83.08617	1.0
85.02908	5.6
87.04463	0.3
91.03960	2.1
91.05465	3.2
93.07045	1.8
95.04965	1.7
95.08597	0.9
97.02887	3.0
97.06522	0.6
97.10163	0.2
98.21571	0.4
99.04457	0.8
101.02364	1.1
102.55895	0.2
103.03935	0.3
105.07014	1.9
107.04948	0.6
107.08593	0.7
109.02885	0.7
109.06524	0.5
109.10160	0.3
111.04388	0.3
111.08083	0.6
115.05500	0.2
117.06950	0.2
119.08571	1.9
121.10174	0.6
123.08085	0.2
127.03910	1.2
129.06999	1.1
131.08531	1.1
133.06451	0.2
133.10133	1.5
135.08051	0.2
142.07779	0.3
145.04979	0.3
145.10173	0.2
147.11661	1.2
149.09631	0.6
157.10130	1.2
175.11169	1.1
185.04262	0.3
193.12221	1.9
203.05305	0.4
211.13255	1.1
221.09343	0.2
243.08446	1.6
251.12497	1.7
285.17093	0.4
307.15356	0.6
464.50214	0.2
465.57733	0.3
469.20459	11.3
535.28424	0.3
697.33960	100.0
698.34100	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	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.01877	0.5
55.05496	1.5
56.10808	0.4
56.96556	0.8
57.03432	2.5
61.02927	3.5
67.05507	3.3
69.03428	3.5
69.07050	1.4
70.06588	1.0
71.04979	0.9
71.49786	0.5
72.08160	0.4
73.02923	2.4
79.05493	3.1
81.03415	5.5
81.07053	3.5
83.04973	1.6
83.08618	1.7
85.02904	6.7
86.09698	0.6
87.04445	0.7
91.03946	1.8
91.05463	2.8
93.07053	2.9
95.04961	3.0
95.08604	1.7
97.02886	3.2
97.06526	1.7
99.04427	0.9
99.08031	0.5
101.02380	1.2
105.07032	2.7
107.04948	1.4
107.08595	1.7
109.02841	0.8
109.06509	1.1
109.10146	1.1
111.04379	0.7
111.08082	0.9
117.07019	0.7
119.08594	2.5
121.10133	1.3
123.08041	0.8
125.09658	0.7
127.03916	1.5
129.06975	1.2
131.08571	1.6
131.28157	0.5
133.06454	0.8
133.10118	1.6
135.07994	0.6
137.05904	0.5
137.09645	0.6
145.10155	0.6
147.08076	0.6
147.11674	2.0
149.09630	0.9
151.11165	0.6
152.64957	0.4
157.10133	1.8
159.11684	0.5
161.86894	0.5
165.05478	0.5
165.12730	0.7
167.07108	0.6
169.10153	0.5
175.11153	0.9
193.12228	2.7
211.13306	1.2
243.08429	1.8
246.31189	0.4
247.08598	0.5
251.12674	3.2
259.09821	0.6
285.10040	0.7
304.60641	0.4
307.15149	1.0
363.85083	0.4
439.33411	0.4
469.20459	13.5
535.28998	0.6
540.22321	0.6
637.39270	0.8
697.33813	100.0
698.34009	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	698.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07963	1.0
55.05245	1.7
55.05510	24.8
57.03441	8.3
57.07074	15.1
61.02927	23.8
67.05502	32.3
69.03419	2.0
69.07067	46.6
71.04990	1.8
71.08630	11.1
71.32362	1.2
71.49699	1.1
73.02924	7.6
75.04471	2.2
75.28013	1.1
79.05495	14.8
81.03412	2.4
81.07058	43.8
83.04984	1.2
83.08625	37.2
85.02908	28.7
85.06536	2.6
85.10188	7.1
88.48325	1.1
91.03954	24.2
91.05498	1.7
93.07045	22.8
95.08607	45.1
97.02892	13.5
97.06527	7.1
97.10168	26.1
99.04452	2.7
99.08083	1.6
105.07018	1.7
107.08595	19.1
109.02766	1.3
109.10158	25.1
111.08073	6.5
111.11736	9.1
113.09682	1.3
115.03927	1.5
121.10147	37.9
123.04482	1.2
123.11707	8.3
125.09601	3.0
125.13311	2.3
125.33868	1.1
127.03880	7.7
133.10114	1.4
135.11688	29.8
136.06192	1.8
137.13277	4.2
139.11179	3.6
143.14305	1.3
145.04951	12.0
149.13249	12.2
151.14838	4.8
153.12695	1.7
159.11597	1.1
163.06013	19.8
163.14830	5.0
165.16397	4.2
167.14288	1.4
177.16412	2.5
185.15366	1.3
191.17928	2.4
205.19565	1.8
213.18552	1.4
247.24219	38.4
262.25388	2.5
265.25275	88.5
283.26312	19.5
289.20325	1.3
339.28937	100.0
357.29999	56.0
372.77881	1.3
475.24899	1.5
501.34210	5.4
513.46448	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	698.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01872	1.3
55.05510	23.4
57.03436	6.7
57.06809	1.1
57.07076	13.5
57.21461	0.8
61.02926	25.5
67.05501	27.9
69.03419	3.9
69.07064	41.9
70.14189	3.6
71.04991	3.9
71.08632	8.9
72.76019	0.9
73.02913	8.5
75.04482	2.7
79.05495	12.2
81.07050	39.5
83.04977	1.4
83.08616	33.6
84.08999	1.0
85.02900	31.3
85.06526	2.1
85.10187	5.0
86.09692	1.1
91.03952	25.6
91.05466	1.7
93.07037	16.8
95.04954	1.1
95.08603	42.8
97.02886	13.6
97.06533	5.7
97.10160	24.5
98.21471	1.1
99.04438	1.8
99.08096	1.5
107.08585	11.8
109.10152	19.7
111.08086	5.0
111.11732	9.4
113.09649	1.6
115.03914	1.6
120.91911	0.9
121.10136	32.0
123.11695	8.5
125.09637	2.7
125.13287	1.8
127.03922	10.5
135.11688	25.5
135.68987	1.0
137.13257	3.0
139.11240	2.6
142.58154	0.9
145.04959	12.9
149.13264	12.1
151.14842	3.9
153.12793	1.4
163.06000	27.9
163.14838	4.5
165.16408	3.2
167.14343	1.1
177.16388	3.3
180.73560	1.2
181.15782	1.6
184.07303	1.4
191.17958	3.0
195.17302	1.2
247.24205	35.4
252.52464	1.0
262.25195	2.0
265.25256	99.0
283.26315	16.8
339.28918	100.0
357.29977	66.2
628.39398	1.1
691.95215	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	699.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84689	1.2
55.01859	1.4
55.05512	5.6
57.07078	2.2
67.05499	6.1
69.07060	4.0
71.04978	1.6
71.50192	2.2
75.58774	1.1
79.05498	5.8
81.03407	1.3
81.07038	4.8
83.05029	1.4
83.08608	2.6
85.02898	1.9
88.90071	1.2
91.05448	5.0
93.07038	3.1
95.04983	2.8
95.08582	4.1
97.10142	1.7
105.07032	6.4
107.04917	2.9
107.08569	1.7
108.02074	3.7
108.83386	1.1
109.10146	4.2
111.08040	1.0
115.05476	1.5
117.07030	2.8
119.08572	4.3
121.10103	4.4
123.04358	1.7
128.06160	3.2
129.06995	5.4
130.07729	1.7
131.08562	5.0
133.02849	1.6
133.10170	2.6
141.06935	2.6
142.07768	4.2
143.08557	7.5
145.06476	5.2
145.10124	13.0
147.11700	2.3
151.03908	10.2
153.01799	2.3
155.08525	3.3
156.09305	2.1
157.10100	4.1
159.08128	1.5
159.11610	2.0
163.03888	19.8
165.06966	1.3
167.08569	2.7
169.10074	2.5
171.08041	2.9
171.11685	2.7
179.03398	6.6
179.08475	1.4
181.10056	2.6
183.11594	1.9
185.09560	3.2
186.10349	3.8
191.03369	9.9
195.11658	3.4
199.11148	1.8
207.02849	13.5
211.11154	1.5
225.12971	1.2
241.15898	2.1
262.25336	3.2
265.08640	1.2
265.15817	1.7
279.10269	2.1
283.16891	2.3
307.09656	2.0
321.11185	2.3
323.12656	3.0
335.12689	1.4
339.04663	3.2
361.14545	1.4
363.15848	9.2
367.12878	1.5
377.17490	3.5
389.17764	1.8
391.19131	2.7
415.19119	1.3
441.19702	1.4
457.23755	3.8
465.35754	2.2
475.24811	16.0
489.22812	6.6
501.22580	2.3
529.14661	2.9
541.18335	1.6
569.18018	13.2
637.23883	8.7
639.25421	3.9
651.26056	2.0
663.26019	17.4
681.26880	100.0
682.27283	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	699.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01920	0.2
67.05494	0.6
70.21638	0.4
70.22031	0.4
81.07066	0.3
91.05497	0.3
92.19260	0.2
93.07010	0.2
95.04987	0.2
95.08612	0.2
98.21474	0.2
105.07008	0.2
109.10159	0.3
109.92846	0.2
111.52908	0.2
133.03455	0.3
143.01872	0.3
147.67209	0.2
155.01918	0.2
161.02904	0.3
173.03015	0.4
181.58287	0.2
185.04231	0.4
189.75803	0.2
259.07965	0.5
264.17761	0.2
301.20145	1.2
305.07376	0.4
319.21298	0.5
347.09396	1.1
375.24500	0.2
382.06845	0.2
421.13080	0.3
471.19742	0.2
523.75464	0.2
537.30322	18.7
538.30731	0.5
699.35559	100.0
700.35858	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	699.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71130	0.4
53.03912	0.7
55.05456	2.5
56.96509	17.6
56.96817	1.6
57.03384	1.1
59.93121	0.4
61.02885	1.1
61.37055	0.5
63.09554	0.6
65.68713	0.5
67.05437	2.3
69.03377	0.9
69.07042	1.0
70.06556	0.6
70.18069	1.8
71.95203	1.6
72.95992	1.1
73.02886	0.8
74.05609	0.4
74.97560	0.6
79.05431	1.6
81.03365	1.0
81.06994	1.5
83.04944	0.9
83.08568	2.2
84.95973	0.5
85.02837	1.5
91.05411	1.6
93.06996	1.1
95.04913	1.3
95.08553	1.1
97.02853	1.1
97.06528	2.3
102.10542	0.5
105.06953	1.4
107.04874	0.6
107.08537	1.1
109.06461	0.6
109.10101	1.1
117.06982	0.6
118.16638	0.5
119.08533	1.1
121.10107	1.1
123.08021	0.7
128.98587	1.1
129.06953	0.6
131.08432	0.7
133.01721	0.5
133.10065	0.8
137.05937	0.6
141.02180	1.0
143.19551	0.6
145.10020	0.6
146.99579	2.2
147.11617	0.7
149.09650	0.6
155.03751	1.2
159.03204	1.0
163.03870	0.7
165.00684	0.6
165.05450	0.8
167.07043	0.6
169.01753	0.7
171.03078	0.5
172.43860	0.5
173.04805	1.3
173.11757	0.6
177.04228	0.8
183.03189	0.7
185.04794	0.9
189.04247	1.5
189.07870	0.8
197.04671	0.6
197.08406	0.6
199.06390	3.4
202.05045	0.6
203.05811	3.0
205.07391	0.5
207.09073	0.9
211.06367	1.6
213.07980	7.4
215.09334	0.5
217.07401	8.1
219.08859	1.2
223.10085	0.9
225.07968	3.5
227.05887	0.7
227.09418	0.8
229.07483	12.7
231.09042	15.7
239.09500	4.1
241.08792	0.7
241.11087	7.9
243.09007	4.5
245.10626	0.7
247.06070	1.1
247.08540	15.9
251.09473	5.1
252.08961	0.9
253.10954	0.8
255.09001	4.3
257.06976	0.9
257.10532	4.1
259.09448	0.8
259.12177	14.3
261.10019	0.9
262.42804	0.6
269.10602	42.6
270.10696	1.0
271.12097	0.7
273.10049	3.6
278.10712	0.7
281.10376	0.6
282.13828	0.7
285.10034	1.0
287.11649	26.3
288.11841	0.7
292.12308	3.5
299.11615	0.6
310.13226	1.2
313.13916	0.7
315.16501	1.0
331.15936	0.5
333.17325	16.6
339.18405	0.6
351.18408	38.0
352.18808	1.7
369.19485	96.5
370.19571	2.5
374.20059	3.9
387.20532	100.0
388.20908	2.9
392.20999	1.6
410.22122	17.8
411.22424	0.7
471.21225	1.1
681.42877	0.7
699.34052	7.9
699.43567	25.7
700.43530	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	700.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01843	0.9
61.02907	0.9
67.05486	1.0
69.03412	2.2
69.53798	1.7
69.54197	4.4
70.06580	2.8
72.91979	0.8
78.88577	0.7
79.05482	2.4
80.05022	0.9
81.03414	1.6
81.07031	0.9
82.06602	0.7
84.08141	1.0
85.02907	4.4
86.09695	2.1
91.05473	3.0
93.07043	5.4
94.06557	7.7
95.04951	0.9
95.07365	4.6
95.07861	0.8
96.08125	12.2
96.51197	0.7
97.02896	1.6
97.06529	2.5
98.20846	1.6
98.97562	1.2
103.05437	1.0
106.06552	0.8
107.07230	0.7
108.08118	10.2
110.06049	0.7
110.09682	24.3
116.04980	1.5
118.06564	0.9
119.08582	0.9
120.04475	4.4
120.08107	18.4
121.06513	1.6
121.42204	0.7
122.06023	4.1
123.06857	0.8
124.07596	4.6
127.03940	0.9
129.38208	0.7
134.06012	1.5
134.99706	0.9
136.07591	8.3
137.09595	1.1
138.05496	3.1
138.09142	36.7
144.04420	4.2
146.05972	4.3
148.04004	1.0
148.07588	6.2
150.05519	1.6
150.09180	1.6
152.07080	1.5
162.05498	3.0
164.07062	0.8
166.04980	2.7
166.08640	62.2
167.07143	0.8
172.03929	22.9
174.05507	1.2
178.04971	1.6
190.04967	12.4
204.06563	10.9
209.10722	1.5
211.08748	1.0
212.09377	1.9
223.08685	1.0
223.12311	1.1
224.09462	2.1
225.10225	3.5
227.11818	2.7
235.08719	1.0
236.09511	2.0
237.10175	11.3
238.11002	2.5
239.08235	1.8
239.11826	3.3
241.09789	2.3
245.12929	1.2
247.14485	2.6
249.10257	1.8
250.10994	1.1
251.08199	1.7
251.11829	7.8
252.09029	2.1
253.09743	5.0
255.11369	2.2
263.11823	2.0
265.09692	18.0
266.10370	1.8
267.11285	3.6
268.08398	1.6
269.12915	0.8
271.10791	2.6
273.12329	6.2
277.09756	0.9
278.06509	5.7
279.11234	9.1
280.08582	2.0
280.11938	1.0
281.09253	2.3
281.12823	2.1
283.10764	4.5
285.12387	1.7
289.09775	0.7
292.08246	2.3
293.09198	15.1
293.12442	1.2
294.09988	2.9
295.10693	1.4
296.11804	0.9
297.12363	6.2
299.10281	3.0
300.11078	1.8
302.97174	0.9
307.10886	3.6
309.12390	2.3
311.10184	1.8
312.10986	3.3
313.11880	4.6
323.10205	1.5
325.11829	18.2
335.10178	5.9
340.10849	1.6
341.11331	14.2
343.12881	2.1
353.11349	14.1
357.14542	5.0
373.13919	10.9
385.14020	4.8
418.16983	0.9
437.19672	1.3
460.18634	2.2
462.20618	1.0
465.18869	5.3
478.19669	5.9
488.18063	7.8
506.19226	100.0
510.22623	1.9
520.20721	2.6
538.21899	23.3
705.08875	0.8
713.82404	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	700.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.5
57.03433	3.7
57.07073	39.3
61.02922	14.9
67.05506	10.5
69.03411	2.0
69.07064	8.7
69.39384	6.6
71.08626	33.6
73.02918	4.5
75.04479	2.2
79.05495	1.4
81.03374	1.1
81.07053	18.3
81.07539	1.0
83.08618	9.6
85.02904	16.5
85.10178	18.9
87.64074	0.8
89.06022	1.6
91.03428	1.5
91.03955	15.2
93.07052	1.0
95.08604	24.6
97.02877	9.9
97.10170	10.1
99.11751	1.6
109.02906	1.0
109.10159	12.6
111.11717	5.0
113.13304	1.2
115.03948	1.2
123.11706	5.7
123.24797	0.9
127.03888	5.6
137.13293	3.2
145.04939	7.4
151.14723	1.0
163.06027	12.3
182.10104	0.8
182.93185	0.8
223.62064	0.8
239.57910	1.0
249.25777	1.6
252.65843	0.9
267.26825	24.2
285.27887	3.2
318.69955	0.8
341.30490	100.0
342.30704	2.1
359.31540	29.1
651.92303	1.0
700.45184	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	701.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84575	0.2
55.05502	0.3
62.18524	0.2
67.05498	0.6
69.17397	1.1
69.17822	2.1
79.05506	0.4
81.07051	0.8
82.66392	0.3
105.06963	0.3
105.11895	0.3
107.08596	0.3
110.91843	0.2
121.10137	0.3
167.38440	0.3
173.03014	0.4
185.04327	0.7
200.84599	0.3
259.07944	0.6
301.36975	0.3
321.22821	0.7
347.09723	0.5
365.10373	0.3
378.52158	0.3
397.36176	0.3
539.31897	19.5
540.32373	0.7
541.20801	0.3
701.37244	100.0
701.48975	8.0
702.37518	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	701.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
53.18500	1.0
55.01866	3.3
55.05511	20.1
57.03429	4.4
57.07077	35.1
59.04989	4.2
62.27034	1.0
65.03938	1.7
67.05505	95.5
69.03434	6.5
69.07071	10.0
71.04980	4.4
71.08249	1.7
71.08629	25.0
71.50084	0.9
71.50485	1.0
73.02899	1.4
79.05497	9.4
81.03426	10.6
81.07056	31.3
83.04966	4.8
83.08178	1.7
83.08624	18.4
85.02906	9.3
85.06535	3.2
85.10186	14.0
87.04449	2.3
91.05483	7.0
92.84801	1.1
93.07037	7.7
95.04948	2.8
95.08604	27.4
97.02898	8.2
97.10160	13.0
99.04454	2.5
105.07026	3.1
107.04891	1.8
107.08559	5.8
109.02867	3.9
109.10157	64.7
111.04407	1.7
111.08055	2.7
111.11706	1.2
117.07014	1.5
119.08571	5.6
121.10151	3.3
123.11693	4.8
125.09646	7.8
125.13292	1.1
127.03918	6.9
129.05533	1.6
131.08492	1.1
133.10136	2.6
135.11674	2.7
137.09615	2.7
137.13268	2.0
142.25851	1.2
143.08533	1.3
143.10631	1.8
143.31689	1.2
145.04951	1.1
145.10118	1.8
155.10645	2.2
155.32288	1.1
155.33609	1.1
163.11140	3.6
173.04367	1.7
173.11732	17.6
183.06540	2.4
190.27237	1.2
191.10664	1.4
191.29004	1.3
199.13252	1.1
201.07524	1.2
205.15208	1.1
209.11780	2.4
221.22470	1.0
227.12709	3.3
229.14299	3.5
239.23749	7.9
282.13654	1.1
283.15546	1.1
313.27298	9.1
445.20941	1.3
467.37323	100.0
468.37653	2.3
512.24121	1.6
521.37854	2.6
530.10236	1.3
539.38959	2.0
581.24115	1.4
626.23376	2.2
669.25665	1.6
701.27234	2.4
701.49567	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	701.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
53.80609	0.8
55.01859	2.2
55.05514	18.4
57.03434	3.8
57.07075	38.3
59.04987	3.7
65.03941	2.8
67.05505	88.6
68.05826	0.9
68.66737	0.7
69.03431	7.0
69.07069	12.7
71.04990	3.5
71.08249	1.7
71.08633	27.2
71.50125	1.0
73.02908	1.3
79.05489	9.4
81.03412	11.2
81.07058	31.6
81.07541	1.7
83.04973	4.3
83.08617	17.2
85.02900	9.6
85.06544	2.9
85.10186	16.6
87.04472	2.0
89.06042	2.1
91.05480	6.9
93.07040	6.3
95.04967	2.7
95.07990	1.6
95.08609	26.4
97.02884	7.3
97.06521	1.9
97.10163	13.2
99.04442	2.3
105.07024	1.9
107.04967	1.8
107.08593	5.8
109.02880	2.7
109.06577	0.8
109.10155	63.3
110.10476	0.8
111.04419	1.6
111.08073	2.9
111.11691	1.3
119.08589	6.2
121.10125	3.5
123.11714	4.1
125.09606	9.6
127.03905	5.7
129.05476	2.1
131.08597	1.8
133.08577	1.2
133.31841	0.7
135.11670	2.1
137.09569	2.1
137.13278	2.3
139.14754	0.9
143.10672	1.8
145.05011	1.9
145.10103	1.8
149.09665	0.9
155.10672	1.4
163.11168	3.3
171.06500	0.9
173.04411	1.2
173.11731	17.8
181.12146	1.3
183.06564	1.9
193.12294	0.9
199.13322	1.9
209.11716	3.8
227.12857	2.3
227.20009	9.7
229.14255	4.9
239.23692	6.5
245.13768	1.0
283.15256	1.5
313.27405	9.8
334.92871	0.8
335.25693	1.4
413.57730	0.9
437.36215	1.4
457.31604	2.2
467.37329	100.0
468.37469	3.6
521.38647	1.3
539.38916	1.7
546.37787	0.8
701.49237	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	701.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.3
55.01858	5.4
55.05511	22.1
57.03434	9.4
57.06814	2.9
57.07077	47.3
59.04997	3.9
65.03937	2.3
67.05505	93.8
69.03439	11.7
69.07076	16.7
70.03534	1.7
71.01332	2.2
71.04975	4.2
71.08258	2.1
71.08627	31.8
72.30321	1.9
79.05471	8.5
81.03420	16.1
81.07053	37.0
83.04961	8.5
83.08619	19.8
85.02913	11.3
85.06501	2.3
85.10174	17.2
87.04457	2.3
91.05480	11.5
93.07035	8.5
95.04961	3.6
95.08606	33.8
97.02896	13.8
97.10165	11.2
99.04468	2.7
99.08064	2.2
100.59434	2.2
105.07029	2.7
107.04949	4.9
107.08582	8.0
109.02878	3.5
109.06508	2.8
109.10161	72.3
111.04408	3.6
111.08104	2.8
114.26340	1.8
117.06970	4.0
119.08571	6.4
119.64575	2.0
121.10096	2.6
123.11677	5.1
124.42190	1.8
125.09607	11.0
127.03901	10.2
129.05502	2.4
137.09627	4.9
137.13284	2.3
145.10078	4.2
150.07271	1.9
153.12697	2.9
163.11188	7.1
173.04482	2.9
173.11745	16.7
191.10684	3.7
199.13205	2.5
209.11702	7.9
209.55432	2.1
227.12781	5.6
229.14381	5.7
229.58101	2.2
239.23735	10.6
283.15350	6.0
313.27356	26.0
336.94275	2.1
445.20929	4.1
467.37317	100.0
521.38452	4.8
539.39044	5.7
701.49176	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	702.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01874	0.3
57.03429	0.4
59.05003	0.2
59.63751	0.2
61.02913	0.6
65.03937	1.0
67.05505	3.4
69.03425	1.9
69.49272	1.6
70.06581	0.6
71.04980	0.3
73.02913	0.6
79.05510	1.4
81.03419	0.5
81.07063	1.1
81.80811	0.2
84.08134	0.5
85.02912	2.1
86.09724	0.3
87.04471	0.4
91.05489	0.6
93.05779	1.0
94.06575	0.6
95.04950	0.5
96.08141	0.5
97.02908	1.4
98.21497	0.5
99.04415	0.3
103.06207	0.2
106.06556	2.0
107.04954	1.3
108.08117	100.0
109.02861	0.5
109.06493	0.3
109.08423	0.4
110.06034	0.2
121.06580	0.2
122.06015	0.4
123.06818	4.5
124.07593	12.4
125.02399	0.3
127.03944	0.7
127.73033	0.2
134.06013	9.4
135.04460	0.2
136.07578	17.8
137.06020	0.3
137.08359	0.8
138.09236	0.2
139.03857	0.3
147.04385	0.2
149.06061	0.3
150.05531	0.4
151.03961	0.5
152.07065	54.1
153.07481	0.3
154.08618	2.3
163.03886	0.4
165.05469	0.8
166.43770	0.2
170.08122	0.5
177.39490	0.3
209.07986	0.3
227.09073	1.0
254.10269	0.3
269.40054	0.2
308.71613	0.2
314.12326	88.0
315.12741	1.2
331.08273	0.3
331.15353	0.6
404.97998	0.3
461.20313	0.2
540.20599	0.8
587.56549	0.3
654.40198	0.3
702.26019	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	702.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80344	1.5
53.03949	2.4
55.01873	2.8
57.03429	7.8
59.05008	3.8
61.02915	3.1
63.91926	1.4
66.04436	1.7
67.05508	3.1
69.03430	30.8
70.06593	12.0
71.01350	6.8
71.04991	4.9
71.49218	2.7
72.08142	3.2
73.02912	3.3
79.05484	22.5
81.03415	14.0
81.07049	3.4
83.04968	3.6
84.08157	4.7
85.02916	17.6
86.09705	7.4
87.04482	2.0
91.05470	6.5
93.07050	6.9
95.04969	24.0
97.02881	12.1
99.04446	19.6
103.03943	4.8
103.05447	8.6
105.03416	1.9
105.07003	2.9
107.04955	100.0
109.02879	54.1
109.06519	9.8
111.04426	2.7
115.99256	1.9
116.98601	1.9
117.05476	8.7
121.06503	13.4
123.00825	1.8
123.04435	12.0
125.02340	7.5
125.05993	4.6
127.03920	7.2
131.04918	6.5
133.02876	2.4
133.06464	1.8
135.04417	58.1
135.06555	12.2
137.05986	3.6
139.03902	41.6
139.04947	2.9
141.05489	2.3
145.04987	10.5
147.04417	2.1
149.05986	24.9
151.03917	31.9
153.05536	12.2
153.07552	15.0
159.04413	9.5
159.06529	3.7
163.06059	3.8
165.05482	66.6
167.07014	25.3
169.04916	2.1
172.15746	1.7
177.05467	57.2
188.40784	1.6
191.07037	13.9
195.06535	31.8
209.08093	84.4
213.07652	2.7
216.61635	2.1
219.10233	4.7
227.09138	15.6
263.37335	1.8
266.07751	1.8
293.10294	3.6
304.08829	1.5
311.11215	28.1
319.59586	2.0
325.12698	9.9
329.12299	37.7
339.10657	6.5
343.13898	4.0
361.14911	12.8
473.16467	4.6
491.17822	3.5
505.19336	2.5
702.40002	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01864	0.7
57.03431	0.9
61.02918	1.2
65.03938	0.9
67.05502	3.0
69.03426	3.9
70.06599	0.7
71.04980	0.4
71.49118	0.7
72.08173	0.4
79.05473	1.5
79.64764	0.5
81.03419	1.1
81.07071	0.8
84.08138	0.4
85.02905	7.4
86.09686	0.6
86.60207	0.4
91.05479	5.7
91.38100	0.3
93.05780	0.5
93.06993	0.6
95.04962	1.8
97.02895	3.2
99.04478	0.6
103.05447	1.1
105.07048	1.2
106.06531	0.8
107.04948	3.0
108.08115	78.4
109.02879	1.9
109.06523	1.7
109.08450	0.9
111.04457	0.6
114.02041	0.4
117.07038	0.5
119.04947	4.8
120.08094	0.4
121.06497	2.1
122.03630	0.6
123.04365	0.6
123.06805	3.7
124.07587	9.4
127.03939	1.9
128.06194	0.7
129.07019	3.0
131.04933	2.4
131.08563	0.7
133.06467	0.9
133.10156	0.4
134.06006	7.1
135.04471	0.5
135.08057	1.3
136.05208	0.7
136.07571	12.9
137.05975	29.1
138.09111	0.5
139.03893	0.9
145.04964	1.3
145.06461	1.7
147.04480	1.1
147.07999	0.6
149.05983	5.8
150.05542	0.5
151.03894	1.9
151.07538	40.5
152.07059	43.3
153.07523	0.7
154.08646	1.8
157.06488	4.1
161.05992	4.0
161.09610	0.9
163.03979	0.5
163.07550	10.3
165.05490	2.6
165.07021	1.2
165.09129	2.5
167.07120	0.9
167.08551	3.2
174.06732	1.6
175.07547	2.9
177.05450	1.2
177.09143	4.2
178.07828	0.7
179.08807	0.4
181.08673	0.5
189.09096	15.6
193.06500	1.2
193.08511	0.5
193.10143	1.9
195.06389	0.7
195.08037	6.6
197.09709	0.5
203.08548	0.7
207.08203	0.7
207.10095	2.8
209.07997	0.9
209.09712	1.5
210.06796	0.6
212.08318	1.2
219.10118	0.4
221.06013	3.2
221.09621	3.3
221.11729	1.1
223.07581	4.1
224.08339	1.2
225.09125	3.2
227.07280	0.5
227.10703	12.9
235.07475	0.6
237.09137	1.1
238.06270	0.8
239.06967	0.5
239.10698	0.9
240.07773	1.0
241.12280	0.5
249.09116	2.2
250.09999	0.5
252.07721	1.1
253.08626	4.4
253.12254	7.5
255.10150	14.0
265.08401	0.9
267.10168	2.2
269.08121	1.5
269.11722	1.2
272.10440	1.6
281.11740	2.6
284.10498	0.5
285.08215	0.6
285.11197	9.7
287.12772	20.7
288.12912	0.7
293.11765	0.4
297.11072	0.6
298.11990	0.6
299.12753	1.5
301.14429	0.7
311.12650	0.6
313.14331	16.9
314.12311	62.8
315.12698	1.5
331.15378	100.0
332.15854	2.0
343.15372	3.9
468.21259	0.5
540.20203	0.6
702.15613	0.5
702.25928	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	703.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
57.03436	1.0
64.54512	0.5
69.03411	1.9
71.31535	0.9
73.02908	0.7
81.03402	0.7
85.02912	7.7
97.02876	1.8
103.03933	0.8
109.02914	0.6
115.05408	1.0
118.06528	8.6
127.03915	1.6
130.06535	2.8
132.08122	4.4
142.06528	1.3
143.07292	2.8
144.08093	11.5
145.07608	1.8
146.06010	48.2
155.07376	0.5
156.08083	5.8
158.06035	0.8
158.09641	1.5
159.09212	2.7
160.07596	3.5
160.85948	0.6
164.15050	0.5
167.07281	0.6
168.08075	2.3
170.06035	4.8
172.07591	1.1
174.09122	1.0
183.06845	0.9
183.09085	0.7
184.07565	2.8
186.09160	0.8
188.07065	100.0
189.07381	1.1
200.07071	0.9
202.08638	4.5
205.09720	69.6
212.07048	1.3
217.09708	1.2
228.06612	0.6
229.09763	2.7
230.08121	31.9
247.08311	0.9
247.10774	12.0
258.11221	2.5
260.09210	1.1
271.10843	1.0
276.12149	1.2
313.40387	0.5
314.10184	0.7
331.12891	2.7
332.11334	4.5
349.13947	5.1
350.12329	12.6
367.15002	43.9
368.15393	1.3
369.15213	0.7
506.94073	0.6
520.89471	0.6
563.45795	0.5
631.90979	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	703.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80745	0.4
67.05493	0.6
70.49443	0.3
70.59709	1.1
79.05495	0.7
81.07038	0.5
85.02880	0.4
89.05994	0.4
91.05461	0.5
92.24339	0.4
93.07064	0.5
95.08585	0.5
98.20811	0.4
104.87939	0.3
105.07029	0.5
176.80876	0.4
185.04265	0.4
212.54030	0.3
213.81746	0.4
259.08038	0.5
347.09512	0.7
541.33466	19.9
542.33746	0.7
703.38702	100.0
704.38635	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	704.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01857	1.3
57.03434	2.1
61.02913	2.0
65.03937	1.4
67.05491	3.3
68.68900	1.0
69.03434	9.3
69.17760	2.1
69.18177	8.2
69.57072	0.9
70.06548	2.1
70.62650	1.0
71.04991	1.4
72.08139	1.3
79.05483	3.5
80.05010	1.8
81.03425	4.4
82.06567	2.8
85.02908	12.7
87.04477	1.5
91.05475	5.2
93.07038	7.3
94.06561	6.6
95.04945	6.7
95.07343	6.5
96.08124	19.9
97.02879	6.8
97.06509	3.6
98.06068	0.9
98.20792	1.8
100.07003	1.7
100.07615	17.0
103.05455	3.0
107.04979	1.8
107.07357	1.1
108.08113	14.7
109.02853	2.8
109.06484	1.7
110.09675	34.1
117.73165	0.9
118.06519	1.2
119.04993	1.2
120.04474	2.6
120.08103	26.9
121.06524	8.8
121.08884	1.5
122.06023	1.8
122.09667	2.4
124.07551	3.1
126.09151	4.7
127.03908	3.9
129.10162	1.1
132.04456	0.9
133.06578	1.1
134.09615	1.1
135.08008	1.1
136.07573	14.5
137.05959	1.1
138.05476	2.3
138.09135	53.4
139.03868	4.5
141.06911	1.3
145.04948	2.0
145.06538	1.5
146.05998	16.6
146.09590	1.2
147.05510	12.7
148.07552	9.7
149.05942	1.9
150.09163	4.7
151.03883	2.4
152.10709	1.7
152.22896	1.0
152.94850	0.9
154.08624	2.5
163.07535	1.2
164.10718	1.5
165.05472	21.4
166.08636	89.1
168.06483	1.2
172.03894	1.1
174.05507	2.7
177.05457	2.4
178.08643	2.3
178.12245	2.1
180.10226	4.4
183.06425	1.1
192.10226	2.0
198.09148	1.4
204.06534	1.9
206.08090	8.2
207.08971	1.7
209.07944	1.4
211.08629	1.7
213.10153	1.6
217.09496	1.1
223.08595	1.7
224.09468	2.0
225.10257	3.8
227.08159	3.8
227.11787	1.2
235.08725	1.3
237.10233	13.0
238.10881	3.0
239.08092	6.5
239.11816	2.7
241.09676	5.0
243.11253	2.6
249.06558	2.8
249.10112	1.3
251.08128	2.2
252.08730	1.3
253.09723	13.3
255.11320	3.1
263.08212	2.2
265.06592	1.7
265.09711	21.4
266.07999	1.3
266.10556	2.3
267.07748	8.5
267.11124	8.2
269.09155	3.1
276.12289	2.6
277.09845	1.6
281.09164	18.1
283.10776	11.6
286.09033	1.4
287.10254	3.2
291.07642	2.4
293.09183	18.8
295.10770	15.8
296.12674	1.0
299.10239	7.0
301.11942	4.4
308.14789	1.9
309.08658	3.4
311.10220	16.0
313.11731	5.8
321.08694	9.5
323.10303	5.1
325.11603	2.0
327.09738	16.4
327.13333	2.1
330.12698	1.2
339.09735	32.2
341.11316	3.1
343.13046	1.3
346.16013	1.5
353.11151	5.9
359.12338	39.4
360.12735	1.1
371.12341	21.2
388.16345	2.1
393.14301	1.8
400.16476	2.5
408.15451	1.6
418.17352	6.3
422.17035	2.3
424.41391	1.1
425.17035	5.9
434.88666	1.1
436.18271	1.1
446.17175	8.5
448.18552	3.2
456.96179	0.9
460.18976	1.4
464.18152	21.4
465.18594	1.1
466.19693	7.5
470.20169	4.4
474.16742	4.5
478.19855	1.9
492.17609	100.0
493.17502	4.4
506.19037	7.3
510.18143	5.3
524.20184	78.1
525.20044	2.4
542.21149	2.6
587.21979	4.9
654.25671	5.8
672.27637	13.7
686.29193	40.0
704.29523	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	705.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65109	2.1
69.43723	4.2
69.44131	15.1
74.41571	2.1
80.00725	2.3
85.02893	3.0
98.20813	4.9
98.97604	7.0
107.17750	2.3
116.98618	2.7
138.03244	2.5
146.99733	2.8
158.99615	3.9
173.02960	4.6
177.00742	4.9
189.00713	6.0
189.18005	2.2
200.04422	2.2
219.01802	4.4
237.02946	3.2
239.18501	2.3
245.05170	4.6
261.02789	4.8
279.04028	6.6
281.07227	4.4
307.06708	2.5
345.20404	2.2
362.59857	3.4
368.41275	2.8
381.07022	3.8
420.68039	2.8
423.08267	17.5
441.09174	4.3
534.03485	2.4
543.13202	26.3
705.18500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1845
Annotation	Diinsinin
Peak:m/z	Relative Intensity
57.03431	0.8
66.24941	0.8
68.79108	0.8
69.03419	1.4
70.93828	2.2
73.02910	1.4
85.02891	4.1
98.97599	3.0
112.89651	1.3
114.89359	1.4
116.98614	1.2
119.01859	2.0
143.00189	0.9
156.21596	0.9
158.99701	3.2
161.02934	2.8
170.99652	1.9
173.03027	1.5
177.00758	3.1
185.02910	1.9
189.00755	2.3
191.03938	3.3
200.04465	2.9
201.00780	1.9
203.04041	1.3
209.04962	1.0
219.01784	2.3
237.02872	1.5
243.01755	1.0
244.86058	0.9
245.05145	2.9
255.03947	1.5
261.02942	1.7
272.06476	1.2
272.56607	1.2
279.03888	2.7
281.07013	6.3
281.57233	2.7
362.09662	4.3
362.59818	4.4
363.05850	1.7
363.09973	1.9
365.10025	1.8
366.01089	1.0
381.07108	1.1
423.08054	11.7
441.09134	2.3
483.10321	1.1
525.13538	1.4
543.05951	0.6
543.13257	27.8
705.18481	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	706.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01643	1.7
53.03948	4.4
55.01874	16.7
55.05510	40.9
56.17512	1.7
56.99002	1.7
57.03434	23.7
59.04997	6.0
61.02914	8.9
67.05505	88.0
69.03426	6.8
69.07068	12.9
70.84024	2.7
70.84364	1.8
71.01347	4.6
71.04996	9.0
73.02935	8.5
73.69901	1.6
73.89201	1.6
79.05499	40.4
81.03421	27.8
81.07056	43.6
83.01353	10.5
83.04984	24.0
83.08623	23.5
85.02911	21.9
85.06542	3.7
86.69143	1.9
87.04467	6.1
91.03962	3.2
91.05479	27.2
93.07042	39.4
95.04957	12.7
95.08605	17.3
95.16245	1.9
97.02912	9.4
97.06535	9.6
97.10172	14.9
98.20818	1.7
99.04465	3.8
105.07030	16.5
107.04968	13.5
107.08595	25.5
109.02876	3.1
109.06499	9.3
109.10157	62.3
111.04438	6.7
111.08064	4.1
117.07021	12.3
119.08585	17.5
121.06498	4.2
121.09381	2.0
121.10118	12.0
123.04500	1.8
123.08069	9.2
125.06014	2.4
125.09640	18.4
129.06999	3.0
131.08586	7.7
133.10138	7.1
135.08095	3.2
135.11667	15.5
137.09636	6.5
141.56245	1.9
142.70917	1.6
143.10689	3.3
145.10118	22.7
147.08057	4.8
147.11711	2.8
149.09573	3.0
151.11136	4.1
153.09001	1.6
153.12729	5.6
155.08568	2.4
155.10638	3.2
163.11162	40.4
173.09630	5.1
173.11726	20.4
181.12253	6.2
191.10649	9.7
199.13303	6.9
209.11714	21.0
211.13246	2.6
212.23488	1.7
227.12784	19.0
229.14325	50.0
238.31654	2.1
241.62830	1.8
253.14455	3.9
265.14291	3.1
267.15985	4.4
283.15396	100.0
291.19885	1.9
294.21298	2.1
299.15192	1.8
301.16504	16.3
422.54803	2.0
425.25192	4.1
437.25345	22.5
459.27328	2.2
477.28229	2.5
491.26419	11.5
509.27466	85.8
527.28455	56.4
670.34503	3.7
684.02930	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	706.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.5
53.03939	2.6
55.01867	3.9
55.05512	13.8
57.03439	11.5
59.04996	2.5
61.02925	4.4
65.03949	1.4
67.05504	19.1
69.03436	4.8
69.07069	5.2
70.06596	0.8
71.01351	1.5
71.05003	2.9
71.49670	1.2
72.08173	0.5
73.02911	1.7
79.05498	18.4
81.03421	42.0
81.07060	24.7
81.07547	1.1
83.01353	0.9
83.04987	11.4
83.08623	22.5
85.02910	18.0
85.06538	2.0
86.09719	1.0
91.03966	1.3
91.05483	28.6
93.07045	18.8
95.04967	19.2
95.05582	0.8
95.08601	7.2
97.02888	6.5
97.06544	7.2
97.10184	3.2
99.00819	10.9
99.04447	1.6
99.08109	1.3
103.05479	1.5
105.07036	20.2
107.04950	9.6
107.08601	9.0
109.02876	7.5
109.06535	4.4
109.10146	5.3
111.04449	3.6
111.08083	10.3
113.05996	2.1
115.03925	2.1
115.05451	1.1
116.01637	0.5
117.07006	3.0
119.04929	1.1
119.08585	16.4
121.06514	6.1
121.10149	6.6
123.04428	2.0
123.08041	3.2
123.11736	2.6
125.06039	0.9
125.09623	2.4
127.03949	4.0
127.07588	0.5
128.06238	1.3
129.07008	7.0
131.08562	7.1
133.06566	2.6
133.10133	32.0
135.08076	1.8
135.11699	2.9
137.05974	1.5
137.09602	2.0
139.03931	0.9
139.07494	2.6
142.07869	1.2
143.08534	3.2
145.06467	0.9
145.10135	3.1
147.08061	2.5
147.11671	8.5
149.09625	3.7
151.11195	8.1
157.10127	10.0
161.09619	12.8
163.11218	4.0
165.09088	1.1
165.12784	2.6
167.07021	0.6
171.08046	2.5
172.07268	0.5
173.09589	0.8
175.11186	10.9
179.10669	8.0
181.12286	1.4
189.09119	6.3
189.10901	0.7
191.10695	1.1
193.12247	28.6
197.11678	1.6
199.29974	0.6
207.10222	2.7
207.17830	0.5
209.11768	1.9
211.13290	47.3
219.13828	1.0
225.11235	7.7
227.12766	3.5
229.14487	0.9
243.12305	2.2
249.14729	0.7
265.14450	1.7
267.15942	16.1
281.13727	3.6
283.15353	6.1
285.16962	39.9
291.64648	0.7
299.14883	55.9
300.15536	0.8
301.16443	2.9
324.77460	0.5
445.25797	1.3
463.27026	0.7
473.25143	3.1
487.17532	1.2
491.26373	17.8
509.27472	100.0
510.27893	1.1
527.28540	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	707.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34826	0.5
66.14431	0.5
69.03429	1.2
71.48978	0.6
77.00881	0.6
78.28052	0.5
81.03423	0.6
81.23648	0.5
82.99860	1.2
85.02896	2.0
97.02882	1.5
98.97565	0.9
101.00833	2.4
109.02850	0.6
112.89595	0.6
113.00878	0.6
119.01922	10.7
122.01393	0.8
122.37994	0.6
127.02397	0.7
127.03954	1.1
131.01924	3.7
133.03427	0.7
137.01930	1.1
137.02933	1.7
139.02388	0.6
143.01883	10.5
143.02927	0.8
145.03476	6.2
145.04651	0.6
145.04939	0.5
146.35320	0.5
147.01369	0.8
149.02914	0.7
152.02461	0.8
153.03809	0.5
155.01878	7.3
157.03511	3.9
158.02437	0.8
161.01559	0.9
161.02951	16.5
163.04482	2.1
167.01831	3.6
169.03468	2.2
171.05023	1.8
173.02968	15.5
175.04514	1.9
179.01865	1.1
184.04527	0.6
185.02930	28.4
187.04521	4.0
188.03294	0.5
191.03983	1.2
194.03577	0.8
196.04250	0.5
197.02965	10.9
199.04558	0.7
202.02299	0.7
203.03906	11.9
203.54062	1.1
208.04601	0.7
209.03009	1.0
210.51434	0.6
212.04602	0.6
215.04019	7.8
219.01694	0.7
221.03059	1.4
221.05069	5.8
224.04578	1.2
227.04022	6.1
233.04974	1.2
237.02742	0.8
239.04063	1.6
239.06136	6.1
245.05057	100.0
246.05212	2.7
254.05544	0.7
255.03893	0.8
257.05130	4.3
261.02734	0.7
262.54587	0.8
263.06149	23.1
264.06235	0.8
275.06113	35.6
276.06189	0.6
281.04849	0.6
284.06610	1.8
284.56784	1.3
286.07809	1.0
287.06256	0.7
293.07202	3.9
304.09222	0.6
305.07153	14.4
317.07202	1.1
323.08154	0.6
329.06989	0.7
335.08151	3.6
347.09457	2.5
365.09848	59.8
365.59122	1.0
366.09656	2.3
383.10449	11.4
401.11078	0.6
425.11441	52.4
426.11520	2.4
437.11392	4.0
443.10757	0.9
455.12390	3.4
475.14304	7.1
485.13358	1.8
545.13116	1.8
707.22296	11.7
708.18536	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	707.21
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63117	0.7
69.63529	2.0
70.48058	0.4
76.70739	0.4
82.99847	0.8
94.99908	0.5
100.28631	0.4
101.00848	3.0
112.89590	1.1
113.00916	0.7
119.01921	12.0
122.01416	0.5
127.02409	1.0
129.00348	0.6
131.01900	6.3
131.51929	0.5
133.03459	0.6
137.01886	1.9
137.02956	1.9
139.02415	0.4
143.01897	13.8
144.01875	0.6
145.03462	7.6
147.01331	1.1
149.02994	0.6
152.02399	1.0
153.04076	0.4
155.01900	8.1
157.03473	4.6
161.02969	21.2
163.04543	1.9
167.01904	4.8
169.03511	2.3
171.05005	3.0
173.02969	20.6
173.04135	0.4
174.03023	0.7
175.04538	1.7
177.00844	0.4
177.02434	0.5
179.01811	1.9
182.03555	0.6
185.02960	36.3
186.03181	0.7
187.04512	3.6
188.03455	0.5
189.06195	0.6
191.03995	1.2
197.02960	13.8
199.04536	0.7
203.03978	14.1
203.05751	0.7
203.49590	0.4
203.54134	0.9
209.03023	1.1
215.04012	10.4
221.03351	0.6
221.05098	3.9
224.04410	1.2
227.04002	8.4
233.05057	0.7
239.04037	1.2
239.06160	3.8
241.03972	0.5
245.05072	100.0
246.05225	1.3
257.05084	5.2
262.75208	0.5
263.06137	23.7
264.06067	0.4
275.06125	25.4
276.06360	0.5
284.06689	2.4
284.56653	0.7
286.07678	0.7
287.06042	0.6
290.88116	0.5
293.07233	3.9
299.06061	0.7
305.07135	12.6
317.07138	0.9
335.08261	4.2
347.08109	0.8
365.09360	40.6
365.59286	0.5
366.09732	0.7
383.10403	8.1
394.58713	0.7
407.10318	0.7
425.11426	45.5
426.11496	0.6
437.11551	4.0
449.11429	0.4
455.12302	2.0
485.13525	0.8
509.13705	0.5
512.58319	0.5
526.27557	0.5
545.13232	0.9
707.19165	4.1
729.57867	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	708.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01869	16.1
55.05512	33.1
56.96556	1.7
57.03434	27.9
57.07069	2.2
58.63440	1.2
59.04997	1.7
61.02930	8.2
65.03938	5.8
67.05504	55.4
69.03431	9.8
69.07069	17.0
69.95358	2.0
69.95750	3.8
70.06589	1.7
71.01371	2.2
71.04990	8.2
73.02905	6.7
77.03927	1.3
78.04712	1.3
79.05025	1.8
79.05492	56.7
81.03419	98.8
81.07056	48.8
82.04204	3.8
83.04502	2.2
83.04980	30.3
83.08618	33.0
85.02903	31.6
85.06546	5.1
87.04493	1.4
90.82623	1.2
91.03986	3.0
91.05484	56.5
91.66904	1.2
92.82022	1.2
93.07043	40.0
95.04969	47.5
95.05574	2.8
95.08606	20.5
97.02891	13.5
97.06527	22.9
97.10161	15.9
98.07321	5.3
98.21581	1.5
99.04454	2.2
99.08103	1.9
101.09660	1.5
103.05436	1.9
105.07026	34.5
105.07716	2.4
107.04958	19.1
107.08591	20.7
109.02879	2.2
109.06523	9.8
109.10154	19.8
111.04439	7.7
111.08078	18.4
113.06011	4.3
115.05474	1.8
116.04699	12.2
117.07014	7.6
119.04932	2.1
119.08587	27.6
121.06487	6.0
121.10129	17.9
123.04429	1.6
123.08064	8.1
123.11675	1.7
125.06004	2.0
125.09621	19.1
127.03896	1.2
127.07558	2.5
129.05490	27.6
129.06979	15.5
131.08559	21.4
133.06502	3.6
133.10127	17.7
135.04411	1.7
135.08049	3.8
135.11690	9.6
136.08830	1.7
137.09608	5.5
142.07770	4.3
143.07059	5.6
143.10677	1.6
145.10098	9.8
147.08026	8.2
147.11693	24.0
149.09595	11.1
149.44223	1.2
151.11230	3.2
153.09151	1.9
153.12761	5.1
157.08614	12.1
157.10132	17.8
163.03960	2.1
163.11176	16.1
165.12729	5.2
167.07072	1.3
170.07181	1.1
171.06537	2.4
171.10228	4.8
173.09631	3.4
173.11757	7.6
175.11177	22.6
175.12569	1.5
181.12277	5.3
185.11850	1.2
187.07423	1.3
189.11229	6.2
191.10606	5.7
193.12244	75.9
194.12550	2.2
199.13274	14.0
200.14104	2.0
209.11734	9.9
210.12523	2.2
211.13281	100.0
212.13715	2.8
212.35712	1.3
215.07024	1.9
227.12772	17.3
229.14392	10.0
239.66936	1.2
247.13275	1.7
249.14899	2.5
255.15959	4.0
259.09634	2.0
265.14386	2.4
267.15903	37.3
268.15997	1.4
283.15387	21.3
284.16141	1.8
285.16949	67.4
286.17422	1.7
301.16443	63.3
302.16763	2.6
324.36908	1.7
331.39008	1.3
339.18051	2.1
409.25787	3.3
421.25781	5.0
427.26797	3.8
439.26874	15.5
459.27325	3.1
475.26874	4.9
476.27676	1.9
477.28262	4.6
488.17587	2.7
493.27921	34.3
494.28296	6.4
511.29010	62.3
512.29370	2.7
708.39587	1.5
709.36047	2.4
714.36230	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	710.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.01870	3.0
55.05519	8.3
56.02168	1.3
56.96571	3.7
57.03434	6.4
61.02915	2.6
61.46607	1.3
67.05505	32.1
69.03438	4.7
69.07075	10.9
69.68185	11.0
70.06591	6.1
71.04986	5.5
73.02889	2.5
76.23252	1.4
79.05499	17.6
79.43142	1.4
81.03426	34.8
81.07055	22.5
83.04993	8.5
83.08620	7.9
84.08110	2.1
85.02917	5.9
85.06512	3.5
86.09702	2.4
91.05486	23.6
93.07049	15.6
95.04972	14.2
95.08615	6.8
97.02888	4.6
97.06536	14.8
97.10161	2.2
98.06884	1.7
101.02370	1.8
102.30395	1.6
105.07040	20.5
107.04961	4.7
107.08595	16.0
109.02862	2.1
109.06512	5.1
109.10162	30.2
111.04457	2.3
111.08068	3.6
113.05979	2.0
116.98457	8.3
117.07034	2.4
117.67445	1.7
119.08588	6.5
121.06478	1.8
121.10168	4.9
123.08074	1.7
123.11713	5.0
125.09645	3.4
127.07577	2.4
128.98453	1.9
129.07030	5.4
131.00037	6.6
131.08565	4.6
133.10130	36.9
134.99660	2.2
135.04399	2.1
135.08049	2.5
135.11687	3.9
137.09593	2.3
140.98477	7.0
142.98036	2.3
143.00031	6.9
145.01587	2.1
145.10146	4.1
147.04459	1.7
147.08044	2.1
147.11726	3.7
149.01151	3.0
149.09587	2.0
151.11189	18.9
153.02133	1.9
153.99327	1.7
155.00005	2.5
157.01637	2.4
157.10133	3.5
161.01083	4.0
163.00470	1.9
163.03889	4.3
163.11223	2.3
164.04251	1.5
169.12267	3.9
173.01099	4.5
173.09612	1.7
174.98999	9.3
175.11223	4.6
175.99481	1.8
176.98499	1.6
177.00755	1.6
181.12206	1.5
185.01125	2.4
189.00562	15.4
190.01012	2.2
191.00105	3.2
193.12239	13.1
199.02655	4.4
200.03020	2.5
201.04247	3.5
209.11847	1.8
211.02605	1.6
211.13330	4.9
212.13550	1.8
215.12878	2.3
217.03656	2.6
241.47212	1.6
243.08820	1.7
247.08676	1.9
253.14363	100.0
259.09741	4.2
260.09995	2.2
267.08926	1.6
267.15936	43.8
268.16165	1.8
269.17303	1.9
271.15387	19.9
285.16891	2.3
341.08868	1.7
342.09503	2.7
348.11954	2.5
365.12564	14.3
365.16513	3.8
366.12772	16.3
366.16376	1.7
367.12427	2.8
383.13553	16.6
383.17786	2.6
384.13794	19.7
385.13092	4.4
389.23004	2.0
402.15063	2.7
424.16492	2.2
445.25839	18.4
463.26901	65.3
495.29370	5.4
505.27625	2.2
710.37091	10.2
711.30566	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	710.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42508	0.7
53.03939	3.1
55.01862	3.8
55.05512	12.3
57.03438	11.0
57.07046	0.8
61.02917	1.3
65.03935	1.4
66.28795	0.6
67.05508	13.7
67.18209	0.7
69.03431	3.5
69.07059	6.6
70.06581	1.9
70.63849	2.3
71.04980	3.2
72.08150	0.9
73.02909	1.6
79.05035	0.9
79.05495	20.5
81.03417	79.1
81.06608	1.2
81.07058	20.6
83.04974	10.0
83.08617	19.1
84.08160	1.6
85.02905	12.5
85.06519	0.9
86.09680	2.1
91.05480	24.1
92.05721	0.7
93.06508	1.1
93.07046	14.1
95.04965	27.0
95.08606	8.6
97.02885	5.1
97.06516	7.7
97.10161	4.8
98.32866	0.8
99.08083	1.3
103.76665	0.8
105.07028	17.7
107.04954	8.0
107.08582	6.6
109.02878	1.3
109.06508	5.0
109.10148	3.6
111.04425	2.2
111.08069	8.0
112.57883	0.7
113.05988	0.9
115.05447	1.8
117.06982	2.1
119.04953	1.8
119.08579	17.1
121.06510	5.0
121.10161	7.2
123.04403	1.7
123.08061	3.1
123.11649	1.3
125.09626	3.3
127.03887	1.0
127.07573	0.7
128.06197	0.7
129.07014	10.3
131.04945	1.3
131.08571	10.2
133.06502	4.0
133.10149	7.4
135.04413	0.9
135.08041	1.5
135.11647	1.6
136.07578	0.7
137.05936	1.8
137.09604	2.1
141.06932	1.1
142.07764	3.4
143.08524	1.8
145.06474	4.9
145.10112	1.9
147.04439	0.9
147.08057	5.3
147.11699	9.9
149.09596	6.3
152.22578	0.9
153.09042	0.8
155.08571	1.0
157.10136	13.2
159.07993	0.9
161.06042	1.2
163.03926	1.8
163.11192	1.6
165.05455	1.2
165.12738	3.0
171.07999	1.5
171.52077	0.8
175.11188	11.1
183.08066	1.1
189.11235	1.3
193.12247	30.1
195.11748	1.0
205.12256	1.2
211.13278	19.0
211.15302	1.0
219.13789	1.4
223.13203	1.0
227.12682	1.1
229.14455	1.3
233.15370	1.7
249.14937	3.1
255.13808	2.3
259.09857	1.8
267.15912	100.0
268.16309	0.9
273.14838	3.1
285.16971	21.0
299.05420	1.3
301.14322	0.9
349.21707	2.4
367.22681	9.8
385.23718	11.2
403.24997	3.9
405.24387	1.3
415.25000	1.4
433.25928	13.6
441.26270	4.9
459.27414	68.2
460.27536	2.1
477.28473	43.7
495.29150	2.6
501.28668	1.0
519.29163	1.4
627.60547	0.8
677.40161	1.0
710.39063	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	714.551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38798	0.6
53.03939	1.2
53.92014	0.6
55.05519	5.4
56.05043	4.6
57.07074	3.4
57.54426	0.5
58.06587	0.9
60.04510	2.4
64.62678	0.5
67.05503	10.1
67.60720	0.6
68.05011	0.8
69.07065	5.7
70.06581	1.6
71.08632	1.4
71.40837	0.8
71.41160	0.7
79.05493	9.1
80.04993	3.3
81.05791	1.2
81.07059	9.9
81.42468	0.7
82.06580	5.8
83.08636	4.8
85.02895	2.0
85.10176	0.7
91.05480	8.2
93.07042	8.7
94.06568	15.5
94.12683	0.6
95.04960	0.9
95.07347	7.2
95.07936	0.6
95.08038	0.8
95.08593	7.9
96.08140	4.9
97.02890	0.9
97.10165	2.5
105.07024	5.2
107.08581	5.3
108.08094	2.0
109.10169	3.0
110.09716	1.0
119.08569	4.6
121.10122	5.3
122.09663	3.0
123.11732	1.5
128.18301	0.6
133.10155	3.2
133.54808	0.6
135.11670	2.5
136.11195	0.6
147.11684	1.7
147.16788	0.7
149.13206	1.8
210.58220	0.6
212.92558	0.8
233.22731	3.1
245.22714	3.6
250.25290	8.7
254.24809	0.8
262.25293	100.0
263.25797	3.3
272.25784	4.3
280.26315	7.3
282.79776	0.8
312.25397	0.7
504.47623	4.4
516.47705	23.0
517.47913	1.6
518.49365	4.2
534.48785	15.7
535.49622	1.1
696.53882	3.3
697.53821	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	715.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
54.31652	0.3
55.01869	0.7
55.05504	1.4
56.96562	0.4
57.03438	2.0
57.30647	0.3
61.02934	4.4
65.03941	0.5
67.05504	2.3
69.03438	2.6
69.07068	1.3
70.06595	1.6
71.01363	0.8
71.05005	1.1
72.08147	0.4
73.02918	2.8
79.05500	3.5
81.03423	5.9
81.07059	3.7
83.04983	1.0
83.08619	1.5
84.04500	0.5
84.08150	1.1
85.02909	6.4
85.06550	0.4
86.09715	1.1
87.04488	0.6
91.03964	2.7
91.05483	4.6
93.07050	3.2
95.04980	2.8
95.08601	1.6
97.02896	3.4
97.06548	2.7
97.10197	0.4
99.04460	1.1
101.02399	1.9
103.03964	0.5
105.07040	2.9
107.04951	1.2
107.08575	1.6
109.02880	1.6
109.06529	0.8
111.04450	0.9
111.08084	0.9
115.05405	0.5
119.08585	2.1
120.08130	0.8
121.10168	2.8
123.08072	0.5
125.09631	0.6
127.03954	1.8
128.06247	0.3
129.07007	0.8
129.10233	1.1
131.04948	0.4
131.08598	1.4
131.51689	0.3
133.06448	0.3
133.10172	1.2
137.05968	2.7
137.09636	0.6
139.11212	1.1
142.07916	0.3
145.04915	0.6
145.10118	0.5
147.11732	1.6
149.09575	1.9
151.03976	0.7
151.07562	0.4
152.05708	0.4
157.10164	1.5
161.05962	0.5
163.03934	0.9
165.05545	0.9
167.07069	1.3
167.10620	0.4
175.07425	0.3
175.11256	1.1
177.05569	0.5
181.04967	0.4
183.06583	0.4
185.04295	0.5
187.07536	0.4
189.50052	0.4
193.12270	2.5
211.13286	0.9
223.26953	0.3
225.11070	0.6
233.33243	0.3
235.83493	0.3
243.08356	2.5
251.12685	1.7
252.16095	0.4
255.02226	0.4
259.09811	0.9
267.15961	0.6
269.13678	1.4
281.13672	0.4
285.17078	0.5
307.15128	0.6
337.27722	0.5
443.18863	4.3
469.20486	11.3
487.21585	5.1
501.40375	0.3
518.61115	0.5
535.29828	0.3
541.23016	0.7
671.32452	2.8
697.34149	1.6
715.35095	100.0
716.35614	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	716.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01877	2.0
55.05507	2.2
56.68882	1.0
57.03435	6.6
57.07054	1.4
59.04996	4.7
61.02921	3.1
62.63821	0.8
66.74561	1.0
67.05504	8.9
69.03431	13.0
70.06584	3.9
71.01340	4.3
71.04986	5.2
71.10020	2.4
71.55752	1.0
72.08158	1.0
73.02911	4.5
75.04486	5.5
77.03901	1.0
79.05494	21.0
81.03423	6.1
81.07059	2.2
83.04507	1.4
83.04979	19.7
84.08144	1.2
85.02907	9.3
85.06549	2.3
87.04465	4.4
89.06030	1.3
91.05478	5.7
93.07037	6.1
95.04967	39.8
95.08608	1.2
96.69854	0.9
97.02884	6.7
97.06543	1.7
103.03932	4.7
103.05473	7.1
105.03396	1.1
105.07020	2.5
106.47300	1.0
107.04953	86.6
109.02147	2.2
109.02872	32.4
109.06512	11.2
111.04449	2.2
113.05257	1.9
113.06006	25.3
121.06514	15.4
122.34836	1.0
123.00778	3.1
123.04417	6.5
123.08065	1.2
124.48724	1.0
125.02325	9.1
125.05997	3.0
127.03915	5.3
129.05481	1.0
131.04927	4.9
131.07036	24.4
131.71599	1.0
133.02837	1.8
133.06552	1.5
135.04411	100.0
137.05994	2.2
139.02841	1.7
139.03899	23.6
139.07532	1.7
141.05463	2.2
145.04921	2.2
149.05998	23.3
149.08063	11.9
151.03900	27.2
153.05444	15.0
159.04399	4.6
159.06531	2.7
161.05971	1.0
165.05482	46.9
166.05833	1.2
167.03406	1.3
167.07034	23.3
167.09114	10.7
173.08113	2.1
177.05472	45.6
177.07518	5.0
179.07065	1.3
181.08575	1.5
191.07033	9.8
195.05101	0.9
195.06519	61.1
209.08087	63.9
213.07651	2.8
227.09143	25.4
255.08701	1.3
262.60016	1.0
307.11627	5.4
325.12799	29.3
339.10675	6.9
339.14410	4.1
343.13858	35.7
346.49121	1.0
351.60547	1.2
357.15485	4.3
375.16541	8.9
384.10675	0.9
410.54196	1.3
469.16528	1.4
487.18033	3.3
505.19086	2.7
533.17950	1.1
534.26581	1.0
668.09332	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	718.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05441	0.7
57.07046	0.7
61.02935	1.2
65.03941	1.5
67.05497	1.5
67.35634	0.7
69.03438	4.0
70.06588	2.8
70.47083	1.5
70.47448	1.8
71.04988	0.8
72.08143	1.3
79.05478	2.2
80.04992	1.2
81.03412	1.3
81.05767	0.9
82.06584	1.3
84.08129	1.5
85.02903	9.0
86.09695	1.5
91.05481	3.1
93.07042	7.5
93.21035	0.8
94.06557	6.0
95.04980	2.0
95.07346	7.6
95.08611	1.0
96.08129	17.1
97.02888	3.6
97.06519	3.1
97.55351	0.7
103.05483	1.5
106.06542	0.9
107.07331	1.7
108.07381	0.9
108.08119	16.4
109.02899	1.2
109.08899	2.1
110.06034	0.8
110.09682	34.1
120.04469	1.6
120.08107	23.2
121.06519	1.5
122.06041	3.6
122.09676	1.0
124.07598	7.1
127.03900	1.3
136.07587	14.5
137.05969	1.3
138.05542	1.9
138.09140	42.6
144.04428	3.4
146.06018	3.8
147.17091	0.8
148.07574	7.7
150.09149	4.6
150.24890	0.8
152.07056	5.5
154.08585	1.1
160.74689	0.9
162.05447	1.2
164.07079	1.3
165.05382	0.9
166.08643	91.9
169.51323	0.8
172.03949	14.7
174.05531	1.7
180.06567	1.0
190.05003	9.5
191.07047	1.3
192.06544	1.2
198.07619	1.1
204.06570	19.6
206.08107	2.6
211.08688	2.3
223.08702	3.3
224.09457	1.4
225.10199	4.2
227.08142	3.5
227.11772	1.8
235.08597	1.2
237.10239	10.6
238.11034	1.7
239.08180	5.6
239.11786	3.0
241.09734	4.0
243.11482	1.6
249.10356	0.9
250.07336	1.0
250.11031	0.9
251.08067	6.2
252.09026	1.8
253.09756	13.6
255.07608	1.3
255.11436	3.8
255.13760	0.8
259.09448	1.0
265.09738	25.1
266.07922	1.1
266.10516	3.3
267.07990	5.3
267.11200	8.1
268.08652	0.9
269.09299	3.0
269.12354	1.0
277.09631	1.2
279.07611	6.2
279.11105	1.8
281.09195	18.3
283.10764	12.8
285.12125	0.8
287.10291	4.6
293.09247	19.5
294.09970	2.9
295.10812	13.1
297.08957	1.4
297.12366	3.1
299.10269	7.2
299.13354	1.3
301.11905	1.4
307.10834	2.2
309.08731	4.6
309.12015	1.3
311.10257	17.5
313.11865	2.2
315.13370	2.2
321.08676	15.5
325.11841	11.9
327.09763	16.1
327.13333	1.9
330.16116	0.9
331.12527	1.6
335.10165	1.1
336.08725	1.8
339.09760	28.5
341.11322	7.4
343.12866	3.6
344.13956	1.1
346.15512	1.0
353.11325	10.9
357.14554	3.7
359.12335	40.5
368.11215	1.3
371.12369	21.2
373.14053	0.9
385.13925	1.1
388.16580	2.3
391.15094	1.6
400.16516	1.3
416.15604	1.0
418.17603	5.3
428.16003	1.4
436.18793	2.3
446.17139	7.1
448.18918	3.9
464.11493	1.0
464.18182	17.7
474.16544	6.9
478.19629	1.3
480.21298	3.9
487.17038	5.5
492.17673	100.0
506.19217	16.6
510.18472	1.8
524.20313	88.5
525.20282	1.4
538.21802	2.6
636.21844	1.4
654.23425	5.3
668.23907	1.6
686.25525	2.7
700.26483	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	718.473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49217	1.1
55.01876	2.6
55.05516	7.6
57.03435	11.5
57.06805	1.6
57.07076	27.2
61.02912	1.4
65.03915	1.4
65.23162	1.0
67.05502	13.1
69.07072	8.4
71.04977	2.4
71.08631	21.9
73.02930	1.4
79.05494	15.7
81.03423	1.8
81.07053	22.9
83.04987	2.9
83.08620	14.3
85.02919	2.0
85.10188	12.8
89.06047	3.0
90.18792	1.1
91.05473	4.5
93.07047	26.4
95.04958	3.1
95.08603	38.8
97.02921	3.4
97.06515	3.1
97.10170	4.5
99.04479	3.9
105.07042	4.7
107.04971	6.7
107.08589	17.9
109.06522	1.5
109.10155	7.9
111.04468	1.1
111.08087	1.6
117.07012	5.3
119.08550	6.1
121.06512	4.0
121.10135	11.9
123.11707	3.0
125.05987	2.5
130.07776	1.6
133.10094	2.0
135.08066	2.4
135.11691	40.8
136.06117	1.3
139.07587	1.6
145.10132	22.7
153.12793	1.4
163.11183	58.7
181.12227	8.4
209.11687	1.4
227.12778	62.2
228.13297	1.5
229.30614	1.4
239.23677	2.1
257.24683	2.5
283.12985	1.7
283.15396	86.5
313.27365	100.0
314.27753	1.6
411.15234	1.2
521.38379	97.0
522.38690	2.3
532.03558	1.3
558.74292	1.2
622.27594	3.3
718.47125	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	718.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87428	0.6
53.03938	1.0
55.01872	4.4
55.05286	0.8
55.05515	9.9
57.03173	0.7
57.03437	9.4
57.06807	1.4
57.07076	22.6
59.04995	1.4
61.02920	3.4
67.05506	11.2
68.37322	0.6
69.03420	0.9
69.07071	7.2
69.67928	0.6
69.72098	4.4
71.01340	1.1
71.04987	2.3
71.08627	16.8
73.02912	1.2
79.05494	9.2
81.03423	5.5
81.07057	14.4
83.01340	6.4
83.04988	7.0
83.08623	11.5
85.02891	4.2
85.06545	0.7
85.10186	8.7
86.28237	0.9
86.64002	0.7
89.06023	1.4
91.03967	1.3
91.05492	5.7
93.06500	1.3
93.07041	13.0
95.04974	4.0
95.08609	14.1
97.02874	3.8
97.06507	1.8
97.10172	3.0
98.20784	1.4
99.04449	2.0
103.07600	0.9
105.07040	5.4
107.04971	5.3
107.08607	5.3
109.06562	3.1
109.10147	4.4
111.04466	1.2
111.11736	0.8
117.06991	4.2
119.08578	5.0
121.06513	2.3
121.10156	4.2
123.08065	4.0
123.11674	1.8
125.05962	0.7
128.06128	0.8
129.07036	0.9
131.08571	2.0
133.10130	0.7
135.07991	1.1
135.11694	6.9
137.09599	0.8
137.13222	0.7
143.08516	0.8
145.10123	8.7
147.08037	1.0
153.12738	1.7
155.08443	0.9
163.11197	13.0
173.09644	1.4
181.12247	1.7
191.10664	2.2
209.11661	4.1
227.12813	2.9
239.23628	0.9
283.15393	100.0
284.15775	1.5
313.27365	77.4
314.27780	0.8
521.38361	55.6
522.38483	0.9
718.44684	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	720.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
55.05513	13.7
57.00912	1.4
57.03437	17.0
57.07079	30.0
61.02919	3.9
65.03953	1.5
67.05507	24.7
69.03416	4.4
69.07072	10.6
71.04986	2.4
71.08640	19.8
79.05496	18.5
81.03420	46.1
81.07058	29.5
83.04978	11.3
83.08624	25.5
85.02906	21.3
85.10185	12.2
89.05979	1.6
91.03932	2.1
91.05489	20.1
93.07044	10.7
95.04968	18.4
95.08614	24.7
97.02884	5.1
97.06507	3.8
97.10158	7.2
98.20810	3.5
105.07034	17.5
107.04985	3.6
107.08600	4.4
109.06518	4.5
109.10133	10.3
111.08074	7.2
113.06010	1.7
119.08573	10.7
121.10140	6.1
123.08098	3.3
123.11694	3.1
129.07004	7.3
131.08545	9.4
133.06471	2.3
133.10132	8.4
142.07761	2.5
147.08049	2.1
147.11703	10.9
149.09613	5.0
157.10179	9.0
165.12709	2.9
175.11201	11.8
193.12238	35.9
211.13290	54.6
239.23650	2.8
247.38298	1.9
257.24942	2.0
267.15927	15.3
285.16974	69.3
286.17371	3.3
313.27374	75.1
465.35596	2.0
505.38870	16.6
523.39960	100.0
524.39923	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	722.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01873	4.3
55.05513	11.9
57.03444	9.8
57.07098	0.9
59.04990	1.0
61.02915	2.4
62.96400	0.6
65.03945	0.8
67.05511	14.3
69.03421	2.8
69.07066	4.0
69.35836	4.3
69.36259	1.6
71.01315	0.8
71.04980	2.6
71.80860	0.6
73.02911	1.4
79.05500	13.9
81.03423	40.0
81.06599	1.0
81.07057	13.7
83.01327	3.5
83.04990	7.9
83.08627	13.0
85.02905	5.1
91.03945	0.8
91.05482	13.4
93.07045	14.9
95.04971	13.6
95.08613	6.1
97.02904	3.4
97.06537	2.6
97.10162	6.2
99.04452	1.2
99.08076	0.7
105.03360	0.7
105.07042	11.0
107.04966	9.2
107.08601	7.6
107.22691	0.6
109.02885	1.1
109.06512	4.8
109.10143	5.5
111.04465	2.2
111.08090	4.6
113.83617	0.7
115.05491	0.8
117.07007	4.0
119.04936	1.0
119.08588	9.1
121.06518	3.7
121.10137	5.9
122.23522	0.6
123.04418	1.1
123.08076	5.2
125.02340	0.8
125.06003	0.7
125.09650	5.7
127.03931	0.9
128.06221	0.7
129.06993	5.3
131.04916	0.9
131.08572	5.7
133.06490	1.8
133.10141	2.8
135.04456	0.8
135.08052	2.2
135.11690	6.0
137.09630	1.9
139.03871	0.7
142.07756	1.5
143.08565	1.5
145.06464	1.8
145.10127	8.1
147.04465	0.9
147.08011	4.0
147.11708	3.9
149.09625	2.6
153.09134	1.3
153.12762	2.1
155.08603	1.8
157.06468	1.1
157.10117	3.8
159.08080	1.5
161.05975	3.0
161.09502	0.8
163.11189	11.5
173.05890	0.9
173.09668	3.1
173.11740	0.8
175.11182	3.9
181.12288	2.1
183.11726	0.7
185.09561	0.9
189.09174	0.9
189.11269	1.4
191.10606	1.9
193.12238	10.1
197.09608	0.7
199.14900	0.7
200.89285	0.7
205.12329	1.3
209.11743	2.3
211.11287	0.8
211.13318	2.2
213.12738	1.1
225.12889	0.7
227.12802	3.4
229.11960	0.8
231.13812	1.7
239.10745	0.7
243.08894	0.8
247.08533	1.3
249.14886	1.4
260.68265	0.7
265.14450	1.3
267.09088	1.9
267.15939	27.6
269.15421	1.1
271.13278	1.2
273.14938	2.7
283.15424	21.1
285.10098	4.4
285.17096	1.3
289.14337	3.4
303.16367	0.8
305.10727	0.6
309.17096	0.7
323.16599	0.7
329.14319	1.8
337.21631	1.3
355.22763	1.6
365.20999	3.3
373.23621	1.0
383.22202	17.8
384.22415	1.4
391.19653	1.4
401.23190	8.6
419.23972	1.7
421.23892	0.8
431.24246	1.4
439.24777	2.5
445.26404	0.8
457.25848	27.7
458.26276	1.2
475.26929	100.0
476.27167	4.6
493.21234	1.3
493.27911	11.5
517.28131	1.2
541.27820	0.9
607.35394	0.7
693.68872	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	723.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	5.0
62.78562	0.3
69.87725	1.5
84.96026	2.3
85.02892	0.4
94.92984	0.5
98.21511	0.4
98.97578	19.0
102.97028	0.7
108.95762	0.3
110.97554	4.6
112.44919	0.3
112.89625	1.6
114.89280	0.4
116.98618	14.4
120.24869	0.3
120.98129	0.3
123.99535	0.4
124.99118	0.3
127.03792	0.4
128.98601	9.6
129.60857	0.3
131.00133	0.6
134.99663	8.6
140.00166	0.3
140.98575	1.5
143.00168	4.8
146.99654	9.3
149.01167	0.7
152.67171	0.3
152.98596	0.9
153.00668	0.8
158.99646	10.1
161.01224	9.4
161.02684	0.5
162.99155	0.6
165.00711	1.5
168.00247	0.3
170.98215	0.6
170.99648	9.5
173.01196	1.3
173.02753	0.4
174.99106	0.6
175.02693	0.4
177.00719	14.6
179.02231	1.4
182.99634	5.5
185.01207	0.6
189.00705	17.9
190.00858	0.3
191.02284	0.9
193.00182	0.5
194.99623	0.4
195.01715	1.9
200.02248	0.4
201.00706	32.6
202.00978	0.4
203.02196	0.9
207.00021	0.3
207.01799	2.4
208.60748	0.4
213.00618	2.1
219.01767	33.7
220.02109	0.5
224.02440	0.5
225.00665	0.4
230.99529	0.4
231.01755	4.8
232.92302	0.7
235.04681	0.4
237.02820	23.9
238.03415	0.4
240.02367	0.6
242.03333	0.8
243.01772	10.6
245.04991	0.8
248.89583	0.4
249.02823	0.5
250.91890	0.3
255.03871	15.3
260.04419	0.4
261.02820	62.4
262.03207	1.1
273.02740	3.7
279.03873	42.6
280.04175	0.7
283.03336	0.4
284.04388	0.6
291.03851	14.2
297.04965	2.0
302.05438	2.4
303.03848	1.1
303.33102	0.4
306.85394	1.2
309.04868	2.4
315.03622	0.7
321.04929	23.3
322.05234	0.6
333.04935	3.5
345.04440	0.3
351.06006	7.4
363.06049	1.9
365.10580	2.9
381.07083	24.0
382.07568	1.1
399.08102	28.8
399.37402	0.3
400.08368	0.8
422.09680	1.0
423.08264	0.7
429.08450	0.4
441.09158	100.0
442.09625	3.4
453.09146	3.2
471.10168	0.9
483.10754	0.4
501.11267	1.4
513.10889	0.6
525.11194	0.4
527.15826	3.2
531.03131	0.8
543.12195	2.2
723.23401	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	723.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	5.0
62.78562	0.3
69.87725	1.5
84.96026	2.3
85.02892	0.4
94.92984	0.5
98.21511	0.4
98.97578	19.0
102.97028	0.7
108.95762	0.3
110.97554	4.6
112.44919	0.3
112.89625	1.6
114.89280	0.4
116.98618	14.4
120.24869	0.3
120.98129	0.3
123.99535	0.4
124.99118	0.3
127.03792	0.4
128.98601	9.6
129.60857	0.3
131.00133	0.6
134.99663	8.6
140.00166	0.3
140.98575	1.5
143.00168	4.8
146.99654	9.3
149.01167	0.7
152.67171	0.3
152.98596	0.9
153.00668	0.8
158.99646	10.1
161.01224	9.4
161.02684	0.5
162.99155	0.6
165.00711	1.5
168.00247	0.3
170.98215	0.6
170.99648	9.5
173.01196	1.3
173.02753	0.4
174.99106	0.6
175.02693	0.4
177.00719	14.6
179.02231	1.4
182.99634	5.5
185.01207	0.6
189.00705	17.9
190.00858	0.3
191.02284	0.9
193.00182	0.5
194.99623	0.4
195.01715	1.9
200.02248	0.4
201.00706	32.6
202.00978	0.4
203.02196	0.9
207.00021	0.3
207.01799	2.4
208.60748	0.4
213.00618	2.1
219.01767	33.7
220.02109	0.5
224.02440	0.5
225.00665	0.4
230.99529	0.4
231.01755	4.8
232.92302	0.7
235.04681	0.4
237.02820	23.9
238.03415	0.4
240.02367	0.6
242.03333	0.8
243.01772	10.6
245.04991	0.8
248.89583	0.4
249.02823	0.5
250.91890	0.3
255.03871	15.3
260.04419	0.4
261.02820	62.4
262.03207	1.1
273.02740	3.7
279.03873	42.6
280.04175	0.7
283.03336	0.4
284.04388	0.6
291.03851	14.2
297.04965	2.0
302.05438	2.4
303.03848	1.1
303.33102	0.4
306.85394	1.2
309.04868	2.4
315.03622	0.7
321.04929	23.3
322.05234	0.6
333.04935	3.5
345.04440	0.3
351.06006	7.4
363.06049	1.9
365.10580	2.9
381.07083	24.0
382.07568	1.1
399.08102	28.8
399.37402	0.3
400.08368	0.8
422.09680	1.0
423.08264	0.7
429.08450	0.4
441.09158	100.0
442.09625	3.4
453.09146	3.2
471.10168	0.9
483.10754	0.4
501.11267	1.4
513.10889	0.6
525.11194	0.4
527.15826	3.2
531.03131	0.8
543.12195	2.2
723.23401	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	723.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.05499	0.6
57.03426	0.9
57.07067	2.0
61.02928	2.2
62.32707	0.3
64.30907	0.3
67.05510	0.9
69.03430	1.6
69.07088	0.7
70.60876	0.3
71.08621	1.6
71.35712	0.3
73.02921	1.7
77.04509	0.3
79.05495	0.7
81.03406	0.7
81.07053	1.2
83.08626	0.7
85.02891	2.3
85.10178	1.0
85.90942	0.3
88.79710	0.3
91.03939	1.1
91.05485	0.3
93.07018	1.6
95.08591	2.5
97.02895	2.5
97.10149	0.3
98.20750	0.6
99.04465	0.7
101.02380	1.3
103.03940	0.3
107.04948	0.3
107.08604	0.6
109.02894	0.3
109.10161	0.8
119.08585	0.5
121.10139	0.4
123.11656	0.4
125.71772	0.3
127.03899	0.7
135.11681	1.8
145.10132	1.0
148.69659	0.3
163.11185	2.7
181.12219	0.7
185.04242	0.5
219.10054	0.4
227.12779	1.8
243.08475	1.7
249.10953	5.3
305.13538	1.4
313.27606	0.5
378.25980	0.4
467.18927	7.7
497.30820	4.2
561.37262	0.6
723.42798	100.0
724.43365	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	723.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
56.73456	0.8
57.03425	1.6
57.07080	2.2
61.02913	4.5
66.18290	1.0
67.05507	2.2
69.03432	3.5
69.07074	1.6
69.27197	4.0
69.27625	4.8
71.08635	2.0
72.30013	1.0
73.02923	3.5
79.05495	1.2
81.03424	3.2
81.07053	2.5
83.08620	1.8
85.02903	5.9
91.03960	2.5
95.08603	1.9
97.02900	3.2
97.06630	1.1
99.04446	1.2
101.02398	2.0
119.08627	1.1
127.03992	1.4
163.11203	1.7
178.23494	0.9
222.48392	0.9
243.08653	1.5
267.70905	1.1
313.27155	1.3
467.18710	7.6
497.31137	3.7
723.42822	100.0
724.43298	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	724.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61145	0.8
51.49228	0.8
55.01868	3.9
55.05513	16.0
55.24493	0.7
57.03442	14.5
59.04996	1.6
61.02920	1.6
67.05503	22.4
69.03424	3.5
69.07075	5.4
70.18082	2.9
70.18475	2.0
71.04988	2.4
78.04665	0.8
79.05495	21.6
81.03421	80.8
81.07059	22.9
83.04983	10.9
83.08165	1.7
83.08626	21.7
85.02910	12.2
85.06528	1.5
91.05486	23.3
93.07049	14.9
95.04967	30.8
95.08607	7.6
97.02889	3.2
97.06531	3.7
97.10167	6.8
98.21537	1.0
105.04579	0.9
105.07039	19.2
107.04967	10.5
107.08600	8.9
109.02880	0.9
109.06536	4.0
109.10168	6.1
111.04438	1.6
111.08076	8.9
115.05473	2.8
117.07040	3.4
119.08577	17.8
121.06516	5.0
121.10149	8.8
123.04460	1.8
123.08047	3.1
123.11698	0.9
125.09626	5.1
129.07013	12.8
131.08589	12.0
133.06514	4.4
133.10121	7.0
135.08073	1.6
135.11691	1.6
137.09613	2.3
142.07806	2.8
143.08615	1.2
145.06497	2.8
145.10123	3.1
147.04456	1.1
147.08047	5.4
147.11702	9.0
149.09650	7.7
157.10130	12.7
159.08055	1.4
161.09593	1.2
163.11197	3.9
165.12735	2.4
167.08470	0.9
169.06442	0.9
169.10216	1.1
171.08075	1.5
171.11792	0.9
173.11771	1.6
175.11186	11.0
185.09665	1.0
185.13205	1.4
189.11246	1.6
189.12808	1.3
193.12251	35.0
195.11684	1.5
196.08685	0.9
197.13292	0.8
205.12265	1.1
209.11813	1.6
211.13264	18.8
223.13264	1.1
227.12677	1.9
229.14372	5.5
233.15337	1.1
234.80186	0.9
249.14882	2.0
255.13774	2.4
259.13196	1.4
267.15924	100.0
273.14822	3.7
283.15381	6.4
285.16959	18.3
287.64090	0.9
301.16757	1.3
339.23282	0.9
341.20938	1.5
349.21619	2.1
367.22614	9.9
385.23724	13.1
403.24689	3.3
405.24536	1.3
415.24976	1.3
425.25668	1.5
433.25940	14.8
437.25021	2.0
441.26425	6.6
459.27432	75.3
460.27637	2.7
477.28494	45.0
501.28384	0.9
519.29761	1.9
585.30457	1.0
621.31018	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	725.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30367	0.5
55.05522	0.7
57.03416	1.5
57.07074	2.0
60.56279	0.5
61.02927	4.1
63.16890	0.4
65.29004	0.4
67.05506	1.4
69.03414	2.7
69.07074	1.3
71.08634	1.9
73.02919	3.1
73.81932	0.5
74.84554	0.4
76.80948	0.5
79.05511	1.6
81.03426	2.8
81.07064	2.1
83.04961	0.7
83.08629	1.4
85.02907	5.4
85.10162	0.8
87.04508	0.6
89.20412	0.4
91.03965	2.0
91.05482	1.8
93.07049	1.1
95.04979	0.9
95.08626	2.0
97.02898	3.5
97.10190	0.4
97.94263	0.5
98.20712	0.8
101.02378	1.3
105.07045	1.4
109.10179	1.3
119.08594	0.7
127.03964	1.3
129.06992	0.5
133.10141	0.6
143.83598	0.5
147.11731	0.7
148.64012	0.6
157.10138	1.1
175.11232	1.0
193.12302	1.2
203.05330	0.5
211.13435	0.5
229.10855	0.5
243.08485	1.5
251.12592	0.6
279.10046	0.5
313.27484	0.8
343.48361	0.5
469.20444	7.2
470.20984	0.7
497.30917	3.4
725.44452	100.0
726.44806	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	727.2065
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
52.22654	0.2
53.03942	0.6
55.01851	0.4
57.03439	2.5
59.04986	0.4
61.02927	1.2
67.05515	0.3
68.99799	0.3
69.03430	3.5
70.06590	0.5
70.96958	0.2
71.01357	0.6
71.04997	10.3
71.48704	0.2
71.49083	0.3
73.02915	2.9
75.04468	0.8
79.05507	1.2
79.05862	0.2
81.03402	1.0
81.07039	0.3
83.04991	2.4
84.04514	0.2
85.02909	16.3
86.09715	0.4
87.04464	0.5
91.03956	0.8
91.05470	0.9
93.07029	0.6
94.06579	0.3
95.04974	2.7
97.02311	0.4
97.02896	5.1
99.04456	0.4
103.03905	0.3
103.05460	0.9
105.03389	0.3
107.04961	5.1
109.02881	4.0
109.06504	0.6
110.09688	0.4
111.00810	0.5
111.04454	2.0
115.03946	2.0
120.08113	0.5
121.02871	1.9
121.06546	1.2
123.04432	0.5
125.02348	1.4
127.03928	1.5
129.05482	4.6
131.04933	0.4
133.02879	0.5
135.04431	1.3
136.07530	0.3
137.02336	0.5
137.05997	0.4
138.09128	0.6
139.03888	1.8
145.04970	1.0
146.06000	0.8
147.04385	0.6
147.06528	1.9
148.07597	0.3
149.05943	1.6
151.03906	3.8
153.01830	2.8
153.05505	0.3
157.04945	0.3
159.04417	0.3
163.05983	0.6
165.01831	1.5
165.04396	0.3
165.05516	2.9
166.08643	1.5
167.07057	0.7
172.03931	1.0
175.03932	0.3
177.05461	4.0
179.07097	0.3
183.02933	0.7
185.05997	0.3
190.04974	0.5
191.07039	0.7
195.06499	1.5
199.05928	0.3
204.06535	1.9
209.08084	2.1
213.05516	0.6
213.07545	0.3
225.07620	1.5
227.09264	0.3
231.06380	0.6
241.04999	0.7
243.08670	0.5
258.05234	0.9
259.06067	0.4
279.10782	0.3
287.05505	100.0
288.05856	1.2
299.05554	0.8
321.09662	0.5
325.11740	0.5
329.06567	1.5
339.10507	0.8
353.06586	0.9
357.14355	0.9
368.09338	0.2
383.07532	0.4
395.07849	0.2
400.12442	0.6
413.08844	0.4
431.09439	0.4
449.10745	2.5
515.15936	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	727.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01873	0.8
55.05515	1.3
56.96564	0.5
57.03434	2.1
59.05006	0.6
61.02929	4.1
67.05509	2.6
69.03429	2.8
69.07071	1.1
69.18435	2.9
70.06590	0.4
71.01357	0.6
71.04995	1.3
72.24021	0.3
73.02933	3.1
75.75641	0.3
78.78429	0.3
79.05492	3.4
80.95882	0.3
81.03419	3.9
81.07056	3.2
83.01361	0.4
83.04987	1.0
83.08620	1.3
85.02908	5.0
87.04464	0.8
91.03958	2.6
91.05486	2.8
93.07053	3.5
95.04951	1.6
95.08611	1.4
97.02892	4.6
97.06526	2.0
97.10149	0.4
98.06822	0.3
98.21503	0.6
98.75165	0.3
99.04465	1.0
101.02396	1.5
103.03895	0.3
105.07031	2.1
107.04955	1.3
107.08586	1.7
109.02850	0.7
109.06553	0.8
109.10171	0.9
115.03983	0.4
117.07065	0.7
119.08607	1.9
121.06552	0.6
121.10137	1.7
123.08074	0.9
125.09632	0.3
127.03944	1.0
129.07001	0.8
131.08591	1.5
133.10117	1.4
135.11697	1.4
137.09604	0.3
145.04961	0.4
145.10124	1.7
147.08054	0.7
147.11722	1.1
149.09619	1.5
157.10133	1.0
163.03938	0.4
163.11165	1.7
175.11235	0.7
193.12296	1.1
196.81799	0.3
206.50505	0.3
208.08882	0.3
209.11861	0.3
215.06984	0.4
225.14673	0.4
229.07507	0.3
229.14487	0.4
243.08418	2.0
247.08536	0.3
249.11049	0.5
267.15961	0.7
268.16635	0.3
283.15234	3.7
339.17719	0.7
365.16232	0.3
467.18918	8.6
501.23102	8.2
565.29010	0.5
619.45300	0.3
655.27258	0.5
727.35095	100.0
728.35590	3.6
732.07129	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	727.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01876	0.8
55.05510	1.3
56.96562	0.6
57.03444	1.9
57.48594	0.3
59.05003	0.8
59.32611	0.3
61.02929	4.2
63.91635	0.2
65.37714	0.2
67.05502	3.1
69.03427	3.1
69.07063	1.0
70.06192	0.2
70.06598	0.8
71.01385	0.3
71.01834	0.6
71.05003	1.6
73.02919	3.1
79.05499	3.4
81.03419	4.3
81.07057	2.7
83.01337	0.4
83.04984	1.5
83.08617	1.2
84.08133	0.3
85.02910	5.1
85.06518	0.3
87.04474	1.0
91.03957	3.0
91.05482	3.1
93.07034	3.0
95.04980	1.4
95.08611	1.3
97.02901	3.5
97.06523	1.8
99.04461	0.9
101.02396	1.3
103.03974	0.5
105.07028	2.1
107.04963	1.0
107.08578	1.8
109.02901	0.6
109.06527	1.0
109.10176	0.8
111.04446	0.5
111.08115	0.6
117.07047	0.6
119.08592	1.4
121.06544	0.2
121.10171	1.8
123.08100	0.7
125.06040	0.3
127.03918	1.4
129.07053	0.7
131.08554	1.5
133.10139	1.5
135.11699	0.8
142.07780	0.3
145.02858	0.4
145.04958	0.3
145.10147	1.0
147.08080	0.7
147.11725	0.9
149.09634	1.5
157.10185	1.1
163.03932	0.8
163.11192	1.3
165.05501	0.3
165.12843	0.3
175.11214	0.6
181.04562	0.3
185.04317	0.3
193.12303	1.1
197.15430	0.3
203.05441	0.5
209.07730	0.3
209.09634	0.4
209.11774	0.5
225.14969	0.7
229.07559	0.5
229.14497	0.3
243.08429	2.2
249.10951	0.5
249.14734	0.3
267.09146	0.4
267.15994	0.8
269.10406	0.3
283.15192	3.4
292.12381	0.3
305.13773	0.4
339.17969	0.5
365.16504	0.5
378.94061	0.3
383.17538	0.4
448.28098	0.4
467.18896	7.4
469.20593	0.4
501.23077	8.1
565.29926	0.5
617.84943	0.3
727.35120	100.0
728.35718	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	729.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.83866	0.2
55.01876	0.4
55.05501	1.0
57.03431	1.3
59.04983	0.6
61.02925	3.9
67.05508	3.0
69.03436	2.6
69.07061	1.1
69.26288	1.8
69.26692	0.7
70.06583	0.6
71.01332	0.4
71.04981	0.8
73.02917	2.4
79.05499	2.8
83.04986	1.2
83.08636	1.4
84.04515	0.4
84.08157	0.7
85.02909	5.3
85.06523	0.4
86.09721	0.7
87.04472	0.4
87.24116	0.3
91.03953	1.8
91.05475	3.6
93.07040	1.8
95.04969	2.0
95.08614	1.2
96.84950	0.3
97.02892	3.8
97.06529	1.0
99.04461	0.8
101.02377	1.5
103.04005	0.3
105.07032	2.0
107.04976	0.6
107.08600	1.2
109.02890	1.1
109.10161	0.9
111.08057	0.6
111.73043	0.3
115.03941	0.5
119.08582	2.0
121.10140	2.0
123.08105	0.4
123.11761	0.4
126.86295	0.3
127.03912	1.4
129.07036	1.0
129.10214	0.3
131.08553	1.7
133.06473	0.6
133.10133	1.7
137.06058	0.3
137.76009	0.3
143.74762	0.3
145.04977	0.5
147.07964	0.3
147.11678	1.4
149.09639	1.3
157.10149	1.1
163.11063	0.4
175.11179	1.2
193.12222	2.2
211.13347	0.3
218.70224	0.3
225.14859	0.6
234.01660	0.3
236.19225	0.3
243.08488	2.7
251.12631	0.9
267.16025	0.9
283.15198	3.1
285.16840	0.4
307.15317	0.6
339.17838	0.5
413.18414	0.5
418.92487	0.3
461.88077	0.3
469.20468	9.0
501.23102	9.5
501.30481	0.5
567.31403	0.6
639.29443	2.4
657.30811	0.5
669.38623	0.6
729.36652	100.0
730.36963	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	731.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.1
53.03939	3.3
55.01874	1.8
57.03430	1.0
67.05508	1.6
69.03432	5.1
69.67594	5.3
71.01358	1.0
71.04980	1.2
73.02921	1.0
79.05487	7.2
81.03430	4.3
81.07056	2.3
85.02892	4.8
86.64563	0.7
91.05463	2.8
93.07043	4.6
95.01296	0.9
95.04966	60.6
97.02895	8.8
97.06506	1.0
100.78577	0.8
103.05450	6.0
105.07001	1.1
107.04955	52.7
109.02876	34.9
109.06506	2.9
121.06509	12.0
123.03600	1.3
123.04433	13.3
125.02349	40.0
125.05987	4.0
127.03889	4.3
131.04916	4.7
133.02844	2.4
135.04393	5.8
145.04956	1.3
149.05969	19.8
151.03903	100.0
153.05472	9.8
157.07539	0.9
159.04362	3.1
165.05482	2.2
167.07021	1.4
169.04999	1.1
175.03867	0.8
177.05473	35.4
189.07555	1.2
189.46655	0.7
193.04976	0.8
193.36617	0.7
195.06526	88.0
200.00742	0.9
200.10622	0.8
201.01448	0.9
213.07570	13.3
215.03186	4.6
215.69975	0.9
266.18335	0.8
269.06522	1.1
275.03406	0.8
280.03680	0.8
295.08066	1.3
319.60855	0.8
321.09644	2.7
339.10736	10.5
357.11786	12.1
363.75912	1.0
377.08429	18.1
384.13080	0.9
489.13959	1.8
517.47467	0.9
713.14282	1.0
731.28760	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	738.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	3.5
53.00525	0.7
53.03949	4.0
55.01873	6.1
55.05515	18.3
55.38926	0.9
57.03174	1.3
57.03437	19.4
57.07084	1.0
59.04987	3.0
61.02916	1.9
61.25362	0.7
62.04325	0.8
62.30522	0.7
62.83451	0.9
65.03922	2.0
65.39986	0.8
67.05506	24.4
69.03429	5.5
69.07074	5.9
69.49557	1.8
69.49960	4.5
70.06575	3.3
71.01346	1.9
71.05000	4.1
72.08170	1.0
73.02908	2.6
79.05020	1.2
79.05489	21.8
80.05795	1.0
81.03420	80.5
81.06607	1.6
81.07058	27.0
83.01338	1.4
83.04990	10.7
83.08618	26.7
85.02903	5.6
85.06538	2.2
86.09702	3.0
87.04474	1.0
91.05486	35.2
91.96033	0.8
93.07044	22.8
95.04971	27.9
95.08605	8.9
97.02904	8.9
97.06535	11.1
97.10182	7.0
98.20838	0.9
99.00809	17.0
99.01408	1.6
99.04445	1.7
99.08109	1.8
101.02425	0.9
103.05487	2.0
105.07033	25.6
107.04955	17.1
107.08589	13.3
109.02882	14.5
109.06519	6.2
109.10157	8.6
111.04455	5.0
111.08081	9.8
113.05958	1.0
115.03921	2.6
115.05407	2.3
117.07030	6.0
119.04922	1.6
119.08587	21.0
120.08114	0.9
121.06510	10.5
121.10165	7.7
123.04401	3.5
123.08079	4.1
123.11696	2.4
125.05997	0.8
125.09622	6.1
127.03893	4.5
128.06226	2.8
129.07018	9.6
131.08560	10.2
133.06526	4.3
133.10127	33.8
135.04543	0.8
135.08049	3.0
135.11676	4.8
136.00056	0.8
137.05948	2.9
137.09610	3.5
139.03914	1.3
139.07530	4.2
140.08176	0.9
142.04042	0.8
142.07771	3.2
143.08577	7.6
145.06505	1.9
145.10101	4.7
147.04385	3.2
147.08025	5.4
147.11700	7.8
149.09651	5.4
151.11186	9.7
153.06937	1.5
153.09035	0.8
153.12755	0.8
157.10115	9.8
159.08092	1.2
161.05968	2.0
161.08344	1.3
161.09627	20.7
163.07597	1.1
163.11218	5.6
165.05493	1.4
165.09148	1.8
165.12752	2.0
167.06996	1.2
168.37831	0.9
171.04483	1.0
171.08049	3.8
171.10258	1.1
171.11646	1.2
173.05969	1.0
173.09663	1.0
175.11179	7.3
179.10693	9.2
187.07605	0.9
189.05496	5.5
189.09093	10.7
189.11177	2.9
190.05801	2.5
191.14264	1.5
193.12251	20.1
197.11749	2.4
199.07593	0.9
207.10193	4.6
209.11714	2.0
211.13268	5.4
219.13817	7.9
223.13286	1.0
225.11169	10.7
227.12704	5.4
241.14348	1.1
243.12088	1.4
245.11398	1.0
249.14897	1.9
267.15918	89.6
268.16422	1.5
281.13791	6.4
283.15454	6.2
285.16953	2.5
299.14899	74.4
301.16818	1.6
323.10410	0.8
363.19339	1.0
371.21921	1.0
381.20474	2.6
389.23224	1.7
399.21585	2.2
417.22458	2.1
445.25873	11.7
455.24069	1.0
459.27258	2.1
463.26828	8.4
473.25372	27.6
477.28696	2.0
481.28015	0.8
491.26410	100.0
492.26855	2.7
509.27402	7.7
526.34998	1.1
533.27161	2.2
541.29205	1.1
626.68243	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	739.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16121	1.0
83.06559	1.1
95.08607	2.5
98.21523	3.4
101.90314	1.1
104.60234	1.2
107.08591	1.4
119.08553	1.3
125.65992	1.1
133.10136	1.5
138.08600	1.0
173.72638	1.1
177.98384	1.2
182.71786	1.2
190.45226	1.2
267.94781	1.4
301.90317	1.3
739.39874	100.0
740.40839	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	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.8
55.01863	3.9
55.05513	9.9
57.03439	8.4
57.07067	2.3
65.03913	1.7
67.05502	34.5
69.03426	1.8
69.07066	11.1
71.04984	4.2
71.49725	1.4
71.50435	1.6
73.02882	1.9
79.05491	29.8
80.62571	1.4
81.03401	2.4
81.06606	2.3
81.07054	35.4
83.04974	5.4
83.08614	6.3
85.02924	1.8
91.05482	10.7
93.07044	37.0
95.04957	5.9
95.08605	43.6
95.44218	1.3
97.02872	2.2
97.06525	4.1
97.10148	1.8
99.04439	2.6
100.04764	1.7
105.07029	9.7
107.04933	6.8
107.08586	25.8
109.06565	1.4
109.10154	10.9
111.08083	2.0
117.07033	7.5
119.08574	12.4
121.06511	2.8
121.10142	14.0
123.11762	2.1
125.05994	3.1
131.08542	3.1
133.10130	3.0
135.10710	2.6
135.11693	31.0
139.07573	1.8
145.10129	19.8
145.11205	2.5
149.13185	2.5
152.06757	1.6
153.55299	1.5
163.11183	36.3
163.14896	2.1
181.12234	5.7
184.07289	1.6
187.14864	1.8
209.11383	2.1
227.12764	50.9
227.14984	3.3
228.13040	1.6
252.89355	1.5
261.22116	9.4
283.15408	51.0
284.15771	1.8
321.75470	1.6
335.25803	100.0
336.26163	3.0
353.15625	2.1
359.01624	1.5
385.80399	1.4
392.78036	1.6
510.59940	1.5
543.36816	69.3
544.36603	4.6
733.68884	1.5
740.42938	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	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86429	1.7
52.98416	1.8
53.03950	4.9
54.81920	1.7
55.01866	6.9
55.05512	24.6
57.03438	16.4
57.07065	5.8
59.04997	2.4
61.02922	8.1
67.05505	54.1
69.03434	4.2
69.07063	13.6
69.32650	18.7
71.04975	3.6
71.08644	2.8
73.02907	3.2
79.05495	42.8
81.03421	14.8
81.07060	54.4
82.07388	3.6
83.01350	8.0
83.04977	11.5
83.08622	13.0
85.02917	8.7
91.05484	29.4
93.07048	47.9
94.07372	2.0
95.04969	8.4
95.08606	36.3
96.14207	1.9
97.02855	3.4
97.06540	4.4
97.10191	4.3
98.21545	3.9
99.04472	2.5
105.07034	18.6
107.04968	10.0
107.08598	30.0
109.06503	6.6
109.10153	17.8
111.04437	2.2
111.08062	3.3
117.07001	11.2
119.08591	16.3
121.06516	2.3
121.10141	19.2
123.08068	8.6
123.11748	5.1
129.07034	3.0
131.08578	10.5
133.10112	12.3
135.08087	3.2
135.11696	18.7
137.13210	2.1
143.08554	2.8
145.06502	2.0
145.10141	19.5
147.11705	7.4
149.09544	2.3
149.13245	6.4
153.12743	4.3
155.08466	2.8
159.11700	7.4
161.13248	3.8
163.11198	21.9
163.14781	4.5
173.09637	3.1
173.13246	5.4
181.12244	5.4
187.14748	2.8
191.10646	4.0
193.12259	2.7
209.11786	7.7
227.12802	12.1
241.19702	2.2
243.21082	6.1
259.20694	3.3
261.22134	21.7
267.15915	2.9
268.16229	2.5
275.41040	2.2
283.15393	99.4
284.15756	4.3
294.55859	2.0
299.23767	2.9
305.09790	1.8
317.24680	4.8
333.24384	1.9
335.25803	100.0
336.26163	4.9
469.33459	2.1
507.39377	3.2
525.35547	3.2
543.36792	74.9
544.37030	4.2
561.37915	4.5
740.42664	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	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78198	2.0
53.03945	3.1
55.01861	7.6
55.05508	23.1
57.03430	19.8
57.07063	3.3
57.38023	2.1
59.05003	2.9
61.02913	7.1
65.03920	3.8
67.05507	56.1
69.07079	16.1
69.32132	6.3
69.32551	15.0
71.04991	5.4
71.08626	4.4
79.05090	3.6
79.05499	39.8
81.03416	13.4
81.07056	62.7
83.01332	9.6
83.04979	9.5
83.08619	16.2
85.02905	8.6
85.06536	2.3
91.03954	2.8
91.05484	24.6
92.67774	2.1
93.07048	60.5
95.04946	10.1
95.08617	41.0
97.02876	6.1
97.06536	5.2
97.10171	3.3
99.04442	2.5
99.08067	2.1
105.07036	19.5
107.04958	5.5
107.08591	35.2
109.06527	8.9
109.10155	14.1
111.04419	2.5
116.98560	2.6
117.07037	11.7
119.08574	18.0
121.06470	3.6
121.10148	21.5
123.08068	8.7
123.11709	4.3
125.09650	4.1
131.08528	12.3
133.10132	9.8
135.11696	19.6
145.10135	19.0
147.11687	7.9
149.13281	5.4
153.12727	2.7
159.11736	4.2
161.13205	3.5
163.11195	19.8
163.14795	2.9
173.09584	2.2
173.13223	3.8
187.14853	2.3
191.10635	4.1
193.12076	3.2
209.11739	7.2
214.31433	2.2
227.12849	13.7
243.21115	5.7
261.22226	15.1
267.16064	4.2
277.21832	2.3
283.15396	97.9
293.12457	2.2
299.23584	4.5
314.27753	3.1
317.24744	4.8
333.24628	2.7
335.25806	100.0
392.38861	2.4
404.92545	2.2
451.32138	6.2
507.39545	3.2
525.35468	4.3
543.36859	71.3
544.37256	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	742.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.0
55.05515	16.6
56.96554	1.4
57.03437	12.2
57.07052	1.1
61.02913	2.4
65.03946	2.1
67.05508	29.0
69.03436	6.1
69.07069	8.7
70.06592	5.2
70.78602	2.4
70.78943	1.0
71.01363	1.1
71.05013	5.8
72.08154	1.7
73.02917	1.8
79.05497	27.5
81.03421	59.3
81.07061	22.6
83.04992	8.4
83.08624	20.2
84.08138	1.7
85.02904	8.0
85.06537	2.0
86.09703	3.1
86.19780	1.0
90.99131	0.9
91.03956	1.6
91.05484	23.3
93.07048	24.2
95.04390	1.9
95.04972	28.0
95.08617	13.7
97.02898	5.4
97.06532	10.5
97.10174	14.9
103.05468	1.5
105.07039	16.7
107.04964	27.5
107.08595	17.7
109.02872	4.1
109.06521	18.2
109.10168	10.3
111.04456	2.4
111.08092	5.9
115.05465	2.1
117.07011	6.9
119.04995	1.4
119.08597	14.6
121.06510	15.3
121.10143	14.0
123.04443	3.5
123.08051	4.1
123.11681	1.5
125.06005	1.4
125.09642	14.5
127.03951	1.5
129.07018	8.9
129.10252	1.0
131.04904	3.0
131.08565	14.4
133.06509	3.8
133.10159	7.3
135.04437	2.5
135.08037	9.5
135.11653	5.0
137.06006	2.7
137.09624	1.6
139.03903	3.9
139.07567	1.1
139.11171	3.7
142.07759	1.5
143.07373	1.0
143.08546	3.9
145.06468	5.3
145.10132	7.4
147.04431	2.1
147.08081	4.9
147.11703	7.6
149.06013	2.6
149.09599	7.6
151.03883	2.2
151.11156	1.5
153.09076	3.0
153.12683	1.5
155.08549	2.8
157.06471	1.8
157.10107	8.1
159.04385	1.2
159.08041	3.4
159.11684	2.2
161.05998	1.9
161.09612	2.0
163.03897	3.3
163.11172	8.0
165.05486	7.7
165.12756	1.8
167.07040	2.9
167.08525	1.2
167.10652	2.5
169.10052	2.1
171.08083	2.7
171.11575	1.4
173.09608	2.5
173.11755	1.5
173.13278	2.6
175.11189	6.6
177.00882	1.4
177.05490	3.8
179.55850	1.1
183.11723	1.7
185.09691	1.2
185.11627	1.1
185.13306	1.8
185.71364	1.1
187.11169	2.1
189.09023	1.5
189.11188	5.6
189.12697	1.7
191.10774	1.3
191.14328	4.5
193.12256	18.6
195.06407	1.3
197.13295	1.4
199.07362	0.9
199.11142	1.1
201.12738	2.3
205.12210	1.9
209.08038	2.2
209.11610	2.1
211.11281	1.4
211.13278	2.6
215.07216	1.1
215.14130	1.6
217.12184	1.7
219.13811	15.5
223.13260	1.5
227.12721	3.9
229.14355	4.6
231.13643	1.8
233.15370	3.0
235.13237	1.2
237.12761	2.3
241.14317	1.2
255.13731	1.5
259.09683	5.2
259.15457	8.2
267.15927	43.3
273.14774	7.1
283.15274	5.3
285.16919	2.4
293.17520	7.4
301.16425	3.5
309.17050	1.1
311.62314	1.0
339.23053	2.2
349.21576	4.1
357.24207	2.5
367.22757	15.4
385.23724	24.7
403.24878	10.1
437.25537	1.7
441.26474	6.2
451.26706	4.6
459.27420	100.0
460.27902	1.8
477.28491	98.6
478.28949	1.1
491.30487	9.0
495.29477	9.2
501.28500	2.2
509.26755	2.4
509.31778	1.7
548.24493	1.2
562.25177	2.1
567.30017	1.8
580.26361	1.3
621.32959	1.5
640.26758	1.0
742.39636	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
54.31547	2.2
55.01869	4.2
55.05509	21.5
57.03429	14.7
57.07074	2.3
59.13897	2.0
61.02932	3.7
65.03931	3.5
65.42540	1.8
67.05502	64.5
69.03421	6.8
69.07053	15.7
71.04986	4.8
71.11258	3.9
73.02922	1.9
79.05493	44.2
80.23952	1.8
81.03422	61.5
81.06609	4.1
81.07052	57.4
83.04984	14.0
83.08627	25.6
85.02908	30.0
85.06539	4.3
91.05481	36.0
93.07041	41.6
93.94884	1.9
95.04974	27.0
95.08601	38.4
97.02894	5.5
97.06539	7.1
97.10178	6.2
104.93334	1.9
105.07037	34.2
105.71542	1.9
107.04942	6.1
107.08601	20.6
109.06521	7.6
109.10168	18.5
110.05505	2.4
111.04424	3.2
111.08044	10.8
117.07018	5.2
119.08588	22.5
121.06458	2.2
121.10148	21.0
123.08108	2.1
123.11698	4.6
129.07016	9.9
131.08562	17.3
133.06529	3.7
133.10120	17.0
133.62697	2.1
135.11731	11.4
145.10121	8.3
147.11693	14.6
149.09621	5.0
149.13240	5.7
151.11195	2.6
157.10153	13.6
159.11682	5.5
161.13211	3.4
171.11517	2.1
173.13222	3.8
175.11206	14.1
193.12228	44.7
211.13275	75.6
227.20119	4.9
243.21231	2.7
261.22244	11.0
267.15924	17.6
275.51495	2.2
285.16953	83.6
317.24832	5.0
335.25793	84.0
453.33545	2.9
527.37219	12.6
545.38354	100.0
554.34119	2.5
770.01154	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	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01870	3.3
55.05511	16.3
57.03436	12.8
57.07069	2.9
61.02919	1.9
65.03947	2.8
67.05506	49.0
69.03430	4.6
69.07072	11.2
69.37765	3.5
69.38178	10.1
71.04980	3.7
79.05495	36.4
81.03418	41.0
81.07056	48.0
83.04975	11.1
83.08610	15.0
85.02915	18.3
85.06542	2.0
91.05483	32.7
93.07044	38.9
93.07640	1.9
95.04968	17.0
95.08607	30.4
95.13522	1.5
97.02884	3.0
97.06570	3.4
97.10137	5.2
105.07028	23.5
107.04957	3.3
107.08600	14.5
109.06529	2.4
109.10174	11.6
111.08031	7.5
113.06018	2.4
117.07005	4.0
119.08583	17.6
121.10145	14.4
123.08117	2.4
123.11731	4.3
125.09587	2.3
127.03915	1.8
129.07005	7.0
131.08566	13.8
133.06529	2.3
133.10143	12.1
135.11674	8.0
145.10135	5.4
147.11700	9.8
149.09583	2.6
149.13223	3.5
157.10129	7.3
159.11717	3.2
163.14894	1.9
165.12791	2.4
173.13211	2.2
175.11166	10.5
187.14786	1.9
193.12233	32.8
195.91591	1.5
211.13287	48.0
211.15292	2.6
227.20033	5.5
243.20938	1.7
261.22134	8.2
267.15955	11.9
285.16956	47.5
309.00226	2.0
317.24539	2.2
335.25784	90.8
398.05627	1.8
414.79065	1.7
527.37463	11.6
545.38373	100.0
546.38849	4.7
771.15436	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	743.2024
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
52.89287	0.2
53.03947	0.5
55.01860	0.3
55.05515	0.4
57.03439	2.7
61.02926	1.2
65.03932	0.2
69.03431	2.9
70.06581	0.4
71.01354	0.3
71.04990	9.9
71.49153	0.4
72.05298	0.2
73.02913	2.8
75.04470	0.5
81.03404	0.9
83.04983	2.6
84.08147	0.2
84.45190	0.2
85.02902	14.3
87.04456	0.6
91.03952	0.9
91.05489	0.3
95.04963	0.5
97.02893	4.1
99.04440	0.3
103.03934	0.5
107.04960	0.5
107.08569	0.2
109.02881	0.8
111.00791	0.6
111.04420	1.2
113.05962	0.2
115.03930	2.0
121.02835	0.7
127.03897	1.1
129.05464	3.7
133.04961	0.4
135.04414	0.3
137.02370	2.1
137.09605	0.3
145.04948	1.3
147.04430	0.2
147.06511	2.2
151.03925	0.5
153.01813	2.6
157.05009	0.3
161.05920	0.3
163.03923	0.5
163.06017	0.8
165.01833	1.6
165.05502	0.3
166.02574	0.2
171.93700	0.2
173.05981	0.4
177.05452	0.4
183.02924	0.9
184.62914	0.2
195.02733	0.2
195.06567	0.6
198.08948	0.2
201.05415	1.1
211.94011	0.2
213.05482	0.2
225.07585	1.6
229.04956	3.0
237.02776	0.2
239.03564	0.3
241.33614	0.2
243.08565	0.4
247.06046	0.6
257.04419	2.0
261.09882	0.2
274.04672	0.7
275.05542	0.2
279.10883	0.3
285.03973	1.2
287.05478	4.2
299.05640	0.3
303.04974	100.0
304.05386	1.7
315.05008	0.6
345.05951	1.0
369.06030	0.6
447.09030	0.5
449.11243	0.3
465.10440	2.1
540.20795	0.2
597.14978	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	743.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.01863	0.3
56.96562	0.3
57.03437	1.8
61.02940	2.0
67.21811	0.2
68.99810	0.2
69.03430	2.3
70.06580	0.7
71.01346	0.5
71.04990	0.4
71.49409	0.4
73.02916	4.2
79.05467	0.2
81.03397	0.8
83.04997	0.3
84.08139	0.3
85.02905	4.5
86.09718	0.2
91.03960	1.4
94.06535	0.2
95.04997	0.5
97.02894	3.6
98.97590	0.5
105.03415	0.3
107.04955	0.6
109.02880	0.5
111.00799	0.6
111.04463	0.3
112.08714	0.2
115.03912	1.8
116.98640	0.4
121.02849	2.1
123.04417	0.2
127.03925	1.5
130.38303	0.2
133.02866	0.4
133.04901	0.2
134.99664	0.2
135.04333	0.2
137.02361	0.4
137.05977	0.3
139.03889	0.3
145.04958	1.0
145.06577	0.2
147.04379	0.8
151.03922	0.3
153.01807	2.3
158.99669	0.3
161.06055	0.2
163.03909	0.2
163.06088	0.5
165.01820	1.3
165.05522	0.3
177.00716	0.4
179.07104	0.2
183.02916	0.6
189.00519	0.2
193.04910	0.2
213.05507	0.9
231.06490	0.6
234.99001	0.3
237.02701	1.0
241.05031	1.1
258.05246	0.8
259.05832	0.3
287.05499	100.0
288.05774	1.3
299.05402	0.8
304.15353	0.3
311.05606	0.3
325.07144	0.3
329.06500	1.1
330.39749	0.2
353.06500	0.7
383.07828	0.4
413.08640	0.3
431.09558	0.4
449.10794	16.2
556.22565	0.2
641.30371	1.2
743.33716	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	744.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01874	0.3
55.05515	0.1
57.03432	0.1
67.05507	0.3
69.03423	0.2
69.07038	0.1
69.94299	0.2
69.94711	0.1
70.06588	0.4
73.02933	0.1
74.59810	0.1
77.03935	0.3
79.05063	0.1
79.05491	1.3
80.47810	0.1
81.03419	0.4
81.07052	0.3
83.04979	0.1
83.08623	0.1
84.08150	0.2
85.02896	0.3
85.06570	0.1
86.09703	0.2
91.05502	0.2
93.07064	0.2
95.04969	2.1
95.08623	0.1
97.02901	0.3
97.06530	0.2
98.20866	0.1
103.05473	0.1
105.04497	0.3
105.07021	0.1
107.04958	100.0
108.05278	0.8
109.02892	0.3
109.06485	0.1
109.10132	0.1
118.06454	0.1
119.04900	0.1
119.08649	0.1
121.06516	0.2
121.10163	0.1
123.04399	0.1
125.02399	0.2
127.03917	0.1
129.07021	0.1
129.10197	0.1
131.04984	0.1
133.02913	0.1
135.11713	0.1
137.06035	0.1
145.08600	0.1
147.04453	0.1
149.05971	0.2
151.03885	0.6
161.05981	0.1
163.03902	0.1
165.05498	0.1
166.08580	0.1
167.07004	0.1
177.05510	0.3
191.09088	0.1
192.61066	0.1
195.06480	0.4
209.08200	0.1
213.09131	1.2
224.07993	0.1
232.93623	0.1
234.18213	0.1
259.09769	0.1
267.15952	0.1
285.10379	0.1
293.26895	0.1
297.13330	0.1
305.10666	0.3
306.13263	0.1
328.10016	0.1
475.26941	0.1
493.27780	0.1
744.28503	0.2
744.41321	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	21.0
57.03435	6.7
57.07078	4.8
67.05516	16.9
67.23389	2.1
69.07069	24.8
71.08638	3.7
71.50166	3.7
78.99056	2.5
79.05501	17.5
81.07054	20.0
83.08602	15.0
91.05486	5.2
93.07042	25.1
93.44997	2.2
95.04939	3.2
95.08609	36.1
97.06520	4.3
97.10188	6.9
105.07057	5.2
107.04956	3.9
107.08582	22.8
109.10162	7.5
117.07011	3.4
119.08595	4.6
121.06496	4.3
121.10165	11.7
123.11696	3.7
125.05988	2.3
135.11697	37.7
139.11159	2.2
141.50763	2.2
145.10106	22.5
163.11200	41.0
163.12561	3.1
170.21115	2.4
181.12247	6.1
184.07301	5.3
227.12784	59.4
228.13457	2.6
283.15399	84.3
327.27225	2.6
339.28946	95.1
494.65942	2.4
547.39960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.6
53.03948	3.7
53.33261	0.6
55.01872	2.3
55.05492	0.7
56.96548	0.6
57.03436	1.0
58.14758	0.5
59.01361	0.6
59.05001	8.8
61.02930	1.4
65.03941	1.0
67.05505	4.5
69.03426	6.9
70.06592	1.1
70.81117	0.9
70.81460	1.1
71.01371	4.0
71.05000	1.8
73.02913	1.1
77.03932	1.2
79.01846	0.7
79.05494	22.0
81.03420	12.8
81.07056	4.8
83.01339	0.7
83.04967	3.6
84.08150	0.5
85.02907	6.1
87.04465	0.8
88.46965	0.5
91.05494	6.7
93.07041	7.8
95.01333	2.0
95.04967	29.8
95.08610	0.8
97.02891	5.9
97.06522	2.2
99.04462	1.4
103.03946	1.3
103.05467	11.7
105.03371	1.6
105.04494	1.4
105.07027	2.4
107.04955	82.7
109.02877	100.0
109.06506	8.1
111.04452	3.6
111.08065	0.6
115.03980	0.5
117.07027	1.0
119.04942	0.9
121.05595	0.5
121.06501	20.0
123.04430	10.3
125.02353	20.8
125.05976	2.4
127.03899	4.3
131.04924	8.7
133.02827	2.9
133.06490	0.9
135.04419	5.4
137.05952	2.5
137.14630	0.5
139.03903	50.7
139.07521	2.0
141.05472	1.9
145.05000	1.5
145.06596	0.6
147.04440	1.4
149.02310	0.7
149.05977	34.7
151.03903	54.5
153.05467	11.0
157.04956	1.2
159.04417	5.6
159.05553	0.9
163.03922	0.5
163.07471	0.5
165.05476	64.2
167.03366	0.5
167.07053	12.7
175.03951	1.5
177.05469	90.4
181.04948	0.6
181.08586	1.6
191.07048	4.9
195.06526	32.1
209.08090	75.0
213.05565	1.0
213.07588	17.7
227.09131	2.3
233.08034	0.7
233.63931	0.6
251.05531	0.6
259.09525	0.7
269.06461	0.6
269.10211	0.8
295.08090	2.0
301.09091	1.0
303.08685	1.6
321.09558	2.6
339.10739	6.2
353.12119	0.8
371.13300	0.7
387.37518	0.6
431.36176	0.7
481.13443	1.0
485.19705	0.8
507.14548	2.1
533.15985	1.0
553.07568	0.6
701.25769	0.6
745.36188	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	745.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.05520	1.6
56.96541	2.0
61.02933	1.4
67.05504	4.4
69.03429	4.2
70.06602	9.2
70.06917	1.8
71.04990	4.1
71.49066	2.6
72.08144	3.1
73.02928	2.0
79.05493	5.5
81.03429	3.2
81.07037	3.3
84.04520	2.8
84.08148	3.4
85.02904	9.8
85.06552	3.1
86.09718	6.9
91.05472	3.1
93.07028	3.1
95.04957	7.6
95.08614	20.8
97.02898	8.4
97.06516	1.9
98.97589	4.5
99.04468	2.5
104.02035	1.4
105.07033	5.1
107.04962	10.3
107.08604	2.6
109.02858	9.5
109.06504	4.8
110.07156	1.9
111.04462	1.8
111.08086	16.1
113.05992	3.1
115.04015	1.6
116.98639	2.8
119.08569	3.8
120.08155	2.3
121.06494	2.4
121.10145	2.8
123.08047	11.2
127.03919	80.3
129.10239	1.8
130.06529	2.1
131.08580	3.6
133.06509	2.4
134.99725	1.7
135.04393	1.7
135.11716	4.9
137.05937	2.9
139.03931	4.9
145.05011	1.7
147.11710	2.5
149.06010	2.7
149.09625	4.7
151.03903	5.6
151.07545	5.4
153.05435	3.0
161.13249	3.5
165.05482	6.6
165.12697	1.9
167.06979	2.6
173.13272	3.3
177.00693	1.5
177.05461	6.9
179.07047	13.0
189.12749	2.9
195.06519	1.7
197.08101	100.0
198.08383	2.6
207.13808	34.1
209.08098	6.6
219.01897	2.2
225.14836	4.2
237.02858	4.5
240.05751	1.6
339.16351	2.2
359.13141	2.4
413.07730	4.9
452.71295	1.5
674.92609	1.7
745.31555	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	747.3768
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03943	0.8
55.01874	1.0
55.05511	0.9
57.03437	2.2
59.05000	0.6
61.02930	4.2
64.69829	0.4
67.05509	3.4
69.03447	3.1
69.07070	2.2
70.06593	3.2
71.01353	0.6
71.05002	1.6
71.49876	0.6
72.08141	1.3
73.02917	3.5
79.05496	5.4
81.03413	5.9
81.07059	3.8
82.37170	0.4
83.08639	1.6
84.08150	1.2
84.08929	0.5
85.02910	5.5
86.09725	1.8
87.04434	0.9
91.03949	2.8
91.05491	4.1
93.07046	3.6
95.04980	2.3
95.08597	2.4
97.02896	5.0
97.06535	2.2
97.10177	0.7
99.04455	1.2
101.02405	1.4
103.04015	0.5
105.07016	2.7
107.04977	1.4
107.08618	1.5
109.02874	1.3
109.06537	0.6
109.10194	1.0
111.04430	0.6
111.08110	0.9
119.08599	2.2
121.10139	3.9
123.08076	0.5
127.03944	1.5
129.07037	1.2
129.10300	0.8
131.08600	2.1
133.10165	2.1
137.05995	1.4
139.11220	0.8
145.04974	0.6
145.10121	0.9
147.11716	1.9
149.09578	2.5
151.03973	0.5
157.10155	1.4
161.05997	0.5
162.78629	0.5
163.04025	1.1
163.11293	0.6
165.05469	0.7
165.12845	0.5
167.07095	1.3
168.64432	0.5
175.11273	1.4
177.05429	0.5
189.09166	0.5
193.12241	2.3
203.05377	0.6
207.78758	0.5
242.11263	0.5
243.08434	2.6
267.15982	1.8
269.13724	1.9
283.15149	3.6
293.34732	0.5
296.82520	0.5
339.17886	1.1
411.12885	2.0
413.17972	0.6
443.18893	7.0
469.20657	2.7
487.21600	6.7
501.23083	14.3
609.74121	0.6
657.30896	2.7
703.34772	3.4
729.35956	1.7
747.37799	100.0
748.38147	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	747.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18640	0.5
53.03939	1.1
55.01870	0.9
55.05512	2.7
57.03431	2.5
57.07063	1.9
61.02617	0.7
61.02923	13.1
67.05503	4.5
69.03431	5.3
69.07061	4.0
71.04992	1.1
71.08617	2.3
71.50151	0.8
73.02920	5.1
79.05504	3.4
79.88786	0.5
81.03400	2.0
81.06600	0.8
81.07047	8.5
83.04993	1.3
83.08607	2.1
85.02908	13.7
85.06522	1.5
90.67652	0.6
91.03957	8.0
91.05469	2.7
93.07047	3.9
95.04982	1.2
95.08613	5.7
97.02901	8.8
97.06498	2.1
97.10178	0.8
99.04458	1.0
99.08066	1.4
101.02363	1.1
105.07037	2.4
107.08587	3.6
109.02857	1.1
109.06518	8.1
109.10164	3.2
111.08058	1.4
115.03959	0.6
117.06980	0.6
119.08594	3.3
121.06439	0.7
121.10131	4.1
123.08060	17.5
123.11658	0.9
127.03909	3.7
128.48663	0.5
131.04874	0.5
131.08563	1.5
132.85466	0.5
133.10094	2.7
135.08070	3.4
135.11682	1.5
137.09630	1.4
145.04956	2.3
145.10124	1.6
147.04427	0.6
147.11685	1.9
149.09622	1.6
149.13245	0.7
159.11671	2.0
161.09477	0.5
161.13239	1.4
163.05995	1.2
163.11191	0.6
164.62010	0.5
165.12741	1.0
167.14348	0.8
171.11595	0.6
173.09540	0.5
175.14835	0.6
177.12712	1.4
179.14308	34.1
187.14857	0.5
189.16302	0.5
191.14336	0.9
193.15907	1.0
205.15814	2.5
213.11253	0.9
231.25652	0.5
233.43979	0.5
247.20633	0.7
263.19925	1.1
275.20102	2.0
289.25256	1.0
293.21158	1.4
299.18362	1.0
303.26886	2.0
323.18420	0.8
331.26306	15.8
332.26648	0.6
349.27432	4.7
367.24896	1.2
421.29440	0.8
423.31042	100.0
424.31610	2.4
493.31046	0.7
549.34332	1.4
567.35162	1.2
585.36206	2.5
641.29822	0.8
747.39465	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	749.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.0
55.81781	0.8
56.64371	1.0
57.03429	1.5
57.07087	0.9
58.70412	0.8
61.02922	3.0
67.05511	2.4
69.03445	1.3
69.07072	3.1
69.26366	1.8
69.26760	7.6
73.02918	3.3
76.11641	0.8
79.05502	2.4
81.03427	1.8
81.07064	3.5
83.08625	2.4
85.02913	2.6
85.85355	0.9
91.03935	1.4
91.05453	0.8
93.07054	3.2
95.04971	1.0
95.08591	4.2
97.02879	4.0
97.10201	1.5
98.20804	1.4
101.02351	1.2
107.08598	3.0
109.10152	1.2
119.08598	1.2
121.10135	1.8
135.11748	2.0
135.28471	0.8
136.00969	1.0
145.10110	1.1
158.59032	0.8
163.11171	4.1
181.80832	0.8
207.32697	1.0
227.12852	3.5
243.08458	2.4
249.10927	9.2
267.15958	1.2
305.13507	1.5
313.27307	0.9
467.18903	14.5
523.32599	5.7
587.39020	0.9
629.90576	0.8
667.11652	0.9
749.44385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01871	1.1
55.05252	0.4
55.05512	6.6
56.96562	0.6
57.03439	1.0
59.05005	2.1
61.02921	1.0
65.03944	0.7
67.05513	1.9
68.02634	0.5
69.03436	4.7
69.07065	1.1
70.06605	2.6
71.01353	1.3
71.04990	0.9
71.49566	0.6
72.65421	0.4
73.06553	1.5
77.03901	0.5
79.05496	4.2
81.03414	3.5
81.07040	1.3
83.04974	1.8
83.08608	0.5
84.08163	0.7
85.02911	5.0
85.06506	0.4
86.09698	1.2
87.04480	0.4
91.05485	2.9
93.07042	2.9
95.04968	6.3
95.08627	0.9
97.02889	3.8
97.06530	3.1
99.04472	0.7
103.03957	0.7
103.05458	2.3
104.04980	1.5
105.07020	1.2
107.04227	0.9
107.04956	15.5
107.08599	0.5
109.02885	19.9
109.06525	2.1
109.10139	0.7
111.04446	2.5
117.06970	0.5
119.04963	0.4
119.08556	0.6
120.04462	0.8
120.08077	0.5
121.06498	4.3
123.04436	2.7
125.02370	3.1
127.03941	2.2
127.04760	0.4
129.04497	4.8
129.05460	0.6
129.10239	0.6
130.02884	1.2
131.04939	2.3
133.02884	0.8
133.10141	0.7
135.04434	1.5
135.80229	0.4
136.07666	0.4
137.06000	1.5
139.03903	37.5
139.07489	0.7
141.05452	1.1
146.05986	0.5
147.05533	64.7
149.05995	7.9
151.03909	6.1
153.05455	1.1
159.04411	1.5
159.05551	6.2
161.02330	0.7
161.06071	0.5
163.03894	1.0
163.07458	0.5
165.05481	24.1
167.03323	0.4
167.07028	4.1
173.02310	0.4
177.00615	0.4
177.05458	18.2
177.06677	4.0
181.08531	0.5
191.07088	2.2
195.06532	2.4
200.08699	0.4
201.10234	26.1
209.08099	19.8
215.07047	1.4
219.11292	100.0
220.11606	1.4
227.07008	0.4
227.09085	0.8
229.14429	0.4
259.09677	2.4
261.12268	0.9
267.11288	0.5
290.12079	0.4
301.09253	0.8
339.10699	1.5
345.14145	0.5
371.13449	0.6
381.16510	7.3
407.18011	0.6
435.17154	0.5
487.17239	0.8
531.12964	0.6
557.21399	3.8
559.11957	0.6
571.22571	1.0
589.23840	7.8
661.33142	0.7
751.29681	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	752.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.05496	6.3
57.03434	13.4
57.07076	27.8
67.05511	12.4
69.03448	2.2
69.07049	7.8
71.04984	2.2
71.08637	19.7
71.49924	3.4
72.11143	1.7
72.71606	1.5
79.05470	6.9
81.02942	3.5
81.03419	66.4
81.07045	18.4
83.04955	3.2
83.08620	19.2
85.02911	2.4
85.10185	10.8
89.05981	1.8
91.05459	9.5
93.07023	5.0
95.04965	19.6
95.08602	15.6
97.02822	2.3
97.06517	2.4
97.10156	4.4
105.07011	9.0
105.28803	1.5
107.04956	4.4
107.08584	3.9
109.06471	1.7
109.10151	6.9
111.04448	3.0
111.08075	4.2
119.08573	7.5
121.06564	2.0
121.10107	5.3
123.11713	3.6
129.06998	5.0
131.08548	5.7
133.06398	2.5
133.10110	5.8
142.07748	1.6
145.10114	1.8
147.11694	5.1
149.09637	3.4
157.10117	9.0
175.11125	6.2
193.12257	24.5
240.86237	2.0
257.24771	2.2
267.15912	97.4
313.27353	100.0
314.27689	2.1
318.33221	1.7
418.84930	1.8
464.09326	1.8
505.38895	84.5
506.39374	2.4
547.40143	3.0
752.46436	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	752.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.05517	8.6
57.03439	16.5
57.07081	30.3
60.64586	1.3
62.69290	1.4
63.03173	1.2
66.60164	1.4
67.05510	13.6
69.07057	7.5
69.32236	15.1
71.08630	23.7
73.08789	1.6
79.05486	10.5
81.03420	66.9
81.07059	18.0
83.04987	3.3
83.08629	21.5
85.06512	1.8
85.10195	14.3
89.06027	2.2
91.05480	15.9
93.07038	7.0
95.04961	15.0
95.08607	19.8
97.02844	2.0
97.06544	2.0
97.10172	5.9
98.20754	3.3
105.07040	9.6
107.04973	3.6
107.08604	2.7
109.06490	2.2
109.10171	8.8
111.04464	1.5
111.08098	6.2
119.08586	9.5
121.10152	3.4
123.07959	1.8
123.11729	3.3
129.06982	6.3
130.30978	1.6
131.08583	5.3
133.06450	2.8
133.10143	4.9
137.13231	1.7
147.08008	1.6
147.11679	6.4
149.09644	4.1
157.10152	6.3
165.12740	2.0
175.11153	9.7
181.72131	1.5
193.12244	22.6
242.77158	1.5
249.14902	2.6
257.24762	1.7
267.15918	100.0
313.27371	95.0
375.55539	1.8
505.38904	78.6
547.39960	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	753.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02156	3.5
53.03960	6.5
55.01861	13.8
55.05515	41.7
57.03439	18.2
59.04984	5.0
65.03937	6.4
67.05502	100.0
68.69769	3.3
69.03431	24.0
69.07068	17.9
69.44756	26.6
71.04984	11.3
73.02918	6.3
79.05492	37.8
81.03418	98.0
81.07049	48.0
83.04982	18.8
83.08612	23.2
85.02901	42.4
85.06514	3.5
87.04476	3.7
91.05483	37.1
93.07037	25.0
95.04962	29.0
95.08598	17.4
97.02866	17.7
97.06536	9.4
97.10158	13.6
103.03992	3.2
105.07048	21.9
107.04958	13.9
107.08585	16.7
109.02871	25.9
109.06519	8.3
109.10146	54.5
111.04460	10.1
111.08070	8.2
116.98670	3.4
117.06999	4.0
119.08590	26.3
121.06533	5.0
121.10139	15.3
123.04426	6.9
123.08082	5.3
125.09621	13.6
127.03905	10.0
129.07004	10.1
131.03456	3.1
131.08582	13.9
133.06512	7.9
133.10132	7.2
135.08054	3.9
135.11687	3.6
137.09637	6.0
139.03867	3.5
145.10103	7.1
147.08040	5.5
147.11700	11.1
149.09601	6.4
155.08569	4.5
157.10106	11.5
159.11772	3.4
163.11174	13.2
165.12802	4.0
173.04456	10.4
173.11713	20.0
175.11227	13.1
181.12296	4.7
191.10652	6.4
193.12209	40.3
199.93703	3.1
203.99150	3.3
209.11684	5.7
211.13281	49.1
217.12190	4.5
227.12787	5.9
229.14291	27.7
232.52950	3.0
235.13335	4.2
267.15808	15.1
273.15024	5.2
283.15451	6.9
285.17001	6.1
303.67728	3.3
309.16818	5.3
329.64362	4.3
351.62280	3.4
393.19284	4.2
421.26022	3.8
439.26859	55.3
753.39868	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	754.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94786	1.6
53.03945	1.9
55.01868	2.5
55.05512	33.4
57.03438	17.7
57.06800	2.2
57.07076	37.3
59.04992	4.6
61.02924	3.3
67.05507	65.8
69.03431	3.3
69.07069	15.5
71.04975	2.7
71.08636	28.9
71.10816	2.4
71.11151	2.1
79.05495	13.7
81.03410	4.2
81.07057	28.6
83.04980	4.1
83.08611	19.3
85.02908	14.4
85.06527	3.0
85.10175	13.4
87.04466	4.5
89.06041	2.0
91.05470	8.0
93.07047	7.7
95.04991	2.0
95.08601	29.2
97.02911	2.6
97.06514	2.4
97.10165	25.4
103.03960	2.3
105.07024	2.1
107.04964	2.2
107.08627	10.7
109.10155	46.6
111.08086	1.8
111.11673	1.8
119.08583	4.5
123.11761	3.1
125.09637	18.3
127.03857	1.9
131.08554	1.8
133.10159	2.2
143.10672	3.8
155.10680	2.8
163.11192	4.1
173.11737	13.0
199.13254	12.2
227.12773	4.6
229.14343	56.5
239.23679	4.8
257.24951	1.9
283.15372	2.3
301.16400	20.8
313.27365	100.0
422.07199	1.7
437.36328	5.9
455.37244	11.9
467.37347	29.1
539.39337	9.0
609.13000	1.6
636.53357	1.7
743.00391	2.3
754.44696	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	754.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.8
55.01871	2.6
55.05509	30.2
57.03439	13.1
57.06805	1.8
57.07074	32.7
59.04997	2.9
61.02921	2.5
67.05507	51.7
69.03412	3.6
69.07070	11.9
69.94815	1.0
69.95142	5.8
71.04990	2.4
71.08633	22.1
79.05491	12.2
81.03415	4.0
81.05057	0.9
81.07056	22.2
83.04967	3.4
83.08616	16.5
85.02905	16.3
85.06536	1.7
85.10184	12.6
87.04477	5.1
89.06030	1.8
91.05473	4.3
93.07037	5.9
95.08606	23.0
97.02905	3.2
97.06496	2.2
97.10162	22.9
103.03953	1.3
105.07020	1.8
107.04949	2.1
107.08589	7.5
109.10153	40.9
111.08072	1.9
119.08578	4.0
121.10140	2.2
123.11658	1.8
125.09620	18.2
135.11693	1.5
137.09608	1.3
137.13206	1.4
143.10686	4.1
145.10129	1.9
155.10565	2.1
163.11215	3.6
173.11714	13.9
174.11955	1.0
181.12196	1.0
193.12273	1.3
199.13287	12.4
209.11714	2.3
223.47244	1.0
227.12781	6.2
229.14343	55.0
239.23749	7.2
257.13644	1.2
257.24698	2.2
283.15353	2.9
301.16446	20.4
313.27359	100.0
314.27600	3.1
341.26807	1.3
437.36188	6.0
455.37335	11.7
467.37326	27.3
468.37933	1.0
539.39374	11.0
755.45831	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	756.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01628	0.7
55.01864	3.5
55.05511	14.6
57.03440	5.8
59.04998	1.2
64.77142	0.7
65.03928	1.2
67.05510	16.0
68.57159	0.7
69.03440	3.9
69.07069	5.2
70.03900	1.4
70.04265	2.9
70.06308	0.6
70.06601	5.9
71.05009	3.7
71.05338	0.6
77.99091	0.7
79.05030	0.9
79.05493	18.9
81.03421	37.4
81.06605	1.0
81.07059	14.4
83.04981	4.8
83.08621	13.3
84.04499	0.7
84.08127	0.7
85.02908	2.4
85.06566	1.4
86.09699	1.3
87.04445	1.0
91.05479	12.0
93.07046	12.3
95.04971	16.9
95.08605	6.5
97.02893	1.6
97.06524	7.8
97.10173	12.3
105.07031	10.0
107.04963	13.7
107.08599	8.5
109.02898	1.9
109.06519	7.7
109.10133	5.7
111.04429	1.3
111.08083	5.7
115.05444	1.1
117.07027	4.4
119.08589	10.2
120.08095	1.6
121.06511	9.0
121.10166	5.9
123.04436	1.5
123.08073	3.8
123.11721	1.3
125.06009	1.2
125.09626	12.4
129.07004	5.4
131.04936	2.0
131.08565	7.3
133.06474	4.5
133.10133	6.4
135.04408	1.0
135.08057	3.3
135.11688	1.8
137.05992	1.1
137.09616	1.8
141.05478	1.5
141.07034	1.1
142.07768	1.8
143.08560	2.6
143.10739	1.2
145.06500	7.3
145.10126	3.7
147.04425	1.4
147.08058	3.9
147.11719	6.1
149.05952	1.6
149.09631	4.4
151.11163	1.7
153.09157	2.8
153.12810	1.0
155.08580	1.5
157.06502	1.3
157.10133	6.6
159.08041	1.8
159.11671	2.2
161.06010	1.6
161.09587	1.7
163.11188	2.7
165.05518	2.3
165.12750	1.2
167.07065	1.5
167.08440	1.0
167.10706	1.1
169.06424	0.9
169.10120	1.8
171.08067	2.4
171.11632	1.6
173.09625	1.6
173.13229	1.6
175.07668	1.2
175.11249	4.8
177.05499	1.2
181.10178	0.9
183.08093	0.8
185.09624	1.0
185.13257	1.0
187.11118	1.4
187.14783	1.0
189.05502	2.3
189.09494	1.4
189.11227	6.7
189.12735	1.3
190.05862	1.1
191.14388	1.2
193.12256	13.6
195.11755	1.0
197.13246	1.3
199.11264	1.7
199.13188	1.6
203.10403	1.0
205.12250	0.9
209.07980	1.2
211.13242	1.6
213.12749	1.4
215.14363	1.9
219.13867	2.5
225.12706	1.1
227.12538	3.5
227.14760	1.0
233.15332	3.6
235.13243	1.3
237.12686	1.1
239.14572	0.8
241.12158	1.0
241.14403	1.1
249.14908	2.1
255.13748	2.2
267.15918	40.3
268.16293	0.8
271.16998	0.8
273.14755	5.3
283.15359	1.2
285.16983	1.3
287.16434	1.3
293.17526	1.3
317.15991	3.1
339.23196	3.5
349.21542	4.2
357.24194	2.0
367.22684	14.8
385.23727	20.3
403.24902	9.2
405.23969	0.9
423.25232	1.0
441.26376	8.5
459.27426	100.0
460.27548	1.5
477.28503	94.6
491.30145	12.0
501.28387	2.7
509.31808	5.2
541.34186	0.8
567.29492	2.5
616.04822	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	757.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01861	2.5
55.05500	2.9
56.96559	1.4
57.03435	2.2
59.04989	1.2
61.02928	2.5
65.03933	2.3
67.05496	4.5
69.03428	8.7
69.07073	1.5
70.06590	2.7
71.04988	1.6
71.49609	0.8
72.08154	3.2
72.93867	0.7
73.02932	1.2
78.04722	0.9
79.05495	7.8
79.39371	0.7
81.03429	8.2
81.07069	3.8
82.03769	0.8
83.04979	2.1
83.08613	1.0
84.04504	5.0
85.02903	10.3
86.06071	1.4
86.09711	4.3
87.04435	1.0
91.05471	9.7
92.05002	4.9
92.06270	1.9
93.07037	3.4
95.04959	6.5
95.08610	2.2
95.65805	0.7
97.02897	5.6
97.06523	5.3
99.04450	1.4
102.05540	7.3
103.05451	2.4
104.05003	2.9
105.03398	1.8
105.07030	4.9
107.04954	8.1
107.08604	1.6
109.02866	3.8
109.06496	1.8
109.10160	2.3
111.04486	1.5
111.05283	0.7
111.08112	1.4
114.05537	3.8
115.05412	5.4
116.43568	0.6
117.07011	13.6
118.07810	1.1
119.04948	1.8
119.08583	3.0
120.04463	33.1
121.02877	0.9
121.06501	2.4
121.10157	1.2
123.04428	1.3
123.11685	0.9
127.03902	2.5
128.06230	2.1
129.04494	5.0
129.06989	5.1
129.10236	0.6
130.02896	8.6
130.03911	1.4
130.04967	1.5
131.04897	3.9
131.08582	2.8
132.04460	2.8
133.02852	0.6
133.06500	1.7
133.10135	1.6
135.04382	5.5
137.05956	1.5
139.03906	3.4
141.06973	4.1
143.08609	2.2
144.05762	1.0
145.06482	19.7
145.10097	2.4
147.05525	80.7
147.08023	2.5
147.11671	1.1
149.05954	1.0
149.09642	0.8
151.03902	1.8
151.07553	0.9
153.06996	2.7
154.07759	3.9
155.06067	1.4
155.08569	6.0
157.06500	3.0
157.10112	1.6
159.04401	1.6
159.08017	1.5
159.11708	1.0
161.05969	1.6
163.03914	1.9
165.05498	17.8
165.06975	2.2
167.07056	4.4
167.08469	1.5
168.05753	0.8
169.06635	1.6
169.10132	4.5
170.04504	2.5
171.04478	1.1
171.07889	2.0
173.05983	18.6
173.07384	1.3
173.09665	1.5
174.90686	0.8
175.07596	1.5
175.11162	0.8
177.05473	2.8
178.07767	2.9
179.07101	1.2
179.08553	7.7
181.05060	0.7
181.06520	2.8
182.07257	3.0
183.04189	0.8
183.08069	8.2
185.05977	1.0
185.09610	1.6
187.07161	7.6
187.11232	1.4
188.07338	1.0
189.05487	1.8
191.07066	1.5
193.12276	1.8
197.07698	1.0
197.09599	8.8
199.07481	1.2
201.05469	11.1
201.09251	0.8
207.08102	3.9
207.09825	0.7
207.13777	1.5
209.06097	1.2
209.08142	2.0
210.06754	2.0
211.07565	3.0
211.13383	2.1
212.13715	0.8
215.07077	1.8
215.10570	1.1
223.08701	6.3
225.09084	10.2
227.07022	1.0
235.07458	1.3
237.10231	2.3
238.11060	1.0
241.08600	1.3
243.10184	1.9
245.10808	0.8
247.08533	1.2
249.10312	2.9
251.08133	17.2
251.10699	0.9
252.08861	0.7
253.08539	8.5
259.09509	1.4
262.07144	0.8
262.75055	0.6
263.08234	1.6
263.11813	1.6
264.08835	0.9
265.09827	1.1
265.13959	0.7
265.37418	0.7
267.15985	2.4
268.16135	0.9
271.09607	1.3
272.12216	1.1
273.10272	0.9
285.11264	1.2
285.17090	1.0
291.11295	2.9
292.12094	1.0
300.11902	4.2
303.11118	0.8
311.12082	0.8
317.09412	1.2
319.10715	3.2
329.12894	1.4
341.37393	0.7
345.08765	0.8
347.10245	10.8
347.13934	1.2
351.13348	0.9
353.12634	0.9
369.19238	0.7
371.13925	3.4
371.18576	0.8
373.16251	0.8
379.12833	10.5
380.13159	0.8
381.12424	1.4
389.14941	3.6
399.13446	6.8
399.18823	5.2
400.18875	3.6
417.14420	20.6
421.17972	0.8
431.16061	10.9
449.17047	7.8
493.15240	5.2
496.29758	1.1
512.27362	2.5
513.27728	1.6
525.17676	9.0
545.17999	7.7
563.19220	100.0
564.19446	5.3
577.20825	35.0
577.30054	1.6
578.21271	1.7
595.21838	54.7
596.21796	2.4
611.22388	1.3
620.91699	0.6
739.25983	0.9
757.27393	2.5
757.40088	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	757.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.05512	0.7
57.03434	1.2
57.07081	3.2
59.04998	0.6
61.02929	3.7
64.18258	0.3
67.05510	1.9
69.03441	1.9
69.07067	1.1
70.68693	1.1
71.05000	1.0
71.08643	1.5
73.02913	2.2
79.05500	1.3
81.03416	3.4
81.07061	2.9
83.08619	1.7
85.02908	3.5
85.10197	1.4
87.04485	0.5
91.03950	2.8
91.05487	2.0
93.07047	1.1
95.05002	0.9
95.08609	2.2
97.02901	3.9
97.10185	0.8
99.04470	0.8
101.02377	1.6
105.07039	0.7
107.08619	0.8
109.02874	0.8
109.06528	0.4
109.10197	1.1
111.08060	0.4
119.08604	0.9
121.10184	1.2
123.11740	0.5
127.03906	1.6
131.08601	1.4
133.10149	0.6
145.04916	0.3
147.11717	0.7
149.09645	1.6
157.10155	0.6
175.11237	0.7
175.69641	0.4
183.97510	0.4
185.04189	0.4
186.61601	0.4
193.12354	1.4
243.08360	2.1
253.14157	0.4
267.16022	1.0
283.15106	5.4
283.17612	0.4
307.15182	0.4
313.27545	1.0
339.17871	1.5
441.21393	0.4
469.20599	0.5
497.30814	6.3
501.23056	13.7
502.23636	0.6
587.75757	0.3
595.42236	0.4
757.47052	100.0
758.47284	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	758.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01878	9.8
55.05511	52.6
57.03436	21.5
57.07082	2.0
59.04997	7.3
61.02927	16.5
61.87008	0.8
65.03952	1.7
67.05505	100.0
69.03431	8.0
69.07068	14.6
69.16110	1.3
69.16504	8.2
69.78186	1.0
70.06594	0.9
71.01356	2.8
71.04982	5.5
72.08154	0.7
73.02911	9.0
75.04482	3.1
79.05491	29.0
81.03417	16.9
81.07053	35.1
83.01337	1.1
83.04969	14.8
83.08619	22.5
83.67570	0.7
84.24004	0.8
85.02904	37.3
85.06541	5.6
86.09702	1.0
87.04465	9.4
91.03951	11.5
91.05473	14.4
93.07050	15.3
94.63713	0.8
95.04966	7.6
95.08610	16.0
97.02889	14.9
97.06522	7.1
97.10167	37.5
97.70898	0.8
99.04433	2.7
99.08083	2.2
101.02385	1.5
101.06050	0.9
103.03933	14.1
105.07030	5.9
107.04938	7.2
107.08590	20.0
107.09313	1.0
109.02904	2.1
109.06532	2.8
109.10155	89.4
111.04444	6.6
111.08054	4.3
115.03941	1.4
117.07033	3.7
119.08585	11.3
121.06531	1.5
121.10142	5.4
123.04447	0.9
123.08084	2.8
125.09628	42.1
127.03921	7.7
129.05507	2.0
129.07011	1.5
131.04951	1.0
131.08582	3.2
133.10120	2.4
135.08038	2.2
135.11690	9.8
137.09650	4.6
139.07614	1.1
141.09064	0.9
143.10681	9.7
145.04939	5.0
145.10132	7.2
147.08060	1.9
147.09128	0.8
147.11707	1.4
149.09595	1.5
153.12737	14.5
155.08598	1.1
155.10623	5.8
157.10077	1.1
159.06483	1.9
159.10117	1.1
163.05995	8.3
163.11169	16.6
165.05550	0.9
173.04431	4.0
173.09540	2.9
173.11737	39.3
175.11169	1.3
181.12233	10.6
181.73872	0.8
189.11169	4.8
191.10660	7.3
193.12244	3.1
199.13313	9.7
209.11739	14.5
211.13177	0.9
211.37303	0.9
217.14375	4.9
227.12764	20.3
229.14343	76.7
231.69180	0.8
245.13737	5.4
257.13831	28.1
265.14261	1.1
273.16980	1.0
283.15390	30.8
293.11176	0.8
301.16446	56.1
319.17496	10.4
399.23770	4.2
444.53909	0.9
445.20755	1.1
463.21622	2.2
543.28284	1.1
544.13263	0.8
561.28638	2.6
615.27972	0.8
758.33752	0.9
774.26343	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	759.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96313	1.0
56.96559	10.0
71.36706	0.9
79.00675	0.6
80.93173	0.6
81.03384	0.9
84.96025	3.5
85.02868	1.4
97.02850	1.4
98.97576	44.7
102.97018	0.8
106.65433	0.6
110.96780	0.7
110.97551	11.9
110.98255	0.6
112.89564	0.8
116.98617	38.8
128.98604	26.2
131.00116	1.7
131.01909	0.6
133.03453	0.7
134.98686	1.2
134.99648	19.7
140.00131	1.0
140.98608	2.8
142.99118	0.7
143.00157	9.0
145.01723	0.8
146.99651	30.3
149.01181	1.8
152.98593	2.0
153.00667	1.7
158.01170	0.7
158.99646	21.5
161.01233	14.6
162.99136	0.8
165.00723	5.8
170.01228	0.9
170.99640	30.0
173.01201	1.9
173.02814	0.8
174.99147	1.0
175.02811	0.6
177.00703	29.0
179.02287	2.9
181.01788	0.6
182.99612	10.6
189.00700	55.8
191.02304	1.4
194.99771	1.0
195.01732	3.9
200.02245	0.6
201.00702	58.1
203.02278	1.3
203.03909	0.7
203.07487	0.6
207.01730	6.4
212.02361	1.5
213.00764	5.2
215.01981	0.7
219.01753	59.2
220.02145	1.0
224.02313	1.5
225.00648	0.7
231.01772	8.3
237.02815	46.6
242.03314	1.3
243.01750	22.8
249.02838	1.3
254.99788	3.2
255.03877	17.8
261.02811	100.0
262.03336	0.9
265.02261	0.7
273.00348	2.9
273.02795	6.4
273.05167	0.8
279.03870	61.3
280.04248	0.8
291.03891	16.8
293.05392	0.6
297.05045	2.8
302.05441	3.3
303.03799	1.5
309.04932	2.9
314.05569	0.9
321.04913	34.9
333.04877	5.7
351.05948	10.2
363.05969	1.6
367.14911	0.6
369.09924	1.0
381.07025	19.7
399.08044	25.1
400.08160	0.8
417.04703	92.2
417.12592	3.2
418.05295	0.7
422.09705	1.0
423.08292	1.3
435.05753	17.5
435.11646	0.9
441.09143	94.1
442.09659	1.3
453.09082	3.2
458.07214	2.2
471.10117	3.8
501.11212	6.3
525.11237	1.0
543.12384	3.5
561.13165	1.7
603.14594	1.5
723.18372	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	759.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01867	1.7
59.05005	7.6
65.03931	0.7
67.05498	4.1
69.03434	5.7
71.01364	3.8
71.04995	1.6
73.02936	1.0
77.03907	0.8
79.05498	17.4
79.06214	1.0
81.03423	9.6
81.07072	0.9
82.43961	0.8
83.04985	2.1
85.02904	3.8
91.05478	6.2
93.07055	6.9
95.01320	0.7
95.04971	22.8
95.08601	1.5
97.02874	3.9
98.20711	1.0
99.04465	1.6
103.03947	2.0
103.05475	10.2
105.03384	1.5
105.04510	1.7
105.07043	1.5
107.04958	100.0
109.02880	78.9
109.06511	6.2
110.03203	0.8
111.04443	3.1
115.03853	0.9
121.02872	0.9
121.06511	19.8
122.03667	0.9
123.04442	6.7
125.02358	9.8
125.05997	1.2
127.03928	5.1
130.47163	0.7
131.04944	7.4
133.02838	3.1
135.04422	6.7
137.05989	2.9
139.03908	41.4
139.07567	2.3
141.05461	1.2
145.04961	1.3
147.04424	0.9
149.05978	30.3
149.65781	0.7
151.03906	25.4
153.05490	3.4
159.04420	5.2
165.05481	91.0
166.05811	1.1
167.07053	23.6
169.04927	0.7
177.05470	73.1
178.05673	0.9
181.08582	2.2
183.06509	0.9
189.07454	0.9
191.07037	3.0
195.06546	12.7
209.08092	72.2
210.08337	1.2
227.09137	12.7
295.08130	0.8
301.09167	1.1
312.25510	0.6
321.09787	1.3
339.10699	4.8
434.86917	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	759.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01861	2.2
57.03424	1.7
59.05006	7.9
64.79706	1.1
66.37656	1.0
67.05500	3.2
69.03426	6.0
70.17158	1.8
70.17552	2.3
71.01340	3.3
71.04975	1.3
74.00721	1.0
77.03920	1.6
77.47509	1.0
78.83322	1.0
79.05497	22.0
81.03417	10.0
81.07052	2.6
83.04973	2.9
85.02875	4.9
87.04383	1.0
91.05465	7.8
93.07043	8.5
95.04969	25.2
97.02893	4.5
99.04442	1.1
103.05464	12.3
105.03373	1.3
105.04510	1.6
105.07035	2.9
107.04958	100.0
109.02878	85.3
109.06505	5.9
110.03214	1.1
111.04449	4.1
121.05686	0.7
121.06499	19.5
123.04445	9.6
125.02367	10.2
125.05954	1.6
127.03934	3.8
131.04941	6.1
133.02846	2.2
135.04408	5.3
137.05962	3.9
137.09532	1.3
139.03908	42.9
139.07524	2.3
141.05521	1.2
147.04475	1.4
149.05981	27.8
150.06323	1.2
151.03902	24.4
153.05453	3.9
159.04417	5.7
159.05534	1.1
165.05478	94.0
167.07042	23.9
177.05475	72.9
178.05771	2.3
181.08614	1.8
183.06447	1.1
187.06151	1.2
191.07039	3.9
195.06529	17.2
197.10234	1.1
209.08090	69.8
210.08421	2.4
227.09158	13.4
321.09415	1.2
339.10623	3.2
371.13376	1.8
416.40616	1.0
459.56738	1.1
459.71609	1.0
558.17035	1.1
668.91010	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	759.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
53.35689	0.5
55.01876	2.1
55.05509	1.4
57.03447	1.2
59.04717	0.7
59.05005	10.6
61.02935	0.8
63.02364	0.5
65.03971	0.8
67.05502	5.6
68.02657	0.5
69.03437	3.6
69.25836	3.5
69.26247	1.1
70.06612	0.7
71.01358	2.7
71.04991	2.5
73.02924	0.6
77.03932	1.1
79.05496	20.7
81.03419	10.4
81.07046	3.6
83.01355	0.6
83.04984	2.8
85.02908	5.5
86.09689	0.7
87.04478	1.0
89.84522	0.5
91.05485	8.4
93.07046	8.5
94.04212	0.7
95.01325	0.9
95.04972	26.0
95.08600	1.4
97.02885	4.4
97.06536	1.6
98.20801	0.7
99.04446	1.7
103.03932	1.8
103.05474	10.1
105.03369	1.9
105.04493	1.5
105.07034	2.2
107.04959	100.0
108.05280	1.3
109.02882	87.6
109.06529	6.1
109.10186	0.7
110.03233	0.8
111.04440	4.4
111.08102	1.0
115.05436	0.8
117.07102	0.6
119.04929	0.7
119.08521	0.5
121.06510	18.1
123.03596	0.8
123.04432	8.4
123.05245	0.8
125.02364	8.3
125.05981	1.5
126.02709	0.5
127.03934	4.0
131.04941	6.7
133.02826	2.3
135.04431	6.6
137.05984	2.9
139.03908	46.4
139.07509	2.4
140.04247	0.6
140.39671	0.5
141.05473	2.4
145.04941	1.7
147.04387	0.9
149.05988	31.8
151.03908	24.2
151.05145	0.9
152.04286	0.6
153.05466	4.1
157.04964	1.0
159.04434	5.7
163.07538	0.8
165.05481	89.0
166.05867	1.2
167.07047	24.4
169.04991	0.7
175.03966	0.7
177.05475	73.9
178.05789	1.4
181.08563	2.4
190.28998	0.5
191.07048	3.7
193.12311	0.7
195.06552	17.3
203.06999	0.5
209.08096	73.1
210.08403	1.0
227.09138	12.1
269.10214	0.8
295.08148	1.0
301.09174	0.7
303.08719	0.7
321.09650	1.7
339.10678	4.3
347.28171	0.5
371.13455	1.0
495.15512	0.6
753.85681	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	759.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01874	1.8
55.05505	1.2
59.05002	10.2
61.02923	0.8
65.03938	0.8
67.05516	3.6
69.03426	4.7
70.02715	1.9
70.03114	1.4
71.01351	3.1
71.05001	1.5
77.03937	1.2
79.01878	1.0
79.05493	20.0
81.03423	9.3
81.07056	2.9
83.01321	0.8
83.04983	3.2
85.01563	0.7
85.02901	3.4
91.05482	5.8
91.22791	0.7
93.07049	9.0
95.01328	1.1
95.04971	23.5
95.08607	1.1
97.02887	3.4
99.04535	0.8
103.03980	0.9
103.05456	10.3
105.04503	0.9
105.07029	1.5
105.81451	0.7
107.04957	100.0
109.02879	87.3
109.06528	7.7
111.04446	5.1
119.04954	0.8
119.08599	0.8
121.06505	19.3
123.04430	6.6
125.02342	7.9
125.05972	1.2
127.03896	4.0
131.04938	7.1
133.02870	2.4
135.04422	5.9
137.05986	3.2
139.03905	49.4
139.07532	2.8
141.05438	1.5
145.04985	1.2
147.04443	1.5
149.05978	34.1
151.03911	24.5
153.05464	3.5
159.04439	5.8
165.05481	99.0
167.07043	23.5
177.05472	77.5
178.05772	0.9
181.08571	2.0
191.07028	3.4
195.06519	12.3
209.08095	78.1
227.09108	11.6
243.19719	0.8
243.22829	0.7
269.06595	0.8
269.10229	1.3
295.08109	1.4
301.09073	0.9
303.08698	1.0
321.09497	2.1
339.10800	5.2
347.04962	0.8
371.13449	1.6
397.52338	0.9
401.22787	0.8
406.88736	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	759.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01869	2.0
55.05551	0.5
56.96569	0.9
57.03431	1.2
61.02912	0.7
65.03934	0.5
67.05506	2.2
69.03424	6.7
69.49088	0.8
69.49489	2.4
70.06598	0.9
70.07057	0.4
71.01357	1.2
71.04987	1.4
77.03935	0.7
79.05491	6.8
81.03420	4.3
81.07058	2.1
81.79974	0.4
83.01324	0.6
83.04969	1.0
85.02898	7.6
91.05485	3.8
93.07058	4.7
95.04965	61.9
95.08582	0.5
97.02891	9.7
97.06540	1.4
98.20690	0.8
98.97586	1.1
99.04449	1.5
103.05479	4.9
105.03407	0.5
105.04506	1.1
105.07024	1.4
107.04953	49.9
107.08591	0.8
109.02877	27.5
109.06512	4.5
109.10170	0.6
111.08079	0.7
116.98609	0.6
119.08582	1.0
121.06501	11.6
123.04433	13.3
123.08055	1.1
125.02349	30.1
125.06001	5.0
127.03915	5.5
128.98643	0.5
131.04927	3.0
131.08548	0.5
133.02870	1.5
133.06519	0.5
133.10187	0.5
135.04417	4.3
135.08060	1.1
135.11699	0.7
137.09628	0.5
145.04927	2.2
146.99640	0.5
147.04411	0.9
147.08092	0.5
149.05977	19.6
149.09627	2.0
151.03902	100.0
151.11160	0.5
152.04185	0.6
153.05461	9.4
153.09062	0.8
159.04420	2.2
159.11693	0.7
161.09682	0.7
163.11150	0.9
165.05435	0.7
167.03346	0.4
167.07027	1.4
169.04977	0.5
175.11143	2.2
177.05466	31.4
177.12708	1.5
179.10678	1.3
187.11111	0.5
193.04871	1.0
193.12256	5.1
195.06523	96.7
196.06905	0.6
205.12224	4.6
213.05559	0.9
213.07573	15.9
213.09581	1.0
223.13271	7.4
237.02797	1.5
285.02914	0.5
287.04428	0.6
294.05579	0.6
295.08051	2.0
303.06372	0.6
303.56271	0.6
311.04291	0.5
313.08408	0.4
321.09784	2.1
339.10800	6.4
357.11755	10.8
411.06155	0.5
487.07516	0.5
501.16119	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	760.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01873	9.6
55.05513	54.4
57.03436	19.0
59.04993	5.4
61.02929	16.7
62.90838	1.5
65.03933	2.5
67.05507	99.1
68.05838	1.5
69.03430	9.8
69.07073	12.5
69.43626	10.4
70.06590	2.0
71.01347	4.0
71.04996	7.7
73.02909	9.9
75.04481	1.9
79.05497	25.6
81.03424	12.7
81.07058	34.3
83.01357	1.6
83.04986	14.6
83.08625	20.4
85.02908	42.3
85.06547	4.3
85.34805	1.7
87.04460	8.6
91.03961	14.7
91.05467	13.7
93.07039	16.4
95.04968	7.3
95.08611	17.0
97.02891	14.9
97.06523	12.8
97.10171	39.2
99.04443	2.4
103.03944	16.3
105.07043	7.2
107.04983	8.8
107.08599	17.8
109.02866	3.5
109.10160	92.2
110.10532	1.9
111.04454	6.0
111.08076	4.9
111.15247	1.6
117.07021	3.7
119.08578	13.2
121.10149	4.9
123.04427	2.1
123.08106	3.5
125.09631	47.6
126.09930	1.5
127.03930	7.1
131.08566	4.3
133.08636	1.9
133.10136	2.6
134.06895	1.6
135.11670	8.4
137.09607	6.9
143.10681	12.0
145.04968	5.1
145.10168	6.2
147.11626	2.0
151.03867	1.7
153.12744	14.6
155.08603	2.1
155.10690	8.1
157.66504	1.8
159.06596	1.8
163.06026	9.3
163.11169	18.8
173.04468	4.0
173.09599	2.9
173.11739	52.7
174.12141	1.8
181.12238	11.9
184.07355	2.8
189.11197	4.0
191.10779	7.7
193.12346	2.3
199.13277	14.5
209.11717	18.9
217.01138	1.5
217.14343	8.3
227.12756	28.4
229.14348	100.0
230.14584	2.9
245.13788	7.6
257.13867	31.5
259.09631	1.8
273.17038	2.9
283.15396	42.4
285.09854	1.6
301.16464	67.3
319.17529	21.3
401.25461	2.9
445.20676	1.8
463.22162	2.3
479.00543	1.6
563.29590	3.4
568.29724	1.6
584.67682	1.7
692.98663	1.5
760.25745	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	761.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
55.28699	0.5
58.82495	0.5
59.04995	1.3
61.02925	0.5
61.61890	0.5
67.05502	2.0
69.03440	2.2
69.51048	4.2
69.51372	1.1
70.06577	1.0
71.01355	0.6
71.05007	1.0
79.05482	3.8
81.03432	5.4
81.07042	3.5
83.04980	1.7
84.08157	0.9
85.02903	2.3
85.06548	0.7
86.83315	0.5
91.05486	1.8
93.07050	2.4
95.04973	7.2
95.08610	2.7
97.02889	1.9
99.04430	0.7
103.05467	2.1
105.07049	3.9
107.04960	11.2
107.05658	0.9
108.05254	1.2
109.02882	25.3
109.06519	5.0
110.03252	0.8
111.04466	2.2
111.08086	7.4
113.06014	2.0
121.06528	3.9
122.34140	0.5
123.04446	2.1
123.08055	2.6
125.02380	1.0
127.03923	7.8
129.10251	0.6
131.04913	0.7
133.06505	2.7
135.04425	1.2
136.06215	2.3
137.05960	0.9
139.03908	5.9
141.05469	92.3
145.05066	0.6
149.05983	3.8
151.03902	3.8
151.07547	5.7
161.05989	1.7
165.05482	14.8
166.05768	1.2
167.07028	4.9
177.05475	12.0
177.06940	1.0
178.05818	0.8
179.07094	8.3
181.08669	0.5
183.06584	0.7
186.31232	0.6
191.07043	0.8
193.08612	2.1
193.12160	0.5
195.06535	2.5
197.08185	2.7
197.09752	0.6
205.08620	1.1
209.08092	11.7
211.09665	100.0
212.10001	0.7
213.53624	0.5
227.09053	0.8
228.43434	0.6
229.10690	2.7
276.37149	0.7
373.14777	2.3
412.03305	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	761.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
53.34100	0.4
55.01878	0.7
55.05502	1.9
57.03427	1.8
59.04999	0.9
59.35107	0.4
61.02922	4.0
67.05495	3.4
69.03433	3.5
69.07064	1.3
70.06599	1.1
71.01336	0.5
71.04992	2.2
71.49459	0.7
73.02915	3.6
77.70599	0.4
79.05495	3.9
81.03413	6.2
81.07058	3.5
83.04996	1.1
83.08614	1.4
84.08166	0.4
85.02905	5.5
85.06562	0.5
86.09718	0.7
87.04478	0.8
91.03954	2.2
91.05476	4.9
93.07043	3.0
95.04971	3.1
95.08627	2.2
97.02890	3.7
97.06525	2.5
99.04485	0.9
101.02385	1.5
103.03946	0.6
105.07027	3.0
107.04964	1.4
107.08604	2.7
109.02893	1.5
109.06507	0.7
109.10146	1.1
111.04439	0.5
111.08092	1.1
115.03986	0.5
117.07024	0.5
119.08579	2.5
121.10154	2.9
123.08076	0.6
123.78996	0.4
125.09682	0.4
127.03938	1.5
129.07039	1.7
129.10320	0.4
131.08563	2.7
133.10098	2.6
137.06027	0.7
139.03900	0.7
142.07817	0.5
145.05057	0.5
145.10164	0.6
147.08037	0.9
147.11700	2.2
149.09613	3.2
151.03864	0.7
151.42952	0.4
153.01855	0.6
157.10109	2.3
165.05540	0.8
165.12808	0.6
167.07092	0.7
175.11244	1.6
181.12225	0.4
185.04228	0.5
193.12202	2.8
197.15378	0.8
203.05325	0.7
209.08078	0.4
211.13390	0.7
212.71542	0.4
215.07097	0.6
224.08220	0.5
225.14934	0.9
233.11505	0.5
243.08363	2.9
253.14088	0.8
259.09869	0.5
267.15961	2.0
283.15146	7.4
339.17825	2.4
350.62512	0.5
441.21219	0.7
469.20569	0.9
477.15515	1.2
483.21622	0.4
501.23050	28.7
502.23685	0.5
599.33942	1.2
657.31244	1.0
761.39288	100.0
762.39520	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	762.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
53.49273	0.1
55.01861	0.2
55.05506	0.4
57.03453	0.7
61.02931	3.7
67.05507	0.9
69.03430	1.2
69.07053	0.2
69.49648	0.4
69.50072	0.7
70.06594	0.7
71.01353	0.1
71.04967	0.3
72.08151	0.1
72.45747	0.1
73.02927	1.3
79.05491	1.0
81.03423	6.5
81.07053	0.7
83.04977	0.4
83.08626	1.7
84.08135	0.4
85.02909	4.2
86.09698	0.2
91.03956	2.4
91.05483	1.0
93.07025	0.6
95.04971	2.4
95.08611	0.4
97.02895	2.9
97.06538	0.2
99.04465	0.3
101.02399	0.2
105.07020	1.0
107.04970	1.6
107.08601	0.2
108.05264	0.2
109.02889	1.4
109.06512	0.3
110.03184	0.3
111.04434	0.3
111.08073	1.1
115.03999	0.1
117.07037	0.2
119.03566	0.4
119.08604	0.7
121.06514	0.5
121.10180	0.3
123.04423	0.3
125.02350	0.2
127.03912	1.2
129.07019	0.8
129.10245	0.3
131.08559	0.6
133.06493	0.2
133.10139	0.5
135.04393	0.2
136.06189	100.0
137.04617	0.8
137.06604	0.2
139.03931	0.4
141.05469	3.2
141.66057	0.1
142.05774	0.8
145.04953	0.6
145.10065	0.1
147.08014	0.2
147.11667	0.5
148.08900	0.1
149.06047	0.3
149.09689	0.2
151.03903	0.4
151.07500	0.3
157.10143	0.8
159.04381	0.1
163.06058	0.4
165.05464	0.8
165.12756	0.2
166.05818	0.3
167.07092	0.4
175.11227	1.1
177.00574	0.2
177.05511	0.5
178.05818	0.3
178.07156	0.4
179.07025	0.3
193.12247	5.2
195.06503	0.2
209.08121	0.7
210.08553	0.3
211.09666	2.9
211.13258	0.6
212.10040	1.2
219.01700	0.2
223.13234	0.2
235.13412	0.2
267.15918	3.2
285.16971	5.2
298.11615	0.4
309.16922	0.5
363.18134	0.2
393.18890	0.2
420.22437	2.5
438.23581	2.3
440.56006	0.2
582.27692	2.8
600.19916	0.2
600.28815	2.6
744.32935	2.8
762.34113	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	770.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.05501	4.1
55.82767	0.5
56.05019	2.3
56.96570	0.6
57.03429	1.9
57.07054	0.9
58.48545	0.5
60.04515	1.1
61.02907	0.5
61.08451	0.5
63.15376	0.5
63.75107	0.5
65.03920	0.9
67.05502	10.9
68.91659	0.5
69.03436	4.3
69.07069	4.0
70.06596	3.7
71.04975	3.6
71.49427	0.6
72.08131	0.6
73.02934	1.0
76.09739	0.6
79.05025	0.6
79.05494	12.7
80.05013	1.6
81.03406	4.4
81.05805	1.0
81.06606	0.8
81.07059	11.4
82.06577	2.9
83.04965	1.5
83.08629	4.0
84.04523	0.8
84.08131	1.8
85.02905	4.5
85.06522	2.2
86.06072	0.6
86.09692	2.2
86.10203	0.5
87.04459	2.5
91.05479	5.3
93.07042	18.8
94.06570	14.5
95.04971	5.4
95.07995	1.3
95.08604	23.0
96.08128	2.5
97.02886	1.4
97.06531	8.6
97.10142	1.6
98.97619	0.6
99.04468	0.7
103.05455	1.2
105.07026	9.9
107.04909	1.4
109.10138	3.7
110.09673	9.5
111.07306	0.7
111.08076	12.2
119.08546	0.5
120.08071	1.3
121.06519	1.0
121.10133	1.3
122.09665	26.5
122.83863	0.6
123.08064	24.8
123.08979	1.2
123.11697	0.9
127.03861	0.6
128.10718	23.6
131.08604	0.6
133.10092	0.6
136.06198	0.5
137.13246	1.2
139.03886	0.6
140.10699	73.4
141.09099	16.1
147.04323	0.6
147.11659	0.7
151.11159	0.5
152.05650	0.8
158.11769	6.0
161.05946	0.7
161.09726	0.6
162.07745	1.7
163.03891	0.7
167.07098	0.7
172.65376	0.5
191.06955	0.6
193.12143	0.7
207.21013	0.9
213.83188	0.5
225.09343	0.5
225.22185	1.4
241.08551	0.8
259.09732	1.2
267.15927	0.8
270.24326	4.8
285.17236	0.6
288.25278	7.0
292.19193	0.9
301.31927	0.6
312.25919	0.6
314.26758	1.8
353.63165	0.5
380.31430	3.0
392.31534	1.0
398.32657	1.5
406.18048	0.5
410.27185	1.0
410.32660	19.0
428.33698	100.0
429.33987	2.1
430.08142	0.6
433.84683	0.6
446.34726	0.7
509.27512	0.8
646.56860	0.7
654.35443	0.6
770.43542	0.7
771.21912	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	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08163	2.3
55.01878	19.2
55.05512	57.1
55.13676	2.4
57.03439	24.4
57.65752	2.0
59.04977	5.3
61.02918	7.9
62.95250	1.9
65.03934	3.1
67.05510	81.7
68.78568	2.0
69.03432	11.5
69.07073	50.1
71.01348	2.6
71.04984	10.3
72.90678	2.0
73.02914	4.5
79.05495	83.0
79.10674	2.1
81.03422	47.5
81.07059	94.3
83.01352	12.3
83.04980	29.8
83.08620	39.6
85.02902	20.2
85.06548	4.6
91.03958	3.7
91.05486	60.4
93.07047	79.5
95.04974	31.5
95.08613	39.0
97.02892	13.0
97.06548	25.1
97.10168	22.7
99.04452	6.6
99.08077	2.7
105.06331	3.3
105.07034	51.0
107.04957	24.4
107.08595	47.6
109.02875	4.5
109.06535	17.2
109.10175	13.6
109.28851	2.3
111.04428	4.0
111.08106	8.7
113.06026	2.8
117.07025	23.7
118.41326	2.5
119.04942	2.5
119.08589	40.1
121.06505	10.5
121.10162	22.0
123.08064	21.0
123.11716	5.2
125.05982	3.4
125.09636	17.2
127.03950	7.0
128.06281	2.7
129.06966	12.9
131.08577	31.4
133.06509	4.0
133.10144	26.7
134.15938	2.4
135.08092	7.7
135.11673	24.2
137.09607	8.4
139.07646	2.5
140.39490	2.1
143.08562	6.7
145.10114	39.8
147.08072	6.6
147.11703	22.7
149.09625	17.0
149.13290	5.4
153.12900	2.9
155.08519	4.2
157.10136	12.0
159.11716	13.3
161.09532	3.1
163.11174	38.6
165.12788	2.6
171.11699	5.3
173.09634	4.4
173.13234	5.7
175.11148	11.7
177.12738	6.5
178.51668	2.4
179.14323	4.7
181.12250	3.7
187.11258	2.8
189.11241	10.2
191.10625	4.4
193.12267	18.7
195.13857	5.3
209.11794	7.4
211.13264	23.8
223.13350	9.9
227.12779	38.2
255.16017	7.1
257.19009	12.4
265.14291	3.4
265.97855	2.3
267.15860	19.5
269.17416	14.6
273.18475	7.5
275.20047	40.4
283.15399	100.0
285.17041	26.1
287.22943	2.3
291.19534	59.3
293.21097	4.0
349.23718	33.7
365.23248	24.3
437.25330	2.7
453.24884	8.2
459.27896	2.5
461.29080	4.4
463.26843	14.8
477.28488	61.6
539.33875	4.8
557.34778	67.0
575.35889	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	773.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
61.02944	1.5
67.05505	6.1
69.07050	2.4
71.49975	1.7
79.05480	3.5
81.07060	5.3
83.08643	1.5
84.74944	1.3
91.05505	3.7
93.07063	4.7
95.08611	5.3
105.07050	4.5
107.08581	2.4
109.10192	2.7
116.13934	1.3
119.08585	3.1
121.10130	2.2
126.80318	1.5
130.07823	1.4
131.08536	2.8
133.10161	3.5
135.11716	1.9
145.10129	2.4
147.11653	2.1
159.11794	1.6
217.13261	1.4
259.20773	1.9
335.25894	3.0
611.46619	6.2
669.41870	11.0
773.44373	100.0
774.44733	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	774.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
55.05508	20.3
57.03437	22.4
57.07072	5.2
57.13795	4.0
67.05502	71.7
69.03423	3.6
69.07059	16.1
70.56295	3.5
70.56644	11.2
71.05019	3.6
79.05486	52.8
80.05866	2.9
81.03417	96.1
81.06603	6.0
81.07053	77.3
83.04961	7.2
83.08605	24.0
86.72868	3.7
91.05476	37.1
93.07042	51.0
95.04966	34.9
95.08602	47.1
97.02910	4.2
97.06494	6.3
97.10152	7.8
98.21444	3.9
101.53255	3.5
105.07032	28.7
107.04942	9.6
107.08582	26.6
108.09435	3.3
109.06520	7.0
109.10146	25.3
111.04385	3.7
111.08073	10.3
117.07023	7.9
119.08577	27.7
121.10138	29.4
123.08064	4.6
123.11706	8.7
125.09685	3.5
129.06995	15.0
131.08589	24.8
133.06468	3.4
133.10104	20.0
135.08096	4.4
135.11687	13.7
137.09532	3.9
142.07709	3.5
145.06512	3.9
145.10112	10.8
147.08029	4.5
147.11671	10.4
149.09627	9.9
149.13249	7.6
157.10141	13.5
159.11711	6.2
161.13197	5.2
173.13300	6.1
175.11224	8.0
175.14731	4.1
187.14819	4.1
189.76166	3.6
193.12227	27.1
227.12746	10.6
235.13106	4.5
243.21176	7.0
249.15038	5.1
261.22137	22.4
267.15909	100.0
301.25232	8.2
309.16937	3.9
317.24588	4.5
335.25781	92.2
435.32755	6.4
453.33340	9.4
471.34521	3.8
527.37280	67.9
545.38409	45.5
546.38336	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	775.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.9
55.05506	0.5
57.03432	1.1
59.04996	5.8
61.02920	0.7
65.03945	1.1
65.17212	0.4
67.05505	3.2
68.02635	0.7
69.03431	5.7
69.41243	4.0
70.06583	0.8
71.01352	3.3
71.04990	1.1
73.02902	0.7
75.04458	0.5
77.03925	1.1
79.01863	0.9
79.05495	9.2
81.03418	5.9
81.07066	1.4
83.01322	0.7
83.04982	1.9
85.02904	5.9
87.04436	0.9
91.05479	6.0
93.07050	5.5
94.04157	0.8
95.01324	0.7
95.04968	31.9
97.02908	4.0
97.06529	0.8
98.20761	0.6
99.04452	1.4
103.03933	1.6
103.05459	6.0
105.03387	1.4
105.04526	1.0
105.07031	0.9
107.04958	41.2
109.02879	70.2
109.06519	6.1
110.03227	0.7
111.04441	4.0
119.04946	3.1
121.06507	12.8
123.00787	1.2
123.04430	13.1
125.02354	7.6
125.06003	0.8
125.16716	0.5
127.03942	5.0
131.04933	5.1
133.02818	1.4
133.06502	0.8
135.04430	3.3
137.05981	2.7
139.03903	36.0
139.07510	0.9
141.05435	1.4
145.04974	1.8
147.04456	2.3
149.05978	22.1
151.03903	60.2
152.04263	0.7
153.05467	2.1
157.04916	0.7
159.04434	3.1
165.05476	100.0
166.05803	1.5
167.03357	0.6
167.07030	11.2
171.06465	0.6
173.05934	0.8
175.03905	1.7
177.05473	60.2
178.05824	1.0
179.07033	0.5
181.04953	1.4
181.08583	1.1
183.06531	2.0
189.07617	0.6
191.07097	3.6
193.04955	7.6
195.06520	10.8
203.06952	0.5
207.06532	2.7
209.08095	55.6
210.08371	0.7
211.06020	7.2
225.07562	18.7
227.09135	1.8
243.08626	5.1
269.06482	0.5
295.07932	0.8
301.09186	1.2
303.08566	0.5
321.09714	2.7
339.10760	5.1
441.10876	0.6
511.14282	0.9
537.16016	1.1
625.66711	0.5
775.28247	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	775.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.4
56.96277	1.6
56.96562	26.4
56.96827	2.4
57.03425	1.3
57.14686	1.2
60.58558	1.2
63.22144	1.1
65.83731	1.2
67.05520	1.8
69.07053	1.3
69.31712	4.8
69.32133	7.2
70.06586	2.3
71.95275	1.6
74.97591	1.4
79.05479	2.5
80.90425	1.2
81.07039	2.9
84.96010	6.0
91.05479	1.8
93.07069	3.7
95.08583	2.1
98.97575	49.3
98.98224	2.4
104.15488	1.3
105.07047	1.8
107.08526	1.3
110.44083	1.5
110.97569	9.6
111.33932	1.3
112.99126	10.4
116.98619	44.9
117.59843	1.2
119.08601	1.7
124.99135	1.6
128.98611	21.2
131.00169	28.3
134.99654	21.5
140.00157	3.0
140.98592	2.3
143.00175	10.9
146.99643	25.8
149.01215	49.2
152.00117	1.7
153.00731	3.1
158.01230	2.7
158.99638	27.6
161.01215	17.8
162.99150	1.7
165.00728	4.1
167.02290	15.1
170.01224	1.7
170.99637	28.8
172.02831	3.7
173.01187	9.9
175.02873	1.4
176.99190	2.8
177.00711	48.7
177.02235	2.6
179.02348	3.5
185.01224	8.3
189.00697	50.3
190.03801	2.5
191.02292	11.3
194.99821	2.6
195.01765	7.5
199.02766	8.0
200.02313	3.4
201.00720	11.7
203.02319	11.9
207.01720	6.1
209.01205	2.3
212.02322	5.1
213.00804	7.2
214.03769	1.5
215.02245	3.5
217.03802	8.2
219.01750	22.7
227.02260	3.2
231.01781	5.8
233.03378	5.5
237.02792	12.2
242.03476	4.0
245.03348	1.6
260.04379	1.6
261.00311	2.4
261.02835	19.3
271.47513	1.3
275.04388	8.9
277.78534	1.3
279.03882	22.3
291.03738	4.4
293.05438	43.7
297.04901	10.2
302.05426	4.5
305.05240	1.4
309.04819	8.6
311.06482	18.4
316.06992	4.6
317.17844	24.0
321.04919	100.0
322.05511	1.4
334.08041	3.9
335.18918	11.1
339.05917	12.3
358.20297	2.4
362.03293	1.4
362.07596	7.7
381.07095	6.5
399.08072	2.7
425.05014	1.4
437.09641	28.2
453.09406	1.5
455.10745	52.2
539.25226	8.3
553.26764	14.2
571.28046	1.7
610.64441	1.4
628.06659	1.5
715.32001	45.7
716.32062	2.1
775.38422	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	776.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.05508	0.9
57.03432	0.9
59.04996	7.2
67.05499	2.3
67.50872	0.6
69.03437	3.4
70.06599	1.2
70.95933	1.1
71.01347	2.8
71.05002	1.3
72.08151	0.8
73.02919	0.6
74.15411	0.5
77.03925	1.2
77.97677	0.6
79.01861	0.7
79.05493	14.8
81.03423	7.4
81.07060	1.5
83.04984	1.7
84.08122	0.6
85.02895	3.8
86.09707	0.7
86.61269	0.5
87.04487	0.5
91.05482	6.0
93.07042	6.1
94.04209	0.6
95.01338	0.8
95.04967	20.2
95.08616	1.1
97.02876	4.0
97.06547	1.0
99.04451	1.5
103.03966	1.8
103.05469	8.2
105.03385	1.4
105.04461	0.8
105.07030	1.3
107.04956	88.7
108.05295	0.7
109.02879	66.7
109.06522	4.5
111.04437	3.7
113.95834	0.5
119.04964	0.9
121.05686	1.1
121.06501	12.8
123.04441	5.6
125.02367	5.8
125.06002	1.0
127.03945	3.8
131.04936	5.9
133.02885	2.0
135.04422	4.9
137.05977	3.1
139.03905	41.4
139.07544	2.3
141.05469	1.6
145.04935	1.8
149.05981	24.5
151.03902	18.7
153.05447	2.8
159.04448	4.2
159.05597	0.8
165.05478	86.4
166.05809	1.7
167.07033	21.5
167.08455	1.2
175.03880	0.8
177.05469	64.7
178.05750	1.0
181.04979	0.7
181.08620	2.4
183.06474	1.0
191.07063	4.1
195.06546	13.1
199.48489	0.6
208.08315	0.6
209.08093	100.0
210.08453	2.4
227.09119	23.8
228.93063	0.6
259.09177	0.6
259.45728	0.5
269.10184	0.8
295.08011	1.2
303.08353	0.7
320.29056	0.7
321.09717	1.8
323.90866	0.5
339.10776	5.3
353.12064	0.8
371.13217	2.3
447.25903	0.7
579.20679	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	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.6
55.05515	44.3
57.03439	16.3
57.07083	3.2
59.05017	2.9
61.02928	3.6
65.03945	3.1
67.05505	100.0
69.03426	4.4
69.07071	14.6
69.30947	12.9
69.31374	1.8
71.05004	3.9
73.02887	1.7
79.05498	42.2
81.03421	8.1
81.07056	63.0
83.04994	6.1
83.08619	18.4
85.02901	19.3
85.06546	4.3
87.04463	7.2
91.05473	26.8
92.61406	1.7
93.06496	3.2
93.07043	39.8
95.04972	7.7
95.08610	48.9
97.02895	4.1
97.06529	5.2
97.10169	20.6
98.20816	3.4
103.03936	1.7
105.07036	17.9
107.04958	2.7
107.08593	29.7
109.10156	58.9
111.04453	1.8
111.08086	4.2
117.06987	8.4
117.42581	1.5
119.08583	16.1
121.06542	1.5
121.10142	18.9
123.08070	4.5
123.11681	4.7
125.09658	20.7
129.07034	2.6
131.08578	11.0
133.10135	9.6
135.08038	1.7
135.11685	13.7
137.09641	4.0
139.11218	2.8
141.39740	1.4
143.10677	3.3
145.10143	8.9
147.11702	7.3
149.13225	4.5
153.12753	2.2
155.08710	2.1
155.10594	2.5
157.10136	2.4
159.11745	6.3
161.13261	6.6
163.11165	4.6
163.14874	3.3
173.11754	19.2
173.13248	5.1
187.14906	2.8
189.11346	2.0
193.12280	2.1
199.13293	11.9
209.11627	2.8
217.14380	3.1
227.12758	8.1
229.14349	51.0
243.21112	4.0
244.96906	1.9
245.13924	3.9
259.20651	2.0
261.22144	14.7
264.66711	1.6
267.15906	5.9
299.23706	2.1
301.16449	15.7
317.24872	3.3
335.25797	78.4
336.26175	3.6
363.25095	3.1
459.35089	2.6
477.36215	8.2
489.35825	17.4
543.36743	3.0
561.37909	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	777.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
55.05520	3.7
56.96551	1.1
57.03448	1.8
61.02936	3.6
67.05515	5.3
69.03432	3.0
69.07082	2.1
71.04982	1.2
71.50080	1.3
73.02921	3.5
76.38236	0.7
79.05484	4.2
81.03415	3.4
81.07066	4.0
83.04979	1.6
83.08631	1.4
85.02901	5.3
91.03946	1.7
91.05496	3.4
93.07048	3.6
95.04972	2.0
95.08646	2.8
97.02880	3.9
97.06544	1.1
97.10198	1.2
99.04471	1.5
101.02383	1.3
105.07072	2.0
107.04951	0.9
107.08621	3.0
109.02859	0.8
109.06470	1.0
109.10167	1.8
112.03884	0.8
119.08601	1.9
121.10141	1.1
125.09681	1.2
127.03886	0.9
127.65543	0.7
131.08659	1.0
133.10149	0.9
135.11674	1.0
145.10176	1.7
157.10185	0.9
157.42444	0.8
163.03726	0.8
163.11226	1.2
185.04227	1.1
243.08527	2.6
259.09741	1.3
333.20541	1.2
351.18478	1.5
368.05038	0.8
369.19611	1.6
410.36139	0.9
467.19003	7.5
469.20752	3.1
549.27020	1.0
551.28436	3.6
701.20422	0.8
777.40289	100.0
778.40430	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	779.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
58.20186	0.6
61.02923	1.3
63.33599	0.6
64.20269	0.6
69.03421	2.9
69.64548	3.6
69.64962	1.0
70.06599	1.2
71.05000	0.7
79.05482	2.0
79.79088	0.7
81.03410	2.6
85.02900	6.1
87.04450	1.2
91.05477	4.7
93.07011	1.1
95.04970	1.0
97.02890	3.8
99.04438	0.9
103.05459	1.4
105.03403	2.8
105.07018	1.6
107.04946	2.9
109.02882	1.6
115.05452	1.5
117.07031	2.6
119.04893	1.8
119.08554	1.7
120.04490	3.2
121.02863	0.8
121.06544	0.8
123.04428	0.8
127.03918	1.5
128.06287	1.2
129.04489	15.1
129.07013	5.1
130.02914	5.4
130.03827	0.9
131.04930	1.6
131.08589	5.7
132.04410	1.1
133.06482	1.3
135.04314	0.6
139.03902	1.6
141.06976	1.6
145.06491	1.9
147.05528	81.2
148.05859	1.6
149.02393	0.7
149.05920	0.8
151.03935	1.1
152.05713	3.9
153.01997	0.6
157.06522	3.9
159.04420	2.4
159.05536	29.9
159.07924	3.9
160.06114	0.7
161.02328	2.5
161.05969	1.7
163.03929	1.5
163.07684	0.7
165.05476	1.8
169.06552	1.4
173.06032	0.8
175.07545	2.7
177.06610	21.2
177.08955	1.0
185.05965	4.1
187.05034	25.9
187.07507	3.6
188.05377	1.0
189.05473	0.8
191.06961	0.9
194.55225	0.6
203.07045	5.7
205.08569	0.9
213.05508	2.5
215.07060	1.6
217.08646	1.7
229.06271	1.2
231.06581	2.5
233.37482	0.7
239.08168	1.1
245.08221	0.8
259.06018	1.0
263.08960	2.2
265.09711	9.5
267.07541	0.8
281.09262	0.7
291.08121	1.5
303.11536	0.8
309.08795	2.6
321.12396	0.9
331.10846	1.4
333.12350	1.1
349.11749	3.8
359.10217	1.6
361.11710	3.5
377.11383	6.6
379.12723	4.0
387.09650	1.2
391.12860	2.6
395.12671	1.0
405.10837	15.7
409.13956	1.4
419.12357	3.7
423.11865	100.0
424.12286	3.7
437.13464	53.0
438.13675	1.9
454.22629	0.9
455.14511	25.5
455.23685	1.1
456.14828	1.6
567.15955	1.8
585.17133	9.4
599.18512	4.5
617.19824	22.6
618.20032	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	781.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
55.60880	0.2
56.96578	0.2
57.03428	0.3
67.05499	0.6
69.03439	1.6
70.06600	1.4
71.01361	0.4
71.04997	0.3
71.49187	0.4
72.08145	0.5
79.05491	2.1
81.03403	2.0
81.07049	0.3
83.05003	0.4
84.08140	1.5
85.02907	1.1
86.09700	0.7
91.05474	1.4
93.07053	0.8
95.04964	1.4
96.92707	0.2
97.02859	0.7
99.04474	0.3
103.05457	0.7
105.07059	0.5
107.04958	5.6
107.05654	0.4
109.02873	1.6
109.06529	0.4
119.04971	0.5
119.08380	0.2
120.08121	0.4
121.06490	1.2
123.04411	0.4
124.01334	0.7
125.02393	0.3
127.03925	0.9
129.10248	0.4
131.04921	0.4
133.10078	0.4
135.04411	1.0
136.07570	0.5
137.02124	0.3
137.05975	0.4
139.03914	2.7
147.04417	1.1
147.05481	0.3
149.05965	1.5
151.03786	1.0
153.05437	0.4
159.04407	0.3
161.02119	1.0
161.05916	0.3
163.03767	0.3
165.05473	5.3
166.05856	0.5
167.07031	4.9
169.04788	0.5
173.02121	1.3
175.99063	0.3
177.05460	1.4
179.03142	3.8
181.04716	1.6
195.06453	0.4
197.04236	0.6
205.04732	0.4
209.08127	1.5
217.04768	0.6
227.09219	0.4
231.06265	1.2
233.07614	0.3
245.86092	0.2
249.07332	5.1
255.08501	0.8
265.06961	0.5
277.06900	0.8
279.08472	0.3
281.09961	1.1
291.08395	0.2
307.07898	0.5
323.07458	2.9
325.08890	0.4
341.08597	0.7
361.09088	0.9
377.08023	0.2
377.12076	1.3
393.11539	21.7
394.12018	0.5
398.93762	0.3
411.12683	1.0
421.11166	0.3
431.13281	1.8
435.12296	0.3
437.14148	1.4
445.14624	0.5
463.15726	7.1
464.16336	0.3
539.17694	0.4
549.15771	24.6
550.15924	0.7
555.17035	0.9
587.17590	1.3
599.45801	0.3
601.18732	0.5
619.19934	8.2
620.19574	0.3
625.20984	6.3
626.21759	0.3
763.34509	0.4
781.25153	100.0
782.25323	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	784.533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.5
62.25324	0.2
63.18444	0.2
69.07054	0.5
69.75572	1.3
71.08614	1.2
79.05486	0.3
81.03429	0.2
81.07056	0.5
82.06596	0.2
86.09706	100.0
87.10045	0.7
91.05475	0.6
93.07045	0.4
94.21713	0.2
98.09711	1.5
99.05562	0.3
103.05483	1.0
105.07016	1.4
112.11246	6.6
117.07120	0.3
120.08103	42.0
121.08490	0.5
132.08113	0.5
141.03012	0.2
146.09657	2.4
146.23038	0.2
152.64394	0.2
154.15909	19.2
157.13364	11.1
159.35089	0.2
161.35327	0.2
165.10197	0.2
167.11853	0.3
185.12856	13.8
185.55650	0.2
188.14339	6.1
188.15930	0.4
191.11862	0.5
195.11386	0.3
199.18056	15.9
203.83998	0.2
209.16606	0.7
219.11337	1.0
225.19592	7.1
225.21725	0.5
227.17531	13.9
228.17975	0.3
233.16484	15.7
235.18243	0.4
243.14871	0.5
253.19125	7.3
259.18085	2.3
261.15994	13.3
262.16229	0.4
267.24313	6.7
271.14368	0.3
277.22684	0.4
280.20364	0.5
287.17557	2.8
295.23822	4.3
298.21243	8.3
301.22720	6.5
311.21338	0.4
314.18716	0.3
322.24780	0.3
329.22183	4.7
329.25760	0.3
332.19693	6.6
340.25964	3.2
350.24658	0.2
356.23535	0.6
366.27475	2.2
374.24368	5.0
374.28906	0.4
383.30200	2.0
400.25974	3.3
402.24170	0.3
408.32346	1.0
411.29691	5.1
417.28629	1.6
425.34778	0.4
442.30624	1.7
445.28152	5.6
451.36697	0.3
453.34320	1.1
455.26352	0.4
459.33124	1.6
473.27780	0.4
479.35950	2.5
485.35245	0.5
487.32822	3.1
496.38516	1.5
513.34357	4.9
515.32385	0.3
524.38043	4.7
527.39642	0.4
530.37183	3.0
551.50696	0.3
555.39014	2.0
558.36499	11.3
558.45349	0.5
559.37292	0.4
568.35107	0.5
572.41882	0.6
586.36011	0.6
592.44061	2.0
598.43182	0.4
600.41174	1.8
609.47131	0.7
626.42712	7.2
635.89935	0.2
637.46283	1.9
643.35059	0.2
643.45355	5.9
653.43878	1.0
654.43896	0.4
655.45648	0.3
668.47382	1.0
671.44934	17.3
672.45166	0.9
681.43726	0.5
699.44775	0.4
711.52368	0.4
713.49646	0.7
739.51215	3.2
756.53741	7.1
757.52814	0.2
766.52393	2.3
784.53235	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	792.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	2.1
57.03410	2.0
61.02903	2.7
65.03926	0.7
67.05515	1.6
68.05010	0.9
69.03432	10.7
70.10172	0.8
70.10508	2.5
71.01350	3.8
71.04977	1.0
71.13641	0.6
73.02895	2.1
74.45916	0.7
77.03905	1.1
79.05498	6.2
80.05002	1.2
81.03412	5.1
81.07047	1.5
83.01321	1.8
83.04965	1.8
85.02908	15.4
87.04438	1.7
91.03938	0.8
91.05483	6.2
93.07027	2.8
94.06558	5.0
95.04407	1.2
95.04975	18.6
96.04440	0.9
96.08122	0.9
96.08741	0.6
97.02894	9.4
98.20771	0.8
99.04442	1.2
103.03923	1.2
103.04817	1.1
103.05463	15.0
105.03392	1.5
105.07000	1.2
106.05877	1.2
106.06554	18.3
107.04952	4.9
108.08134	1.2
109.02875	3.1
109.06501	2.0
110.06059	0.9
111.04441	3.1
115.03917	0.8
119.04949	7.9
120.08101	2.3
121.06512	8.7
122.06030	1.1
123.00803	1.3
123.04424	7.6
124.03944	1.8
124.07574	5.9
125.02352	1.3
127.03905	2.7
129.03339	1.2
130.06522	3.0
131.04922	8.2
131.07327	0.8
132.04424	1.6
132.08081	1.1
133.02808	1.3
133.06482	0.9
135.04362	1.3
137.05972	2.8
138.05489	1.1
139.03903	34.2
140.04279	0.8
145.02814	1.3
145.04990	1.3
146.05943	2.1
147.04407	9.9
148.07570	9.3
149.02286	1.0
149.05983	10.0
150.05489	0.8
151.03900	7.9
158.06055	1.3
159.04431	15.9
161.05943	1.3
163.07564	0.8
164.07054	0.9
165.05479	100.0
166.05832	1.7
166.08618	1.4
167.07047	2.9
174.05498	1.9
175.03893	6.7
176.07072	19.0
177.05482	14.4
178.08679	0.9
179.07028	7.3
180.10112	1.0
181.04973	2.3
186.05557	0.7
189.03758	1.0
189.05467	17.8
189.07106	1.2
190.08644	0.9
191.07031	57.7
192.06604	1.1
193.04967	6.1
194.08125	12.3
194.09782	0.5
195.06520	1.9
206.08080	1.1
207.06519	8.1
208.09685	32.1
209.08075	4.2
212.09184	1.7
226.10732	30.0
227.09131	1.3
236.09166	1.0
244.11778	7.7
254.10275	1.2
268.11942	0.9
286.13031	0.7
296.11301	1.0
304.82343	0.6
338.12546	0.8
348.14703	0.7
352.14267	0.8
370.15088	2.1
388.16187	2.7
400.13763	0.8
406.17001	3.0
418.14951	5.7
432.16641	2.3
436.15604	3.2
450.17609	49.8
451.17975	1.4
458.16864	0.6
468.18674	19.0
510.18854	0.7
534.53650	0.7
567.09564	0.8
580.20184	1.9
594.21576	2.3
598.21545	2.7
612.22870	26.8
613.23529	1.1
630.23907	34.8
631.24445	1.0
760.25757	0.8
774.29065	0.8
792.29205	37.7
793.29120	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	792.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	25.6
57.03438	19.2
57.07074	3.2
57.23590	2.4
61.02920	4.5
65.03941	5.7
67.05507	92.6
69.07074	21.3
71.04971	2.9
71.39115	5.2
79.05496	53.0
79.05936	4.6
81.07056	100.0
82.76482	2.9
83.04972	3.5
83.08633	9.3
87.66927	2.5
91.05490	30.6
93.07047	71.3
95.04972	7.1
95.08611	71.2
97.02905	3.9
97.10184	4.7
105.07050	25.1
107.08592	35.8
109.06486	2.8
109.10169	34.5
109.83284	2.7
117.07007	8.5
119.08604	18.0
121.10143	23.9
123.11735	7.7
123.95815	2.8
130.15935	6.1
131.08592	18.9
133.10146	19.1
135.11732	15.0
137.09622	2.9
137.13222	4.1
145.10086	14.0
145.41612	3.0
147.11703	10.1
149.13301	7.9
159.11726	9.8
161.13274	12.6
163.14825	4.5
173.13260	7.0
175.14908	5.2
187.14819	3.7
195.82692	2.8
241.19554	3.5
243.21121	6.0
259.20636	5.5
261.22122	15.7
317.24774	3.2
333.24252	6.7
335.25818	95.5
335.36603	2.6
337.27356	8.2
341.28384	3.0
355.30350	2.7
595.47113	11.0
613.48126	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	794.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85384	0.4
56.96569	0.7
57.03434	0.8
58.42352	0.4
60.04499	0.5
61.02904	0.6
63.02412	0.5
65.03923	2.4
67.05486	1.9
69.03417	2.1
69.07069	0.7
70.06590	5.1
71.04988	0.9
72.08144	1.1
74.42732	0.5
75.04475	2.2
77.03948	0.6
78.04707	0.9
79.05486	2.7
81.03425	2.6
81.07048	2.0
82.04220	0.4
83.04983	1.1
84.04508	1.2
84.08129	2.2
85.02903	5.6
86.06074	0.6
86.09689	1.7
89.03880	1.0
91.05485	8.3
93.03406	6.5
93.07061	3.4
94.04183	1.2
95.04964	5.8
95.08620	0.7
97.02885	1.9
97.06538	3.2
98.06077	0.6
103.04822	0.9
103.05470	13.0
105.07018	2.6
106.04180	10.5
107.04970	6.0
107.08591	1.1
109.02864	1.6
109.06540	1.1
111.04429	1.6
115.05458	2.3
117.03362	0.9
117.07032	2.0
118.04142	2.2
119.04927	2.0
120.08078	1.1
121.06512	13.9
122.03638	2.1
123.04419	1.3
123.08047	0.6
125.06000	4.5
127.03952	0.9
128.06213	0.8
129.07005	0.9
129.10245	0.9
131.04932	18.3
131.08545	0.5
132.05711	0.9
133.02881	1.0
133.06500	3.0
133.10126	0.8
134.03615	1.4
135.04405	1.6
135.08018	1.3
136.07545	0.7
137.05977	41.4
139.03960	1.0
139.07545	1.2
141.05473	1.4
143.04921	0.9
145.02840	1.4
145.04945	0.7
145.06487	2.7
146.03616	0.7
147.04391	1.8
147.07993	0.7
148.05176	5.8
149.05984	24.1
149.09567	0.8
151.03909	42.8
151.04988	2.4
151.07513	2.6
151.93675	0.5
152.04425	0.7
153.05467	2.0
153.09113	6.5
153.10263	0.9
154.50081	0.5
155.07083	0.5
157.06427	0.8
159.04391	0.9
160.05173	0.9
161.05983	2.7
162.07690	0.8
163.03877	2.9
163.07536	14.6
165.05518	4.3
166.06281	0.7
167.07047	9.2
167.08437	0.7
171.04346	0.7
173.05989	2.8
174.06802	0.7
175.07539	4.2
176.04704	2.2
177.05472	18.5
177.09105	0.9
178.06047	0.6
179.07086	1.3
180.08696	0.9
181.04985	12.7
181.08582	15.3
187.07513	2.0
189.05507	0.7
189.09120	1.8
190.06206	0.6
191.07033	55.6
192.07538	1.1
193.04903	0.8
193.08606	2.9
195.06531	1.8
199.07494	1.0
201.05354	0.6
203.07028	2.1
205.06696	0.7
205.08575	2.1
207.06483	0.6
209.08089	100.0
210.08470	1.5
215.07037	0.8
219.08133	0.5
219.10167	1.6
221.08040	1.1
227.07130	0.7
227.09181	1.0
231.06622	0.6
233.08041	2.1
234.06706	0.6
235.07649	1.2
235.09656	1.9
237.09030	1.4
239.10747	0.7
245.08046	1.0
249.08932	0.8
259.09668	1.7
263.06616	0.9
263.09158	11.4
265.08517	1.2
267.10019	0.8
277.08612	0.9
283.09808	0.5
293.08145	0.7
294.08807	0.7
295.09827	0.7
297.11102	0.9
307.09662	0.7
313.90952	0.5
314.11539	0.6
325.10510	0.8
327.12183	1.7
329.13834	1.3
337.10550	0.9
339.12143	0.8
351.12241	1.0
355.11780	3.6
357.13315	1.3
359.14719	1.0
369.13181	1.8
387.14398	25.0
417.15280	1.8
547.19354	0.7
567.22101	0.6
579.22534	1.0
632.23431	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	794.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85384	0.4
56.96569	0.7
57.03434	0.8
58.42352	0.4
60.04499	0.5
61.02904	0.6
63.02412	0.5
65.03923	2.4
67.05486	1.9
69.03417	2.1
69.07069	0.7
70.06590	5.1
71.04988	0.9
72.08144	1.1
74.42732	0.5
75.04475	2.2
77.03948	0.6
78.04707	0.9
79.05486	2.7
81.03425	2.6
81.07048	2.0
82.04220	0.4
83.04983	1.1
84.04508	1.2
84.08129	2.2
85.02903	5.6
86.06074	0.6
86.09689	1.7
89.03880	1.0
91.05485	8.3
93.03406	6.5
93.07061	3.4
94.04183	1.2
95.04964	5.8
95.08620	0.7
97.02885	1.9
97.06538	3.2
98.06077	0.6
103.04822	0.9
103.05470	13.0
105.07018	2.6
106.04180	10.5
107.04970	6.0
107.08591	1.1
109.02864	1.6
109.06540	1.1
111.04429	1.6
115.05458	2.3
117.03362	0.9
117.07032	2.0
118.04142	2.2
119.04927	2.0
120.08078	1.1
121.06512	13.9
122.03638	2.1
123.04419	1.3
123.08047	0.6
125.06000	4.5
127.03952	0.9
128.06213	0.8
129.07005	0.9
129.10245	0.9
131.04932	18.3
131.08545	0.5
132.05711	0.9
133.02881	1.0
133.06500	3.0
133.10126	0.8
134.03615	1.4
135.04405	1.6
135.08018	1.3
136.07545	0.7
137.05977	41.4
139.03960	1.0
139.07545	1.2
141.05473	1.4
143.04921	0.9
145.02840	1.4
145.04945	0.7
145.06487	2.7
146.03616	0.7
147.04391	1.8
147.07993	0.7
148.05176	5.8
149.05984	24.1
149.09567	0.8
151.03909	42.8
151.04988	2.4
151.07513	2.6
151.93675	0.5
152.04425	0.7
153.05467	2.0
153.09113	6.5
153.10263	0.9
154.50081	0.5
155.07083	0.5
157.06427	0.8
159.04391	0.9
160.05173	0.9
161.05983	2.7
162.07690	0.8
163.03877	2.9
163.07536	14.6
165.05518	4.3
166.06281	0.7
167.07047	9.2
167.08437	0.7
171.04346	0.7
173.05989	2.8
174.06802	0.7
175.07539	4.2
176.04704	2.2
177.05472	18.5
177.09105	0.9
178.06047	0.6
179.07086	1.3
180.08696	0.9
181.04985	12.7
181.08582	15.3
187.07513	2.0
189.05507	0.7
189.09120	1.8
190.06206	0.6
191.07033	55.6
192.07538	1.1
193.04903	0.8
193.08606	2.9
195.06531	1.8
199.07494	1.0
201.05354	0.6
203.07028	2.1
205.06696	0.7
205.08575	2.1
207.06483	0.6
209.08089	100.0
210.08470	1.5
215.07037	0.8
219.08133	0.5
219.10167	1.6
221.08040	1.1
227.07130	0.7
227.09181	1.0
231.06622	0.6
233.08041	2.1
234.06706	0.6
235.07649	1.2
235.09656	1.9
237.09030	1.4
239.10747	0.7
245.08046	1.0
249.08932	0.8
259.09668	1.7
263.06616	0.9
263.09158	11.4
265.08517	1.2
267.10019	0.8
277.08612	0.9
283.09808	0.5
293.08145	0.7
294.08807	0.7
295.09827	0.7
297.11102	0.9
307.09662	0.7
313.90952	0.5
314.11539	0.6
325.10510	0.8
327.12183	1.7
329.13834	1.3
337.10550	0.9
339.12143	0.8
351.12241	1.0
355.11780	3.6
357.13315	1.3
359.14719	1.0
369.13181	1.8
387.14398	25.0
417.15280	1.8
547.19354	0.7
567.22101	0.6
579.22534	1.0
632.23431	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	794.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
57.03428	2.2
57.07087	0.7
59.05003	1.8
61.02929	1.1
65.03944	2.4
67.05507	39.8
68.02637	0.9
69.03431	6.6
69.07076	3.1
70.06600	2.5
71.05006	4.3
71.08633	4.6
71.49372	0.7
73.02905	0.7
73.06538	0.5
78.43192	0.5
78.65224	0.5
79.01860	0.9
79.05496	6.6
81.03422	3.5
81.07052	7.0
83.04987	3.7
83.08624	3.6
84.04503	0.6
84.08150	1.8
85.02906	5.3
85.06544	1.7
86.09720	1.3
87.04460	1.1
90.87688	0.6
91.05482	6.9
93.07049	7.7
95.04967	3.2
95.08612	27.2
96.04504	0.5
97.02903	3.3
97.06549	2.8
97.10186	3.6
98.06057	4.2
99.04479	1.0
99.08105	3.8
103.05466	0.9
105.07034	2.1
107.04951	6.0
107.08605	4.6
109.02856	2.6
109.06525	1.2
109.10157	40.5
110.10484	0.6
111.04463	5.1
111.08115	1.9
112.07612	6.9
113.06009	1.4
115.05471	0.8
117.07009	0.8
118.06571	0.8
119.08585	4.6
120.08141	1.3
121.06542	1.6
121.08963	0.5
121.10148	0.7
123.04443	1.1
123.08073	0.9
125.09637	3.1
127.03957	0.6
129.07076	0.7
130.06601	0.6
131.08578	1.1
132.08130	1.1
133.06537	0.7
133.10141	0.8
135.04419	4.5
135.08086	1.4
135.11722	0.6
136.06145	0.6
136.07622	1.1
137.05991	1.0
137.08626	0.9
137.09592	5.1
139.03906	62.9
140.04272	0.6
143.08603	0.5
145.02872	1.4
145.10092	0.5
147.11703	1.4
148.07527	2.5
149.06001	1.7
149.08380	3.2
149.09642	1.5
150.09134	5.2
151.07513	0.5
151.11220	2.1
155.10675	10.2
157.10112	0.6
158.09608	1.2
160.07645	0.6
161.06075	0.7
161.08401	1.5
161.09639	0.6
162.07893	0.5
162.09195	1.8
163.03894	3.9
165.05515	2.7
165.09113	1.8
167.07095	1.4
168.08127	5.5
170.09622	0.7
172.07686	1.0
172.11234	0.6
173.11745	20.6
173.13206	1.1
174.09109	0.9
175.09900	0.8
175.11203	1.0
176.10689	3.1
177.05463	4.4
178.08675	0.8
182.09662	1.1
184.07666	1.4
185.08356	0.8
186.09142	26.3
188.10794	1.4
189.05507	1.5
189.11235	1.2
190.08644	1.6
191.07066	0.7
193.12302	1.1
194.09740	0.6
198.09052	2.4
200.10707	4.6
202.08618	3.5
204.10210	2.9
209.08156	1.8
210.09198	2.1
212.07161	2.2
212.10703	2.9
214.08646	0.6
223.09886	0.6
224.10643	0.6
226.08704	1.4
226.12276	1.0
227.09218	0.5
228.10208	11.9
228.13779	0.5
229.10817	0.6
230.08096	1.1
236.10829	0.5
238.08617	5.0
239.09509	0.8
240.10272	2.6
244.09775	1.6
246.11159	0.7
252.10249	0.9
252.75813	0.5
254.08080	0.5
254.11688	0.7
256.09686	14.2
259.09641	1.0
260.12949	0.6
263.20178	1.1
268.09711	4.4
270.11295	1.3
273.18661	1.1
274.10733	6.6
282.11292	1.2
286.18179	0.7
288.12314	9.6
288.15305	0.9
291.19562	3.7
300.12396	1.7
306.13361	35.5
307.13763	1.2
309.20703	1.6
310.18362	0.7
314.10355	0.6
314.13879	1.4
318.13422	1.2
320.16458	0.7
338.17667	1.4
348.21613	2.6
358.13116	1.0
366.17053	2.2
398.19690	1.2
416.20822	2.1
439.27072	0.7
468.18677	58.4
469.19125	1.4
510.83255	0.7
520.18060	0.8
560.30005	1.1
578.32117	7.5
596.31940	3.1
604.27466	0.6
614.33417	2.5
632.34229	11.9
633.34784	0.6
758.37341	2.3
776.38220	3.4
794.39575	100.0
795.40051	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	794.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.8
57.03426	2.0
57.07069	0.6
59.05008	1.2
61.02918	0.8
61.70464	0.5
65.00260	0.5
65.03949	1.2
67.05502	33.9
68.02641	1.0
69.03423	6.2
69.07067	2.8
69.54375	3.8
69.60822	0.4
70.06583	3.4
71.01360	0.6
71.04990	3.8
71.08636	4.0
73.02924	1.2
74.06086	0.5
79.05493	6.1
81.03427	3.4
81.07050	8.4
82.24078	0.6
83.04971	3.9
83.08603	3.9
84.04480	0.8
84.08138	2.3
85.02904	4.9
85.06528	0.9
86.09686	1.3
87.04461	0.6
87.65556	0.5
91.05470	5.3
93.07040	7.6
95.04958	2.8
95.08601	26.8
97.02883	3.2
97.06520	2.5
97.10171	3.4
98.06067	3.2
98.06668	0.7
99.04451	1.5
99.08077	2.9
105.07030	2.2
107.04942	5.2
107.08593	3.3
109.02863	2.8
109.06530	1.0
109.10150	35.1
110.10474	0.7
111.04439	4.5
111.08086	1.5
112.07602	5.6
113.06017	0.8
115.05474	0.7
117.07076	0.9
118.06558	1.0
118.93273	0.5
119.04894	0.7
119.08569	4.6
120.08093	1.5
121.06504	1.3
121.10155	1.1
122.09705	0.7
123.08057	1.3
124.07642	0.6
125.09621	2.8
127.03900	1.0
127.11185	0.6
129.07076	0.8
129.10246	1.2
130.06500	1.0
131.04890	0.5
131.08560	1.1
132.08105	1.0
133.10130	1.1
134.06073	0.6
135.04393	3.9
135.08072	0.8
136.07568	1.5
137.05995	0.7
137.09607	5.1
139.03894	55.9
144.08051	0.7
145.02847	0.8
145.10185	0.8
146.06027	0.6
147.11658	1.4
148.07585	1.8
149.06023	1.2
149.08383	2.9
149.09578	1.2
150.09090	3.5
151.03931	0.6
151.07610	0.6
151.11182	1.3
155.10634	8.2
155.11771	0.7
157.10088	0.6
158.09691	1.6
160.07610	0.5
161.08371	1.9
161.09599	0.6
162.09166	1.9
163.02773	0.5
163.03926	3.3
165.05492	2.3
165.09155	1.6
165.12798	0.8
167.07132	1.7
168.08109	5.0
170.09691	0.9
171.08023	0.5
172.07675	0.5
172.11205	0.9
173.05942	0.5
173.11732	18.6
173.13214	1.0
174.09196	0.9
176.10709	2.8
177.05412	3.2
178.08675	0.8
182.09706	0.9
184.07599	1.4
185.08490	0.7
186.09125	23.2
187.09685	0.9
188.10753	1.4
189.05591	0.9
189.11342	0.8
190.08614	0.9
191.07108	0.6
193.12332	1.4
198.09190	1.7
199.09805	0.9
200.06979	0.6
200.10721	3.9
202.08603	2.4
204.10265	2.8
209.08150	1.4
210.09152	1.8
211.09898	0.6
212.07121	1.9
212.10748	2.2
214.08617	0.7
216.10287	1.1
218.11795	0.9
226.08716	1.4
226.12486	0.6
228.10165	9.9
230.08121	0.7
236.10747	0.6
238.08635	2.6
240.10271	2.1
244.09723	1.5
245.19092	0.9
246.11215	1.2
254.11867	0.9
256.09671	11.6
259.09604	1.0
260.12860	0.5
263.20111	1.1
264.10263	0.6
267.09097	0.7
268.09637	3.6
270.11346	1.0
272.09280	0.6
273.18546	1.6
274.10703	5.5
278.13947	0.7
282.11313	1.4
288.12283	9.6
291.19498	4.2
300.12393	1.7
306.13330	32.3
309.20551	0.8
314.13925	0.7
318.13416	1.0
320.12943	0.6
338.17569	1.2
348.21890	1.4
358.12820	0.7
366.17072	2.0
396.21786	0.7
398.19522	1.1
416.20908	1.8
421.25763	0.5
436.21274	0.6
439.27252	1.1
468.18634	53.9
469.19315	0.8
520.18274	1.0
560.30450	1.3
578.32013	6.5
596.32037	2.6
614.32874	2.5
632.34326	11.9
701.98199	0.6
758.36151	1.1
776.39111	2.7
794.39532	100.0
795.39734	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	797.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.6
61.02925	5.4
63.22816	1.0
67.05500	4.8
67.26389	0.9
67.63863	0.9
69.03440	3.2
69.07058	1.4
69.17190	10.0
73.02911	3.5
73.95240	0.9
78.26624	1.0
79.05502	3.5
81.03432	1.9
81.07054	5.6
84.15902	0.9
85.02919	5.7
91.03973	3.8
91.05468	2.3
93.07059	3.9
95.08615	3.5
97.02911	2.7
101.02387	2.3
107.08620	2.2
109.10148	1.9
120.21822	1.1
121.10101	1.2
127.03946	1.4
135.11728	1.4
135.46687	1.0
201.61414	1.0
209.92903	1.0
364.75571	1.1
393.49207	1.0
458.66147	1.0
519.29333	15.3
797.51721	100.0
798.51935	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	804.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	16.9
57.07074	2.3
59.04998	4.9
61.02920	5.0
65.03932	2.2
67.05502	64.4
69.03422	3.8
69.07072	9.3
71.01346	3.5
71.04986	5.6
71.49930	1.4
73.02914	3.5
79.05491	26.8
80.36591	0.8
81.03416	18.4
81.07053	34.2
83.01330	8.9
83.04980	16.7
83.08617	18.3
85.02908	15.6
85.06538	2.8
86.07465	0.9
87.04456	3.5
91.03953	2.5
91.05481	19.3
93.07042	31.4
95.04964	11.6
95.08602	15.1
97.02909	7.5
97.06531	8.1
97.10167	13.6
99.04465	2.9
99.08083	1.1
103.05441	1.1
104.14324	1.1
105.07014	13.0
106.06580	0.9
107.04948	8.7
107.08590	19.8
107.09306	1.0
109.06509	9.4
109.10157	46.5
111.04423	3.4
111.08064	4.5
116.06207	1.0
117.07002	8.8
119.08588	14.7
121.06499	3.2
121.10130	12.2
123.04400	1.3
123.08077	9.7
125.05988	1.6
125.09635	12.8
129.05498	2.6
129.07022	2.8
130.07816	1.3
131.08577	5.2
133.10135	3.2
135.08058	3.3
135.11693	15.2
137.09615	4.8
143.10645	2.7
145.06445	1.6
145.10120	18.1
147.11670	1.3
149.09605	1.2
153.12730	6.5
155.08571	1.6
155.10608	2.1
163.11177	31.5
173.09607	4.9
173.11734	16.3
181.12257	6.8
191.10680	5.0
193.12247	1.9
199.13292	5.9
209.11731	16.3
227.12766	14.5
229.14334	47.7
257.13791	1.8
265.14334	1.1
267.15939	1.7
283.15390	100.0
301.16409	13.5
311.14847	1.1
399.23734	11.8
407.24179	2.0
425.25385	6.6
437.25357	36.2
475.26685	1.3
491.26260	2.9
493.44339	1.2
509.27405	9.4
527.28387	2.2
607.34796	26.4
744.84033	1.0
775.69659	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	805.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.7
57.03424	0.8
65.03941	0.8
67.05493	2.3
69.03421	3.6
69.07058	1.4
70.06590	11.4
70.63042	1.4
71.06915	0.7
79.05487	2.4
80.05025	1.1
81.03401	1.6
81.07042	1.1
82.06564	0.8
83.04984	0.7
84.08141	3.6
85.02905	3.6
85.05347	0.6
86.09692	2.6
91.05486	1.8
93.07037	2.3
94.06577	4.5
95.04958	1.2
95.07349	0.8
95.08605	0.9
96.08119	5.0
97.02900	2.2
97.06532	2.9
105.07043	0.7
106.06547	1.2
107.04948	1.7
107.07316	0.6
108.04485	2.3
108.08113	6.7
109.02856	1.2
109.06483	0.7
110.07165	2.4
110.09679	6.0
111.04465	0.6
116.05030	1.2
117.05716	0.7
119.08588	0.7
120.04440	2.9
120.08092	6.4
121.06448	0.8
122.06016	5.6
122.09663	1.2
124.07576	6.0
125.06015	0.6
127.03877	0.9
127.08662	1.4
129.10202	3.1
130.06508	0.9
132.04478	0.8
134.06015	2.4
135.04443	0.6
136.07576	10.1
137.05980	0.7
138.05486	0.6
138.09146	7.9
139.03897	0.8
144.04399	3.5
146.06012	4.1
147.04475	0.7
148.07541	3.5
150.05592	0.6
150.09148	1.7
152.07059	1.6
155.08185	0.9
160.03952	2.2
162.05493	3.8
163.03940	1.5
164.07103	1.6
165.05508	1.5
166.08636	14.1
167.07118	1.7
172.03926	22.3
173.04390	0.7
174.05481	2.0
176.07121	2.4
177.05467	1.1
178.05016	0.9
181.05028	0.7
182.09689	0.7
184.09904	1.1
186.05499	0.7
190.04987	17.2
195.09207	0.9
196.09937	1.0
197.07103	0.7
197.10779	1.7
199.08611	1.3
199.12341	1.5
204.06552	39.4
205.06981	1.3
209.08168	1.3
209.10765	0.7
210.09216	1.6
210.11604	0.7
211.08582	3.0
211.12286	1.0
212.09462	1.6
213.10281	0.7
223.08783	1.0
224.09378	1.5
225.10222	8.1
226.10912	1.1
226.33472	0.6
227.11754	11.4
229.15639	1.2
236.09521	1.5
237.10269	3.2
238.11017	1.8
239.11789	2.9
241.09750	1.1
241.13402	1.0
249.10280	1.1
251.08066	1.0
251.11740	3.0
253.09692	5.4
255.11406	1.7
259.09738	0.7
263.08121	1.5
264.08939	3.2
265.09738	1.9
266.10617	1.3
267.11340	2.4
269.12842	12.2
271.10733	7.8
273.12262	3.2
277.09750	2.1
279.11285	4.4
281.09271	1.0
281.12756	1.0
283.10724	5.3
284.11566	3.9
285.12320	5.6
286.13101	1.4
286.17722	1.5
287.13889	12.9
295.10712	1.7
297.12283	8.0
299.13950	3.6
301.12650	1.0
302.12827	0.8
307.10687	1.6
309.12448	1.2
311.14215	0.6
312.15115	1.2
313.13104	1.0
314.13147	0.9
315.13916	1.6
316.10892	0.8
316.14212	1.3
318.16153	0.7
319.10831	0.8
321.12369	1.4
323.10236	5.8
324.11310	0.7
325.11798	17.6
325.15576	1.3
326.16751	1.4
327.13531	2.1
327.17166	1.2
328.10803	2.8
328.14444	2.0
329.11469	1.0
329.15054	2.4
330.12570	1.0
330.16119	1.9
331.16724	2.3
339.13766	1.0
340.14694	1.0
341.11954	1.7
342.12360	6.6
342.15948	1.1
343.12891	9.3
343.16647	0.9
344.14001	0.9
344.17596	0.8
354.12402	1.1
355.13269	1.7
356.13898	6.6
357.14465	19.5
358.15350	3.5
359.16019	0.8
368.17905	0.8
369.15088	0.8
370.11798	1.3
370.15561	3.9
371.16492	1.4
372.17163	1.3
378.18277	1.2
380.14078	1.0
381.14688	0.6
382.11819	3.5
383.12717	1.8
384.13116	3.6
384.17566	1.3
385.14215	2.4
386.14847	2.2
386.18698	2.5
387.15747	0.7
388.16565	1.2
390.18204	3.1
394.15649	1.2
398.14960	19.3
399.15771	25.3
400.16479	2.2
402.18362	1.0
404.16000	5.5
412.16592	2.2
414.18216	4.5
416.15970	16.5
417.16418	1.5
422.17249	2.7
423.23611	1.0
428.16046	4.2
430.17654	4.0
440.16083	6.4
446.16965	8.1
448.18558	1.0
458.17102	27.0
459.17737	1.0
478.19888	1.8
487.17029	7.7
490.19754	8.6
505.18323	0.8
519.19250	1.3
523.23511	0.7
551.22260	1.0
565.24561	1.6
567.25818	2.0
569.23682	4.4
575.22858	0.9
583.25446	1.7
593.23840	5.9
611.24976	100.0
612.25165	2.2
620.22626	0.7
643.27557	15.8
755.29193	1.5
773.30170	25.7
774.30420	0.8
805.33057	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	806.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.5
57.03437	1.1
57.07079	0.6
59.05001	1.3
61.02927	1.1
65.03937	0.8
67.05502	4.1
69.03423	2.0
69.07056	3.2
70.06274	0.4
70.06599	2.9
71.01358	1.4
71.04984	3.9
71.49587	0.7
71.49973	0.5
72.08128	0.6
75.09404	0.4
77.03928	0.7
79.05490	11.9
79.05924	0.8
81.03416	3.1
81.07053	19.2
83.04971	1.6
83.08604	1.3
85.02904	3.9
85.06541	0.4
86.09709	1.8
91.03948	0.5
91.05476	7.3
93.07040	11.1
95.04965	15.1
95.08606	7.3
97.02885	2.4
97.06534	2.8
97.10168	1.0
99.08123	0.6
103.03970	0.7
103.05473	3.3
105.03373	1.3
105.07034	10.6
107.04953	100.0
107.08592	9.4
108.05303	0.9
109.02872	9.3
109.06546	2.4
109.10152	9.0
111.04430	0.9
111.11752	0.5
113.09634	0.6
117.07023	0.9
119.08580	18.2
120.08102	0.5
121.06506	7.6
121.10149	2.6
123.04430	3.7
123.08062	0.6
123.11698	3.3
124.23857	0.4
125.02360	2.7
125.05962	0.9
127.03922	1.2
127.11200	7.1
131.04936	2.3
131.08546	0.9
133.02859	2.7
133.10132	7.2
135.04439	2.2
135.08070	0.7
135.11687	15.9
137.05957	1.3
139.03899	5.8
141.05492	0.8
145.10097	1.0
147.11679	5.6
149.05965	6.7
149.13264	1.6
151.03899	16.4
153.05467	1.9
153.12714	2.4
155.47205	0.4
157.04916	0.7
159.04399	0.8
159.11703	0.5
161.13258	2.6
163.03903	0.6
163.14836	1.1
165.05475	63.3
165.12593	0.5
166.05748	0.5
166.38228	0.5
167.07034	7.4
173.13060	0.6
175.14882	0.7
177.05472	12.7
177.16348	0.7
183.06572	1.1
191.07021	1.2
193.04976	1.1
193.83405	0.5
195.06526	9.8
203.17964	15.5
205.19504	1.0
206.08046	0.5
209.06129	1.0
209.08093	18.3
221.19003	29.4
225.07561	1.7
227.09132	44.2
241.13367	0.9
242.13573	0.5
267.08875	0.6
267.70605	0.4
371.13281	0.5
389.14246	1.3
415.24698	0.4
429.26053	0.6
447.27246	0.9
555.33142	0.5
608.28119	0.5
609.31964	2.0
626.28961	0.8
704.28632	0.5
806.35730	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	806.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	26.5
57.07083	2.3
59.04999	5.0
61.02925	5.2
65.03942	4.6
67.05505	100.0
69.03422	8.9
69.07066	17.4
70.65983	2.1
70.66331	3.2
71.01360	2.3
71.04984	10.1
73.02921	4.1
77.03909	1.8
79.05025	2.3
79.05491	46.2
81.03417	81.6
81.07053	54.6
81.07541	2.1
83.01363	1.7
83.04978	30.2
83.08212	1.0
83.08616	35.0
85.02906	41.6
85.06539	4.4
86.42866	1.5
87.04462	3.9
91.03960	1.6
91.05481	50.0
93.07043	34.3
95.04969	31.7
95.08611	19.9
97.02910	8.0
97.06527	11.3
97.10176	13.8
99.08084	2.6
103.03945	2.1
105.07034	36.0
107.04949	14.8
107.08591	17.2
109.06535	10.1
109.10158	69.4
110.79776	1.3
111.04448	4.9
111.08071	16.1
113.05961	3.1
115.05470	1.9
116.04753	1.8
117.07025	5.0
119.04991	1.7
119.08575	30.5
121.06507	3.8
121.10143	13.4
123.08099	3.8
123.11675	3.1
125.06013	2.0
125.09630	16.2
127.07584	1.2
128.06226	1.7
129.05486	5.5
129.07005	14.1
131.08574	17.4
133.06506	3.8
133.10121	16.3
135.08025	1.8
135.11713	5.4
137.09621	6.2
139.11230	1.8
142.07794	1.9
143.10695	2.1
145.10143	5.8
147.08099	3.7
147.11682	17.4
147.34785	1.5
149.02356	1.6
149.09598	7.6
153.12747	2.2
155.10649	2.9
157.10112	15.8
163.11188	11.7
165.12744	3.4
173.11757	22.4
175.11192	16.9
181.12308	3.3
191.10735	5.6
193.04994	1.9
193.12242	65.4
194.05431	1.5
199.13306	6.3
209.11667	6.7
211.13289	79.5
217.14352	1.6
227.12726	7.6
229.14337	54.9
265.14328	2.3
267.15884	25.4
278.15399	1.4
283.15448	5.6
285.16946	63.4
286.04672	1.5
301.16452	13.2
339.83517	1.4
399.23798	22.6
409.25671	4.5
421.25821	13.9
427.26981	3.3
439.26901	43.5
467.67957	1.4
473.25323	1.5
493.27991	4.5
511.29089	10.8
529.30145	2.2
591.34906	2.0
609.36310	40.7
806.47125	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	818.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.0
57.07079	27.1
59.04995	2.0
59.19843	0.9
63.37313	1.0
65.03941	2.2
65.78700	0.9
67.05507	52.9
69.03423	4.2
69.07076	9.8
70.47674	4.1
71.01371	0.9
71.04994	2.3
71.08633	22.2
73.02911	3.3
79.05496	13.5
81.03415	4.1
81.06603	2.0
81.07060	25.3
83.04979	4.4
83.08620	15.1
85.02914	17.5
85.06536	1.2
85.10186	10.0
87.04475	8.5
91.05480	5.3
93.07054	4.4
95.04971	1.9
95.08612	21.6
97.02900	2.4
97.06517	1.5
97.10167	24.1
99.04443	1.8
103.03940	1.9
105.06966	1.7
107.08595	8.6
109.02879	7.9
109.10162	35.9
110.03690	2.1
111.04458	3.5
111.08035	1.5
119.08579	3.5
121.10127	2.0
123.11666	3.2
125.09631	23.3
127.03927	3.3
137.09618	1.7
143.10675	6.0
145.10078	1.4
153.12718	1.2
163.11168	3.0
167.64194	1.1
171.11362	1.0
173.11745	11.0
183.25320	1.1
191.00169	2.5
191.10663	1.4
199.13297	14.3
209.01143	1.1
209.11694	1.6
217.14288	1.7
227.12753	6.4
229.14357	49.1
239.23671	9.5
240.67004	1.1
245.13843	1.3
257.24792	1.2
301.16467	19.7
301.19714	1.7
313.27359	100.0
314.27936	1.5
331.28311	2.2
336.51617	1.1
425.14728	1.6
437.30447	1.0
437.36023	6.9
455.16098	1.6
455.37411	5.9
467.37274	26.2
525.68506	1.1
539.28833	5.3
539.39288	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	821.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.4
58.16642	0.2
61.02893	0.4
65.03925	0.7
65.44913	0.3
67.05486	0.6
68.93193	0.2
69.03440	2.1
70.06570	0.9
71.49479	0.4
79.05467	1.2
80.04993	0.8
81.03393	1.1
81.07020	0.5
82.06554	0.7
84.04465	0.4
84.08143	0.3
85.02905	3.0
86.09691	0.5
87.04454	0.4
89.03900	0.6
91.05457	1.0
92.04943	0.4
93.05772	0.4
93.07058	1.7
93.22680	0.2
94.06029	0.4
94.06567	3.7
95.04939	0.8
95.07349	1.5
96.08128	4.2
97.02892	1.3
97.06516	1.1
103.05448	0.4
105.06967	0.3
106.06552	1.4
107.04970	0.5
107.07349	0.6
108.04482	2.0
108.08113	7.6
109.02844	0.4
109.08880	0.4
110.06028	0.5
110.08949	0.4
110.09677	6.1
116.04989	1.9
118.06521	0.6
119.25192	0.3
120.04449	2.6
120.07282	0.4
120.08103	6.6
122.06030	5.3
122.09593	0.6
124.07610	5.6
127.03869	0.9
130.06464	0.4
132.04454	0.5
132.08052	0.3
134.06001	2.5
136.07573	9.1
137.06013	0.3
137.08237	0.4
138.05457	0.5
138.09142	8.2
139.03838	0.4
144.03316	0.3
144.04448	4.8
146.06013	4.8
148.03989	0.3
148.07571	3.4
150.09105	1.1
152.07069	2.5
158.05986	0.7
158.09639	0.5
159.09187	0.3
160.03937	2.5
160.07574	1.2
161.05959	0.4
162.05513	3.6
163.06273	0.5
164.07091	1.6
165.05550	0.3
166.08644	13.8
167.07089	0.6
167.08893	0.4
170.09639	0.3
172.03935	22.3
173.04323	0.4
174.05495	2.1
174.09129	0.3
176.07069	4.4
178.04984	0.8
183.09103	0.5
184.09941	0.5
185.10754	0.8
186.05489	0.6
186.09201	0.3
187.12238	0.4
188.07053	0.5
190.04988	16.5
191.05351	0.3
192.06557	0.4
194.09789	0.3
197.07146	0.4
197.10689	1.0
198.07829	0.9
198.09372	0.4
198.11476	0.5
199.08597	1.3
201.10175	0.5
204.06561	40.9
205.06818	0.5
209.10747	0.8
210.11465	0.5
211.08742	1.1
211.12445	0.5
212.09409	0.9
213.10204	3.6
214.01927	0.3
214.10866	0.4
215.11836	2.1
222.07556	0.4
223.08711	0.7
223.12271	0.5
224.09407	1.2
225.10301	1.7
226.08626	1.1
226.10889	0.4
227.08134	0.4
227.11716	2.1
229.09564	0.5
229.13206	0.6
234.09171	0.5
235.08617	0.5
236.09402	1.5
236.65889	0.3
237.10161	2.4
238.10982	1.2
239.08101	0.5
239.11708	1.4
241.09760	2.8
242.10602	0.3
243.11308	9.6
244.11499	0.3
245.12871	0.5
249.10211	1.1
250.10977	0.6
251.08102	0.6
251.11861	2.2
252.08943	0.9
252.12546	0.4
253.09760	2.1
253.13347	0.8
254.10544	0.6
255.11287	2.6
256.12051	0.7
257.12772	1.2
259.10883	0.4
261.10211	0.4
263.08194	1.1
263.11737	0.7
264.08923	3.3
265.09711	2.0
265.13177	0.3
266.10431	0.8
267.07709	0.4
267.11288	1.7
269.09213	2.9
269.12781	0.8
270.10123	0.9
271.10776	2.4
271.13773	0.5
273.12314	4.5
277.09647	1.7
278.10522	0.5
279.11273	3.7
280.11978	0.6
281.09583	0.5
281.12784	1.1
282.09982	0.4
283.10797	4.3
284.11581	1.1
285.12317	14.5
286.12885	0.4
287.10254	6.7
288.15097	0.3
291.11090	0.5
293.09250	0.9
294.09964	0.7
295.10782	0.8
296.11621	0.4
297.12326	7.2
299.10284	1.7
299.13968	3.2
300.14941	0.5
301.11737	2.0
302.12854	0.9
303.13397	21.0
304.14145	1.3
305.08932	0.6
307.10834	1.9
308.11331	0.4
309.09058	0.3
309.12350	1.1
311.10220	1.3
312.15030	0.3
313.11838	2.3
314.13159	0.6
314.16565	0.8
315.10214	0.5
315.13821	0.4
316.10980	1.1
316.14514	1.0
317.15256	1.1
318.12366	0.4
318.16022	1.1
321.12189	0.5
323.10239	5.5
324.11310	0.3
325.11829	17.4
326.12698	1.0
327.13583	2.8
328.10855	0.3
328.14502	0.5
329.11600	1.2
329.15109	1.1
330.12366	2.0
330.15988	0.7
331.13123	1.1
332.13947	0.6
333.14600	0.4
334.09140	0.6
334.15359	0.3
337.11728	0.7
339.13483	0.9
342.12531	0.9
342.16113	0.6
343.12988	5.1
343.16727	0.3
344.14038	2.5
345.14798	1.0
346.15549	2.4
347.16180	1.2
354.12531	0.4
355.13190	0.5
356.14011	1.0
357.14471	17.9
358.12149	0.5
358.15552	5.2
359.16049	1.0
360.13141	0.4
360.17114	1.1
361.14316	0.6
362.14835	0.4
368.13959	0.5
369.11761	0.3
370.11868	1.6
370.15918	0.5
371.12500	3.0
372.13278	3.0
372.17130	0.5
373.14069	2.0
374.14862	2.5
374.18710	0.5
376.16779	0.7
378.18018	0.3
381.10727	0.8
382.15540	0.6
383.12674	0.4
384.13611	1.0
385.14304	2.5
386.14975	9.2
387.15805	5.2
388.12781	0.8
388.16589	0.9
390.18460	0.5
392.16357	1.2
394.17529	1.1
396.13495	0.7
398.15118	0.5
399.16031	0.4
400.17004	1.2
401.13684	1.1
402.13599	2.0
402.19128	1.5
403.15344	1.1
404.16068	4.6
405.16461	0.5
406.17691	3.7
410.14935	0.8
412.16733	0.5
413.14319	1.0
414.14459	10.6
415.15265	23.4
416.16058	2.0
417.16971	0.6
418.17584	2.4
420.15533	3.8
426.14511	0.4
428.16260	2.3
429.16617	0.5
430.17847	3.4
431.15463	0.4
432.15521	15.0
433.16095	0.9
434.17117	0.5
438.16727	2.0
444.15558	3.1
445.16284	0.5
446.17188	3.6
456.15497	6.1
458.16925	0.4
462.16589	8.6
462.22876	0.6
463.17200	0.5
464.18155	0.7
469.16388	0.4
474.16611	27.3
475.17175	1.0
476.18396	0.9
487.17203	6.5
488.18246	0.8
494.19174	2.4
505.18048	0.5
506.19226	11.3
507.19641	0.6
519.19794	0.7
521.21838	0.4
539.22699	0.5
540.21869	0.3
555.26056	0.6
557.24054	0.4
567.22186	0.5
581.24347	1.5
583.25781	1.2
585.23444	3.9
591.22565	0.7
599.25238	1.7
609.23425	6.2
611.25000	0.6
627.24481	100.0
628.24957	5.1
636.22119	0.3
641.26166	0.7
659.27112	16.5
660.27502	1.0
743.29370	0.4
753.27350	0.6
761.30139	0.8
771.28778	0.8
789.29706	14.8
790.29895	1.0
821.31763	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	821.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.4
59.16872	0.4
60.54722	0.3
61.02919	0.4
63.19275	0.4
65.03944	0.7
66.15597	0.3
67.05482	1.2
69.03417	0.9
69.07050	0.4
70.06588	3.1
70.47108	1.1
71.42506	0.4
72.08147	0.8
79.05468	1.4
80.04997	0.5
81.03417	2.0
81.03811	0.3
82.02874	0.3
82.06590	0.8
83.04985	0.4
84.04484	0.9
84.08126	1.1
85.02915	2.3
86.09699	1.2
89.03902	0.7
91.05463	1.5
93.07022	1.5
94.06564	2.5
95.04958	1.1
95.07343	1.0
95.08577	0.4
96.08121	3.2
97.02853	0.6
97.06535	2.6
103.05497	0.6
105.07024	0.6
106.04181	0.3
106.06538	0.7
107.04938	0.9
108.04491	0.7
108.08110	3.3
109.02861	0.8
109.10154	0.4
110.09689	4.3
116.04986	2.0
118.06548	0.5
119.54420	0.4
120.04435	0.9
120.08112	4.6
122.06023	4.6
122.09631	0.5
123.04426	0.4
124.07587	4.2
127.03929	0.4
129.06902	0.3
129.10229	0.6
129.25545	0.3
131.08527	0.4
132.08037	0.5
133.10147	0.5
134.05995	1.2
136.07584	7.3
137.05920	0.8
137.08429	0.4
138.08160	0.5
138.09138	5.8
139.03865	0.5
143.08571	0.6
144.04456	5.8
144.08099	0.7
146.05978	2.4
147.07669	0.7
148.07568	2.1
149.05954	0.4
150.05476	1.2
150.09093	1.0
152.07018	1.0
155.07254	0.6
155.08479	0.7
155.79959	0.3
157.10173	0.5
158.05963	0.6
158.09613	0.5
160.03947	1.8
160.07611	0.4
161.05960	0.5
161.07169	0.4
162.05511	3.3
163.03853	0.9
164.07057	0.5
165.05444	0.9
166.08650	11.5
167.07037	1.4
167.08304	0.3
168.08080	0.4
169.08800	0.4
170.09637	2.4
172.03935	34.7
172.09883	0.8
172.11234	0.8
173.04424	0.6
174.05481	1.3
174.09149	0.7
175.08687	0.5
180.08055	0.6
181.04851	0.4
183.06795	0.6
184.07497	0.4
184.11191	0.6
186.09140	0.8
187.08685	0.7
187.12309	3.6
188.10760	0.5
190.04982	6.2
191.07100	0.4
192.06548	0.6
197.08350	0.4
198.09143	20.0
199.08693	0.6
199.12328	0.7
200.09149	1.7
200.10776	1.2
201.13853	0.6
204.06558	47.0
205.07008	1.0
206.07976	0.4
209.10875	0.4
211.08560	0.5
212.10814	3.4
213.10257	0.8
215.07253	0.5
215.11794	17.3
225.10225	1.4
226.08681	5.4
226.10854	0.7
227.08270	0.9
227.11852	1.8
228.08792	0.6
229.09708	1.1
229.13452	1.1
231.11307	0.9
236.09441	0.5
237.10207	0.6
239.11832	0.8
240.10501	2.2
241.09706	1.9
241.13370	1.2
242.10477	1.3
243.11290	89.6
244.11613	2.0
249.10107	0.5
251.11729	0.9
253.09769	0.7
255.11282	7.6
256.11975	0.5
257.12857	6.1
259.09570	0.8
265.09805	0.5
267.11267	1.2
267.15924	0.7
268.09744	0.5
269.09201	1.0
271.10654	0.4
279.11276	1.3
282.07504	0.4
283.10770	1.0
284.11618	0.6
285.12332	85.0
286.12756	2.0
295.10785	0.5
297.12317	1.4
298.12927	0.5
301.11850	7.7
302.12540	0.7
303.13382	100.0
304.13882	1.8
307.10574	1.2
309.08572	0.4
313.11923	0.5
315.09598	0.6
325.11835	7.1
329.14810	0.9
339.13184	0.5
343.12848	1.8
357.14456	10.6
358.15265	1.6
359.15930	1.6
383.12906	0.5
385.15381	0.5
386.15158	0.6
387.12030	0.5
397.15030	0.4
416.15057	0.4
418.17752	1.3
428.15842	0.9
430.17206	0.6
446.16943	0.4
456.15802	0.6
462.16705	2.5
470.17307	1.5
474.16602	3.2
476.18268	2.9
487.17212	1.9
488.18124	0.9
494.19220	2.7
506.19199	0.6
519.19891	0.5
536.19928	0.8
581.24036	0.4
583.25372	5.0
599.25067	2.3
609.23499	1.9
623.24963	0.5
627.24554	13.9
628.24115	0.4
641.26105	9.0
642.25653	0.4
659.27014	1.9
789.30286	0.5
803.30988	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	821.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	18.8
57.07061	1.0
59.04997	1.0
61.02923	73.4
65.03922	2.3
65.96297	0.8
67.05141	1.7
67.05502	32.8
69.03429	26.7
69.07064	8.1
69.31789	7.4
71.01349	2.8
71.04987	4.7
72.84801	0.8
73.02913	24.5
75.04457	1.9
79.05491	20.3
81.03413	21.7
81.07053	31.4
83.04969	5.1
83.08625	5.4
85.02900	100.0
85.06533	1.5
87.04459	3.1
91.03950	55.5
91.05466	11.9
93.07039	22.6
95.04971	5.5
95.08599	23.2
97.02888	70.8
97.06519	2.1
97.10158	2.0
99.04448	14.4
99.08051	0.9
101.02355	3.5
103.03931	9.2
105.07024	10.3
107.04957	2.4
107.07875	1.6
107.08580	14.7
109.02864	12.5
109.06492	2.0
109.10146	13.2
111.04449	3.9
115.03934	6.1
117.05495	2.4
117.06992	4.8
119.08569	9.2
121.06521	1.3
121.10132	11.9
123.08122	1.8
123.11664	5.1
125.09595	1.2
127.03912	39.9
129.04613	0.8
129.05466	4.7
129.06998	1.2
131.08536	8.3
133.10112	8.3
135.11688	7.3
137.05960	1.9
137.09599	1.5
137.13268	1.3
141.05450	1.0
143.08589	1.6
145.04953	30.3
145.10149	6.5
147.07977	1.4
147.11642	6.2
149.13222	5.3
151.11162	0.9
157.10129	1.6
159.06516	2.5
159.07956	1.0
159.11708	5.3
161.13271	3.9
163.06010	18.8
163.11084	1.3
163.14845	3.1
169.04892	1.0
171.06541	1.5
171.11656	2.4
173.09654	1.0
173.12033	1.0
173.13290	5.8
175.14851	2.4
177.16283	1.0
179.14319	1.0
183.06572	8.7
183.11696	1.1
185.13248	2.0
187.11162	1.1
187.14812	2.7
195.11812	1.0
201.07556	6.5
203.14325	0.8
211.11342	1.1
214.68349	1.0
233.22821	1.0
243.21078	5.6
259.20563	2.9
261.22134	17.0
273.22269	0.9
275.23483	1.1
277.21732	1.1
281.70230	0.9
285.22009	1.2
300.15115	1.5
301.16418	1.0
301.21597	1.0
303.23227	3.2
315.23203	1.7
317.24643	1.8
321.24045	1.1
327.23230	2.4
333.24316	1.0
335.25787	55.5
336.26166	1.2
337.27197	0.8
341.24780	1.0
351.23080	1.3
353.26819	1.2
363.25293	2.3
365.26239	0.9
369.24268	4.9
377.26825	4.6
387.25259	2.4
389.26782	1.8
405.26447	1.7
419.27805	2.4
431.28436	1.1
443.27994	5.9
461.28973	5.0
479.30020	10.3
497.30893	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	823.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.8
65.03948	2.4
67.05487	4.2
69.03413	4.2
69.07061	3.1
70.06589	9.1
71.49513	2.4
73.02918	1.8
79.05488	9.5
80.05001	1.7
80.67960	1.3
81.03406	5.9
81.07054	3.8
83.04912	1.6
84.04480	3.1
84.08140	4.4
85.02906	9.2
86.09674	5.8
91.05473	6.4
93.07050	7.8
94.06566	4.4
95.04971	5.2
95.07321	1.7
95.08614	1.3
96.08118	4.7
97.02898	3.7
97.06539	8.1
99.04463	1.5
103.05453	4.9
105.05772	1.3
105.07039	3.0
106.06546	3.6
107.04925	2.6
107.07310	2.6
107.08535	2.0
108.08128	16.6
109.02896	2.2
109.10126	3.4
110.09692	11.3
118.06516	6.0
119.04934	1.7
120.08106	100.0
121.06497	1.9
121.08859	5.4
122.06010	1.7
122.09700	14.5
127.03922	2.9
129.10197	2.8
131.07222	2.5
134.09636	2.4
136.06596	1.4
136.07559	10.5
136.19017	1.2
137.05949	2.8
138.09142	42.2
145.08830	1.8
146.06007	1.5
146.09676	8.0
147.04477	2.2
148.07550	4.9
152.07115	2.0
158.09660	1.7
160.07587	3.0
161.05997	3.2
162.09132	3.3
163.03865	2.1
164.07039	1.7
165.05481	2.8
166.08620	4.6
167.07056	6.6
172.07539	2.7
172.11203	2.6
174.09157	13.8
175.11287	1.4
177.05359	2.1
180.10196	3.7
181.04974	3.0
186.09190	2.5
188.03423	2.4
188.10648	4.3
191.07007	2.5
192.10178	2.2
198.08978	2.1
200.10780	2.4
211.13139	1.9
217.09705	2.4
224.10701	1.4
225.10295	1.4
227.11765	1.6
229.09801	1.8
238.08711	2.4
249.10269	1.5
252.10243	1.6
253.09769	1.9
259.09747	4.2
265.09491	1.7
267.11301	3.2
273.08740	1.8
281.08893	1.6
283.10535	1.9
285.12305	1.8
287.10080	3.0
287.13525	1.4
288.11060	1.9
295.10715	2.3
296.09018	1.7
297.09308	1.8
298.10809	10.0
313.11810	4.6
317.11404	1.3
323.10529	2.0
327.14780	2.6
341.11353	4.9
342.12241	2.2
343.13882	1.5
372.13721	1.6
373.13907	5.6
373.18564	2.5
386.15875	4.0
387.17093	2.2
399.16687	2.8
400.16574	2.9
402.18176	2.0
417.17944	6.5
418.18149	3.3
428.16064	1.9
430.17484	1.9
432.19211	2.7
442.17542	2.2
443.18045	4.2
446.16858	2.7
448.18900	2.1
460.18616	6.1
461.19550	23.3
462.19958	6.2
471.18030	1.6
478.19531	3.7
479.20435	2.5
488.17471	1.6
489.18860	3.0
490.19885	3.5
492.21103	5.9
493.21844	9.9
510.22406	6.2
511.23145	2.4
520.20636	4.3
521.21594	4.4
522.22839	2.2
538.21814	18.4
565.24292	3.9
583.25250	11.9
601.26221	4.8
611.25043	21.5
613.46411	1.5
615.28168	57.9
616.28406	2.2
625.25134	1.8
629.26086	18.9
633.29114	70.9
634.29028	2.2
643.27637	36.9
661.28650	55.8
759.30286	2.0
805.30951	2.1
823.29102	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	824.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04540	0.4
65.03938	4.4
66.04704	0.3
67.05507	1.5
69.03434	1.6
70.06589	4.5
70.63055	1.1
71.04990	0.5
71.75980	0.4
72.08135	0.9
74.06101	0.6
75.04472	2.3
77.03941	0.5
78.04723	2.1
79.05488	3.6
81.03423	2.2
81.07062	0.6
82.04204	0.9
82.65793	0.3
84.04512	0.5
84.08134	1.2
85.02899	6.2
86.09711	1.1
89.03918	0.7
89.06019	0.6
91.05479	8.4
91.06040	0.6
91.65067	0.4
93.03407	8.0
93.07035	3.2
95.04967	5.3
97.02890	1.4
97.06542	2.8
103.05464	15.7
105.03388	0.8
105.04455	0.5
105.07034	5.2
106.04170	14.5
106.04900	0.8
107.04958	8.1
108.02086	0.6
108.05776	0.4
108.44634	0.3
109.02869	0.5
109.06526	1.2
110.03658	0.9
111.04440	1.4
115.05447	5.1
117.03395	0.4
117.07007	3.2
118.04167	3.0
119.04939	1.6
119.08569	0.6
120.02143	0.4
120.05730	0.6
121.06505	17.6
122.03659	0.4
123.04430	3.1
123.08125	0.4
124.05203	1.7
125.05988	6.4
127.03911	0.8
129.06992	1.0
129.10236	0.4
130.04132	0.9
131.04930	13.7
131.08592	0.7
132.05688	1.4
133.02843	1.4
133.06482	6.5
134.03627	2.1
135.04376	1.9
135.08066	1.4
136.05205	0.5
137.05974	4.3
138.03137	0.8
138.06738	0.9
139.05409	0.3
139.07556	1.6
141.06981	0.5
142.02638	1.1
143.04933	0.8
143.05959	0.6
144.05685	1.2
145.02869	0.9
145.04955	0.9
145.06477	4.4
146.03569	0.5
147.04390	1.4
147.08034	1.8
148.05193	8.6
149.05977	31.4
151.03911	2.5
151.07588	1.9
152.04668	1.4
153.05484	3.5
153.09097	6.9
153.10233	0.6
155.06004	0.5
155.07077	0.6
156.05643	0.6
157.06494	0.9
159.04358	0.8
159.08020	1.2
161.05980	8.6
162.07712	0.6
163.03954	2.2
163.07541	15.5
165.05460	1.4
165.09077	0.4
166.06252	1.0
167.07039	41.0
168.07336	0.4
171.06575	2.6
172.05199	0.5
173.05991	5.3
174.06773	0.8
175.07538	2.9
176.04654	1.5
177.05470	18.2
177.09151	1.1
178.06053	0.5
179.07137	1.7
179.08498	0.6
181.04956	49.8
181.08556	16.6
182.05312	0.4
185.06142	0.4
187.03876	0.4
187.07524	3.0
189.05402	0.9
189.07019	0.4
189.09074	0.5
190.06236	1.3
191.07027	59.5
192.07491	0.7
193.04887	0.7
193.08601	3.5
194.05629	0.4
195.06529	3.1
201.05426	1.1
202.06181	0.6
203.06987	1.9
205.06761	0.6
205.08569	2.7
207.06508	1.4
207.08264	0.7
207.10149	1.5
209.08086	100.0
210.08408	0.8
217.08505	2.2
219.06325	0.4
219.08189	0.7
219.10126	3.6
221.08031	0.9
225.07571	0.8
229.08586	0.8
229.15443	0.8
231.06546	0.8
233.08040	3.4
233.10173	0.5
234.08875	0.6
235.07510	1.2
235.09659	4.1
236.08194	0.5
245.08052	1.4
252.07909	0.7
259.09717	0.4
263.09174	15.0
265.08636	0.9
267.10181	2.4
279.10092	0.8
281.08130	0.5
282.34784	0.3
291.06567	0.4
293.07874	0.5
295.09482	0.9
297.11194	1.5
307.09607	1.4
309.07999	0.4
311.09167	0.4
313.11041	0.4
325.10663	2.0
327.12228	0.9
329.13892	0.6
331.11722	0.7
337.10516	0.8
339.12170	0.7
344.12674	0.5
353.09970	0.7
357.13348	4.1
359.14731	0.9
361.13431	0.4
367.11758	1.3
369.13226	1.0
371.14685	0.6
381.13022	0.5
385.12723	6.1
387.14200	1.2
399.14343	2.0
417.15430	17.1
418.15436	0.6
457.43472	0.4
488.40393	0.4
541.23260	0.4
577.19879	0.5
609.22668	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	824.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	0.7
65.03931	0.6
67.05481	1.3
69.03435	3.3
69.56087	0.6
69.56497	1.9
70.06583	0.7
71.04971	0.4
73.02916	0.6
76.60704	0.3
79.05485	1.1
80.04984	0.4
81.03423	2.3
81.07065	0.4
84.08122	0.7
85.02396	0.3
85.02910	6.4
86.40975	0.3
87.04481	0.9
91.05493	0.8
93.05775	1.1
95.04964	4.0
97.02905	3.0
98.21558	0.6
99.04444	0.5
105.03413	0.3
105.07022	0.4
106.06562	0.3
107.04954	0.9
109.02893	0.8
109.06541	0.7
110.05999	0.4
117.05777	0.7
118.06522	0.5
122.05986	0.5
123.04428	2.6
127.03925	1.6
130.06514	0.5
131.07294	2.1
132.08087	1.1
133.02821	0.4
133.08846	0.5
134.09656	51.0
136.11227	1.9
137.06007	0.9
139.03932	0.6
141.05435	0.7
145.04965	0.7
146.06062	0.8
146.09654	1.7
147.10417	3.8
151.03903	2.8
157.08891	0.5
158.09659	49.4
159.06862	0.3
159.10445	10.8
160.07585	0.5
160.11229	6.7
161.11983	2.1
162.09146	3.7
163.09875	0.4
164.10733	0.8
165.05484	20.4
170.09685	1.8
172.11206	1.4
173.05917	0.3
174.09178	2.2
174.12820	1.3
176.10559	0.4
183.06526	0.4
184.11238	0.8
186.09221	1.2
186.12753	1.6
187.09927	8.2
187.13557	0.7
188.10712	7.5
189.05434	0.4
192.06580	1.0
193.12245	0.4
198.09143	1.0
204.10216	0.5
212.10765	1.2
212.14392	1.4
214.08659	0.9
214.12297	0.9
215.09425	12.2
216.10207	38.9
217.10699	0.7
218.08168	1.3
218.11781	4.1
219.12595	1.5
228.10184	1.9
230.11809	1.2
232.09729	1.2
238.12201	0.7
239.09402	0.3
240.10217	0.9
240.13835	0.8
242.11815	0.9
244.13361	0.4
246.11258	27.5
247.12039	3.3
248.10286	0.8
248.12828	15.4
254.11836	0.6
256.13452	1.2
258.14954	0.9
266.11917	0.4
268.09818	0.6
268.13461	0.9
269.10617	0.6
270.15045	0.5
272.12784	0.7
272.16580	0.7
282.15012	0.4
284.12790	4.4
285.16962	0.6
286.14438	1.1
288.12607	0.7
288.16043	0.9
296.15170	0.4
297.10031	1.5
298.16602	0.9
300.12384	1.1
300.16034	3.8
302.14041	1.4
310.14310	0.5
316.15451	11.7
318.17120	1.2
328.11954	2.4
338.13892	0.5
342.17099	0.4
346.16373	0.4
348.12244	0.4
360.14392	0.8
366.13489	1.7
370.16589	1.0
378.15643	1.1
380.15005	0.6
398.15964	6.5
430.18805	3.5
436.17700	0.6
440.20895	0.5
448.20047	0.8
450.18515	1.7
464.19370	1.6
468.20319	2.4
478.20782	7.4
480.22153	0.8
500.22739	0.9
560.21191	3.0
574.19354	0.7
592.24286	3.1
612.24597	0.4
630.25293	3.3
662.27979	3.4
824.33295	100.0
825.33490	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	824.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04540	0.4
65.03938	4.4
66.04704	0.3
67.05507	1.5
69.03434	1.6
70.06589	4.5
70.63055	1.1
71.04990	0.5
71.75980	0.4
72.08135	0.9
74.06101	0.6
75.04472	2.3
77.03941	0.5
78.04723	2.1
79.05488	3.6
81.03423	2.2
81.07062	0.6
82.04204	0.9
82.65793	0.3
84.04512	0.5
84.08134	1.2
85.02899	6.2
86.09711	1.1
89.03918	0.7
89.06019	0.6
91.05479	8.4
91.06040	0.6
91.65067	0.4
93.03407	8.0
93.07035	3.2
95.04967	5.3
97.02890	1.4
97.06542	2.8
103.05464	15.7
105.03388	0.8
105.04455	0.5
105.07034	5.2
106.04170	14.5
106.04900	0.8
107.04958	8.1
108.02086	0.6
108.05776	0.4
108.44634	0.3
109.02869	0.5
109.06526	1.2
110.03658	0.9
111.04440	1.4
115.05447	5.1
117.03395	0.4
117.07007	3.2
118.04167	3.0
119.04939	1.6
119.08569	0.6
120.02143	0.4
120.05730	0.6
121.06505	17.6
122.03659	0.4
123.04430	3.1
123.08125	0.4
124.05203	1.7
125.05988	6.4
127.03911	0.8
129.06992	1.0
129.10236	0.4
130.04132	0.9
131.04930	13.7
131.08592	0.7
132.05688	1.4
133.02843	1.4
133.06482	6.5
134.03627	2.1
135.04376	1.9
135.08066	1.4
136.05205	0.5
137.05974	4.3
138.03137	0.8
138.06738	0.9
139.05409	0.3
139.07556	1.6
141.06981	0.5
142.02638	1.1
143.04933	0.8
143.05959	0.6
144.05685	1.2
145.02869	0.9
145.04955	0.9
145.06477	4.4
146.03569	0.5
147.04390	1.4
147.08034	1.8
148.05193	8.6
149.05977	31.4
151.03911	2.5
151.07588	1.9
152.04668	1.4
153.05484	3.5
153.09097	6.9
153.10233	0.6
155.06004	0.5
155.07077	0.6
156.05643	0.6
157.06494	0.9
159.04358	0.8
159.08020	1.2
161.05980	8.6
162.07712	0.6
163.03954	2.2
163.07541	15.5
165.05460	1.4
165.09077	0.4
166.06252	1.0
167.07039	41.0
168.07336	0.4
171.06575	2.6
172.05199	0.5
173.05991	5.3
174.06773	0.8
175.07538	2.9
176.04654	1.5
177.05470	18.2
177.09151	1.1
178.06053	0.5
179.07137	1.7
179.08498	0.6
181.04956	49.8
181.08556	16.6
182.05312	0.4
185.06142	0.4
187.03876	0.4
187.07524	3.0
189.05402	0.9
189.07019	0.4
189.09074	0.5
190.06236	1.3
191.07027	59.5
192.07491	0.7
193.04887	0.7
193.08601	3.5
194.05629	0.4
195.06529	3.1
201.05426	1.1
202.06181	0.6
203.06987	1.9
205.06761	0.6
205.08569	2.7
207.06508	1.4
207.08264	0.7
207.10149	1.5
209.08086	100.0
210.08408	0.8
217.08505	2.2
219.06325	0.4
219.08189	0.7
219.10126	3.6
221.08031	0.9
225.07571	0.8
229.08586	0.8
229.15443	0.8
231.06546	0.8
233.08040	3.4
233.10173	0.5
234.08875	0.6
235.07510	1.2
235.09659	4.1
236.08194	0.5
245.08052	1.4
252.07909	0.7
259.09717	0.4
263.09174	15.0
265.08636	0.9
267.10181	2.4
279.10092	0.8
281.08130	0.5
282.34784	0.3
291.06567	0.4
293.07874	0.5
295.09482	0.9
297.11194	1.5
307.09607	1.4
309.07999	0.4
311.09167	0.4
313.11041	0.4
325.10663	2.0
327.12228	0.9
329.13892	0.6
331.11722	0.7
337.10516	0.8
339.12170	0.7
344.12674	0.5
353.09970	0.7
357.13348	4.1
359.14731	0.9
361.13431	0.4
367.11758	1.3
369.13226	1.0
371.14685	0.6
381.13022	0.5
385.12723	6.1
387.14200	1.2
399.14343	2.0
417.15430	17.1
418.15436	0.6
457.43472	0.4
488.40393	0.4
541.23260	0.4
577.19879	0.5
609.22668	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	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	4.1
67.05507	100.0
69.03429	10.5
69.07069	31.8
70.47245	9.1
71.04984	3.5
79.05493	62.1
81.03413	9.2
81.07058	83.0
83.04967	6.7
83.08629	16.8
85.02886	6.4
91.05488	59.9
93.06499	5.1
93.07046	70.9
95.04963	12.7
95.08008	4.1
95.08609	56.7
97.02895	3.3
97.06541	11.9
97.10172	7.2
99.08103	4.1
105.07035	39.6
107.04960	5.7
107.08593	34.3
109.06536	5.2
109.10153	24.7
117.07028	19.2
119.08575	32.5
121.10138	29.3
123.08088	3.3
123.11718	5.4
127.03924	3.3
129.07062	3.9
131.08557	27.3
133.10110	28.1
135.08043	6.3
135.11716	19.4
135.12587	3.4
137.09616	4.0
137.53703	3.0
143.08627	3.2
145.10121	19.2
147.11708	12.4
149.09636	4.1
149.13252	9.9
157.10164	5.1
159.11674	12.7
161.09663	3.1
163.14914	4.3
173.13300	7.6
175.11090	3.2
179.14308	3.1
185.13274	3.8
195.13754	3.4
203.14352	4.5
229.14284	8.2
239.17906	3.2
243.21045	4.1
248.16460	3.3
257.19052	7.7
261.22159	7.7
269.17526	21.0
275.20114	23.1
309.20578	6.5
317.24799	3.8
335.25800	78.2
349.23788	18.1
489.35904	5.9
515.37189	5.0
529.38776	45.6
569.41766	13.3
609.45135	17.2
627.45959	8.6
755.83594	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	826.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	0.9
67.05508	0.8
69.03424	3.4
69.57301	1.0
69.57710	2.9
70.06587	0.8
71.04982	0.8
79.05482	1.1
81.03407	1.2
83.04941	0.5
84.08141	0.9
85.02912	3.3
91.05492	1.1
95.04968	8.5
97.02892	4.7
98.06063	1.0
98.20264	0.5
99.04515	0.5
107.04958	3.5
107.28310	0.6
109.02899	1.5
109.03677	0.5
111.06816	1.1
112.07615	3.4
114.09206	0.6
119.04961	0.6
120.08121	1.5
121.06537	1.1
121.08820	0.7
123.04449	1.4
125.02331	4.2
127.03894	0.8
131.04959	0.7
132.08112	0.6
134.09622	0.9
135.04431	1.1
136.07587	6.2
137.08354	5.2
139.03871	3.8
141.05496	0.5
146.09671	0.5
148.07545	4.0
149.06010	1.8
149.08365	5.2
150.09154	3.3
151.03909	3.6
151.07516	0.5
151.09937	0.8
159.04436	0.5
160.07645	0.6
161.08366	1.0
162.09174	2.5
163.03905	0.9
170.09656	0.6
171.91705	0.5
176.10802	1.3
177.05577	1.7
178.08714	1.0
178.12299	0.9
179.09381	0.9
180.10190	11.9
188.10776	1.2
190.12335	0.5
198.09171	0.5
200.10765	1.1
202.12280	0.8
204.10222	0.6
206.11818	0.9
212.10730	1.4
213.80037	0.5
216.10175	1.1
218.11913	0.8
224.10664	0.8
226.51619	0.5
228.10265	1.2
229.11049	0.5
230.11687	0.7
240.10242	1.7
242.11786	0.6
243.29738	0.6
246.11247	3.7
247.11998	0.8
248.12921	0.7
256.09726	1.0
258.11285	1.4
260.13144	0.8
262.14545	0.5
274.10699	3.2
275.11487	9.9
276.12234	2.4
278.13834	4.0
279.14651	1.4
288.12421	1.6
289.13153	1.9
290.13824	2.7
302.13962	0.9
304.11957	0.8
304.15353	0.6
306.13336	6.9
307.14127	35.5
308.14978	3.4
316.15662	0.5
317.12061	0.5
320.14920	6.2
336.14517	1.7
342.15652	1.8
382.12915	0.9
386.15939	1.1
396.14621	0.8
400.13895	7.4
414.15604	2.0
432.16534	42.6
433.16943	1.1
468.18512	2.6
469.19461	15.1
470.19815	2.2
482.20285	7.4
494.20209	0.7
498.19232	0.6
502.20746	5.4
550.23157	0.6
594.21796	41.6
595.22180	1.9
664.26044	9.8
665.26526	0.8
826.31213	100.0
827.31622	5.9
849.61670	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	826.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.0
67.05503	0.7
69.03429	2.9
71.05002	0.6
73.02917	0.4
79.05494	1.3
81.03429	1.3
84.08131	0.6
85.02905	3.5
91.05505	0.8
93.07053	0.9
95.04974	8.3
97.02898	4.3
98.06087	0.6
100.07634	0.6
107.04943	3.5
109.02901	1.4
111.06850	1.6
112.07606	3.6
115.44223	0.5
120.08139	1.9
121.06503	0.9
121.08937	1.1
123.04448	1.3
125.02341	4.3
127.03963	0.8
131.05042	0.5
132.08142	0.9
134.09677	1.1
135.04440	1.5
136.07585	6.4
137.08363	6.3
139.03912	3.6
144.08170	0.6
144.38060	0.5
147.04408	0.7
148.07567	4.4
149.06024	1.7
149.08362	6.0
150.09143	3.9
150.12837	0.5
151.03909	4.1
151.09937	0.7
160.11308	0.6
161.08427	1.7
162.09178	3.2
163.03952	1.2
163.45630	0.5
174.09135	1.0
174.12833	0.7
176.10771	1.3
176.26996	0.5
177.05525	1.4
177.11536	0.8
178.08644	1.4
178.12389	0.9
179.09489	0.7
180.10196	13.2
186.09187	1.2
188.10811	1.9
190.12292	0.9
191.13202	0.6
192.10281	0.5
200.10826	1.2
202.08739	0.7
202.12355	1.6
203.13223	1.0
206.11774	1.0
212.10785	1.0
216.10251	0.6
217.14540	0.6
218.11847	1.0
219.12453	0.6
224.10776	1.0
228.10211	0.9
229.11034	0.9
230.11719	1.2
240.10316	1.7
244.09720	0.6
246.11218	3.8
246.50917	0.6
247.12019	1.1
250.14481	1.1
256.09705	1.0
258.11407	1.5
260.12946	1.1
261.13712	0.6
262.14432	0.6
270.11292	0.6
274.10812	3.7
275.11514	12.7
276.12387	2.3
278.13855	4.8
279.14706	1.3
288.12271	2.4
289.13193	2.3
290.13870	3.0
302.14044	1.8
303.04059	0.5
306.13324	6.9
307.14142	38.8
308.14874	2.9
312.12271	0.5
320.14905	5.9
332.15002	0.5
336.14435	1.7
342.15662	1.8
400.13901	5.9
404.16779	0.6
414.15582	2.0
432.16553	36.1
433.16626	0.7
468.18533	2.5
469.19476	15.3
469.26190	0.8
470.20023	2.2
482.20270	6.7
484.19534	0.7
502.21008	3.9
594.21814	39.4
595.22009	0.7
664.26019	6.8
826.31250	100.0
827.31555	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	826.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.0
67.05508	0.6
69.03429	4.4
70.06572	0.5
71.04967	0.6
71.23358	0.8
73.02904	0.8
79.05498	0.9
81.03422	1.3
82.06574	0.5
83.04972	0.5
83.36199	0.3
84.08147	1.2
85.02896	3.8
86.06077	0.5
87.04471	0.7
91.05496	0.8
93.07059	0.8
95.04968	10.2
96.08145	0.5
96.34418	0.3
97.02890	5.6
97.06496	0.4
98.06068	0.7
98.22942	0.3
99.04495	0.3
100.07623	0.5
103.05442	0.4
105.04511	0.4
105.07127	0.4
105.25722	0.3
106.06568	0.6
106.24940	0.3
107.04971	4.7
109.02892	1.4
109.08971	0.4
110.06017	0.4
111.04457	0.9
111.06838	1.6
112.07613	4.1
114.09154	0.6
118.06570	0.3
119.04987	1.1
120.08098	1.7
121.06509	2.6
121.08931	1.4
122.09670	0.4
123.04426	1.7
125.02344	4.6
125.06036	0.7
127.03962	1.1
131.04944	0.4
132.08130	0.6
133.06494	0.3
134.09654	1.7
135.04405	2.1
136.07578	5.8
137.08362	6.0
139.03905	13.2
144.29022	0.4
145.05069	0.3
147.04439	0.8
148.07568	3.5
149.06004	1.5
149.08368	5.5
150.09137	3.6
151.03926	5.6
151.09987	0.9
153.05499	0.5
158.09680	0.4
159.04486	0.7
160.07616	0.7
160.11250	1.2
161.08327	2.3
162.09134	3.3
163.03915	1.0
165.05597	0.5
170.09656	0.8
172.11200	0.7
174.09201	1.1
176.10710	1.7
177.05540	1.5
177.11443	0.5
178.08688	0.8
178.12334	1.0
179.09492	1.0
180.10179	13.5
184.11266	0.5
186.09132	1.6
187.09970	0.6
188.10736	2.6
190.12325	0.9
191.09669	0.5
192.10237	0.6
193.11121	0.3
194.08224	0.4
194.09811	0.4
198.09219	0.6
200.10770	1.0
202.08661	0.5
202.12326	1.7
203.13058	0.8
204.06367	0.3
204.10201	0.4
205.10942	0.4
206.11861	1.0
212.10741	1.7
215.09454	0.4
216.10286	1.1
218.11880	0.7
219.12607	0.5
223.93544	0.4
224.10814	1.1
228.10197	1.0
229.10960	0.7
230.11919	1.0
238.10619	0.8
240.10207	3.2
242.08290	0.5
242.11732	0.7
246.11244	3.9
247.12192	0.5
248.10716	0.5
256.09738	0.9
258.11246	2.4
260.12909	0.6
262.14423	1.0
264.16168	0.5
266.11731	0.9
270.11438	0.4
274.10684	3.3
275.11514	9.0
276.12390	3.8
278.13898	4.2
279.14877	1.1
280.11853	0.5
282.11401	0.6
288.12329	2.5
289.13065	1.6
290.13901	3.4
292.15546	0.4
294.11423	1.2
302.14008	1.2
304.15582	0.8
306.13373	6.0
307.14127	33.1
308.14935	6.7
312.12247	0.5
318.13867	0.4
320.14963	6.5
326.14017	0.8
336.14615	1.8
338.14224	0.6
340.15256	0.4
342.15604	1.5
354.13461	0.8
368.14825	0.5
382.13095	1.4
386.15985	0.6
388.16983	0.4
396.14398	0.8
400.13898	5.5
401.14105	0.4
404.16772	0.6
406.16605	0.5
414.15424	1.7
430.15204	0.4
432.16534	35.1
433.16852	0.9
434.16022	0.5
466.18784	0.9
468.18613	1.4
469.19458	14.5
470.19974	3.8
482.20163	5.9
484.19278	0.8
484.51154	0.4
498.19748	1.2
502.20782	3.8
560.21198	0.6
594.21808	38.3
595.22186	1.4
628.23749	0.6
632.24017	0.5
664.25848	8.0
665.26056	0.5
826.31238	100.0
827.31641	6.5
858.73016	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	826.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06514	0.5
61.02866	1.8
65.03908	1.3
67.05509	3.9
68.04994	0.9
68.51709	0.5
69.03433	18.6
69.05770	1.2
69.06998	2.0
70.06596	10.0
71.01316	0.6
71.04993	5.4
71.47900	0.9
71.48261	0.6
72.08104	1.1
73.02879	0.7
74.06030	0.9
79.05495	5.9
80.04960	0.7
81.03425	4.0
81.07060	3.3
82.06592	3.5
83.04987	4.5
83.08621	10.8
84.04483	1.3
84.08163	3.5
84.08913	0.7
85.02908	10.1
85.06467	1.7
85.94685	0.5
86.09649	2.2
87.04424	1.3
88.71326	0.5
91.05489	8.1
93.03339	2.1
93.07047	3.7
94.06493	0.6
95.04973	7.8
95.08575	1.1
96.04500	2.6
96.08083	1.3
97.02895	8.4
97.06524	2.6
98.09635	2.0
99.04369	1.5
100.07635	8.3
100.11263	40.7
101.11524	2.3
103.05412	1.5
105.03321	0.8
105.07042	5.7
106.06488	1.4
107.04967	6.2
107.08517	1.8
109.02878	4.6
109.06509	2.8
110.05984	1.5
111.04449	15.9
112.07613	4.3
115.05459	3.2
117.07015	7.8
117.13818	0.7
118.06506	1.2
119.04868	2.4
119.08572	4.0
120.08060	1.2
121.02862	1.2
121.06517	3.3
121.10075	0.9
122.05962	0.6
123.04353	2.1
124.03964	21.9
124.07542	0.7
125.05889	1.5
126.06729	1.3
126.09095	2.1
127.03940	3.0
127.07494	2.8
127.08541	1.3
128.06226	1.3
128.07072	11.1
129.05421	1.2
129.06944	2.6
131.04843	1.6
131.08499	1.6
133.05527	0.6
133.06491	7.4
133.10069	0.7
134.05933	2.0
135.04478	3.2
135.06723	5.3
135.07980	5.4
136.06177	4.4
136.07594	3.2
136.08585	0.8
137.02301	1.2
137.05997	3.9
139.03822	2.1
139.08591	2.2
140.03380	0.8
140.07086	5.8
141.07193	0.6
142.07713	0.9
143.08427	0.9
145.06497	6.4
146.05949	1.4
146.09593	0.8
147.04440	3.4
147.06837	0.6
147.08035	3.5
147.11659	1.0
148.07567	4.1
149.05917	2.5
151.03906	11.0
151.07565	4.6
152.05598	2.3
153.05431	0.6
155.05962	0.6
155.08301	0.6
157.06427	1.5
157.10039	1.4
158.05936	0.6
158.09586	1.5
159.04347	0.8
159.08078	0.6
160.07509	0.8
161.04790	1.0
161.05963	5.9
161.08258	0.5
162.05501	11.2
162.09036	0.6
163.03900	0.8
163.06218	13.2
163.07520	5.3
164.07077	28.4
164.14250	0.5
165.04234	0.9
165.05501	13.3
165.06871	0.8
166.08585	1.5
166.15883	1.1
167.07008	1.7
167.08496	1.5
169.06421	0.6
169.10020	0.5
171.04335	0.6
171.08000	1.4
172.07513	1.7
173.06001	3.4
174.05484	7.1
174.09050	0.7
174.12689	0.6
175.03918	0.8
175.07484	1.5
175.11125	1.8
176.07091	6.2
177.05420	1.2
179.07030	4.3
180.06458	1.5
182.15413	42.9
183.15817	4.9
185.05843	0.8
185.09685	2.8
185.11258	0.5
186.09102	2.2
187.07478	0.6
187.09840	2.3
187.11292	0.9
188.03397	2.3
188.07089	3.2
188.10645	2.3
189.05508	3.9
189.07820	14.6
189.09077	0.6
190.04999	51.1
190.08531	3.3
191.05470	1.0
191.07042	5.2
192.06546	4.3
192.13828	1.4
193.08565	1.2
195.08096	0.6
198.09039	1.6
200.07031	1.9
202.08575	2.3
203.07321	0.7
203.08997	1.0
203.10863	3.4
204.06549	0.6
204.10153	1.4
205.07253	0.7
206.04495	3.3
206.08034	2.0
207.06548	5.5
209.08083	0.9
209.16481	11.6
210.14903	55.6
210.16745	1.8
211.15244	8.5
212.07071	0.6
212.10686	0.8
213.09236	3.8
213.11177	0.9
214.08641	5.0
215.07169	0.7
215.09355	1.8
215.11009	0.9
216.06627	1.3
216.10190	4.4
218.08096	4.1
221.06772	2.1
226.08539	0.6
226.19101	2.2
227.17485	2.5
228.10120	1.3
228.15936	5.7
229.15718	0.9
231.10370	5.4
232.09662	4.9
234.07539	1.4
234.11179	2.0
240.10422	0.7
241.08817	2.8
241.10876	1.1
242.08116	3.9
242.11707	0.8
244.09654	0.9
245.18608	3.3
256.09677	2.8
256.13330	0.6
258.11133	1.4
259.09680	7.1
260.09207	8.1
270.11432	0.7
273.10336	0.6
280.13022	0.8
284.09262	7.7
284.12460	1.4
285.09845	0.9
286.10632	1.0
290.11847	0.6
300.15918	2.0
302.10260	4.5
302.13614	1.0
308.12704	1.4
309.25302	0.9
310.14282	1.1
312.08606	1.5
312.12143	1.1
318.11145	0.7
326.13837	2.5
326.27939	1.4
328.15497	5.3
330.09720	10.4
330.13199	0.7
331.36539	0.6
336.12299	3.0
336.22806	2.2
337.21143	4.2
338.13910	1.0
338.21631	0.9
344.11053	0.7
354.13345	14.6
354.17422	1.2
355.22256	3.4
356.15018	2.5
362.12418	4.2
364.11633	1.2
368.14926	1.7
372.14398	10.0
382.12878	19.2
386.16006	5.9
396.14462	1.9
400.13934	50.3
401.14139	1.3
406.16745	1.3
414.15466	19.4
424.17587	1.7
426.18784	0.6
432.16580	35.2
434.16003	2.1
435.33249	0.8
436.31915	1.9
438.18900	0.8
452.17075	12.2
453.34464	3.2
454.32764	4.2
455.33136	1.1
466.18756	5.8
470.12711	0.5
470.18121	30.7
471.35275	8.3
472.35657	3.2
484.19720	38.4
485.20071	1.3
502.20728	100.0
503.20929	2.5
544.18152	3.1
562.19385	9.3
563.38141	1.6
564.38519	0.6
576.20917	1.8
580.40564	1.2
581.39093	5.8
582.39630	2.3
594.21912	2.1
596.21039	1.1
614.22327	6.3
628.23993	2.2
632.23431	8.7
646.24921	14.5
664.26013	26.0
679.50684	0.6
680.50598	2.6
681.49475	1.3
789.55408	1.1
790.55609	1.2
807.55914	9.1
808.56281	8.2
825.56927	23.0
826.41510	1.5
826.57129	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	826.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	12.0
67.05501	47.4
69.07056	4.5
69.21005	20.8
70.98308	2.0
71.04995	3.0
71.08631	13.1
73.02905	3.2
81.07079	11.5
83.08614	9.9
85.02904	10.1
85.10176	6.7
91.03944	8.4
91.05457	4.1
91.20792	2.1
93.07031	2.4
95.08612	13.6
97.02883	4.3
97.10138	2.4
109.10155	66.9
115.93349	2.0
119.08613	4.6
122.68888	2.0
123.11693	3.2
127.03941	2.1
130.48579	1.7
135.04404	2.0
139.51947	1.9
163.05991	4.6
173.11742	19.9
177.16805	2.0
199.84853	1.9
207.60895	1.9
229.14337	100.0
238.98291	2.2
265.91562	2.2
296.87805	2.1
313.27365	71.5
467.37317	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03836	1.5
61.02925	4.6
62.01270	1.1
67.05492	4.1
69.03432	2.6
69.07072	2.3
71.50301	1.8
73.02921	3.3
75.67200	1.0
79.05489	3.9
79.84164	1.1
80.06199	1.0
81.07059	5.2
85.02907	4.5
88.42222	1.1
91.03966	2.5
91.05495	3.0
93.07050	4.2
95.08621	3.7
96.32077	1.1
97.02903	4.0
101.02390	1.4
105.07040	2.0
107.08594	1.2
109.10159	2.8
117.07103	1.2
119.08582	1.3
121.10144	1.5
133.10097	1.6
135.11748	1.5
203.98409	1.2
243.08472	2.6
249.34825	1.1
250.95123	1.2
273.18652	2.5
321.62073	1.2
333.20465	4.5
519.29114	6.3
551.28314	4.2
585.45477	1.2
803.48602	1.5
829.50659	100.0
830.50726	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	831.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	0.7
61.02927	7.3
67.05500	5.4
69.03429	4.9
69.07030	0.8
69.42813	0.6
71.04990	0.9
71.08617	1.5
71.50210	0.8
73.02917	5.0
76.63429	0.5
79.05497	0.7
81.03420	2.0
81.07053	2.3
83.08620	1.4
85.02914	7.6
85.10161	0.9
87.04433	1.0
91.03958	5.0
95.08613	2.3
97.02883	7.5
99.04469	1.3
101.02359	3.2
109.02907	1.7
109.10165	5.8
114.99298	0.6
115.03888	0.6
127.03951	2.6
145.04970	0.7
173.11813	2.1
185.04218	1.2
192.29013	0.6
195.09987	1.0
203.05231	0.9
225.79497	0.7
229.14339	1.3
238.51593	0.6
243.08568	2.7
248.97278	0.7
251.12633	1.0
313.27335	1.2
347.09470	3.4
365.10562	1.2
405.13727	8.1
413.17786	12.8
497.30811	6.7
575.23120	10.9
659.36127	4.6
669.42041	2.6
678.48419	0.7
831.47028	100.0
832.47052	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	834.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	5.0
65.03941	1.5
67.04252	1.1
67.05505	4.8
68.05012	1.4
68.99822	0.7
69.03433	16.0
69.07069	1.5
70.06602	8.5
71.04990	4.0
71.49403	0.8
71.49804	1.2
72.04506	0.9
72.08159	2.1
73.02909	2.7
77.03905	1.0
79.05495	5.1
80.05025	2.9
81.03414	9.9
81.07045	3.8
82.06580	6.3
83.01338	1.3
83.04988	2.7
83.08627	1.2
84.04517	2.0
84.08138	13.7
85.02905	26.5
86.09702	3.9
87.04473	2.5
91.03966	1.6
91.05487	5.7
93.03426	0.7
93.07037	4.8
93.12455	0.7
94.06586	0.9
95.04961	14.1
95.08593	1.6
96.08120	4.1
97.02892	16.9
97.06562	3.6
98.06061	2.7
98.09725	1.4
99.04470	2.6
100.07616	89.7
103.05477	2.0
105.04542	0.9
105.07041	2.6
106.06554	1.7
107.04939	5.1
108.04507	1.1
108.08131	2.6
109.02869	7.3
109.06526	2.5
110.07123	1.0
110.09695	2.1
111.04457	2.1
111.08086	1.2
112.07607	1.7
114.09213	1.3
115.05478	1.1
117.05742	1.0
117.07021	2.8
119.04912	1.5
119.08580	1.1
120.04468	8.7
120.08114	6.6
121.06500	37.6
122.06002	1.0
122.09687	1.5
123.04430	4.4
123.08054	1.2
124.03992	1.4
124.07574	6.0
125.02389	1.0
126.09169	8.1
127.03900	6.0
128.06171	0.9
129.04512	4.6
129.10265	1.2
130.02960	1.6
130.06552	0.9
131.04968	2.1
131.08559	1.2
132.08118	2.1
133.02876	1.0
133.06520	2.9
133.10139	0.7
134.09689	2.6
135.04411	2.0
135.08054	1.1
136.07590	6.5
136.11211	1.2
137.04977	0.9
137.05937	4.1
138.09178	3.0
139.03886	8.1
139.07536	12.2
139.08556	1.4
140.10677	1.1
141.05452	1.6
141.07011	1.2
142.08655	1.4
145.04970	3.2
145.06493	3.7
146.09642	7.4
147.04453	1.5
147.05524	41.2
147.35231	0.7
148.07567	2.4
149.06017	0.9
150.09172	2.5
151.03894	6.2
151.07538	0.9
153.05502	1.0
154.08647	2.1
155.07077	0.9
158.09651	1.3
159.04475	1.2
159.05560	5.8
159.08081	1.0
160.07622	1.4
161.06004	2.5
161.08359	1.0
162.09209	1.5
163.03966	2.3
163.07506	1.6
164.10718	9.2
165.05478	37.4
167.07059	1.9
169.06453	0.9
170.09705	3.0
171.04382	0.8
171.10464	0.8
173.04640	1.0
173.05992	2.4
173.07280	1.0
175.03928	1.0
175.07567	0.7
177.05339	1.3
177.06670	4.6
178.08667	2.5
178.12335	1.8
180.10220	1.8
181.05000	1.0
181.06367	0.9
187.05037	5.4
188.07085	1.4
188.10783	2.4
189.05545	1.9
190.05125	0.8
190.08664	2.3
191.07143	2.5
192.10233	1.8
194.11880	1.1
198.09245	2.9
200.10835	1.0
201.06673	1.7
203.08182	1.8
204.10159	1.0
205.08585	0.9
206.08138	6.4
206.11795	1.6
209.08138	1.9
210.11209	0.9
213.06410	0.8
215.07094	2.3
216.10248	3.0
216.13791	0.8
222.11174	1.2
226.08693	2.5
228.08875	0.9
229.09746	5.5
230.11765	1.6
233.08194	0.9
239.08218	2.3
240.13698	1.0
244.09720	3.8
244.13431	1.1
245.10593	0.9
248.12823	0.8
250.12314	1.3
257.67554	0.8
259.09628	1.1
262.10196	1.4
262.12863	18.5
265.06366	0.9
265.10272	1.0
267.07736	5.8
267.11032	1.4
268.13449	2.7
276.12372	2.5
278.11853	1.5
285.12314	0.9
286.14346	0.9
288.14545	1.0
290.13934	1.7
292.15198	1.1
296.12885	2.8
308.14862	4.1
309.08795	3.5
310.15091	3.4
314.14026	2.9
328.15829	2.3
344.13486	0.7
346.16507	2.4
353.12146	0.7
361.12088	1.2
364.17465	1.0
379.12820	12.1
389.33554	0.8
390.18317	2.2
393.14508	1.4
408.15408	5.6
411.15497	15.1
411.20776	1.1
422.16721	1.0
470.20413	2.6
472.21030	1.2
490.21915	1.8
492.21323	2.3
510.22601	2.4
526.22894	2.0
570.20630	5.2
573.20905	10.7
632.25720	1.8
640.25043	3.1
654.26569	11.1
672.27606	38.3
673.28259	1.3
816.31335	1.1
834.32886	100.0
835.33258	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	837.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09414	0.4
61.02918	1.0
64.48646	0.3
65.03931	0.5
65.91258	0.3
67.05508	1.0
68.05016	0.4
69.03426	3.7
69.07046	0.5
70.06593	3.4
71.48934	0.3
72.08154	0.6
79.05498	1.7
80.05047	0.8
81.03416	1.3
81.07054	0.5
82.06580	0.8
84.04518	0.6
84.08137	1.0
85.02911	4.5
86.09708	1.3
87.04463	0.7
91.03993	0.3
91.05463	1.6
93.05796	0.7
93.07046	2.7
94.06563	5.5
95.04951	1.1
95.07348	2.5
96.08126	5.3
97.02914	1.9
97.06534	1.3
99.04482	0.8
103.05471	0.7
105.07029	0.6
106.06587	0.4
107.04964	0.5
107.07337	0.8
108.04475	0.9
108.08116	6.7
109.02891	0.8
110.09684	8.6
118.06631	0.6
119.04964	0.3
119.08640	0.5
120.04464	0.4
120.08104	7.6
121.06551	0.6
122.06032	10.3
122.09676	0.8
124.07598	1.4
127.03967	0.8
129.10219	0.5
132.08093	0.4
136.07570	9.0
137.06013	0.7
138.05510	0.6
138.09146	11.7
139.03889	0.7
145.04985	0.6
146.06029	0.6
148.07591	3.0
150.05489	0.5
150.09155	1.0
152.07056	0.5
160.07541	0.9
163.03886	0.4
164.07033	0.4
165.05510	0.8
166.08646	13.8
167.07060	0.9
172.04063	0.4
181.05020	0.3
197.07077	0.4
197.12793	0.4
204.06496	0.5
206.08350	0.4
207.09081	0.7
211.08705	1.6
212.09494	0.4
221.10779	1.8
225.10249	1.0
227.11874	0.4
234.07968	0.4
235.08575	2.0
236.09489	0.9
237.10303	1.6
238.10912	0.7
239.11856	0.8
243.11330	0.4
247.08620	1.8
248.09476	1.5
249.10222	14.4
250.10947	2.7
251.07895	0.4
251.11810	3.0
253.09814	0.7
255.11209	0.9
261.10263	2.7
262.11041	0.7
263.08243	0.6
263.11771	3.1
264.08896	0.7
264.12695	0.5
265.09772	1.6
267.11346	0.9
271.10751	0.7
275.08191	1.2
276.08926	0.6
277.09723	8.4
277.12619	0.7
278.10461	2.7
279.08176	0.6
279.11365	2.5
281.09351	0.8
281.12897	0.5
283.10461	0.4
285.12354	0.6
289.09573	2.1
291.11206	2.9
293.09311	1.0
294.10068	0.5
295.10928	0.6
297.12402	0.9
301.12192	1.0
302.12921	0.5
303.13745	0.4
305.09103	0.5
307.10873	1.0
309.12329	6.9
310.13226	2.0
311.10983	0.6
311.14334	0.8
313.12372	0.6
314.13019	1.8
315.10175	0.5
315.13715	0.9
316.10861	0.4
318.12921	0.5
321.08783	0.9
323.10443	1.3
323.14026	0.6
324.11548	0.7
324.15051	1.5
325.12607	0.6
325.16110	0.7
326.12985	1.3
326.16522	0.9
327.13983	0.7
328.10831	1.9
328.14587	2.9
329.11807	0.8
329.15308	1.3
330.12741	0.7
330.16052	0.8
331.13205	0.4
335.10410	1.3
337.12375	0.8
338.12817	2.0
339.13773	1.5
340.11105	1.1
340.14774	2.2
341.11884	1.5
341.15680	0.5
342.12408	3.9
342.16150	1.1
343.13171	2.1
344.13983	2.2
344.17719	0.5
346.15680	0.6
351.13785	0.6
352.10721	0.5
352.14584	3.8
353.15225	1.3
354.12247	1.7
354.16104	1.4
355.13217	2.5
356.10355	0.5
356.13937	7.0
357.14713	3.2
358.11755	1.0
358.15540	1.9
359.12906	0.6
360.13232	0.5
360.17249	0.5
366.12335	0.9
367.13211	1.1
368.14038	1.6
369.11130	1.3
369.14801	1.4
370.11279	1.9
370.15796	3.3
371.12225	0.7
371.16556	2.1
372.13333	1.2
372.17352	2.3
373.14301	1.1
374.15225	0.5
375.15710	0.7
379.13223	0.6
380.13974	2.4
381.14508	1.1
382.11670	1.3
382.15884	3.4
383.12546	2.3
384.13290	6.0
385.13861	2.3
385.18140	1.2
386.15009	2.5
386.19250	0.7
387.16034	0.8
388.12543	0.7
388.16797	0.9
389.17685	0.5
395.12741	0.7
396.13425	1.2
397.14249	2.0
398.15100	6.6
399.15909	3.3
400.16843	6.6
401.13791	0.7
402.14212	1.8
403.15384	0.6
404.16339	0.6
408.13403	0.8
410.15414	2.0
411.12125	0.4
412.12653	2.2
413.13513	1.2
414.14075	1.2
414.18884	2.3
415.15125	0.4
416.16174	2.7
417.16931	1.0
424.13101	0.6
425.13614	0.7
426.14429	6.2
427.15262	0.9
428.16104	7.4
430.13950	1.0
430.18906	0.5
431.14978	1.2
436.13113	0.6
442.18417	6.8
443.14899	1.1
444.15518	5.3
445.16223	0.5
454.13965	24.6
455.14590	0.5
458.17108	1.4
460.19437	5.3
464.18182	0.9
468.15659	0.8
472.15036	42.2
473.15347	1.1
474.16602	8.0
474.22778	0.6
476.18195	1.0
486.16592	2.7
492.17664	35.2
493.17215	0.5
504.17633	16.3
505.17953	0.6
506.18573	0.6
510.18805	0.6
518.19073	0.6
520.21051	0.7
522.18848	2.6
579.22467	1.1
597.23541	0.5
607.21808	5.9
611.24982	3.8
621.23407	0.5
625.22919	23.8
626.22864	0.9
629.25812	1.1
639.24512	21.2
640.25043	0.5
643.24146	1.1
645.25256	0.4
657.25531	100.0
658.25903	2.4
675.26495	6.3
782.54236	0.4
787.27728	1.1
801.29199	0.8
819.30383	2.2
837.32037	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	838.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	1.0
67.82526	0.5
69.03434	5.0
69.92159	2.0
69.92564	0.8
70.06590	0.7
73.02512	0.4
73.02910	1.1
77.85501	0.5
79.05489	1.9
81.03403	3.0
81.07043	0.6
82.02949	0.5
84.08144	0.7
85.02908	4.6
85.79374	0.5
87.04481	0.8
91.05469	1.1
95.04969	1.0
95.92149	0.5
96.04504	1.5
97.02884	2.9
99.04446	0.6
101.02395	0.6
105.03362	0.7
105.07037	1.8
107.04978	1.8
108.04463	1.1
109.02882	2.8
109.05254	8.5
110.40646	0.5
120.04491	2.0
122.06015	6.4
122.06828	0.8
123.04476	0.5
123.06816	0.8
126.05536	1.2
127.03951	1.5
131.04948	0.6
132.04526	0.6
133.05258	9.8
133.06496	4.0
134.06023	4.8
135.04401	3.6
135.06792	1.1
136.07607	1.3
139.03908	1.8
143.96033	0.5
145.02899	1.2
145.04974	0.6
145.06544	0.5
146.06010	25.1
147.04436	0.6
147.06822	1.9
148.07639	1.0
149.05983	0.9
150.05560	0.7
151.03902	0.6
157.15306	0.5
159.06801	2.6
160.07568	4.1
161.05978	3.1
161.08322	1.0
162.05476	0.5
162.09113	1.2
163.03963	1.8
165.05525	2.0
167.07095	1.2
170.06064	0.9
171.06805	0.9
172.07567	3.3
173.08421	0.7
174.09140	19.3
177.05528	2.3
177.68355	0.5
183.06859	0.7
184.07545	1.9
185.08234	0.7
186.09123	4.2
187.09947	1.9
188.06998	2.7
188.10690	1.4
190.08664	1.0
190.12267	1.3
193.08508	0.7
195.06529	0.5
196.07574	1.7
197.08377	1.5
198.05495	1.2
198.09135	3.8
199.06287	0.8
199.10036	0.5
200.07022	2.5
200.10687	3.4
201.11577	0.6
202.08713	1.5
202.12210	0.7
204.06636	1.6
210.09195	1.4
212.07248	0.6
212.10754	1.4
214.08554	2.6
214.12335	0.7
215.09476	2.8
216.06625	1.9
216.10214	3.4
218.08231	1.9
218.11745	0.8
222.09102	1.0
223.06238	0.7
224.07083	1.2
224.10747	0.7
225.07872	1.9
226.08667	3.4
227.09422	0.8
228.06538	1.3
228.10205	1.5
230.08191	0.9
230.11879	2.0
232.09819	0.6
238.08673	1.3
238.12282	0.6
240.06685	0.8
240.10239	1.9
242.08095	8.0
242.11865	0.8
243.08971	1.8
244.09755	1.1
246.11298	0.8
247.12077	4.4
252.10359	0.8
253.07445	2.2
254.08061	5.0
256.09656	2.5
258.11267	4.0
259.12079	0.6
260.12930	0.7
264.10165	1.0
266.08047	1.3
268.09753	0.9
270.07684	2.3
270.11520	0.7
271.08481	1.8
272.09265	1.5
274.10742	5.9
275.11569	1.0
276.12518	1.0
282.11041	0.7
284.09192	4.5
284.12222	0.7
285.10190	0.8
286.10742	5.7
288.12491	2.1
292.09787	1.0
298.10941	0.9
300.12329	1.1
302.10254	5.3
302.13553	0.8
303.10950	1.6
304.11771	3.3
306.11398	1.1
316.11829	9.8
330.13586	0.7
332.11508	1.6
334.10843	1.2
348.16547	0.6
352.11829	0.8
362.10425	1.2
378.15366	1.2
380.11264	6.4
380.15128	0.6
384.14487	1.9
394.12610	0.7
404.15347	0.5
412.13879	24.8
414.15338	1.5
422.16089	2.3
432.13937	2.4
436.17572	1.9
444.16492	5.4
446.16290	0.7
450.15546	5.5
454.18640	5.3
464.17133	7.8
465.16486	1.7
466.16626	0.7
478.16983	7.5
482.18079	11.7
486.21570	1.7
496.19739	5.8
514.20923	6.1
518.20032	0.7
574.19122	24.1
575.19690	0.7
598.22791	1.1
606.21777	19.3
616.24103	1.2
626.22736	2.6
644.23389	12.8
648.26868	0.7
658.24982	4.5
676.25916	34.9
677.26489	0.9
806.28491	3.8
838.31201	100.0
839.31244	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	838.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20281	0.5
61.02930	2.8
65.03923	1.0
67.05504	4.2
68.02621	1.8
69.03428	11.9
70.06582	3.3
70.84733	1.0
71.01328	0.7
71.04977	1.5
73.02902	1.8
79.01846	1.8
79.05489	4.5
81.03423	6.0
83.04981	5.5
84.04465	0.7
84.08117	0.8
85.02905	15.4
86.09711	1.1
87.04462	1.3
91.03954	1.0
91.05473	2.4
93.07049	1.1
94.04189	0.6
95.04387	1.0
95.04965	14.9
97.02318	0.7
97.02898	9.2
97.06516	1.0
98.06055	1.0
99.04471	1.0
101.79375	0.5
103.05456	1.0
105.03383	1.9
105.04520	1.2
105.07010	0.9
107.04963	3.4
107.08586	0.6
108.08129	0.8
109.02873	4.4
109.06496	1.7
111.04438	8.3
115.05492	0.8
119.04882	0.6
120.08121	1.6
121.06512	0.8
122.03636	0.8
123.04438	7.7
124.07523	0.6
125.02342	0.7
127.03929	2.8
131.04939	1.1
133.02832	2.5
134.09657	0.9
135.04427	2.2
136.07565	1.6
137.05972	2.6
138.09128	0.6
139.03903	100.0
140.04260	3.0
140.47708	0.5
141.05478	0.5
145.04990	1.3
147.04393	1.0
148.07594	2.4
148.11197	1.4
149.05907	0.8
149.08336	1.3
150.09087	1.0
151.03918	7.4
155.03391	0.6
156.08116	0.7
158.09647	1.1
160.07626	2.0
161.08345	1.5
162.09129	3.6
163.03824	0.7
165.05478	61.1
166.05923	0.7
167.07144	0.9
168.08115	0.6
170.09660	0.9
172.11176	3.2
173.08403	1.1
173.11769	0.8
174.09102	2.2
175.03949	1.2
175.09920	1.8
176.07101	1.3
176.10693	9.0
177.05577	0.7
182.09601	1.0
183.06531	1.5
184.07625	0.7
184.11227	2.4
186.09094	4.2
188.07059	1.1
188.10788	1.3
189.05453	0.8
190.08641	1.0
194.09647	3.4
198.09148	5.5
199.09937	1.3
200.10759	2.8
202.08652	4.4
202.12285	2.4
203.09026	1.6
204.10324	1.0
208.11143	0.6
210.09167	1.4
211.09879	1.2
212.07414	0.7
212.10704	12.3
212.12579	0.9
214.08626	2.9
214.12248	1.2
215.09250	0.6
216.10220	1.2
218.08109	1.5
222.09087	0.9
224.10783	1.7
226.08681	1.6
226.12355	2.6
227.09441	1.6
228.10199	3.7
230.11681	2.5
236.10738	1.7
238.08708	2.1
238.12175	0.6
240.10339	2.6
242.08188	2.1
242.11380	0.7
250.08693	0.7
250.12285	1.2
252.10176	1.6
254.08089	1.3
254.11745	4.2
255.08870	1.1
256.09631	3.7
258.11154	1.1
259.09677	0.7
260.10745	1.0
262.12360	0.9
264.10251	2.1
264.13766	0.5
266.08414	0.9
266.11697	1.3
268.09808	2.2
269.10385	0.6
270.11230	2.0
272.13055	1.0
276.09985	0.7
278.11746	1.5
280.09805	0.8
280.13275	0.7
282.07974	1.0
282.11194	6.7
286.10828	2.4
287.11087	1.4
290.11621	1.2
298.10822	1.3
299.11151	0.6
300.12302	5.7
302.13971	0.7
303.14117	0.6
304.12015	0.6
304.15582	1.2
306.11185	1.9
307.11969	1.2
311.10480	0.7
314.13925	6.9
316.09518	1.2
316.12936	0.7
318.13504	7.7
323.10117	0.8
330.13303	7.9
331.13669	5.7
332.14935	24.6
333.15134	0.7
334.10785	1.8
338.13837	1.2
344.09158	3.9
344.12628	0.6
350.13855	0.7
356.14703	0.8
360.14288	1.3
362.10187	5.1
362.13922	0.8
364.11768	0.8
366.13141	0.8
374.16006	1.3
376.15729	0.9
383.12805	1.1
386.13803	0.9
391.91882	0.5
394.12665	5.5
404.15070	1.1
408.14194	1.3
412.13873	8.1
418.16330	0.8
426.15619	1.9
432.14548	1.7
436.17523	0.8
444.16635	1.2
446.15869	3.7
464.17020	7.8
468.19821	0.8
478.18649	1.4
480.18436	4.5
481.18359	1.2
482.18182	1.8
491.21393	2.8
492.18066	7.6
493.19031	11.1
494.20190	30.4
495.19711	0.9
496.19528	8.6
514.20587	10.7
536.21136	0.9
574.19061	9.8
603.06409	0.6
606.22321	2.5
626.21735	2.5
642.21765	1.0
643.21948	1.1
644.23254	6.4
656.25519	11.7
656.35828	1.0
658.24921	6.7
674.24042	0.6
675.24530	3.6
676.25940	29.6
677.25879	0.7
682.25977	0.9
683.25812	1.4
806.28052	1.8
838.31165	38.0
839.31348	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	838.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05048	0.6
69.03426	0.8
70.06594	53.7
71.04994	1.4
71.48878	0.6
72.08143	0.6
75.05606	9.1
77.03924	0.4
79.05478	0.3
81.03388	0.6
81.07072	0.4
82.06588	0.4
83.06107	1.7
84.04507	30.2
84.08142	0.6
85.02903	1.5
85.04050	0.5
85.07667	1.7
86.09718	0.6
91.05482	7.7
93.07072	0.8
95.06087	2.3
96.04514	1.8
96.24932	0.4
97.02911	0.5
97.07636	2.1
98.06068	0.9
98.97595	1.1
99.05531	0.4
99.85185	0.3
100.07557	0.5
101.07143	12.1
102.05546	3.2
103.05455	1.8
105.07027	1.0
106.06570	0.3
107.04957	2.2
109.06532	0.7
109.07643	0.4
112.08729	23.0
113.07135	4.8
114.05496	0.4
114.10310	0.6
115.08696	8.9
115.09483	0.7
115.20099	0.3
116.98621	1.2
117.53487	0.3
118.06564	0.6
119.04950	4.9
119.08569	0.7
120.08106	28.9
121.06538	0.6
123.05554	0.5
124.03948	1.8
124.08716	1.4
125.07158	0.9
125.58184	0.4
127.03963	1.1
129.06601	4.6
129.10254	0.5
130.05009	1.1
130.06482	0.4
131.04944	0.7
131.08556	0.7
132.08090	1.3
136.07579	73.4
137.05922	0.5
137.41125	0.4
139.03937	0.6
140.08229	1.8
141.06578	3.6
143.08562	0.7
146.06041	0.8
147.04417	1.6
148.07584	2.8
148.08659	0.7
151.05046	0.8
152.03432	2.9
152.08168	2.1
153.06621	0.6
157.10901	0.6
158.06049	0.4
158.10912	0.7
158.99690	0.7
159.07736	0.7
160.07610	1.0
161.10718	0.4
164.07147	0.6
167.08203	1.0
168.07852	0.6
169.06084	7.9
169.07451	0.6
172.11172	0.6
173.13263	3.5
174.13644	0.9
175.08620	0.5
176.07181	1.2
177.00787	1.1
177.10240	2.7
181.09772	1.1
186.08743	6.2
187.07147	2.7
188.10785	0.7
193.09738	16.8
195.07646	2.2
197.08144	0.7
197.10544	0.5
199.12347	0.6
200.10747	0.7
203.08260	0.9
205.09711	3.2
212.10362	1.5
213.08755	1.3
215.08195	1.5
216.10342	0.5
216.15018	1.7
217.13432	1.5
219.01787	0.8
221.09239	3.6
222.12451	1.5
223.07201	1.3
224.10039	0.5
227.11746	0.4
230.11241	0.6
232.10814	0.4
233.12991	0.7
235.07213	0.6
237.02885	0.8
238.12372	0.7
240.09824	1.1
241.08195	3.7
242.12892	3.9
243.11186	0.7
244.14442	4.3
244.16602	0.5
245.12874	0.6
252.09837	0.9
253.08232	0.9
258.10776	0.8
259.15540	13.0
260.13925	0.5
261.12332	0.5
270.10541	0.5
270.12793	0.7
271.10818	0.5
272.14026	0.5
278.07941	0.4
278.15308	0.5
280.09296	0.7
281.07721	1.1
284.14001	0.4
285.12723	0.4
286.11685	0.7
287.10437	0.4
287.15100	2.1
288.13589	0.7
297.12100	1.5
298.10281	3.6
299.15121	0.4
300.13815	0.4
303.14459	5.1
304.12970	2.1
305.15863	0.4
315.13068	0.9
316.12683	0.5
316.17767	0.5
317.81549	0.4
325.12207	0.5
327.13373	0.5
332.12479	0.7
333.15656	0.5
337.11487	0.4
338.09946	1.2
343.13892	0.5
344.17413	0.6
348.88708	0.4
355.12491	0.8
360.16583	1.9
361.20047	1.3
377.01840	0.4
377.19476	0.5
399.16772	0.6
415.16174	0.8
425.15063	0.7
433.17642	0.6
444.23688	1.4
457.10193	0.5
471.19885	0.7
485.17047	0.5
489.21017	0.5
490.19461	0.6
573.27698	1.2
601.27222	0.5
718.33954	0.6
793.36151	0.8
810.39075	1.0
820.37634	0.7
821.35797	1.3
838.38422	100.0
839.38483	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	838.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.5
61.02933	2.7
65.03958	2.0
67.05505	74.2
68.33833	1.7
69.03423	6.3
69.07065	12.7
69.36151	2.2
69.36559	14.3
71.01361	2.5
71.04982	4.7
79.05489	29.7
81.03419	96.6
81.07054	32.9
82.67850	1.7
83.04984	11.8
83.08615	23.3
85.02896	9.2
85.06544	3.2
87.04452	3.6
91.05472	28.6
93.07040	19.0
95.04965	34.7
95.08593	16.3
97.02879	6.7
97.06535	6.7
97.10165	19.9
103.05453	2.3
105.07025	22.0
105.55781	1.9
107.04950	15.4
107.08595	18.5
109.06511	9.7
109.10155	51.6
109.10863	3.3
111.04437	4.8
111.08080	11.0
115.05412	2.4
117.07000	8.6
119.08593	20.7
121.06494	8.8
121.10152	14.5
123.04443	4.3
123.08048	5.0
125.05962	3.4
125.09626	14.5
129.05457	2.2
129.06992	10.5
131.08536	12.0
133.06491	4.3
133.10181	9.4
135.08049	4.2
135.11667	5.2
137.09612	6.2
145.10095	7.2
147.04425	5.4
147.08038	6.0
147.11707	12.1
149.09648	9.0
153.12737	6.0
155.10681	2.4
157.10147	8.2
159.08008	2.0
159.11670	1.9
161.09639	5.2
163.11183	10.8
165.12845	3.0
171.11678	2.3
173.09583	2.0
173.11745	17.3
173.13113	3.5
175.11169	13.1
181.12268	6.4
185.13333	2.3
189.11267	6.3
191.10664	5.2
191.14252	2.7
193.12227	35.6
199.13266	3.1
205.12265	2.6
209.09721	2.0
209.11700	7.5
211.13301	10.7
213.12857	2.1
217.14180	4.1
219.13820	4.8
227.12691	20.5
229.14340	47.7
231.13837	3.7
235.13289	4.6
247.13347	2.7
249.14842	6.6
256.26608	3.0
259.13333	5.4
267.15912	100.0
273.14987	4.1
273.18256	5.5
277.14227	2.1
283.15311	13.0
285.17017	2.6
301.16705	9.0
337.21362	2.0
356.37231	1.9
365.20926	2.2
367.22681	7.7
373.23724	3.6
383.22137	6.7
385.23651	7.0
399.23679	15.6
401.22922	8.8
421.25925	25.9
458.26706	12.3
459.27301	7.6
475.26779	14.2
476.27786	17.5
477.28510	3.1
493.27881	13.4
511.29126	4.8
518.32001	6.2
545.70807	2.3
566.53125	2.3
573.34363	3.2
591.35254	10.8
773.38770	2.0
812.63477	2.0
841.38745	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	839.334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42696	0.6
61.02921	1.0
63.42353	0.6
65.03945	0.7
67.05480	0.9
68.16448	0.6
69.03421	1.9
69.56282	1.6
69.56692	3.3
70.06576	1.8
72.59406	0.6
79.05493	1.2
80.04997	1.0
80.47729	0.6
81.03413	1.1
84.08141	0.6
84.54980	0.6
85.02904	3.0
86.09707	1.0
89.03907	1.0
91.05475	1.0
93.05801	0.9
93.07056	2.0
94.06562	4.7
95.07346	1.8
96.08142	5.9
97.02865	1.3
98.21615	0.7
106.06560	0.8
107.04911	1.3
108.04487	2.3
108.08114	8.6
110.06055	0.8
110.09679	6.1
116.04971	2.4
120.04473	2.8
120.08113	6.8
122.06040	6.7
122.09666	1.1
124.07581	6.1
127.03886	0.7
132.55853	0.6
134.06029	2.5
136.07576	10.2
138.05481	0.8
138.09134	10.7
144.04446	4.1
146.06013	5.9
147.88820	0.5
148.07570	4.5
150.09120	1.1
152.07089	2.3
160.03960	2.2
160.07558	1.5
162.05533	4.4
164.07109	1.6
166.08627	15.7
167.07121	1.3
172.03938	24.5
174.05533	2.2
176.07091	3.4
181.04919	0.9
185.10736	1.0
190.04987	19.0
197.07065	0.8
197.10771	1.1
199.08655	1.2
204.06560	45.2
205.06859	2.0
208.09996	0.7
209.10677	0.7
211.08740	1.7
211.12306	0.8
213.10188	3.2
214.10869	0.9
215.11876	2.5
223.08684	0.9
223.12323	0.8
224.09431	1.3
225.10236	2.7
226.08893	1.4
226.10944	1.5
227.08275	1.0
227.11748	1.6
235.08936	0.7
236.09514	1.3
237.10281	2.9
238.11047	1.4
239.11911	1.0
241.09634	3.7
243.11305	7.9
245.12852	1.0
249.10286	2.2
251.08269	0.8
251.11848	2.4
252.08887	1.2
253.09756	2.6
254.10338	0.9
255.11383	2.8
256.11945	1.1
257.09305	0.8
257.12845	2.1
263.08051	0.9
264.08984	2.6
265.09756	2.8
266.10443	1.1
267.11392	1.4
269.09332	3.3
269.12808	1.1
270.09799	0.8
271.10892	3.1
273.12396	3.6
277.09753	2.1
278.10556	1.3
279.08194	1.0
279.11163	4.2
280.12012	1.0
281.09082	0.9
281.12927	1.4
283.10785	4.7
285.12302	16.6
287.10242	6.5
295.10742	0.9
296.11475	1.0
297.12384	6.9
299.10385	2.0
299.13971	3.3
300.15222	0.9
301.11874	3.1
302.12769	2.1
303.13379	21.1
307.10681	1.7
309.12195	1.4
311.10342	1.3
313.11942	2.2
314.12842	1.0
316.11053	0.9
317.15317	1.4
318.15982	1.4
323.10248	4.7
325.11777	19.9
326.12381	1.0
327.13742	1.6
328.10837	1.1
328.14523	1.1
329.11621	1.0
330.12411	2.0
339.13422	1.2
342.12164	0.8
342.15991	0.9
343.12903	3.5
344.13983	2.2
345.14700	1.0
346.15540	2.6
347.16397	1.8
353.11395	0.8
354.12350	0.8
357.14420	19.8
358.11398	1.2
358.15417	4.3
359.16342	0.8
368.13937	1.2
370.12048	2.1
371.12540	3.0
372.13196	4.7
372.17181	0.7
373.14215	2.5
374.15073	1.9
376.16528	1.1
381.10696	1.0
384.13220	1.1
384.17612	0.9
385.14160	3.0
386.15048	8.1
387.15936	4.0
388.16632	0.8
392.16040	1.7
396.13412	1.0
399.10849	1.4
400.16898	1.0
401.13367	1.6
401.18094	0.7
402.14542	2.8
404.15833	3.5
406.17484	3.1
410.15372	1.1
413.13828	0.9
414.14404	10.1
415.15225	20.0
416.15866	1.8
417.16916	0.9
418.17776	2.2
420.15576	3.6
428.16135	2.7
430.17850	2.9
431.15381	0.7
432.15463	12.1
433.15958	1.1
434.17007	1.1
438.16348	2.3
444.15521	2.7
445.16312	0.7
446.16968	4.5
456.15405	6.8
456.21002	0.8
458.16730	0.7
461.15872	0.8
462.16510	7.2
474.16580	24.0
476.18222	1.0
487.17072	7.8
488.17798	0.9
494.19189	1.8
506.19263	9.2
519.20032	1.4
557.23932	1.1
563.22833	0.8
567.22449	1.0
581.23737	1.4
583.25275	1.0
585.23596	3.7
599.24957	1.3
609.23407	4.8
627.24445	100.0
628.24884	4.7
641.25836	2.4
659.27069	23.1
677.28381	0.9
771.28345	1.3
789.29730	20.0
821.32562	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	840.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.4
65.03947	0.5
67.05501	1.9
68.02620	0.6
69.03427	5.5
69.66394	2.9
70.06593	3.6
71.04996	1.8
72.08169	0.5
73.02927	1.1
79.01864	0.9
79.05489	2.4
80.09181	0.5
81.03416	3.3
81.07034	0.5
83.04977	1.4
84.08119	0.6
85.02908	8.8
87.04475	1.9
91.03944	0.6
91.05495	1.3
95.04968	5.7
97.02885	4.6
98.06061	1.7
98.20734	0.5
98.97573	0.6
99.04462	1.0
100.27962	0.5
101.02396	0.7
105.06989	0.5
107.04943	4.7
108.08135	1.0
109.02879	2.2
109.06519	0.8
111.04430	3.0
116.98593	0.5
119.04975	0.5
120.08147	1.7
121.06540	0.9
121.08918	0.6
122.09671	1.1
123.04453	2.2
125.02351	0.9
127.03934	2.1
128.98666	0.5
133.02849	0.6
134.09641	2.9
135.04413	2.6
136.07608	0.6
137.05972	1.1
139.03900	46.1
140.04242	1.0
141.05536	0.5
145.02841	0.6
145.04980	0.8
146.06036	0.7
146.09657	2.4
147.04465	1.1
147.08040	0.6
148.07576	0.9
148.11235	1.8
149.08357	0.9
149.11993	0.6
150.09163	3.3
151.03908	4.8
153.05609	0.7
155.03334	1.1
158.09680	1.3
159.04390	0.5
159.10481	1.2
160.11209	4.4
162.09157	1.4
163.03931	1.4
163.09911	0.5
164.10764	2.4
165.05475	13.4
165.11545	1.3
170.09697	1.3
174.09151	2.3
176.10716	6.9
177.05464	1.4
177.11490	1.4
178.12274	7.6
178.13750	0.6
184.11211	0.9
186.09163	1.1
186.12819	0.8
187.07603	1.6
188.07040	0.7
188.10779	1.6
189.05409	0.4
190.08582	0.6
193.12248	0.5
195.06613	1.3
196.11285	0.5
198.09164	0.9
200.10632	0.9
202.08699	1.2
202.12357	1.0
204.13882	1.1
212.10657	2.5
213.07663	0.6
214.08675	0.6
214.12334	1.9
216.10324	0.6
216.13699	0.6
218.08049	2.2
220.09630	2.4
224.10822	0.7
226.12219	0.5
228.10286	1.2
228.13811	0.6
229.10658	0.6
230.11884	0.8
232.13402	1.3
237.00641	0.6
237.02887	0.7
238.12294	0.9
240.10139	2.3
242.11786	0.8
244.09753	0.5
244.13284	0.5
246.11255	1.0
254.11800	0.8
256.09686	0.8
256.13446	0.9
258.11304	1.0
266.11813	1.7
267.06458	0.6
270.14792	0.6
272.12918	1.4
274.14490	0.5
278.05548	1.0
278.13892	4.3
279.14288	1.7
282.11276	0.9
284.12878	1.5
290.11664	0.8
294.11356	1.0
298.14487	1.2
300.12402	1.4
302.13776	1.0
304.15396	0.9
312.12485	0.9
314.14093	0.5
316.15378	5.4
316.18304	0.5
317.16321	0.5
318.13531	1.4
320.14920	2.9
332.14935	13.3
333.15533	0.9
334.16464	7.8
336.12451	0.8
344.15320	0.5
346.10736	0.8
350.13776	0.6
362.15906	4.2
364.11749	1.3
368.15051	0.6
382.12659	0.9
396.14362	3.1
400.16727	0.5
414.15436	9.3
414.20374	0.6
415.15796	0.7
428.16891	0.9
440.19196	4.4
441.19412	4.5
446.18115	1.8
466.18582	1.6
478.21176	1.4
480.19818	1.6
482.20297	1.7
484.19980	0.8
495.20978	1.3
496.21637	4.2
498.21002	2.4
516.22272	1.6
518.48590	0.5
555.11188	0.7
558.19952	1.7
576.20807	11.3
608.23218	2.2
658.26752	1.5
660.26489	1.6
678.27234	4.8
738.18982	0.6
822.31830	1.6
840.32825	100.0
841.33301	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	840.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.7
67.05509	1.9
68.02646	0.7
69.03432	7.4
70.06600	1.0
71.04987	2.4
71.06983	1.0
73.02929	1.0
79.01877	0.6
79.05501	1.5
81.03420	3.6
82.06590	0.5
83.04984	2.0
85.02909	9.3
87.04467	0.8
87.63598	0.4
89.80901	0.4
91.05488	1.4
94.06587	0.5
95.04969	5.6
97.02898	5.3
98.06074	1.2
99.04449	0.8
100.80963	0.4
103.05505	0.4
105.03362	0.6
105.04510	0.5
107.04964	1.6
107.53618	0.4
108.08148	0.7
109.02858	2.0
111.04448	3.2
118.06596	0.4
118.97699	0.4
119.04991	0.6
119.55120	0.5
120.08121	2.5
121.08913	1.0
122.09721	1.7
123.04468	1.8
125.02419	0.6
127.03943	1.9
128.06221	0.4
131.04913	0.4
131.08603	0.4
132.08109	1.0
133.06488	0.7
133.08908	0.7
134.09647	3.5
135.04417	3.0
136.07549	0.8
137.05992	1.0
139.03906	53.2
140.04262	1.4
144.08145	0.8
145.05046	0.5
145.08923	0.5
146.06026	0.5
146.09648	2.6
147.04469	0.5
147.08107	0.5
147.10440	0.9
148.07626	1.4
148.11227	1.7
149.05966	0.4
149.08368	0.4
149.12021	0.8
150.09135	4.0
151.03914	1.8
155.03406	1.8
156.08058	0.4
158.09695	1.6
159.04483	1.0
159.08121	0.5
159.10504	1.7
160.04834	0.5
160.11217	5.4
162.09219	1.8
163.03928	0.8
163.09874	0.7
164.10722	2.7
165.05493	13.4
165.11559	2.1
165.12827	0.4
166.05830	0.9
170.09677	2.3
171.10463	0.7
174.09181	1.9
176.10721	9.0
177.05591	0.9
177.11505	2.6
178.12286	10.4
178.13759	0.7
183.10411	0.6
184.11317	1.2
186.09172	1.0
186.12886	1.3
187.07571	0.9
188.10684	2.4
190.08691	1.3
190.12201	0.6
196.11311	0.8
198.09120	1.1
198.12900	0.6
200.10796	1.0
201.11545	0.5
202.08760	1.1
202.12309	1.0
203.91597	0.4
204.13954	1.8
206.11847	0.6
212.10765	1.9
214.08698	0.5
214.12187	2.5
216.10338	0.8
216.13840	0.4
218.08191	2.7
219.01736	0.5
219.08878	0.5
220.09811	1.5
222.12885	0.4
224.07138	0.5
224.10674	0.9
226.08629	0.5
228.10303	1.3
228.13898	0.7
230.11842	0.9
232.13379	0.8
236.10828	0.6
237.02936	0.5
238.08688	1.0
238.12398	1.4
239.07166	0.7
240.10139	2.0
242.11818	0.9
244.09650	0.9
244.13425	0.5
248.10716	0.8
254.11861	1.4
256.09714	0.9
256.13379	1.6
258.11362	0.9
258.14890	0.7
260.13077	0.5
262.12311	0.7
264.10297	0.8
266.11761	3.1
268.09747	1.0
270.15018	0.6
272.12857	1.6
274.14548	0.8
276.10159	0.6
280.13315	0.6
282.11301	0.9
284.12906	3.0
286.14493	0.7
288.15961	0.8
290.11542	0.6
294.11346	1.3
298.14453	1.2
300.12540	1.3
302.13959	1.4
304.15549	1.5
306.17136	0.8
308.12863	0.9
312.12405	2.5
314.13898	1.5
316.15442	6.8
317.16022	0.5
318.13406	1.9
320.15137	1.9
332.14896	17.2
333.15469	1.2
334.16489	9.5
334.20239	0.6
336.12259	0.6
344.15207	0.8
346.10767	1.0
354.13132	0.5
362.11212	0.8
362.15976	5.3
364.11871	2.6
368.15067	1.1
378.13458	0.8
382.12949	1.5
396.14444	3.8
410.16190	0.5
414.15445	11.2
414.20526	0.7
415.15848	0.5
428.17120	1.1
446.17697	1.9
448.17703	0.7
466.18896	1.3
478.20648	2.4
480.19492	2.0
482.19931	1.1
484.19733	0.5
495.21039	1.8
496.21713	4.0
498.21002	2.3
516.22015	1.2
558.19885	1.4
576.20721	12.7
586.56757	0.5
608.22992	0.9
646.24670	0.9
658.27045	1.2
660.26544	2.0
678.27484	4.1
822.31781	1.2
840.32788	100.0
841.32532	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	854.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	8.3
65.03940	1.6
65.15373	0.5
66.99434	0.5
67.05139	1.1
67.05505	21.2
69.03425	6.0
69.07074	6.2
70.06589	1.4
71.04991	4.4
72.08152	0.5
72.52859	0.5
73.02921	3.2
76.13078	0.4
77.03944	0.6
79.05493	20.8
81.03418	73.5
81.07054	24.2
81.07543	0.8
83.04979	16.4
83.08620	26.5
84.04484	0.5
84.08129	0.6
85.02906	32.1
85.06543	2.0
86.09723	0.6
87.04471	0.6
91.03960	6.1
91.05481	31.2
92.30347	0.4
93.06428	0.5
93.07041	17.6
95.04967	30.2
95.08607	8.9
97.02892	8.6
97.06527	4.8
97.10173	4.0
98.20779	0.8
99.04462	0.7
99.08083	1.3
101.83289	0.4
103.05439	0.8
105.07032	22.4
107.04956	8.8
107.08581	7.4
109.02851	0.9
109.06520	4.6
109.10152	3.7
111.04466	2.5
111.08076	10.5
112.54354	0.4
113.06004	2.8
115.05409	1.1
117.06985	2.5
119.04925	0.7
119.08584	19.9
121.06528	2.2
121.10152	9.6
123.04402	0.5
123.08097	2.6
123.11692	2.2
125.05955	0.6
125.09660	1.4
127.03896	2.7
127.07557	1.0
128.06171	0.5
129.07004	12.8
131.08566	12.5
133.06528	2.9
133.10124	12.1
135.08051	0.8
135.11696	0.6
137.05951	0.7
137.09630	2.2
139.03882	0.5
141.06975	0.5
142.07811	3.1
145.04959	2.2
145.06551	0.7
145.10109	2.5
146.55675	0.5
147.08046	4.3
147.11685	16.0
149.09615	7.8
151.07690	0.7
151.11180	0.8
157.10133	16.7
163.06046	1.7
163.11200	1.2
164.11510	0.4
165.05537	0.9
165.12773	4.0
167.07057	0.8
175.11186	18.5
183.13599	0.5
193.12244	54.2
199.11078	0.5
211.13290	83.3
212.13629	0.6
229.14346	0.7
233.15247	0.6
249.14835	1.1
253.13936	0.5
255.13742	0.5
267.15918	46.8
270.79065	0.5
273.14755	0.8
285.16962	82.4
286.17233	1.0
349.21469	1.2
367.22617	3.3
385.23767	5.2
403.24832	1.7
405.24316	0.5
429.21237	0.7
433.26035	2.3
441.26328	2.3
459.27435	35.1
477.28494	35.6
478.28452	0.9
495.29535	100.0
496.29932	1.5
639.33228	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	855.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87003	0.4
67.05484	1.0
69.03411	1.6
69.33456	1.1
69.33875	3.1
70.06606	2.6
72.08140	0.8
73.49414	0.4
79.05498	0.6
81.03393	0.6
81.07058	0.5
82.06558	0.4
84.08148	1.0
84.58301	0.3
85.02911	2.2
86.09682	0.8
90.63204	0.4
91.05460	1.2
93.07057	0.6
94.06535	1.4
95.07338	0.4
96.08096	1.4
97.02882	0.9
97.06546	2.0
98.20811	0.8
106.06543	0.7
108.04471	0.9
108.08139	2.1
109.02847	0.5
110.06046	1.0
110.09670	2.4
116.04947	1.3
116.98415	0.4
119.04940	0.4
120.04445	0.7
120.08112	2.2
120.69563	0.4
121.06470	0.7
122.06026	5.1
124.07603	2.2
131.39153	0.4
132.08116	0.7
133.10109	0.4
134.05984	0.9
136.07559	5.2
137.05943	0.6
138.05545	0.9
138.09140	2.8
144.04431	4.2
144.08049	0.5
146.05966	2.2
147.04387	0.5
148.07542	1.6
149.07108	0.8
150.05476	2.4
150.09122	0.5
152.07050	2.4
158.09631	0.6
160.03836	0.5
160.07542	1.7
160.09947	0.5
162.05519	2.6
162.09142	0.5
164.07056	1.5
164.28769	0.4
165.05527	0.5
166.08643	5.5
168.07985	0.4
170.09659	1.2
172.03937	25.1
173.04463	0.5
173.10735	0.5
174.05505	0.6
175.08653	0.4
176.07092	0.5
181.04749	0.4
184.07571	0.6
184.11273	0.6
185.08348	0.6
186.09154	4.4
187.08685	1.5
188.09377	0.7
189.05501	1.0
190.04991	3.5
196.07568	0.8
196.09897	0.8
198.09151	1.2
200.07159	0.7
200.10641	1.2
201.10214	0.7
202.08794	0.6
202.11028	2.3
203.11816	5.7
204.06560	38.0
205.06816	0.4
206.08264	1.8
211.08662	1.1
211.12300	0.7
212.07137	0.4
213.10168	2.5
214.08636	10.1
215.08141	4.3
215.11655	0.6
217.09708	1.0
221.10817	0.8
224.09238	0.6
225.10182	1.1
226.10863	0.5
227.08235	0.8
227.11829	1.7
228.10237	4.0
229.09706	2.0
229.13164	0.5
230.10457	1.4
231.11267	5.9
237.10110	0.9
238.10860	1.0
239.08151	0.7
239.11809	4.2
240.08850	0.6
241.09720	2.5
241.13260	0.7
242.08122	2.6
243.11244	0.6
245.09332	1.2
245.12880	1.2
247.10799	1.4
249.66948	0.4
251.11778	0.7
252.09215	0.4
253.09717	1.2
253.12669	0.4
254.10524	0.7
255.08769	0.5
255.11305	5.8
256.09628	3.3
256.11957	0.9
257.09216	1.6
257.12891	3.0
258.09952	1.1
259.10785	80.8
260.10986	2.2
265.09720	1.3
267.11298	6.3
269.09518	0.5
269.12851	0.9
271.10803	1.2
272.11520	1.5
273.12308	7.5
279.11285	0.8
281.09189	0.7
283.10794	4.8
285.12360	5.4
287.10522	0.8
287.13840	1.7
295.10770	0.7
297.12375	0.9
299.10080	0.6
299.13824	0.7
301.11829	65.6
302.12091	1.4
303.13345	3.7
311.10278	0.8
313.11829	3.7
315.13177	0.9
318.11990	0.6
319.12881	100.0
320.13190	2.6
323.10049	0.7
325.11755	4.4
329.14929	1.1
335.12384	1.9
336.12854	0.6
337.13931	45.7
338.14249	1.3
339.09802	1.4
339.13565	0.5
341.11191	1.1
343.12836	1.0
357.10397	0.9
357.14481	11.3
358.15021	0.6
359.15952	0.9
371.12299	1.9
372.12607	0.7
373.13968	7.9
389.13327	0.6
449.18637	0.5
465.18411	0.5
487.17191	2.0
496.17227	0.5
519.19318	1.1
536.20026	1.0
599.24738	0.4
625.22296	1.5
643.24030	1.9
657.25110	1.3
661.24933	2.4
675.26648	2.3
693.26678	0.7
823.30200	0.9
855.33014	4.8
856.32446	0.8
882.14844	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	855.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	0.9
70.06566	1.1
71.49064	0.5
72.08123	0.3
79.05453	0.9
80.05026	0.3
81.03399	0.4
82.06570	0.4
84.04467	0.3
84.08122	0.5
84.87988	0.3
85.02870	0.9
87.04405	0.3
89.03933	0.4
91.05455	0.5
93.05737	0.3
93.07030	0.9
94.06570	0.9
95.04935	0.8
95.07324	0.3
96.04458	0.3
96.08113	1.0
97.02893	0.6
97.06515	1.2
107.04945	1.3
108.04462	0.8
108.08085	1.2
109.02862	0.7
110.06016	1.1
110.09693	2.0
116.04958	1.2
118.06573	0.4
120.08096	1.4
122.06026	4.3
122.09731	0.3
124.07582	2.6
129.03644	0.3
129.10246	0.5
134.05989	0.6
136.07561	3.1
137.06012	0.4
138.05490	0.6
138.09116	2.3
139.03896	0.6
140.07037	0.3
144.04449	3.7
144.08063	0.4
146.05983	1.2
148.07561	1.1
149.07118	0.6
150.05473	1.7
150.09102	0.5
152.07095	2.5
158.09668	0.8
158.50479	0.2
160.07568	0.8
160.09949	0.3
162.05492	2.0
164.07111	0.7
165.05461	1.2
166.08624	4.1
166.22021	0.2
167.07053	0.3
168.06656	0.3
170.09619	0.8
172.03926	21.4
172.07494	0.7
172.11128	0.3
173.04295	0.4
174.05612	0.6
174.09166	0.4
175.08679	0.7
175.12312	0.8
176.06996	0.8
177.00452	0.2
177.05350	0.4
178.04964	0.4
184.11166	0.3
186.09128	4.7
187.08641	1.0
188.07025	0.8
188.09367	0.6
189.10300	0.5
190.05005	3.9
196.07564	1.0
198.09132	1.2
200.07155	0.3
200.10750	1.8
201.10275	0.8
202.08554	0.8
202.10989	2.5
203.11787	5.5
204.06552	35.6
205.06940	0.9
209.08078	0.8
210.09073	0.3
211.08633	0.4
212.07152	0.5
212.09151	0.3
213.10207	2.1
214.08640	9.4
215.08148	5.5
215.11404	0.3
216.08810	0.9
217.09727	1.1
224.07082	0.3
227.09637	0.4
227.11780	1.1
228.10207	4.1
229.09761	2.2
229.13193	0.5
230.10474	1.2
231.11227	6.3
237.10265	0.5
238.08525	0.3
239.08093	0.4
239.11870	0.6
240.08795	0.4
241.09650	2.5
242.08116	2.2
243.11237	0.5
245.09178	1.1
245.12843	1.0
246.09904	0.5
247.10686	1.5
251.11908	0.3
253.09682	0.3
255.11226	5.3
256.09631	3.2
256.12006	0.3
257.09302	1.0
257.12762	2.0
258.09995	0.6
259.10770	83.7
260.11023	1.4
267.11258	0.8
271.10748	0.7
273.12308	7.9
279.11148	0.4
283.10788	3.8
284.09235	0.4
285.12271	0.7
287.10254	0.3
297.12088	0.7
301.11807	70.0
302.12186	1.5
307.10782	0.3
317.11346	0.5
318.11813	0.4
319.12869	100.0
320.13187	1.8
325.11798	4.4
329.15018	0.5
335.12283	1.2
337.13919	41.8
338.14249	0.7
339.13522	0.4
343.12723	0.8
357.14435	8.9
358.15073	0.4
367.69165	0.3
373.14331	0.3
486.16345	0.6
487.17038	2.5
504.17261	0.5
519.19727	0.8
633.52411	0.3
643.24585	0.5
657.25140	1.0
661.25006	0.4
675.26721	4.0
692.26538	0.3
693.25867	0.4
837.31268	1.5
852.19849	0.3
855.31396	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	856.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	2.4
65.03911	0.6
65.97256	0.5
67.05487	2.0
68.02632	1.2
69.03431	9.8
69.45678	4.2
70.06586	1.4
71.04988	0.9
73.02908	1.7
77.03929	0.5
79.01855	1.1
79.05489	2.5
80.05029	0.6
81.03419	3.7
81.07055	0.6
83.04994	2.4
85.02910	11.9
87.04482	4.7
91.03986	0.5
91.05464	1.1
93.03334	0.5
94.06567	1.4
95.04968	8.6
97.02897	6.6
99.04475	1.2
101.02399	0.6
105.03396	1.1
106.06546	1.3
107.04964	1.2
108.08099	1.6
109.02873	3.3
109.06529	0.9
111.04459	5.2
118.06505	0.7
120.08087	1.0
123.04449	3.4
124.07588	0.8
125.02332	0.9
127.03934	3.2
129.07048	0.6
132.08121	1.1
133.02890	0.8
134.09723	0.5
135.04411	2.9
137.05995	1.7
138.75653	0.5
139.03906	72.0
141.05524	0.8
141.83516	0.5
144.08086	1.5
145.06668	0.6
146.09631	0.8
147.04463	0.6
148.07562	1.4
148.11240	1.4
150.09122	0.7
151.03862	3.0
155.03415	1.6
156.08055	0.8
158.09714	0.7
159.04469	0.6
160.07469	0.6
161.08290	0.5
162.09114	3.5
163.03909	0.8
165.05479	26.4
166.08656	1.2
168.08130	0.6
174.09114	3.2
175.09935	1.8
176.10704	9.8
177.05493	1.2
180.10201	0.7
181.11011	1.1
184.11221	1.1
186.09198	2.5
187.07555	0.6
188.07115	0.8
188.10712	0.9
190.08694	2.4
192.10188	1.0
194.09758	1.5
194.11812	6.8
196.11353	0.5
197.06143	0.8
198.09172	2.8
199.09923	0.7
200.10675	1.9
202.12332	1.0
204.10176	1.0
210.09204	1.5
211.10150	0.9
212.06961	0.7
212.10695	5.2
216.10271	1.2
218.08130	4.0
220.11334	0.6
220.13364	1.4
226.08716	1.1
226.12335	1.2
228.10190	3.4
230.11705	2.6
236.10785	1.1
238.08710	1.7
239.11778	0.6
240.10248	1.2
242.08112	1.0
244.09651	1.1
244.13507	1.1
244.39980	0.6
248.12892	0.7
252.10168	0.8
254.11929	2.5
255.08899	1.2
256.09787	2.2
256.13464	0.6
258.11340	1.1
264.10205	1.4
266.08078	0.9
266.11871	0.6
268.09763	0.9
270.11136	0.7
272.12939	0.6
274.10666	1.0
282.11185	3.0
284.09473	0.7
286.10770	1.0
288.12576	0.7
290.11612	0.6
292.09830	0.8
300.12253	3.1
302.14038	1.5
304.12207	0.7
304.15591	1.1
306.11359	1.6
308.12668	0.8
314.13818	2.9
316.12192	0.8
318.13617	3.3
330.13333	5.3
332.14908	12.6
334.10718	1.8
336.14404	1.8
343.50238	0.6
344.09180	3.1
348.14417	10.5
349.14908	0.6
350.15973	7.5
352.11761	0.7
360.14755	1.0
362.10245	5.6
368.14914	1.2
378.15384	3.2
380.11365	1.1
394.12753	3.2
412.13864	7.1
412.18237	0.6
426.15527	0.6
430.14984	9.2
444.16385	0.8
462.18091	1.1
464.17746	1.3
480.18774	1.7
482.18008	1.4
494.20163	5.9
494.26169	0.6
496.20123	1.2
498.19687	1.9
512.21100	2.9
514.20746	1.8
532.22089	1.4
574.19568	2.3
580.79333	0.5
592.20306	10.2
624.22858	1.6
644.23718	0.7
656.25543	1.1
674.26294	1.0
676.26141	4.4
694.27167	5.1
838.31561	4.7
856.32330	100.0
857.32501	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	857.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	0.3
69.03404	0.5
69.07042	0.5
69.18340	1.4
69.18756	0.3
70.06594	1.3
72.08130	0.2
80.05002	0.3
81.03377	0.2
81.05211	0.1
84.08144	0.3
85.02879	0.5
86.09700	0.3
91.05431	0.2
94.06548	0.4
95.04945	0.7
96.04459	0.1
97.02894	0.3
97.06509	0.4
98.06027	0.3
98.21540	0.3
103.05460	0.2
107.04905	0.2
108.04483	3.2
108.08091	0.4
109.02858	0.2
109.03740	0.1
109.52073	0.1
110.09742	0.2
110.32520	0.1
112.07555	0.2
115.05355	0.2
118.06585	0.2
120.04455	0.3
120.08076	0.5
122.06037	0.9
123.04427	0.2
124.07565	0.4
129.06944	0.2
129.10229	0.3
131.04865	0.2
134.98465	0.1
136.07568	1.7
137.05962	0.2
138.05478	1.0
138.09137	0.4
140.07079	1.5
144.04445	0.2
146.05998	1.7
147.06743	0.3
148.03909	0.2
148.07585	1.1
150.05574	0.7
150.06546	0.2
151.03877	0.2
162.05544	0.2
164.07114	1.0
165.05441	0.5
166.04990	0.8
166.08604	0.3
167.07059	0.2
168.05212	0.3
168.06569	4.2
172.03864	0.5
172.07584	0.2
173.04225	0.2
174.05502	0.9
174.09155	0.2
176.07002	0.2
177.05486	0.2
182.09750	0.2
187.08763	0.1
189.12581	0.1
190.04916	0.1
191.07169	0.1
194.07993	0.2
194.09703	0.4
196.07475	0.2
196.09712	0.2
196.11314	0.3
197.10712	0.2
198.09157	0.2
199.08641	0.8
199.12262	0.3
201.10344	0.2
204.06561	1.1
205.07109	0.2
206.08179	1.5
207.08838	0.2
209.10547	0.2
210.09314	0.3
211.08635	5.1
211.12064	0.8
212.07518	0.2
212.09264	1.4
213.10213	1.7
213.13815	0.2
214.08749	0.2
214.10936	0.2
221.10771	0.8
222.09216	1.4
222.11316	0.3
223.08568	0.9
223.12305	0.5
224.10938	2.1
225.06754	0.2
225.10187	4.6
226.07158	0.2
226.10728	0.9
227.08092	0.9
227.11769	0.4
237.10182	0.4
238.11000	0.5
239.08054	0.6
239.11784	8.1
240.08734	0.8
240.12408	0.7
241.09740	2.6
241.13356	1.3
242.10387	0.8
249.10210	1.0
250.08597	1.3
250.11020	0.3
251.08017	1.3
251.11736	0.4
252.08542	1.5
253.09708	5.4
254.08147	0.2
254.10443	0.9
255.11227	0.8
256.12076	0.3
257.12839	0.7
259.10736	0.7
259.14490	0.5
260.11188	0.5
266.10443	0.3
267.07919	0.6
267.11264	12.2
268.09357	0.4
268.11996	0.8
269.09705	0.2
269.12808	2.1
270.10654	0.2
273.12357	0.3
277.09558	0.3
278.08002	0.4
280.08438	0.4
281.09195	0.9
283.10815	0.6
284.11514	0.7
285.09119	0.3
285.12280	1.8
287.13837	0.8
293.09354	0.2
295.10757	6.1
296.09164	0.4
297.12317	1.1
298.10553	0.5
299.10147	0.4
301.11911	0.8
302.12317	0.2
303.13342	1.0
304.13766	0.2
305.14917	3.2
306.07870	0.2
311.10095	0.2
313.11804	38.1
314.12091	1.2
315.13251	0.4
319.12918	0.7
320.13361	0.8
321.13400	0.5
323.10153	1.4
327.13138	0.3
332.10941	0.2
337.13916	0.2
338.14191	0.3
339.14471	0.2
341.11313	15.4
342.12070	0.9
343.13220	0.3
355.12860	2.2
359.12347	4.8
373.13919	100.0
374.14297	2.7
375.15567	0.9
382.12726	0.2
455.95697	0.2
503.16214	0.2
538.22119	0.2
583.25757	0.2
601.26379	0.5
625.23840	0.2
627.24121	0.8
641.25067	0.2
645.25555	2.7
659.26965	1.1
664.25952	0.2
677.28107	1.8
763.32349	0.2
807.30255	0.3
821.32440	0.4
839.32184	0.2
857.32465	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	857.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	0.7
65.17813	0.5
67.05505	8.3
69.03448	2.6
69.07056	2.4
71.01355	0.5
71.04963	0.7
71.08611	0.6
71.49675	0.6
71.50095	0.6
73.02917	3.5
79.05495	6.8
81.03401	1.8
81.07048	7.2
83.04971	1.1
83.08620	1.1
83.44675	0.4
85.02896	2.7
91.05484	3.6
93.07049	7.1
95.04951	1.4
95.08597	4.6
97.02869	1.7
97.06508	0.9
105.07024	3.9
107.08578	4.6
107.97417	0.4
109.02908	0.7
109.06506	0.7
109.10160	2.5
111.00795	1.0
117.06989	1.9
119.08588	4.1
121.02864	0.6
121.10146	2.9
123.08038	0.7
123.11758	1.0
127.03909	1.0
129.07033	0.7
131.08531	2.4
133.10120	2.2
133.76016	0.5
135.08043	0.7
135.11711	2.3
137.02313	3.2
142.39272	0.5
143.08571	0.9
145.06454	0.7
145.10110	2.3
147.11684	2.1
149.02376	0.8
149.13202	1.4
150.73549	0.5
153.01840	1.8
155.08548	0.6
159.11708	2.1
161.13246	0.8
163.03946	0.7
163.14766	0.8
165.01825	2.2
169.10117	0.6
171.11674	0.6
172.95245	0.6
173.05983	0.9
173.13231	1.0
183.02911	0.8
185.09572	0.6
185.13319	0.6
187.14879	1.0
190.96187	0.5
193.05011	0.6
201.05443	1.2
217.05013	0.7
229.04930	4.4
229.06921	0.7
257.04413	2.9
259.20581	0.8
261.22211	3.1
274.04733	0.9
285.03833	1.1
301.21722	0.6
303.04977	100.0
304.05310	1.3
315.04901	1.5
327.05063	0.7
340.05576	0.5
345.06027	3.5
351.23282	0.7
369.06009	1.5
369.24231	1.5
387.25156	1.1
405.26312	1.1
411.07092	1.8
435.09070	0.7
447.08905	0.7
857.45831	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	858.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	0.6
67.05498	0.7
68.89944	0.7
69.03435	6.3
69.07069	0.6
69.92502	2.6
70.06593	7.5
71.04968	1.3
72.08154	0.8
73.02917	0.8
79.05473	1.1
81.03379	1.0
81.07077	0.7
82.06556	1.6
83.04976	1.1
84.04473	0.6
84.08134	1.7
84.93614	0.6
85.02907	5.6
86.09676	1.8
87.04448	1.7
91.05464	1.1
92.31671	0.6
94.06535	0.5
95.04954	1.8
97.06504	0.9
98.21452	0.6
100.36396	0.5
102.97948	0.6
105.07033	0.9
107.04917	1.9
109.02865	1.3
109.06530	1.0
119.08506	0.8
120.08048	1.2
122.09669	1.3
123.04441	1.1
127.03886	0.8
131.04947	0.8
131.07349	0.6
132.08096	1.7
133.02814	1.7
133.08632	0.6
133.10124	0.5
134.09659	0.7
134.99503	0.6
136.07518	1.1
137.05966	1.6
138.05516	3.3
139.03955	0.8
146.09641	0.7
147.05505	1.7
148.07547	1.1
150.09143	10.2
151.03896	3.1
153.05490	0.7
156.08238	0.6
158.09642	0.9
160.07571	0.9
161.06026	0.7
162.09129	8.6
162.70462	0.6
163.03925	0.7
164.07056	8.3
165.05492	5.9
166.08755	0.7
167.07056	1.2
168.08055	0.8
170.09708	1.1
172.68802	0.7
175.07498	0.8
176.07050	3.9
178.08647	6.5
179.07114	0.6
181.05092	0.6
181.08755	0.8
182.09619	1.0
184.07539	1.0
185.08322	0.7
186.09140	5.7
186.12804	0.7
188.07036	1.4
188.10634	1.2
190.08656	2.3
194.09656	0.9
195.08299	0.7
195.10355	1.0
196.07635	0.8
196.11246	1.1
198.09126	1.3
200.10699	0.9
202.08624	4.2
204.06546	22.3
205.07291	4.5
206.08119	89.3
207.08392	0.8
208.11319	1.0
209.08325	0.6
210.09102	1.9
210.12779	1.6
211.09958	0.9
212.06960	0.9
212.10674	2.1
213.07793	0.9
213.11719	0.7
214.08612	8.5
214.12161	3.9
215.09319	1.4
216.10181	2.9
220.11438	0.7
222.07445	3.1
222.12584	0.6
223.09921	1.9
224.08890	1.0
224.10724	2.2
226.08586	1.9
226.12230	2.0
228.06531	0.6
228.10196	1.1
228.13760	0.9
229.15482	1.0
230.08078	4.9
234.11188	3.8
236.10725	2.5
237.11375	1.4
238.08556	1.8
238.12259	8.8
239.09518	0.8
240.06569	2.2
240.10153	2.2
241.07338	4.1
242.08127	26.1
242.11652	3.7
243.08905	5.3
244.09639	4.8
248.10776	1.1
250.12195	0.9
251.09399	1.7
252.06601	0.7
252.10181	1.9
254.11815	4.0
256.06058	10.1
256.09195	0.8
256.09680	0.8
256.13211	1.3
258.07651	2.1
258.11279	1.8
259.08185	0.8
260.08984	0.9
264.10199	3.3
265.10965	1.8
266.11746	11.7
268.09665	1.8
270.07645	0.6
272.09027	0.8
273.09863	2.0
276.10144	2.7
280.09714	2.3
282.11227	5.6
284.12839	2.6
286.07098	4.1
286.10565	1.4
290.13626	0.6
292.09729	4.3
294.11237	16.5
296.12607	1.1
297.12299	0.8
304.08127	2.6
308.09100	1.2
310.10666	9.4
312.12277	16.7
318.09793	3.6
320.09171	2.2
324.12219	1.1
326.10098	1.4
326.13794	9.9
328.11655	1.5
331.14771	0.7
338.10181	8.5
340.11777	10.8
342.13376	1.0
345.07425	0.8
356.11292	32.2
358.12918	1.8
370.12747	7.9
373.13892	0.8
388.13861	100.0
389.13986	1.8
396.16525	1.1
420.10599	0.7
432.11761	0.7
437.15515	0.7
456.16296	1.1
458.17084	6.9
464.14389	2.8
482.14590	1.5
484.14697	2.0
490.17038	0.7
500.15536	1.9
502.15973	10.5
516.17676	2.8
518.16510	2.6
532.18158	3.1
534.18701	8.7
550.19080	2.1
678.26770	0.7
858.33435	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	858.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.3
62.06250	0.8
64.82310	0.9
65.03939	1.4
67.05491	4.1
67.83743	0.8
68.04996	1.2
68.65485	0.8
69.03429	16.3
70.02930	0.9
70.06580	3.9
71.01347	2.0
71.05000	2.2
71.48910	1.2
73.02908	3.1
77.03935	1.8
79.05489	9.1
80.05001	3.3
81.03416	7.9
81.07034	2.6
82.06561	3.1
83.04963	1.9
84.08128	2.1
85.02910	26.8
86.09709	1.2
87.04457	4.6
91.03965	2.2
91.05462	4.7
93.07054	1.4
94.06534	1.5
95.04966	22.7
96.04487	6.1
96.05315	1.1
96.08121	1.7
97.02902	12.1
98.06102	1.0
99.04451	2.3
103.03924	1.4
103.05470	2.5
105.03387	1.5
105.07027	3.5
106.06554	34.0
107.04951	9.2
108.04453	1.7
108.08112	5.1
109.02878	11.5
109.06503	3.5
109.70222	1.0
110.06102	1.2
111.04435	3.5
115.03928	1.0
115.05444	2.6
117.05722	1.2
117.07062	1.1
118.06551	19.8
119.04936	3.3
120.08097	1.9
121.06486	1.8
122.05992	3.4
123.04427	10.9
124.03948	21.2
124.07616	1.8
126.05536	4.5
127.03921	6.0
127.04741	0.9
129.06998	1.4
130.06516	2.4
131.04930	3.2
131.08690	1.2
132.08084	4.2
132.27223	1.0
133.02863	1.7
133.06506	4.5
134.06001	3.9
135.04359	5.5
136.07585	2.9
137.05978	4.5
138.05495	2.9
138.09123	3.2
139.03903	34.6
140.03404	1.3
140.07094	5.5
141.05457	5.1
143.04919	2.6
145.02863	2.5
145.04955	1.5
146.06096	1.1
147.04376	2.2
148.03983	1.0
148.07564	15.3
149.05965	4.1
150.05548	1.8
150.09151	1.6
151.02783	1.4
151.03906	17.6
151.07539	1.3
152.04286	2.3
152.07114	1.2
156.06625	1.1
158.06044	1.9
159.04413	2.3
160.07573	7.9
161.05948	6.6
162.05493	3.0
163.03937	5.5
164.07069	0.9
165.05478	73.9
166.05791	2.5
166.08667	2.3
167.03409	1.1
167.05779	1.2
167.07068	2.3
170.05920	1.1
171.04407	5.0
173.05998	1.4
176.07083	30.4
177.05475	13.1
178.08658	2.0
179.07053	2.3
181.04968	1.5
183.06506	2.3
188.07095	14.2
189.05470	16.0
191.07063	1.9
193.05003	2.0
193.08566	1.2
194.05437	1.3
194.08133	5.6
199.03931	3.1
203.07008	13.8
206.08099	7.1
207.06436	1.6
208.09702	16.9
209.08110	5.5
216.06551	1.6
218.08311	1.1
220.09648	10.2
225.07565	2.5
226.08400	1.0
226.10713	6.5
230.11749	1.0
238.10733	29.5
242.04468	2.9
244.09706	1.0
248.09297	1.7
265.11874	1.2
274.07031	2.5
275.91095	1.1
281.11136	1.1
301.12262	1.0
307.12967	1.7
309.14407	2.3
312.08545	1.3
344.14883	1.2
354.09680	1.3
387.15421	2.1
388.16006	2.6
400.16006	55.7
401.16074	1.5
414.15509	1.3
430.30212	1.2
441.16519	1.2
446.18109	3.1
455.16534	1.5
469.18503	1.2
470.20529	1.5
470.66345	1.0
471.19760	5.1
491.20383	1.1
497.17468	3.1
502.21194	1.1
516.22070	1.4
517.17798	1.1
523.22821	1.3
549.20746	1.8
577.17639	2.0
583.21161	2.3
603.22168	1.6
608.23047	1.7
609.19336	2.0
621.22650	2.2
626.23657	1.5
635.24243	4.2
647.20483	3.7
653.25464	21.4
661.22095	1.6
678.26642	3.5
679.23376	18.2
696.28693	4.8
734.19556	1.1
815.30786	100.0
816.30670	4.8
841.28705	37.0
842.28009	2.3
858.33136	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	858.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.0
65.03941	1.3
67.05495	2.6
69.03432	6.7
69.45385	4.8
70.06583	1.3
71.01345	2.6
71.05020	1.5
73.02908	1.0
79.05496	13.4
81.03421	6.6
81.07036	1.3
83.04969	1.1
84.08140	11.9
85.02445	1.0
85.02906	10.2
87.04456	1.4
91.03937	0.6
91.05476	7.5
93.07037	5.0
95.04967	24.7
96.08116	2.0
96.10535	0.6
97.02894	8.8
97.06548	1.1
98.06055	3.9
98.20747	1.2
99.04523	0.9
100.07617	2.9
103.03947	1.7
103.05472	6.3
105.03379	1.5
105.04515	1.5
106.06482	0.6
107.04957	94.7
109.02879	12.3
109.06534	3.8
111.04465	1.8
112.07605	27.4
114.09140	2.2
118.06489	0.9
119.04948	4.8
120.08111	1.2
121.06497	13.9
123.04410	4.8
125.02367	5.6
125.05990	1.2
127.03925	3.8
131.04918	4.9
133.02821	3.0
134.09650	4.1
135.04410	4.7
136.07585	3.6
137.06003	2.4
137.08362	2.0
139.03903	18.4
141.05463	1.0
145.02846	0.9
145.04936	1.3
147.04408	5.9
148.07587	1.3
149.05981	22.2
150.09126	1.3
151.03900	23.9
153.05472	2.7
159.04414	3.8
160.07605	1.0
162.09160	1.7
163.03922	1.3
165.05475	76.4
167.07034	20.0
170.09727	1.5
177.05469	25.7
178.08644	0.6
178.12395	0.8
179.06960	3.0
180.10201	6.5
181.08623	0.9
186.09135	1.0
188.10703	3.1
189.05472	2.1
191.07124	0.8
195.06516	5.7
202.08696	1.0
202.12291	1.6
206.11786	1.6
209.08104	10.8
209.09984	0.8
212.10759	2.1
227.09129	15.0
230.08234	1.4
230.11833	3.0
240.10248	1.5
245.08177	1.3
246.11165	0.9
248.09135	0.8
248.12807	0.9
258.11285	4.0
262.10788	2.3
274.10614	0.8
275.11594	0.7
276.12317	12.4
280.11859	5.1
280.15005	1.1
290.13858	20.9
291.14459	0.8
306.13461	2.5
307.14093	5.7
308.14914	35.2
442.16934	5.9
459.52109	0.7
464.18875	0.8
469.19577	3.1
470.20227	95.2
471.20480	2.0
604.89014	0.6
626.24597	4.4
627.10718	0.8
638.14178	0.7
696.27783	1.5
858.33826	100.0
859.33453	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	858.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	1.3
65.03950	0.9
67.05492	2.0
68.05022	1.0
69.03430	7.3
69.07061	0.9
69.18884	1.7
69.19306	3.6
70.06221	1.2
70.06593	24.0
71.01358	0.5
71.04985	1.6
72.08149	1.0
73.02892	0.6
74.06070	0.7
79.05481	2.0
80.05013	0.9
81.03413	3.6
81.07056	1.0
83.04977	0.6
84.04478	0.6
84.08132	3.2
84.61267	0.5
85.02909	7.0
86.06063	2.4
86.09700	1.7
87.04481	0.6
91.03976	0.7
91.05475	3.1
93.07021	0.9
94.06577	1.2
95.04969	8.8
96.04489	1.9
96.08102	0.7
97.02895	3.3
97.06537	1.3
98.06038	3.1
98.97585	0.5
99.06838	0.6
100.07601	1.2
103.05473	0.9
104.05294	0.6
105.03403	0.9
105.07032	1.7
107.04949	2.8
108.04491	5.4
108.08112	1.2
109.02865	2.7
109.04810	0.9
109.06487	1.3
110.06033	1.2
111.04417	0.8
112.07591	1.9
113.06027	0.6
115.05460	1.5
116.63226	0.5
117.07001	1.3
118.06551	1.0
119.04923	1.4
119.07320	0.6
120.08081	2.4
121.06498	1.0
122.06030	2.4
123.00832	0.9
123.04440	3.4
124.03987	0.9
124.07595	0.8
125.02335	0.7
127.03909	1.9
128.06221	0.5
129.07051	0.8
129.10219	1.6
131.04900	0.9
133.02806	1.1
133.06505	0.9
133.10170	0.5
134.09648	0.7
135.04401	1.3
135.08026	0.8
136.07582	4.1
137.05960	1.8
138.05486	1.6
138.09120	0.8
139.03934	2.6
140.07043	4.1
141.07190	0.6
145.04871	0.8
145.06522	1.0
146.05991	2.7
146.09604	1.1
147.04424	0.8
147.06589	0.6
148.07570	2.4
149.05934	1.4
150.05490	1.6
150.09128	1.4
150.66333	0.5
151.03923	7.9
155.08516	0.8
157.06483	0.9
158.09657	0.9
159.04399	1.1
159.06857	0.5
159.08104	0.7
160.07547	0.7
160.11191	0.6
161.05933	1.8
162.05528	0.6
162.09109	1.5
163.03923	0.6
163.07600	0.6
164.07025	1.6
165.05478	27.9
166.04941	0.9
166.08661	1.3
167.07094	1.2
167.08501	0.5
168.06577	6.2
169.06732	1.3
169.10028	0.5
170.09569	0.8
172.03929	0.8
172.07585	0.7
172.11150	1.0
174.05466	1.4
174.09134	1.4
176.07050	0.9
177.05522	1.0
178.08658	0.6
179.06914	0.7
181.06441	1.0
185.05998	0.7
188.07117	0.8
188.10753	1.0
189.05438	1.4
190.08652	1.0
191.07051	1.3
193.05043	0.8
193.44241	0.6
195.08008	0.9
196.11246	1.0
198.09190	0.7
199.08676	0.8
200.07146	0.7
200.09035	0.8
200.10895	0.6
202.04791	0.6
203.07018	0.6
204.06564	1.8
204.10144	1.0
206.08148	2.4
207.06570	0.6
207.08527	0.8
208.07704	0.5
208.09750	0.9
209.08167	0.8
211.08669	8.1
211.12297	1.3
212.09079	4.9
212.10727	0.5
213.10086	2.3
214.08612	2.1
214.10498	0.9
214.12331	0.9
216.10168	1.1
218.08107	0.7
218.11758	0.8
220.11403	0.6
221.10800	0.9
222.09149	1.8
222.11008	0.6
223.09576	1.4
223.11960	0.7
224.10977	2.8
224.12579	0.8
225.10176	6.0
226.10541	3.6
227.08295	0.8
227.11490	0.8
228.08441	1.1
230.11708	0.6
232.09756	1.3
233.08287	0.6
239.08110	1.2
239.11766	11.6
240.08690	1.2
240.09921	0.6
240.12132	6.4
241.09706	3.7
241.13234	2.2
242.10156	1.7
242.13771	0.7
243.10512	0.7
244.09755	0.9
250.08629	1.5
250.10857	0.8
251.08459	1.8
252.08908	2.7
253.09683	9.1
254.10129	4.4
255.10934	0.7
256.11792	0.9
257.12943	0.8
258.11099	1.2
259.10233	0.8
259.14340	0.8
267.11304	15.3
268.11737	8.9
269.12863	2.6
270.13177	1.5
278.14059	0.6
282.09698	0.5
284.12808	0.9
285.12381	2.5
286.12674	1.6
287.13815	1.2
290.13998	1.2
291.64221	0.5
295.10797	7.1
296.11142	4.8
297.12207	1.7
298.12906	0.7
299.10342	1.2
300.10876	0.6
301.11465	0.9
303.13232	1.4
304.13547	0.8
305.14819	2.7
306.15323	2.1
308.15118	0.8
313.11826	43.0
314.12128	28.4
315.12811	1.0
319.12885	0.8
323.10172	2.0
324.10596	1.0
341.11270	16.9
342.11664	14.2
343.12311	1.3
355.12811	2.4
356.13107	1.7
359.12329	6.4
360.12665	3.2
368.14941	1.0
373.13931	100.0
374.14261	85.3
375.14804	2.1
382.12756	1.5
414.15408	1.8
432.16449	0.6
434.16046	1.4
446.18130	0.8
452.16980	2.4
464.19434	0.9
466.18729	1.9
470.18552	3.0
484.19702	5.8
498.21042	1.6
502.20670	7.1
516.22119	2.4
534.23145	2.1
538.21637	0.8
539.22351	0.7
576.21503	0.7
602.26868	0.8
608.23865	0.9
626.24738	1.0
628.24036	3.1
639.66089	0.6
645.25452	0.8
646.25305	8.1
660.27069	4.3
664.25995	13.5
678.27899	10.9
696.28632	15.6
808.30469	0.6
822.31720	1.0
840.31940	2.1
858.33795	15.5
859.34503	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	858.339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	2.0
62.32331	0.6
65.03929	0.8
67.05503	2.7
69.03430	9.0
69.07065	0.9
70.06593	9.8
70.17525	2.3
71.01342	1.5
71.04988	2.5
72.08158	0.6
73.02908	1.6
79.05501	12.2
81.03422	5.7
81.07054	1.7
82.06568	1.1
84.08152	5.8
84.47091	0.6
85.02911	11.3
86.09699	1.1
87.04465	2.0
91.05476	6.3
93.03399	1.2
93.07053	5.5
95.04967	21.5
96.04502	1.7
96.08131	2.2
97.02895	9.2
97.06542	1.4
98.06046	2.5
99.04435	0.9
100.07607	0.8
103.03947	1.9
103.05473	6.9
105.03400	1.7
105.04485	0.7
105.07037	1.6
106.06561	0.7
107.04958	89.8
108.05257	0.7
109.02877	15.8
109.06544	4.1
111.04436	2.2
111.08081	0.6
112.07608	16.3
112.08743	0.7
117.07013	0.8
118.06528	0.9
119.04938	3.8
120.08084	1.5
121.02892	0.7
121.06498	10.7
122.09633	0.7
123.04440	5.6
124.03970	1.3
124.07580	0.7
125.02359	6.0
125.05980	1.4
127.03905	3.5
129.06975	0.6
131.04968	2.7
132.08075	0.7
133.02878	3.5
133.06512	1.2
133.08887	1.1
134.05997	0.7
134.09645	8.6
135.04417	4.8
135.08064	2.7
136.07573	2.0
137.02312	0.6
137.05980	2.5
137.08389	1.2
137.09592	0.5
139.03906	17.7
139.07526	0.9
141.05431	1.6
143.08514	0.5
145.02856	0.7
145.04961	1.0
145.06488	0.9
146.09692	0.7
147.04443	3.7
148.07576	3.5
148.11266	0.6
149.05980	18.1
149.07159	0.9
149.08405	0.6
150.09155	1.7
151.03900	22.1
152.10736	1.8
153.05464	2.6
157.06461	0.8
159.04437	1.7
160.07619	1.0
160.11234	1.4
161.06012	1.9
162.09181	2.5
163.03940	1.3
163.07591	0.9
164.07083	1.2
165.05478	67.5
167.07045	13.5
167.08466	0.8
168.08069	0.8
170.09653	3.1
176.10709	0.6
177.05478	20.7
178.08723	0.8
178.12213	1.1
179.07060	1.5
180.10216	4.1
184.11282	1.2
186.09222	2.2
188.07169	0.9
188.10721	5.6
189.05495	2.3
190.12308	0.6
191.07069	1.3
193.08684	0.7
195.06531	8.0
195.08244	0.7
198.09212	0.8
200.10822	0.9
202.12292	1.7
206.08247	0.7
209.08109	12.9
212.10757	2.4
214.08618	1.1
218.11777	0.7
227.09148	17.5
228.10081	1.0
230.11789	3.0
232.13412	1.0
237.02789	0.8
240.10236	2.5
245.08142	0.8
246.11214	1.4
248.09142	0.9
248.12848	1.0
258.11246	7.4
262.10818	1.2
262.14359	1.1
270.11426	0.5
272.13016	1.3
274.10773	0.6
276.12341	11.9
276.15268	0.8
280.11850	1.5
290.13864	34.9
304.11752	0.9
306.13528	2.2
307.14130	4.1
308.14923	31.0
324.11624	0.7
332.14529	0.6
334.16617	1.0
336.14685	0.6
360.18030	1.1
382.12903	0.8
414.15448	2.0
432.16443	1.3
442.17377	1.9
446.17865	1.0
464.19308	0.8
468.19022	0.7
469.19492	1.0
470.20245	92.7
471.20596	1.7
501.85037	0.6
516.22229	1.5
566.31085	0.5
576.20331	0.7
608.23700	0.7
626.24316	4.9
646.24719	0.7
655.26654	0.7
664.26599	0.8
678.27753	3.1
696.28680	3.3
840.32599	0.7
841.28711	1.0
849.74274	0.7
858.33868	100.0
859.33740	2.0
875.85675	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	858.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	1.3
65.03950	0.9
67.05492	2.0
68.05022	1.0
69.03430	7.3
69.07061	0.9
69.18884	1.7
69.19306	3.6
70.06221	1.2
70.06593	24.0
71.01358	0.5
71.04985	1.6
72.08149	1.0
73.02892	0.6
74.06070	0.7
79.05481	2.0
80.05013	0.9
81.03413	3.6
81.07056	1.0
83.04977	0.6
84.04478	0.6
84.08132	3.2
84.61267	0.5
85.02909	7.0
86.06063	2.4
86.09700	1.7
87.04481	0.6
91.03976	0.7
91.05475	3.1
93.07021	0.9
94.06577	1.2
95.04969	8.8
96.04489	1.9
96.08102	0.7
97.02895	3.3
97.06537	1.3
98.06038	3.1
98.97585	0.5
99.06838	0.6
100.07601	1.2
103.05473	0.9
104.05294	0.6
105.03403	0.9
105.07032	1.7
107.04949	2.8
108.04491	5.4
108.08112	1.2
109.02865	2.7
109.04810	0.9
109.06487	1.3
110.06033	1.2
111.04417	0.8
112.07591	1.9
113.06027	0.6
115.05460	1.5
116.63226	0.5
117.07001	1.3
118.06551	1.0
119.04923	1.4
119.07320	0.6
120.08081	2.4
121.06498	1.0
122.06030	2.4
123.00832	0.9
123.04440	3.4
124.03987	0.9
124.07595	0.8
125.02335	0.7
127.03909	1.9
128.06221	0.5
129.07051	0.8
129.10219	1.6
131.04900	0.9
133.02806	1.1
133.06505	0.9
133.10170	0.5
134.09648	0.7
135.04401	1.3
135.08026	0.8
136.07582	4.1
137.05960	1.8
138.05486	1.6
138.09120	0.8
139.03934	2.6
140.07043	4.1
141.07190	0.6
145.04871	0.8
145.06522	1.0
146.05991	2.7
146.09604	1.1
147.04424	0.8
147.06589	0.6
148.07570	2.4
149.05934	1.4
150.05490	1.6
150.09128	1.4
150.66333	0.5
151.03923	7.9
155.08516	0.8
157.06483	0.9
158.09657	0.9
159.04399	1.1
159.06857	0.5
159.08104	0.7
160.07547	0.7
160.11191	0.6
161.05933	1.8
162.05528	0.6
162.09109	1.5
163.03923	0.6
163.07600	0.6
164.07025	1.6
165.05478	27.9
166.04941	0.9
166.08661	1.3
167.07094	1.2
167.08501	0.5
168.06577	6.2
169.06732	1.3
169.10028	0.5
170.09569	0.8
172.03929	0.8
172.07585	0.7
172.11150	1.0
174.05466	1.4
174.09134	1.4
176.07050	0.9
177.05522	1.0
178.08658	0.6
179.06914	0.7
181.06441	1.0
185.05998	0.7
188.07117	0.8
188.10753	1.0
189.05438	1.4
190.08652	1.0
191.07051	1.3
193.05043	0.8
193.44241	0.6
195.08008	0.9
196.11246	1.0
198.09190	0.7
199.08676	0.8
200.07146	0.7
200.09035	0.8
200.10895	0.6
202.04791	0.6
203.07018	0.6
204.06564	1.8
204.10144	1.0
206.08148	2.4
207.06570	0.6
207.08527	0.8
208.07704	0.5
208.09750	0.9
209.08167	0.8
211.08669	8.1
211.12297	1.3
212.09079	4.9
212.10727	0.5
213.10086	2.3
214.08612	2.1
214.10498	0.9
214.12331	0.9
216.10168	1.1
218.08107	0.7
218.11758	0.8
220.11403	0.6
221.10800	0.9
222.09149	1.8
222.11008	0.6
223.09576	1.4
223.11960	0.7
224.10977	2.8
224.12579	0.8
225.10176	6.0
226.10541	3.6
227.08295	0.8
227.11490	0.8
228.08441	1.1
230.11708	0.6
232.09756	1.3
233.08287	0.6
239.08110	1.2
239.11766	11.6
240.08690	1.2
240.09921	0.6
240.12132	6.4
241.09706	3.7
241.13234	2.2
242.10156	1.7
242.13771	0.7
243.10512	0.7
244.09755	0.9
250.08629	1.5
250.10857	0.8
251.08459	1.8
252.08908	2.7
253.09683	9.1
254.10129	4.4
255.10934	0.7
256.11792	0.9
257.12943	0.8
258.11099	1.2
259.10233	0.8
259.14340	0.8
267.11304	15.3
268.11737	8.9
269.12863	2.6
270.13177	1.5
278.14059	0.6
282.09698	0.5
284.12808	0.9
285.12381	2.5
286.12674	1.6
287.13815	1.2
290.13998	1.2
291.64221	0.5
295.10797	7.1
296.11142	4.8
297.12207	1.7
298.12906	0.7
299.10342	1.2
300.10876	0.6
301.11465	0.9
303.13232	1.4
304.13547	0.8
305.14819	2.7
306.15323	2.1
308.15118	0.8
313.11826	43.0
314.12128	28.4
315.12811	1.0
319.12885	0.8
323.10172	2.0
324.10596	1.0
341.11270	16.9
342.11664	14.2
343.12311	1.3
355.12811	2.4
356.13107	1.7
359.12329	6.4
360.12665	3.2
368.14941	1.0
373.13931	100.0
374.14261	85.3
375.14804	2.1
382.12756	1.5
414.15408	1.8
432.16449	0.6
434.16046	1.4
446.18130	0.8
452.16980	2.4
464.19434	0.9
466.18729	1.9
470.18552	3.0
484.19702	5.8
498.21042	1.6
502.20670	7.1
516.22119	2.4
534.23145	2.1
538.21637	0.8
539.22351	0.7
576.21503	0.7
602.26868	0.8
608.23865	0.9
626.24738	1.0
628.24036	3.1
639.66089	0.6
645.25452	0.8
646.25305	8.1
660.27069	4.3
664.25995	13.5
678.27899	10.9
696.28632	15.6
808.30469	0.6
822.31720	1.0
840.31940	2.1
858.33795	15.5
859.34503	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	878.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	1.3
64.59927	0.4
65.03920	0.6
67.05505	2.1
69.03416	3.0
69.30920	3.5
70.06583	2.2
71.05004	0.4
73.02895	0.5
77.03922	0.4
79.05487	3.0
79.64987	0.3
81.03431	2.0
81.07022	0.7
83.04967	1.0
84.08138	0.6
85.02904	5.9
86.09704	0.9
91.05469	1.5
94.04190	0.8
94.86989	0.3
95.04966	6.7
97.02879	2.2
97.06533	0.6
103.05465	0.8
105.03374	1.1
105.04489	0.5
105.07021	0.7
107.04963	2.2
109.02882	1.2
109.06506	1.0
111.04413	1.9
119.08521	0.4
121.02830	0.5
122.03672	0.5
123.04416	2.8
127.03901	1.2
128.04965	1.3
128.06068	0.3
129.06982	0.4
129.10211	0.4
130.06548	2.6
132.04462	0.6
133.02834	1.4
135.04417	2.1
137.05989	2.2
139.03897	21.1
140.04193	0.4
145.05051	0.6
146.05983	1.6
147.04439	0.6
150.05487	0.7
151.03905	2.6
153.05473	1.2
156.04436	16.9
158.06010	22.9
161.05927	0.6
165.05478	28.0
167.07066	2.6
169.05217	0.6
170.06024	1.4
172.07597	0.7
174.05501	100.0
175.05869	1.6
176.07062	40.8
177.05585	0.4
177.07390	0.4
180.07954	0.5
181.05104	0.4
182.06036	0.8
183.06596	1.1
184.07503	1.0
185.05942	0.7
186.05421	0.4
188.07100	1.4
191.07095	0.5
194.05989	0.8
196.07584	0.8
197.06053	0.5
198.05484	0.7
200.07057	1.4
201.07623	0.4
206.09618	0.6
208.07579	0.9
211.07639	0.5
212.07037	1.1
214.08578	0.5
216.06491	0.9
218.08090	0.9
220.07544	0.8
222.05473	0.9
222.09084	0.4
224.07083	1.8
226.08684	1.0
229.04942	1.1
230.09596	0.7
233.08208	0.4
234.09120	2.3
238.08524	0.7
242.07979	0.4
248.07051	0.8
248.10730	0.7
250.05069	1.2
250.08533	2.1
252.06544	4.4
252.10149	2.5
254.07993	0.8
254.11717	0.7
256.05942	0.5
258.09207	0.9
260.07077	0.8
261.07681	0.7
262.08755	0.6
264.06454	0.6
266.08026	0.6
268.05978	0.9
268.09811	0.5
270.07495	0.8
271.09698	0.5
272.06940	0.4
274.08588	1.0
275.09280	0.5
276.06839	0.9
276.10181	2.2
278.08032	0.5
278.11661	0.5
282.07550	1.5
284.09393	1.2
286.06921	1.0
290.08191	0.6
292.06223	0.5
294.07516	0.6
294.11267	0.6
300.08832	1.6
302.08066	0.4
302.11560	0.7
304.06299	0.6
304.09656	3.3
306.07651	0.6
306.11182	0.6
308.09186	0.7
310.10916	0.5
314.08142	0.8
314.11658	0.5
316.09943	0.4
318.11310	0.5
320.09180	1.1
322.10754	5.5
328.09473	0.9
330.11325	0.6
332.08844	0.7
334.10712	0.6
336.12335	2.1
338.10049	1.1
340.11874	2.2
345.13260	0.4
346.10675	1.2
348.12463	0.6
352.12274	0.5
354.13370	7.0
356.08481	0.5
356.12796	0.7
360.12222	0.5
364.12094	0.8
366.13593	0.4
370.12906	0.9
372.14340	1.5
374.10068	1.2
380.14777	0.5
384.08087	0.6
384.12238	1.4
388.11511	0.7
398.14005	0.6
402.09079	2.1
402.13766	1.0
406.12726	1.1
408.12216	0.8
416.11115	1.4
416.15186	1.2
420.10739	1.6
426.13504	1.4
434.11432	2.8
436.11771	0.6
440.15067	0.8
444.14383	1.0
448.13919	0.9
452.13077	3.0
454.12692	2.5
458.15744	0.9
466.15012	2.0
468.14297	1.1
472.13806	6.9
476.16724	1.3
484.16064	1.3
486.15518	7.0
490.14948	9.8
500.17130	0.8
504.16531	17.7
518.18042	5.5
522.17609	14.3
523.17621	0.6
534.19611	0.5
536.19116	14.2
554.20197	7.6
596.17706	0.7
648.19739	0.6
652.19788	0.8
666.21790	2.9
680.23224	0.8
684.22949	3.7
698.24237	7.7
716.25482	9.1
846.27692	0.6
878.30243	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	880.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	2.9
65.03909	0.6
65.98286	0.4
67.05507	11.7
69.03393	1.1
69.07072	6.8
69.37511	1.9
69.37914	1.2
71.05000	1.9
71.08632	15.1
71.09449	0.4
72.47893	0.4
72.90218	0.3
73.02886	1.7
75.11644	0.4
79.05494	11.5
81.03376	1.7
81.07058	17.1
83.04948	1.7
83.08622	9.5
85.02911	3.7
85.06529	0.9
85.10184	8.8
86.34651	0.4
88.04590	0.4
89.05995	1.3
91.03957	2.4
91.05487	4.1
93.07043	19.7
95.04977	4.0
95.08610	30.0
97.02425	0.4
97.02885	4.1
97.06547	2.0
97.10168	3.3
99.04443	3.3
99.11723	0.5
103.07546	0.8
105.07040	3.8
107.04955	5.8
107.08594	16.0
109.06487	1.1
109.09505	0.5
109.10159	6.7
111.04433	1.0
111.11681	0.9
117.07014	5.9
119.08588	6.4
121.06486	3.5
121.10151	7.8
122.70901	0.4
123.11713	2.1
124.13005	0.3
125.05991	2.1
127.03874	0.9
130.07761	1.4
133.10155	2.4
133.10948	0.4
135.08032	1.4
135.11691	34.9
137.13188	1.0
138.34636	0.4
139.07516	1.3
143.08551	0.6
145.10126	17.6
151.14705	0.4
153.12740	0.7
158.80450	0.4
163.11182	46.2
164.11517	0.7
173.09616	0.7
181.12234	8.8
209.11813	1.2
218.01488	0.4
221.22672	0.5
227.12781	48.8
238.03648	0.4
239.23770	1.1
257.24771	1.6
283.15399	89.2
284.15775	0.4
313.27362	89.4
314.27725	0.8
334.49460	0.4
521.38385	100.0
522.38464	2.2
813.09003	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	880.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	9.1
65.03911	0.3
67.05502	11.5
69.03438	2.5
69.07066	6.1
69.52079	0.5
69.52488	1.8
71.01327	0.6
71.04987	2.5
71.08625	16.5
73.02912	3.4
73.06517	0.3
75.04452	0.4
79.05489	10.5
81.03416	7.8
81.07052	17.4
83.01338	5.6
83.04974	7.0
83.08616	11.5
85.02901	14.3
85.06508	0.9
85.10169	8.7
87.04424	0.4
89.05997	0.9
91.03954	7.6
91.05466	5.9
93.07039	13.5
95.04388	0.3
95.04961	4.4
95.08601	15.2
96.04426	0.3
97.02885	7.7
97.06534	2.4
97.10161	3.3
99.04452	2.5
99.11723	0.7
101.02317	0.4
103.05431	0.6
103.07555	0.4
105.06448	0.4
105.07034	5.3
106.41153	0.3
107.04237	0.3
107.04952	4.7
107.07909	0.5
107.08589	8.1
109.02853	0.6
109.05842	0.4
109.06514	4.7
109.10149	6.3
111.04474	1.6
111.08046	1.3
111.11697	0.8
115.03883	0.8
117.07011	4.6
117.09122	0.4
119.08580	5.7
121.06495	2.0
121.09353	0.4
121.10142	5.1
123.04468	0.3
123.08075	6.3
123.11684	2.1
125.05973	0.7
125.09573	1.0
127.03914	3.0
129.06958	0.9
130.07745	0.8
131.04921	0.3
131.08522	2.0
133.10037	0.9
135.08066	1.6
135.10741	0.4
135.11693	7.2
137.09581	0.8
137.13203	0.8
139.07512	0.4
139.11169	0.4
143.08565	0.6
144.06602	0.4
145.04916	3.5
145.06418	0.6
145.10115	11.3
147.08038	1.3
149.09575	0.4
151.11221	0.3
151.14778	0.3
153.12711	2.0
155.08510	0.9
159.13837	0.4
163.06015	4.1
163.11176	17.3
165.16432	0.3
173.09627	2.0
181.12219	1.9
191.10725	1.9
209.11702	3.8
227.12735	2.4
239.23653	1.3
257.24713	1.6
267.56134	0.3
283.15375	100.0
284.15732	1.2
298.27362	0.3
313.27344	71.9
314.27725	1.3
521.38348	49.0
522.38501	1.2
530.64160	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	882.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	0.8
67.05505	17.2
69.03423	3.5
69.07069	9.9
69.42026	7.0
71.04996	2.0
71.08254	1.3
71.08628	21.0
73.02905	2.1
79.05492	12.4
81.03416	31.3
81.07053	23.3
83.04982	7.4
83.08624	16.7
85.02905	21.0
85.06541	1.4
85.10178	13.0
87.04456	1.9
89.06031	1.5
91.03957	5.9
91.05474	13.4
93.07051	8.0
95.04968	14.0
95.08607	18.6
97.02892	5.1
97.06499	1.5
97.10167	4.8
99.04444	1.3
105.07040	10.6
107.04955	2.4
107.08620	4.1
109.02874	0.9
109.06505	2.2
109.10168	6.8
111.04453	1.2
111.08062	5.1
119.08587	9.7
121.06427	1.0
121.10135	5.0
123.11669	3.6
127.03873	2.4
129.06981	6.0
131.08572	6.1
133.06532	2.3
133.10112	6.1
137.09615	1.1
137.13229	1.4
142.07724	1.0
145.04970	2.1
145.10104	1.4
147.08028	1.9
147.11682	7.8
149.09593	3.0
157.10115	8.9
163.05992	1.6
165.12793	1.5
175.11200	8.4
193.12245	20.1
211.13271	25.6
215.22151	0.8
239.23656	1.8
239.72922	0.8
257.24734	1.0
267.15857	11.3
285.16962	33.7
313.27359	70.7
314.27725	2.4
413.30481	0.8
425.70786	1.0
505.38809	16.4
523.39929	100.0
524.40161	2.4
734.05243	1.0
841.42358	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	882.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49971	0.3
65.03921	0.7
67.05505	15.4
69.03430	3.6
69.07066	6.7
70.18065	0.5
70.18462	0.5
71.01308	0.3
71.04682	0.3
71.04990	3.2
71.08633	14.2
72.08961	0.3
73.02910	2.3
73.06505	0.3
77.03882	0.3
79.05028	0.5
79.05490	11.0
81.03418	31.2
81.07055	18.9
83.04978	8.2
83.08617	17.3
83.09134	0.6
85.02904	20.2
85.06529	1.3
85.09682	0.5
85.10181	9.4
87.04443	0.6
89.06010	0.8
91.03432	0.5
91.03955	5.9
91.05475	16.3
93.07043	8.7
95.04969	11.9
95.05576	0.7
95.08604	14.9
96.04504	0.3
96.08904	0.3
97.02888	6.5
97.06526	2.3
97.10166	4.0
99.04428	0.7
99.08048	0.8
99.11724	0.4
103.05434	0.4
103.07522	0.8
105.07024	10.4
107.04958	3.3
107.08002	0.3
107.08595	3.4
109.02907	0.4
109.06522	2.2
109.10161	6.5
111.04448	1.3
111.08079	6.0
111.11719	0.5
113.05994	1.2
115.03885	0.4
115.05413	0.8
117.06981	0.9
119.04921	0.4
119.08582	9.5
121.06487	1.1
121.09371	0.3
121.10155	5.2
123.08083	1.2
123.11690	2.8
125.09590	0.8
127.03877	2.0
127.07583	0.3
129.07008	4.6
131.08559	6.2
133.06520	1.4
133.10123	6.3
137.09605	1.0
137.13194	0.8
138.98763	0.3
142.07751	1.5
145.04958	2.3
145.10074	0.7
147.08055	2.1
147.11690	9.2
149.09595	3.3
151.11096	0.5
157.10127	7.9
162.07695	0.4
163.05997	2.8
163.11151	0.6
165.12721	1.8
175.11182	8.6
182.44234	0.3
193.12238	25.5
211.13283	42.3
212.13634	0.4
221.22546	0.3
239.23721	1.6
249.14806	0.8
257.24683	1.3
267.11612	0.4
267.15909	16.2
285.16956	62.2
286.17282	0.4
313.27350	58.9
314.27777	1.0
390.98047	0.3
505.38858	14.2
523.39935	100.0
524.40283	1.7
667.44257	0.6
672.30219	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	882.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.5
67.05509	9.6
68.72832	0.5
69.03426	2.0
69.07069	5.4
69.54613	0.5
70.10162	2.3
71.04991	1.7
71.08634	10.8
71.83280	0.4
73.02913	1.6
79.05490	5.7
81.03416	25.8
81.07059	13.4
81.39161	0.5
83.04982	4.6
83.08621	13.8
85.02903	15.5
85.06531	0.7
85.10175	5.3
86.09726	0.8
87.04466	0.5
91.03413	0.4
91.03945	2.5
91.05482	7.6
93.07046	5.1
95.04970	9.5
95.08017	0.6
95.08609	10.8
97.02899	3.6
97.06529	1.4
97.10163	3.6
99.08087	0.7
105.07041	6.0
107.04951	2.3
107.08620	2.8
109.06531	0.8
109.10144	4.3
111.04421	1.0
111.08086	4.0
111.11734	0.6
113.06034	1.2
119.08582	5.4
121.06551	0.6
121.10190	3.3
123.08061	1.3
123.11703	1.6
125.09625	0.6
127.03925	0.8
129.07018	3.2
131.08557	3.2
133.06511	0.8
133.10106	3.1
135.11665	0.6
137.13243	1.1
142.07777	1.0
145.04971	0.9
145.10078	0.7
147.08058	1.2
147.11682	5.3
149.09627	1.7
157.10126	6.0
163.06038	1.1
163.11290	0.7
165.12770	1.3
175.11189	5.6
184.07368	1.6
193.10472	1.1
193.12238	20.4
211.13284	25.0
216.81403	0.5
239.23636	1.0
257.24896	0.6
267.15924	8.6
283.15457	1.7
284.15814	1.0
285.16956	25.2
286.17142	0.7
313.27356	33.5
314.27640	2.3
315.28052	0.9
396.19449	0.5
429.21164	1.0
505.38882	7.7
521.37854	0.7
522.38757	1.3
523.39929	100.0
524.40332	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	885.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.0
69.03432	2.9
69.07066	0.5
69.33906	2.8
69.34312	0.5
71.08644	1.0
73.02916	2.5
79.05495	0.7
81.03434	1.1
81.07060	1.7
83.08624	0.5
85.02906	4.1
85.10200	0.6
91.03967	2.4
91.05476	0.5
93.07059	1.2
95.04962	0.6
95.08599	2.4
97.02896	4.5
97.06554	0.3
97.10199	0.5
98.21503	0.6
99.04495	0.8
101.02389	1.1
107.08611	0.9
109.02863	0.6
109.10173	0.8
115.03940	0.6
117.07069	0.5
121.06578	0.4
121.10156	0.7
127.03945	0.8
134.15131	0.4
135.11717	2.4
145.04875	0.5
145.10182	1.1
163.11192	3.3
172.18352	0.3
177.23735	0.3
181.12233	0.4
185.04234	0.6
217.73514	0.3
219.10023	0.6
227.12791	3.4
243.08476	2.2
249.11005	5.8
249.13466	0.4
305.13559	1.9
313.27405	1.0
347.09500	2.5
365.10809	1.1
405.13669	5.2
467.18860	11.4
497.30835	5.7
524.40649	0.4
525.41467	0.5
561.37939	0.6
601.56403	0.4
629.24115	7.9
659.36182	6.2
723.42969	3.5
885.48120	100.0
886.48016	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	885.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.3
69.03429	3.0
69.07072	1.4
71.01345	0.7
71.04995	0.4
71.08309	0.3
71.08627	1.7
71.49756	0.4
72.93696	0.3
73.02903	3.2
74.50663	0.4
77.49400	0.3
79.05479	0.7
81.03423	2.1
81.07062	1.2
83.04959	0.4
83.08620	0.9
85.02905	6.9
85.10195	0.9
86.18639	0.3
91.03958	3.8
91.05487	0.5
93.07043	1.0
95.04972	0.5
95.08625	1.4
96.31095	0.3
97.02886	6.4
97.03456	0.5
97.10199	0.3
99.04470	1.1
101.02393	2.2
103.03996	0.3
105.07098	0.3
107.04919	0.3
107.08573	0.6
109.02875	0.8
109.10168	0.8
111.55297	0.4
115.03928	0.8
119.08584	0.4
121.10160	0.5
127.03897	1.8
135.11710	0.4
145.04965	0.3
145.10136	0.7
161.30984	0.3
163.11241	1.1
181.12242	0.4
185.04184	0.8
203.05380	0.4
243.08452	2.0
244.56693	0.3
283.15417	0.6
285.15945	0.3
291.72250	0.4
313.27466	1.1
347.09351	1.9
365.10657	0.9
405.13727	6.1
467.18924	7.3
497.30768	4.4
629.24158	6.5
659.36041	4.4
723.43079	2.5
885.48083	100.0
886.48285	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	886.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.2
67.05505	21.7
69.03426	4.9
69.07072	5.6
69.43321	5.4
70.06591	7.0
71.01328	0.9
71.04993	3.1
72.08140	2.3
73.02911	1.5
73.55015	0.6
79.05033	0.7
79.05492	20.7
81.03417	70.4
81.07052	21.1
83.04978	10.6
83.07846	0.7
83.08620	16.6
84.04491	1.1
84.08118	2.4
85.02902	13.4
85.06516	0.9
86.09700	2.7
87.04452	1.1
91.03941	2.8
91.05479	22.9
93.07040	12.9
95.04968	24.8
95.05581	1.4
95.08607	8.2
97.02883	5.8
97.06525	6.3
97.10170	6.3
99.04456	1.5
103.05454	0.8
105.07037	16.5
107.04959	13.0
107.08579	7.5
109.02829	1.2
109.06525	5.7
109.10155	7.4
110.07188	1.1
111.04448	2.9
111.08087	8.1
113.05981	1.3
115.05461	1.7
115.61048	0.6
116.06191	0.8
117.07023	4.0
119.04896	1.0
119.08583	14.4
120.08118	0.9
121.06507	5.8
121.10144	8.4
123.04480	1.6
123.08063	3.1
123.11719	1.4
125.09618	4.2
127.03869	2.0
129.07001	11.7
129.10204	1.4
131.04884	1.4
131.08560	11.3
133.06512	3.9
133.10121	6.7
135.04376	0.8
135.08049	2.4
135.11688	2.1
136.07614	1.0
137.05971	1.4
137.09593	3.1
139.03899	1.2
141.06981	1.4
142.07779	1.8
143.08473	1.5
145.04962	1.2
145.06488	4.7
145.10127	3.5
147.08057	4.5
147.11682	10.9
149.06023	1.1
149.09615	6.7
151.03911	0.9
153.08992	0.8
155.08522	1.7
157.10127	11.0
157.66214	0.6
159.08047	1.7
159.11647	0.9
161.06030	0.9
161.09610	0.7
161.13239	0.7
163.03867	1.2
163.06149	1.3
163.11188	4.1
165.05455	2.9
165.06810	0.6
165.12767	2.3
167.07014	1.2
169.10110	1.4
171.08020	1.2
171.11699	0.8
173.09639	1.3
173.11755	1.6
175.11185	10.9
177.05495	1.0
181.08481	0.6
181.10042	1.1
185.09584	1.3
187.11215	0.6
189.09227	0.7
189.11241	1.5
189.12723	1.1
191.10628	0.8
193.12233	29.8
194.12608	0.7
195.11736	1.1
197.13257	1.6
209.08067	1.2
209.11697	1.3
211.13258	13.5
227.12726	2.0
229.14256	4.9
249.14931	2.3
255.13792	2.2
259.09665	0.7
267.15912	100.0
268.16312	1.8
273.14761	5.1
279.21228	0.7
283.15366	5.6
285.10126	1.0
285.16956	11.7
301.16757	1.0
339.23367	1.2
341.21008	1.6
349.21725	3.4
367.22662	6.8
375.17661	0.7
385.23804	8.9
403.24655	2.5
429.68173	0.7
433.25867	16.4
437.14337	0.7
437.25339	1.6
441.26285	7.2
449.46021	0.7
459.27405	78.1
460.27457	2.7
477.28467	44.8
478.29044	1.2
491.25983	1.1
501.28305	1.7
509.31073	1.1
519.29547	3.4
527.28308	1.2
530.12616	0.7
558.09656	0.7
573.30017	1.1
585.30347	2.5
603.31104	1.3
621.32379	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	887.497
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.4
69.81979	4.3
71.05004	1.1
73.02917	3.7
81.03420	3.6
81.07069	1.5
83.05024	1.0
85.02921	4.9
86.81925	1.1
91.03970	2.7
93.07026	1.2
97.02916	5.0
98.20862	1.5
105.07035	1.0
117.69151	1.0
119.08582	1.2
120.31660	1.2
129.82721	0.9
139.98766	1.1
179.78134	1.0
182.35098	0.9
193.12407	1.7
211.13408	1.1
243.08438	1.6
247.12570	1.0
251.12752	1.2
264.31259	1.1
269.25665	1.0
281.02039	1.0
281.96143	1.1
296.21860	1.1
307.15268	1.4
313.27457	1.3
322.19232	1.1
331.30841	1.1
347.09543	1.7
405.13919	3.5
428.04782	1.0
469.20282	6.9
497.31085	3.1
533.23376	1.3
631.25854	5.2
659.36243	3.9
725.44611	2.9
887.49695	100.0
888.50055	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	887.497
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.4
69.03428	3.8
69.07063	0.6
70.07075	0.9
71.01352	0.4
71.04995	0.4
71.08629	1.0
71.35027	0.2
73.02911	3.4
79.05502	0.9
79.65397	0.2
79.95692	0.2
81.03413	2.6
81.07037	1.6
83.04962	0.4
83.08613	1.0
85.02896	5.6
85.03391	0.3
85.10190	0.7
87.04482	0.4
91.03953	3.1
91.05463	1.5
93.07040	0.8
95.04971	0.8
95.08586	1.4
97.02885	5.2
97.06559	0.2
99.04438	0.9
101.02367	1.7
103.03968	0.3
104.11884	0.2
105.07027	0.7
106.21678	0.2
107.04984	0.3
107.08580	0.5
109.02891	0.6
109.06469	0.2
109.10151	0.7
115.03950	0.6
119.08595	0.7
121.10162	0.3
123.11691	0.3
127.03886	1.8
129.07031	0.3
131.08574	0.4
133.10149	0.7
145.04944	0.3
147.11731	0.5
149.09648	0.4
157.10182	0.4
172.35948	0.2
175.11185	0.5
185.04231	1.1
192.47997	0.2
193.12177	1.0
203.05315	0.6
211.13310	0.4
222.69936	0.2
243.08368	1.7
251.12645	0.8
253.14465	0.3
259.08066	0.2
269.12259	0.3
307.15173	0.7
313.27441	0.8
347.09436	2.5
365.10547	1.1
405.13651	4.7
469.20441	7.4
497.30927	4.2
497.38022	0.3
563.39490	0.3
566.99103	0.2
631.25671	6.3
631.35962	0.4
632.26508	0.3
659.36078	3.9
666.00366	0.2
725.44598	2.0
800.26056	0.2
887.49634	100.0
888.49841	4.2
916.72284	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	896.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03881	0.4
65.67029	0.3
67.05501	10.6
69.03439	1.9
69.07064	4.6
69.65959	0.3
69.78431	0.3
70.33243	0.9
71.01315	1.2
71.04948	0.9
71.08629	14.5
71.88184	0.3
73.02921	2.4
79.05492	5.0
81.03405	2.8
81.07053	15.4
83.04988	2.0
83.08616	10.4
85.02903	9.1
85.06539	1.4
85.10181	8.2
87.04479	0.4
89.05975	0.9
91.03429	0.4
91.03950	6.0
91.05476	10.9
93.07042	7.6
95.04964	2.0
95.08603	11.2
97.02332	0.5
97.02894	6.5
97.06515	1.7
97.10172	3.6
99.00813	10.2
99.04395	0.9
99.08051	0.5
99.11702	0.4
101.02355	0.4
103.05443	0.7
103.07559	0.5
105.07031	8.6
106.45097	0.3
107.04948	3.7
107.08585	4.3
109.02877	5.9
109.06471	1.2
109.10159	8.6
111.04406	0.8
111.08082	2.5
111.11690	0.3
113.05952	0.6
113.13200	0.3
115.03932	2.5
115.05396	0.5
117.07022	1.7
119.04892	0.6
119.08565	4.2
121.06505	4.5
121.10123	0.6
123.04382	1.3
123.08031	0.5
123.11713	3.6
125.13255	0.4
127.03136	0.4
127.03922	4.5
128.06213	0.7
129.06987	0.4
131.08495	1.1
133.06487	0.6
133.10126	24.3
135.08000	1.0
135.11624	0.7
137.05948	0.7
137.09544	0.9
137.13205	0.6
139.03909	0.3
139.07565	2.2
143.08542	3.0
145.04953	2.6
145.06543	0.3
145.10103	0.4
147.04349	0.4
147.07997	1.0
151.11176	8.3
151.14771	0.3
159.08000	0.3
161.09610	12.9
163.06050	3.0
163.11157	0.5
165.09129	0.4
165.16420	0.4
171.08054	2.6
179.10664	7.7
189.09090	6.0
197.11752	2.1
207.10153	2.7
225.11209	8.1
225.13412	0.5
239.23691	1.5
243.12186	1.8
257.24707	1.5
263.21445	0.3
281.13846	7.5
299.14880	100.0
300.15155	1.4
313.27353	81.6
314.27649	1.7
327.29050	0.3
438.56940	0.3
537.37860	56.1
538.38251	1.3
737.63660	0.4
890.55627	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	898.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03955	0.6
67.05508	14.5
69.03422	2.0
69.07067	7.0
69.57139	2.0
69.57547	0.8
71.05002	1.2
71.08250	0.8
71.08630	13.5
73.02917	2.7
79.05498	11.1
81.03405	2.9
81.06605	0.9
81.07059	15.6
82.44951	0.5
83.04980	6.5
83.08627	6.6
85.02910	9.1
85.06538	1.0
85.10184	7.4
89.06032	1.0
91.03956	6.0
91.05480	8.4
93.07045	12.5
95.04964	4.6
95.08612	14.3
97.02893	7.8
97.06528	3.2
97.10167	3.1
99.04433	2.2
99.08090	0.8
99.11730	0.7
101.02380	0.5
105.07008	2.6
107.04967	5.5
107.08601	7.0
109.02880	1.8
109.06504	0.7
109.10165	5.8
111.04452	7.7
111.08078	2.0
113.05997	1.2
113.09642	0.9
117.07013	4.7
119.08598	4.6
121.06506	2.0
121.10141	5.0
123.04438	1.3
123.08055	0.9
123.11727	2.4
125.06009	0.7
125.09639	0.9
127.03908	2.0
129.05476	0.5
129.07007	1.2
130.07816	1.0
131.08598	3.0
133.10130	1.1
135.08072	0.9
135.11696	7.6
137.09607	0.7
137.13216	0.5
143.08601	0.8
145.04956	2.6
145.06451	0.9
145.10129	8.7
147.08041	1.0
149.09650	2.6
155.08551	1.8
157.08603	0.5
163.06027	2.2
163.11191	9.5
165.09158	0.8
165.16371	0.6
173.09612	3.4
181.12225	1.5
191.10672	6.2
195.97827	0.5
209.11716	15.3
227.12822	4.4
239.23643	1.5
255.15900	4.3
257.24677	1.3
265.14490	1.2
283.15402	100.0
284.15775	1.0
293.27243	0.6
301.16425	4.5
313.27371	61.9
314.27704	1.5
512.17572	0.7
521.38422	54.6
522.38751	2.0
539.39465	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	898.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.9
67.05508	14.8
69.03409	1.3
69.06755	0.4
69.07071	6.0
70.10885	1.2
70.11282	0.8
71.04965	1.6
71.08634	11.9
73.02892	2.0
79.05096	0.6
79.05494	8.6
81.03414	2.3
81.06612	0.9
81.07054	12.9
83.04974	6.4
83.08617	6.8
84.49252	0.4
85.02461	0.6
85.02906	9.0
85.06514	1.4
85.09737	0.7
85.10184	7.3
89.06028	0.7
90.40105	0.5
91.03969	4.6
91.05013	0.5
91.05489	6.8
93.07044	10.9
95.04966	5.4
95.08611	13.2
97.02314	0.6
97.02895	7.0
97.06527	2.4
97.10180	3.6
98.18976	0.4
99.04444	1.7
99.11700	0.8
103.03938	0.6
103.07569	0.5
105.07029	3.3
107.04957	5.7
107.08007	0.5
107.08601	5.9
109.02838	0.7
109.06496	0.8
109.10150	6.1
111.03733	0.6
111.04438	7.6
111.08060	1.5
111.11662	0.7
113.06001	1.1
113.09636	0.9
115.03896	0.7
117.07010	4.9
119.08581	4.2
121.06489	1.3
121.10143	4.6
123.04412	1.4
123.08081	0.6
123.11705	1.5
125.02792	0.5
125.06003	0.9
127.03897	2.0
129.05537	0.7
129.06958	1.2
130.07800	1.1
131.08578	3.2
133.10103	1.2
135.08051	1.3
135.11696	8.1
135.12634	0.9
135.27937	0.5
137.09613	1.2
137.13252	0.5
145.04973	2.3
145.06479	1.3
145.10126	8.3
147.08043	1.1
149.09618	2.5
151.11182	0.5
152.58334	0.5
155.08495	1.1
163.06020	3.0
163.11182	8.1
165.09067	0.6
173.09616	3.5
173.80948	0.5
181.12222	1.4
185.13530	0.5
191.10680	5.4
209.11734	14.8
209.24748	0.6
227.12730	3.4
239.23683	1.2
255.15898	3.8
257.24677	1.3
265.14319	1.1
267.61725	0.5
283.15396	100.0
284.15796	2.2
301.16428	5.3
306.23199	0.5
313.27362	59.7
314.27948	2.1
510.08752	0.5
521.38391	54.5
522.38837	1.7
539.39392	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	898.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25581	1.2
65.03945	1.7
67.05505	27.7
68.66621	1.3
69.03431	3.7
69.07066	11.5
69.94958	7.1
71.01341	3.7
71.04979	2.7
71.08264	1.2
71.08630	27.3
73.02916	3.1
79.05490	27.7
81.03419	29.8
81.06608	2.3
81.07055	27.3
83.04986	18.4
83.08611	14.3
85.02910	12.6
85.10186	13.7
87.86829	1.2
91.03936	4.4
91.05485	10.0
93.07046	19.0
95.04971	8.4
95.08610	27.5
96.77610	1.1
97.02894	17.0
97.06519	5.8
97.10168	15.4
99.04420	1.8
99.17319	1.3
101.02379	1.5
103.07561	1.6
105.07020	5.4
106.06596	1.3
107.04950	23.9
107.07944	2.0
107.08595	11.9
109.02860	2.0
109.10152	11.4
111.04459	9.9
111.08067	3.8
111.11716	2.0
117.07011	5.3
119.08585	6.3
119.92176	1.4
121.06506	2.9
121.10131	7.1
123.08121	1.7
123.11701	2.9
125.09624	5.3
127.03912	2.5
127.96374	1.3
128.39853	1.4
129.05464	1.5
129.06956	2.1
131.08545	4.7
135.11685	12.7
137.09622	1.3
137.13251	1.4
141.91211	1.3
145.10153	13.0
147.08070	2.7
153.12750	20.0
155.08501	2.1
156.15924	1.4
163.11174	29.3
173.09650	6.6
181.12236	13.3
191.10651	16.0
199.13295	13.5
209.11734	16.9
215.27841	1.3
217.07069	2.6
227.12761	23.5
229.14326	3.5
236.47989	1.3
239.23639	4.8
247.84970	1.3
265.14359	15.2
283.15396	42.3
284.15674	1.4
291.26343	1.4
293.14450	1.3
301.16183	1.8
313.27353	100.0
314.27530	3.6
437.36270	4.1
455.37195	4.2
467.37357	13.7
499.69312	1.4
503.37189	7.7
521.38342	8.7
539.39441	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	900.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72226	0.6
67.05506	12.4
69.03398	2.0
69.07065	6.8
69.56901	4.0
71.04962	1.7
71.08633	20.0
73.02892	1.6
79.05495	8.5
79.06261	0.6
81.03419	51.5
81.07056	17.7
83.04955	2.7
83.08619	18.9
85.02912	6.4
85.10180	11.8
91.03958	3.7
91.05015	0.7
91.05486	9.1
93.06602	0.5
93.07041	5.9
95.04973	17.9
95.08608	16.3
96.59766	0.6
97.02886	4.6
97.06508	1.4
97.09620	0.5
97.10166	4.4
98.06904	0.6
98.21494	1.3
99.08054	0.9
99.11697	0.8
103.05381	0.6
103.07550	0.8
105.07026	6.8
107.04952	3.8
107.08562	2.7
109.02922	0.6
109.06483	1.8
109.10166	7.2
110.53186	0.7
111.04411	2.4
111.08075	4.9
111.11697	1.1
115.05445	0.8
117.07027	1.0
119.04928	0.8
119.08586	7.7
121.06504	1.8
121.10139	4.4
123.04413	1.5
123.08013	0.9
123.11671	2.6
125.09610	0.9
127.03899	1.3
129.06985	5.9
131.08566	5.2
133.06461	2.6
133.10112	3.3
135.11717	1.4
136.06155	0.8
137.13252	1.1
142.07715	1.1
145.04910	1.7
145.10097	1.5
147.08014	2.6
147.11687	5.7
149.09589	3.7
157.10123	6.5
163.05963	2.7
163.11125	2.1
165.12793	1.4
173.09605	0.7
175.11186	5.8
191.10582	0.8
193.12254	23.4
211.13249	1.6
235.13251	2.0
239.23692	2.0
249.14894	1.8
257.24707	1.4
259.13480	1.4
267.15921	100.0
268.16229	1.0
273.14914	1.3
283.15414	1.4
301.14102	1.3
302.16748	1.4
309.16904	2.1
313.27368	99.9
314.27710	3.4
319.15201	1.0
375.18262	0.7
447.16568	0.7
505.38895	81.1
506.39175	2.1
521.38947	0.7
523.39764	2.2
540.40228	0.9
547.39801	4.9
589.41321	0.8
601.41052	2.4
613.40857	1.1
631.42261	1.8
649.42804	1.2
883.94507	0.7
901.47272	2.1
912.37714	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	904.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.1
67.05508	28.1
69.03421	2.6
69.07074	8.2
70.41045	0.8
71.04983	2.8
71.49940	0.9
73.02932	1.7
79.05492	22.7
81.03419	26.3
81.07058	30.8
83.04984	6.8
83.08621	11.7
85.02907	17.5
85.06547	0.9
91.03960	5.1
91.05482	20.7
93.07047	23.5
95.04975	14.3
95.08607	22.3
97.02884	6.3
97.06522	2.6
97.10168	2.4
103.05451	0.9
105.07032	14.9
107.04939	3.1
107.08593	14.3
109.06509	2.7
109.10162	8.2
111.04453	1.4
111.08096	4.2
113.05994	1.0
115.05488	1.5
117.07024	3.4
119.08585	13.9
121.06441	1.1
121.10135	12.1
123.08070	1.5
123.11722	4.0
125.09629	1.1
127.03922	1.0
129.06993	4.0
131.08560	9.4
133.06499	1.5
133.10121	7.2
135.11716	6.7
137.09560	1.2
137.13257	0.8
142.07756	1.5
145.04971	1.8
145.10129	4.3
147.08057	1.9
147.11678	8.8
149.09612	2.2
149.13269	3.2
151.11223	1.0
153.73839	0.7
157.10124	7.3
159.11682	2.9
161.13316	1.4
163.06042	2.9
163.11169	1.4
163.14816	1.1
165.12778	2.2
173.13272	3.2
175.11180	6.3
175.14861	1.2
187.14742	1.0
189.11128	0.9
193.12231	19.7
193.13905	1.2
211.13286	32.6
227.12802	1.5
238.39740	0.8
243.21104	2.3
259.20508	0.9
261.22128	8.3
267.15933	8.8
285.16962	39.2
316.67575	0.8
317.24789	2.0
320.80817	0.8
335.25797	60.8
336.25635	0.9
408.44754	0.8
435.32260	1.1
436.93170	0.7
453.33893	1.2
471.34680	1.4
527.37384	13.3
545.38367	100.0
546.38672	2.1
563.39380	1.2
904.49286	1.3
909.66656	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	905.508
Annotation	C21217
Peak:m/z	Relative Intensity
67.05514	2.1
69.03430	2.7
69.07071	1.1
71.01373	0.6
71.08611	1.2
71.50542	0.5
73.02907	3.4
79.05497	1.2
81.03416	3.1
81.07072	2.3
83.04972	0.6
83.08646	1.1
85.02909	5.2
85.10194	0.9
85.93443	0.5
87.04487	0.5
91.03973	2.2
91.05467	1.3
93.07071	1.9
95.05002	0.9
95.08639	2.0
97.02888	5.4
97.06532	0.6
99.04474	0.6
101.02410	1.7
102.55186	0.4
105.07082	0.8
107.04976	0.6
107.08628	1.2
109.02912	1.0
109.10198	0.9
119.08614	1.2
121.10191	1.3
127.03961	2.0
131.08612	0.6
136.06247	1.7
136.19608	0.5
146.46710	0.6
157.10219	0.7
185.04327	0.9
193.12358	0.8
201.03740	0.6
243.08464	1.4
248.71831	0.5
266.54538	0.6
269.13580	0.7
283.15717	0.6
313.27127	1.0
347.09500	2.4
405.13632	4.2
416.29938	0.6
435.41168	0.6
443.18762	4.3
469.20837	1.3
487.21439	2.4
497.30856	5.8
592.23779	0.7
605.24261	4.2
631.25970	1.4
649.26764	4.3
659.36121	6.3
699.42938	1.3
725.44843	0.9
743.45715	1.2
861.48120	1.6
869.53302	0.6
884.61823	0.6
905.50726	100.0
906.51141	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	908.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.3
67.05505	20.4
69.03429	2.7
69.07070	16.9
70.79709	1.8
71.04986	2.8
71.08621	2.8
71.50322	0.9
73.02923	2.2
76.62159	0.8
79.05072	1.5
79.05493	14.0
81.02937	1.9
81.03416	35.4
81.07057	25.9
83.04980	8.6
83.08165	1.6
83.08622	24.0
85.02908	19.9
91.03951	6.8
91.05475	16.5
91.23898	0.9
93.07045	12.2
95.04967	13.7
95.08612	16.9
97.02875	5.9
97.06529	3.3
97.10176	8.3
99.04503	1.3
99.08099	1.1
105.07040	13.5
107.04957	4.7
107.08566	6.6
109.06538	1.7
109.10146	7.3
111.04453	1.7
111.08080	5.6
111.11736	1.2
117.06992	1.0
119.08575	8.7
121.10139	11.9
123.08063	1.4
123.11707	2.8
125.09624	1.8
127.03918	2.4
129.07007	5.2
131.08534	5.9
133.06450	2.1
133.10114	6.1
135.11681	3.9
137.09688	1.2
137.13258	1.1
142.07784	1.3
145.04947	2.9
145.10086	1.5
147.08067	1.8
147.11674	8.5
149.09625	3.0
151.14886	1.2
157.10136	7.5
163.06000	2.1
165.12805	2.0
168.94434	0.9
171.57729	0.9
175.11185	6.2
193.12236	23.7
199.84276	0.9
200.21561	1.0
211.13295	42.2
240.61562	1.1
265.25296	1.6
267.15897	13.2
285.16965	60.6
339.28937	56.9
340.29202	1.1
362.13745	0.9
531.40497	16.7
549.41504	100.0
550.41748	2.0
554.16565	1.0
715.97845	0.9
774.00592	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	912.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.5
67.05498	21.0
68.04500	1.2
69.03417	2.7
69.07069	8.9
70.15803	5.6
71.01346	3.5
71.04979	3.2
71.08630	23.3
73.02923	2.7
73.27602	1.1
79.05486	17.8
81.03415	24.4
81.07053	22.3
83.01321	2.4
83.04979	10.4
83.08609	11.3
83.21899	1.1
85.02912	14.5
85.06529	3.3
85.10175	13.0
91.03958	3.8
91.05474	10.9
93.07037	20.0
95.04977	7.7
95.08610	23.5
97.02879	10.5
97.06531	7.3
97.10135	5.7
97.68406	1.2
99.04476	2.0
103.07549	1.1
105.07021	5.9
106.43557	1.0
107.04945	18.7
107.08588	11.5
109.06515	7.9
109.10146	9.7
111.04436	19.9
111.05149	1.9
111.08066	3.9
114.32539	1.2
117.07005	7.2
119.08596	9.6
121.06514	7.6
121.10152	8.8
123.04362	1.4
123.07167	1.1
123.08055	5.4
123.11745	2.2
125.05983	5.4
125.09641	1.7
127.03971	2.0
129.06969	2.6
131.08525	6.0
133.10123	1.5
135.08066	2.0
135.11679	12.9
135.16338	1.2
137.09648	1.5
137.13228	1.5
139.07500	1.5
145.06483	2.1
145.10133	14.3
147.08029	4.4
149.09508	2.1
153.12727	6.9
155.08586	1.9
162.56038	1.2
163.05981	2.5
163.09888	2.1
163.11180	23.5
173.09622	7.2
177.12794	1.4
181.12209	4.6
191.10646	10.7
209.11719	7.7
223.13242	15.7
227.12683	6.9
239.23582	1.5
241.14355	25.9
265.14304	13.5
283.15408	25.7
297.17117	2.0
313.27341	73.9
315.18015	45.3
381.02823	1.2
467.18567	2.5
503.37183	11.8
510.34500	1.2
521.38367	100.0
535.40094	2.2
544.60956	1.5
553.40961	63.6
554.41107	1.5
669.27740	1.4
912.49768	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	914.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	10.1
68.38360	0.5
69.03416	1.1
69.07070	5.6
70.63113	1.2
70.63456	0.5
71.04974	1.0
71.08630	18.9
73.02898	1.2
74.11239	0.5
79.02824	0.4
79.05492	6.0
80.61990	0.4
81.03417	51.6
81.06622	0.9
81.07056	12.9
82.03736	0.5
83.04985	2.9
83.08616	17.9
85.02457	0.5
85.02901	5.5
85.06507	0.9
85.10181	12.7
89.06011	0.9
89.56477	0.4
91.03963	3.1
91.05480	8.8
93.07034	4.8
95.04412	0.9
95.04974	14.4
95.08609	15.0
97.02879	3.6
97.10172	3.7
103.07552	0.5
105.06425	0.6
105.07034	6.0
107.04927	3.7
107.08582	2.0
109.02834	0.9
109.06476	1.6
109.10149	6.2
111.04406	1.6
111.07333	0.7
111.08059	4.3
111.11664	0.6
115.05432	0.9
117.06961	1.0
119.04919	0.6
119.07823	0.6
119.08575	6.6
121.06457	1.6
121.10128	3.4
123.04405	1.3
123.08022	1.2
123.11720	2.8
125.09628	0.6
127.03892	0.8
129.06982	5.6
131.08560	4.2
133.06462	2.1
133.10135	2.7
135.11676	0.6
137.13232	0.7
145.04916	1.6
145.10104	0.8
147.04410	0.8
147.07979	2.5
147.11685	5.7
149.09584	2.9
157.08984	0.6
157.10130	7.0
163.06056	2.7
163.07245	0.6
163.11185	1.5
165.12730	1.5
165.16228	0.5
175.11163	5.9
193.12241	23.2
205.12210	0.8
211.13249	1.0
217.12202	0.5
223.13239	0.6
235.13303	1.7
239.23656	1.6
249.14890	1.3
257.24765	1.6
259.13315	1.9
267.15909	100.0
268.16174	2.0
273.14813	1.3
301.14413	2.0
309.16916	3.5
313.27359	97.6
314.27756	2.9
319.15396	0.8
333.17004	0.8
369.25894	0.5
393.19614	0.5
401.93512	0.5
505.38867	83.0
506.39130	3.9
523.40131	2.3
547.39813	6.0
589.41150	1.9
601.41272	2.7
613.41040	1.8
613.79492	0.5
631.42188	2.6
649.43011	1.9
789.06097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.547
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.1
67.05505	39.6
68.05818	0.4
69.03417	2.8
69.06694	0.6
69.07067	10.3
70.45512	0.9
70.45878	0.9
71.01350	1.4
71.04998	2.0
71.08630	22.4
73.02908	2.4
75.04477	0.5
79.05489	12.8
81.03414	4.9
81.07056	23.0
83.04984	4.0
83.08616	16.4
85.02903	19.8
85.06533	1.6
85.10187	10.7
87.04456	6.2
89.06020	1.0
91.03954	3.4
91.05470	4.1
93.07039	4.2
95.04954	2.0
95.07990	0.9
95.08604	20.2
97.02895	5.2
97.06515	1.8
97.10165	21.2
99.04449	1.0
99.08087	0.4
99.11736	0.9
101.02339	0.5
101.06009	0.5
103.03922	1.8
103.07563	1.1
105.07016	1.4
107.04939	1.5
107.08591	10.4
109.02875	0.4
109.06515	1.0
109.10153	34.4
111.04427	1.0
111.08073	1.6
111.11716	1.1
117.07001	1.6
117.09121	0.4
119.08563	3.0
121.06477	0.7
121.10155	1.9
123.08035	1.1
123.11700	2.9
125.09626	18.8
127.03908	1.6
131.08545	1.4
133.10100	0.9
135.11714	2.5
137.09628	1.5
137.13268	0.9
139.11182	0.5
143.10692	4.3
145.04939	1.8
145.10162	2.3
147.07947	0.5
149.09631	0.6
153.12730	2.2
155.10666	1.7
159.22627	0.4
163.06042	1.6
163.11179	3.5
167.35756	0.4
173.09604	0.7
173.10188	0.7
173.11723	9.6
181.12244	1.4
191.10660	1.6
193.12286	0.6
199.13293	13.5
209.11719	3.3
217.14365	1.7
220.19551	0.4
227.12784	15.6
229.14345	47.2
230.14761	0.9
239.23679	4.3
257.13889	1.1
257.24792	2.0
265.14352	1.2
267.15933	1.7
283.15442	4.4
301.16452	40.2
302.16925	0.6
313.27350	100.0
314.27625	2.1
319.17447	3.0
331.28613	0.8
341.26904	2.5
377.55859	0.5
397.29507	0.8
437.36176	7.9
455.37317	20.8
456.37646	0.7
463.21640	1.2
467.37326	27.7
468.37692	1.5
503.37375	0.8
505.38605	1.1
521.38281	1.7
539.39429	18.6
557.40466	8.6
701.44391	1.8
715.25671	0.4
905.22369	0.6
917.45801	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	916.547
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.0
65.44930	0.6
67.05502	37.4
69.03431	2.9
69.06693	0.7
69.07063	10.8
69.41690	5.1
71.01345	1.7
71.04978	1.9
71.08249	1.1
71.08626	19.2
71.09019	1.1
72.61913	0.5
73.02908	2.8
79.05493	13.1
81.03414	4.3
81.07052	21.7
83.04998	3.6
83.08113	0.7
83.08611	15.2
85.02901	22.4
85.06537	2.2
85.10179	12.6
87.04455	6.0
89.05978	0.7
91.03939	5.0
91.05458	4.9
93.07052	5.2
95.04939	2.0
95.08599	21.3
97.02888	6.5
97.06528	1.5
97.10165	20.6
97.10798	1.0
99.04442	1.0
99.08099	0.9
101.02356	0.7
103.03939	1.6
103.07612	1.3
105.07024	1.9
107.04952	1.9
107.08585	8.2
109.06533	0.8
109.10152	34.2
109.25927	0.6
111.04433	0.7
111.08074	1.3
117.07017	1.2
119.08561	3.4
121.10147	2.4
123.04438	0.6
123.08118	0.7
123.11729	2.8
125.09622	16.9
125.13285	0.6
127.03902	2.6
127.11177	0.7
131.08543	0.8
133.10063	0.9
135.11662	3.3
137.09630	1.4
137.13222	1.4
143.09650	0.6
143.10666	4.1
145.05000	1.6
145.10081	1.7
153.12737	2.0
155.10651	1.9
163.05940	2.9
163.11206	3.2
173.09576	0.9
173.10165	0.7
173.11722	10.8
181.12227	1.4
191.10658	1.8
193.12251	0.9
199.13293	9.5
209.11743	3.3
217.14336	0.9
227.12769	12.8
229.14337	45.5
239.23680	4.2
245.13872	0.6
257.13867	0.8
257.24759	2.2
265.14401	1.2
267.15912	2.0
283.15344	3.2
301.12976	1.3
301.16452	29.3
313.27347	100.0
314.27676	2.3
319.17322	1.4
319.29105	0.7
341.26788	1.7
380.88016	0.6
437.36191	6.7
455.37253	17.7
456.37622	0.7
463.21094	0.8
467.37347	27.7
505.39047	1.3
521.38171	1.5
539.39478	17.6
557.40411	5.7
701.44281	1.3
720.44690	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	916.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.0
66.12951	0.3
67.05508	39.0
69.03417	2.4
69.07071	9.2
69.41716	3.1
70.66354	0.5
71.01340	0.9
71.04992	2.0
71.08633	20.5
72.08939	0.4
73.02915	2.2
73.38625	0.4
79.05035	0.5
79.05495	11.2
81.03426	3.4
81.07056	20.7
81.07542	1.0
83.04990	2.8
83.08623	14.4
85.02908	14.3
85.06511	1.5
85.10184	10.9
85.16207	0.4
87.04480	4.0
89.06014	1.2
91.03962	4.1
91.05482	4.4
93.07038	3.7
95.04948	1.8
95.08609	17.9
97.02895	4.4
97.06531	1.5
97.10168	17.7
99.04452	0.8
99.08072	0.4
99.11724	0.7
101.06072	0.4
103.03917	1.7
103.07565	0.8
105.07007	1.2
107.04948	1.6
107.08588	6.9
107.90955	0.4
109.02853	0.6
109.10159	41.5
111.04443	1.1
111.08076	1.3
111.11733	0.6
117.06995	0.9
117.09118	0.5
119.08586	3.6
121.06458	0.5
121.10131	1.6
123.08066	0.9
123.11743	2.5
125.09634	13.3
125.13298	0.4
127.03900	1.4
131.08582	0.8
133.10152	0.5
135.11700	1.2
137.09618	1.3
137.13261	0.7
143.10687	2.9
145.04950	1.5
145.10118	1.5
151.14873	0.4
153.12737	1.1
155.10652	1.8
159.10042	0.4
163.06000	2.1
163.07303	0.4
163.11179	2.8
173.09648	0.5
173.11743	10.6
181.12189	1.0
191.10730	1.9
193.12244	0.7
199.13295	11.1
199.15048	0.8
200.13750	0.4
209.11703	2.8
217.14331	1.2
227.12782	5.5
229.14349	59.5
230.14758	1.3
239.23689	4.4
257.13870	1.8
257.24716	2.1
265.14594	0.5
267.15881	2.4
277.37628	0.4
283.15442	3.9
298.27512	0.5
299.14911	0.7
301.16464	27.6
302.16788	0.9
313.27368	100.0
314.27713	3.5
331.28351	0.5
334.15979	0.5
335.25540	0.4
341.26892	2.2
397.29733	0.5
437.36279	6.7
455.37332	14.7
456.37619	1.1
463.21948	0.6
467.37338	35.8
468.37558	2.0
503.37170	0.6
505.39331	2.0
521.38458	1.6
539.39435	14.8
540.40271	0.8
557.40466	2.4
701.44653	1.7
917.48566	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	919.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	1.3
69.03427	2.7
69.07079	0.4
70.75889	0.6
71.01361	0.4
71.05003	0.3
71.08640	0.9
73.02912	3.0
79.05494	1.5
80.53695	0.3
81.03408	2.3
81.07071	1.2
83.05009	0.3
83.08628	0.6
85.02901	4.2
85.03388	0.3
85.10204	0.3
87.04456	0.5
91.03957	3.1
91.05482	1.4
93.07061	1.0
95.04967	0.7
95.08622	1.1
97.02886	4.8
97.03457	0.3
97.06552	0.4
99.04466	0.6
101.02371	1.4
105.07065	0.7
107.08642	0.5
109.02905	0.9
109.06553	0.5
109.10149	0.7
111.08044	0.4
113.25654	0.3
115.03941	0.4
119.08610	0.5
121.10158	0.9
127.03956	1.2
129.07021	0.5
131.08604	0.5
133.10210	0.4
145.04990	0.4
145.10065	0.2
147.11728	0.7
149.09650	0.9
155.21889	0.2
157.10184	0.6
166.98882	0.3
175.11223	0.7
179.27762	0.2
185.04260	0.9
193.12338	1.0
203.05397	0.6
243.08334	1.5
259.08011	0.4
267.15964	0.6
269.12433	0.5
283.15079	1.7
313.27515	0.6
339.18057	0.8
347.09451	2.3
363.08734	0.4
365.10748	1.3
405.13644	5.5
405.18469	0.3
451.18976	0.3
452.00784	0.3
469.20416	0.6
497.30804	4.7
501.23029	9.4
631.25818	0.5
659.36151	5.7
659.46338	0.6
663.28418	8.6
664.29309	0.4
690.84399	0.3
757.46912	2.8
919.52295	100.0
920.52625	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	921.502
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	4.8
69.03443	2.9
69.07078	1.1
69.43436	5.1
71.08638	1.5
73.02917	2.6
77.33823	0.5
79.05489	1.2
81.03419	1.6
81.07066	2.6
83.08624	0.9
85.02891	5.1
91.03959	2.9
91.05473	1.0
95.08621	1.7
97.02884	3.8
97.10144	0.8
99.04492	0.8
101.02405	1.9
107.08619	0.7
109.02877	1.2
109.10148	4.4
127.03957	2.2
155.10690	0.6
163.12576	0.6
171.58392	0.7
173.11786	1.9
185.04301	0.9
195.09933	0.7
212.08540	0.6
229.14333	1.4
243.08472	1.9
244.25917	0.7
274.90558	0.7
282.95715	0.7
313.27478	1.0
325.88748	0.6
347.09732	2.4
363.09476	0.6
365.10510	0.7
405.13641	3.9
413.17639	7.3
443.73904	0.6
497.30826	5.3
562.42145	1.0
575.23145	9.6
659.36072	5.3
669.41687	2.7
730.57025	0.7
831.47064	100.0
832.47418	5.8
921.50134	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	921.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05325	1.8
67.05731	1.4
69.03247	1.4
69.03670	0.8
69.06922	0.4
69.45557	1.6
69.45977	0.8
71.01534	0.3
71.08488	0.6
71.08823	0.4
73.02729	2.1
73.03185	1.3
79.05341	0.4
81.03252	0.7
81.06874	0.8
83.08443	0.6
83.08879	0.3
85.02689	3.5
85.03273	1.5
85.10004	0.4
87.04321	0.3
91.03732	2.4
91.04344	0.6
91.05334	0.3
93.06876	0.5
95.08379	0.9
97.02660	3.8
97.03358	1.0
97.10011	0.4
99.04242	0.8
99.04799	0.3
101.02146	1.1
102.73114	0.3
109.02708	0.6
109.09908	3.3
109.10741	0.7
115.03715	0.4
119.08394	0.6
123.11473	0.4
127.03652	1.4
127.04636	0.6
145.04817	0.4
152.78328	0.3
162.07468	0.5
173.11411	1.0
173.12770	0.3
185.04034	0.6
197.57295	0.4
203.05038	0.6
229.14041	1.1
243.08049	1.5
267.31525	0.4
313.27142	0.5
347.09412	2.4
363.09030	0.4
365.10223	1.0
405.13580	4.0
413.12454	0.5
413.17767	8.2
414.18152	0.3
479.41370	0.3
497.30847	4.7
498.31076	0.4
573.14661	0.4
575.23077	10.0
659.35956	4.8
669.41675	2.4
685.95227	0.4
831.47064	100.0
832.47345	6.3
832.62750	0.6
875.49475	0.5
903.48669	0.8
921.49341	18.2
922.49384	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	921.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.2
69.03423	2.2
69.07081	0.4
71.01359	0.5
71.05000	0.7
71.08635	0.6
71.49838	0.4
73.02907	3.0
76.24331	0.3
81.03419	1.1
81.07054	1.2
83.04984	0.3
83.08626	1.0
85.02901	5.1
85.10175	0.5
87.04453	0.5
91.03962	3.4
91.05453	0.5
93.07036	0.4
95.04977	0.3
95.08605	1.2
97.02891	4.1
97.10213	0.3
99.04453	1.0
101.02394	1.2
103.03986	0.3
106.18608	0.2
109.02895	0.8
109.10162	3.1
115.03915	0.3
119.08578	0.3
121.10149	0.3
127.03931	1.5
145.04938	0.6
155.10680	0.4
173.11760	1.5
185.04306	0.9
194.62787	0.3
195.10002	0.8
203.05260	0.7
229.14391	0.9
243.08476	1.4
313.27448	0.8
347.09457	2.2
363.09131	0.5
365.10663	0.9
405.13647	5.1
413.17783	7.8
497.30841	4.6
507.36929	0.5
575.23071	9.6
576.23126	0.4
659.36005	6.1
660.36774	0.4
669.41821	3.0
831.47052	100.0
832.47308	4.0
850.78815	0.3
875.49640	0.4
903.49518	0.8
921.49878	8.5
922.49847	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	954.615
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	58.1
69.03439	2.3
69.07070	13.4
71.49469	3.2
73.02919	4.4
79.05500	36.8
81.07056	56.4
83.08612	7.8
85.02901	12.9
91.03958	10.8
91.05482	22.3
93.07044	46.3
95.04998	2.2
95.07999	2.9
95.08602	47.5
97.02881	7.6
97.06547	2.1
97.10155	4.6
105.07022	18.1
107.08590	28.5
109.06544	2.6
109.10155	23.9
117.07023	6.3
119.08588	14.2
121.10150	21.2
123.11699	8.3
127.03906	5.8
129.07043	2.1
131.08582	12.5
133.10107	12.4
135.11671	18.9
137.13235	2.6
139.11188	2.1
143.08571	2.8
145.04944	5.5
145.10083	10.8
147.11676	10.4
149.13257	12.2
157.10106	3.0
159.11725	7.9
161.13220	9.0
163.06079	8.8
163.14827	6.2
173.13228	8.7
175.14815	3.8
177.16394	3.2
177.44133	1.8
185.13332	2.1
193.09892	1.8
237.82649	1.8
241.19667	3.0
243.21016	7.5
259.20544	10.5
261.22189	23.0
317.24869	3.4
333.24179	12.1
335.25797	100.0
337.27237	12.9
464.25476	1.9
521.43439	3.7
595.47125	19.0
613.39130	2.6
613.48279	27.5
683.51495	2.4
954.58716	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	964.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	42.2
69.03413	6.1
69.07067	21.9
69.21950	24.3
69.93984	2.0
71.04993	4.7
71.08627	25.2
73.02899	4.0
79.05487	29.7
81.03410	12.1
81.07058	51.4
83.04969	6.7
83.08617	16.7
85.02898	10.3
85.06541	3.7
85.10184	19.1
85.79700	2.4
91.03959	4.1
91.05479	36.3
93.07040	37.1
95.04959	7.2
95.08603	39.8
97.02885	5.8
97.06530	7.3
97.10168	6.0
98.21542	4.8
99.04477	3.3
99.08109	5.1
99.20688	2.2
105.07025	28.6
107.04938	7.0
107.08580	17.9
109.02924	2.8
109.06514	4.3
109.10153	19.2
117.07021	13.3
119.08588	21.1
121.06489	4.5
121.10152	12.9
123.11683	6.8
125.09698	2.4
127.03892	6.0
129.06998	5.8
131.08588	13.2
133.06496	2.4
133.10120	15.5
135.11685	12.5
143.08539	5.4
145.04898	2.8
145.10098	9.3
147.11687	6.9
149.09633	6.3
149.13261	6.4
157.10057	3.2
159.11665	6.7
163.05965	2.9
163.11203	4.5
165.05385	3.3
169.10101	2.7
173.04353	3.9
173.13243	3.8
177.12735	3.6
179.14308	2.1
195.13870	3.1
209.04874	2.2
217.15862	3.1
227.12810	5.3
229.14296	5.2
239.17932	2.6
239.23647	5.5
249.78468	2.3
255.15811	8.9
257.19025	5.8
269.17514	27.9
275.20074	24.6
291.19495	4.4
293.21198	2.5
309.20587	8.4
312.62527	2.2
313.27377	100.0
321.24423	2.4
331.22870	3.3
339.62927	2.4
346.63861	2.9
349.23691	28.0
367.24997	3.7
467.13370	2.2
467.37308	5.3
493.38998	13.8
507.40399	79.0
511.28815	2.7
547.43634	28.7
587.46771	40.5
605.47272	9.0
625.82715	2.5
629.75867	2.6
651.70404	2.4
657.71759	2.2
862.19531	2.7
937.98206	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	969.5971
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05462	1.1
69.19093	3.2
70.06548	0.9
71.95210	0.8
72.96056	0.3
74.97577	0.5
79.05465	0.6
81.03367	0.7
81.07026	0.7
83.08577	0.4
84.96003	0.5
86.09660	0.3
91.05444	0.8
93.06987	0.9
95.04936	0.6
95.08575	0.4
97.06464	0.3
97.10161	0.4
98.97549	0.4
105.06970	0.5
107.08515	0.4
109.10133	0.6
110.97528	0.4
116.98570	0.8
119.08556	0.3
121.51933	0.3
123.01127	0.3
128.98570	1.2
134.99641	0.5
141.02167	0.4
146.99655	2.6
147.03265	0.4
147.11665	0.3
149.01152	0.3
155.03697	0.6
157.01721	0.4
159.03258	0.3
161.01167	0.4
163.03885	0.3
164.64012	0.3
165.00665	0.7
167.02411	0.3
169.01688	0.3
169.05331	0.5
169.98694	0.4
171.03230	0.5
173.01262	0.4
173.04805	0.4
175.02736	0.7
181.05351	0.3
183.03345	0.5
185.01149	0.5
185.04829	1.2
187.02681	0.9
187.06403	0.5
187.99870	0.4
189.04294	1.4
193.03719	0.6
195.10620	0.3
197.04875	0.5
198.05632	0.6
199.02782	0.4
199.06372	2.3
201.04205	0.4
201.07831	0.3
203.05873	2.4
205.07419	1.1
209.04884	0.3
210.02112	0.4
211.06374	0.9
213.04320	0.4
213.07961	1.8
215.05803	0.7
215.09360	0.4
217.03853	0.3
217.07471	4.0
219.11530	0.3
221.06886	0.6
223.02716	1.2
223.06483	0.6
223.08498	0.7
225.07927	1.4
227.05881	0.8
227.09491	0.7
229.07442	1.1
229.11168	0.4
231.08958	2.5
237.04211	0.6
237.08005	0.8
239.09473	1.2
241.03757	0.3
241.07428	1.0
241.10828	0.4
243.08931	1.5
245.06944	0.8
245.10521	1.0
249.11568	0.4
251.05782	0.5
251.09464	0.8
253.11108	1.3
255.09096	0.8
255.12526	0.3
257.10547	2.3
259.08667	0.4
259.12082	0.3
260.09421	0.3
261.10092	0.9
262.08670	0.4
265.11148	0.4
267.12610	0.4
269.10593	2.5
271.12073	0.9
275.11566	0.8
277.07474	0.5
279.08994	1.0
280.09802	2.0
287.11719	1.3
293.10635	0.3
293.14383	0.4
295.11987	0.3
297.10120	1.0
297.13495	0.4
298.10754	0.8
303.16330	0.5
305.18015	0.5
307.15729	0.8
312.08652	0.3
319.15924	0.3
323.18884	0.5
331.11697	0.7
331.15775	36.5
349.16846	76.5
350.17297	0.7
367.17914	42.3
368.18222	0.7
372.18445	8.1
385.19049	1.0
390.19516	6.9
391.19748	0.4
641.37238	4.4
659.38251	100.0
660.39026	1.4
969.50323	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	975.6438
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49908	0.5
71.95220	0.6
72.67472	0.4
74.97576	0.5
79.05417	0.4
81.03363	0.5
81.07025	0.5
86.09669	0.4
87.18949	0.4
91.05451	0.6
119.08581	0.4
123.01128	0.4
128.98578	0.5
133.01674	1.1
141.02138	0.5
147.03285	0.5
155.03719	0.7
159.03268	0.6
171.03270	0.4
173.04749	0.5
183.03227	0.7
185.04800	0.7
187.06360	0.7
189.04359	0.5
189.07939	0.8
199.06425	2.5
201.04257	0.4
201.07942	1.0
203.05824	1.7
203.09541	1.0
205.07390	1.0
209.08340	0.5
211.06334	1.0
213.07925	1.7
215.05765	0.4
215.09526	0.6
217.07445	4.5
219.09035	0.9
221.10623	0.8
225.07938	0.9
227.09525	2.0
229.11143	0.5
231.09116	1.9
233.10600	0.8
237.04265	0.5
237.07950	1.2
239.09506	0.6
241.07491	0.6
241.11055	0.6
243.08936	1.9
243.12634	0.7
245.10574	1.2
249.07999	0.4
251.09422	0.7
253.11137	1.4
255.09023	0.7
257.10599	0.7
259.83722	0.4
261.10086	0.5
267.09259	0.6
267.12497	0.4
269.10559	1.0
269.14328	0.5
271.12009	1.3
277.14883	0.4
281.10693	0.7
285.10089	0.5
287.11789	0.5
295.12097	1.5
295.15662	0.4
299.11740	0.6
305.17694	0.4
307.19308	0.6
309.17172	0.5
313.13303	0.6
315.16238	0.8
323.19089	0.8
333.17325	17.2
334.17947	0.7
351.18408	79.4
352.18698	2.1
369.19476	73.3
370.19699	2.0
374.20059	6.5
387.20190	2.2
392.21057	10.1
550.47589	0.5
645.40710	3.8
663.41400	100.0
664.41913	2.9
805.32538	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	1007.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00046	0.8
70.00464	0.4
71.01257	2.3
72.99158	0.2
75.02238	0.3
76.65648	0.2
81.03320	0.8
83.04892	1.6
85.02808	0.7
89.02303	1.0
93.03332	27.0
94.03651	0.5
95.01254	6.3
97.02826	1.2
101.02312	3.9
107.04893	0.8
108.02020	0.4
109.02817	0.7
111.04385	1.9
113.02317	0.5
119.03351	0.4
119.04874	0.5
121.02847	1.7
121.06483	0.4
123.03517	0.5
123.04395	7.9
127.03897	0.7
131.04926	0.4
133.06429	0.2
134.03586	0.3
134.24844	0.2
135.03398	0.5
135.04410	9.9
137.02333	13.8
143.04886	0.7
145.06453	0.5
147.04402	1.1
148.05190	0.3
149.02324	3.0
149.05994	1.3
151.03876	1.1
155.03394	25.8
161.05940	1.0
162.03119	1.4
163.03906	6.2
171.04439	1.4
173.05991	0.5
175.03876	1.3
176.04689	0.6
177.05496	4.8
179.03423	0.5
180.03952	0.2
189.05510	2.0
191.03412	3.9
191.05299	0.4
191.07172	0.2
194.02190	0.6
199.03835	0.7
207.06503	0.7
217.05000	3.6
233.04488	0.3
235.06076	10.0
236.06425	0.3
251.05533	0.6
267.08545	0.3
279.05075	10.4
279.08652	1.1
311.07700	4.2
349.09290	1.6
363.10806	0.3
381.11914	0.4
543.17145	100.0
544.17499	5.4
680.21460	0.3
703.46429	0.3
882.77161	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	1009.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	7.1
71.58936	1.4
71.59337	1.5
77.03835	1.7
81.03319	3.2
83.04886	2.8
85.02814	16.0
87.00756	13.6
93.03331	81.9
94.03671	2.4
95.01198	2.0
95.04850	1.9
96.95872	4.8
99.00706	2.0
99.04443	1.5
105.03359	7.3
108.02067	1.5
109.02840	7.0
111.00713	1.5
111.04397	12.0
113.02306	1.7
117.03358	1.4
121.02846	2.5
122.03645	1.9
123.04362	2.2
124.01544	3.6
125.02344	2.3
127.03909	3.8
132.02034	3.5
133.02849	43.5
134.03679	10.9
135.04408	70.4
137.02342	8.5
139.03920	1.6
150.03127	4.0
151.03812	6.3
155.03369	5.8
158.03571	1.4
160.01537	3.2
161.02345	8.9
173.03075	2.2
173.04471	29.5
173.05800	1.2
177.01851	14.4
178.02576	8.8
179.03412	16.9
179.20621	1.0
187.03883	1.4
191.05534	100.0
192.05818	3.0
209.11696	5.6
211.13318	2.8
215.05539	5.3
277.04410	1.1
283.13486	1.6
296.13943	1.2
306.43701	1.1
307.08456	1.4
308.08929	3.1
309.14868	1.9
327.16006	5.2
351.07477	8.3
352.07971	2.3
353.13928	2.5
791.38782	2.7
817.36340	23.7
818.36664	2.4
835.37347	6.9
958.32599	1.3
991.41711	2.4
1006.30939	1.4
1009.42786	94.7
1010.42889	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	1011.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	2.7
71.54627	0.5
72.99160	0.5
81.03332	1.4
83.04890	1.0
85.02819	8.7
87.00763	5.7
93.03334	38.6
94.03671	0.8
95.01260	2.4
97.02854	0.5
97.06507	0.6
98.95913	0.5
99.04378	0.8
101.02330	1.5
104.11012	0.4
108.02055	0.5
109.02850	5.5
111.04396	6.4
113.02322	0.6
117.37778	0.4
121.02850	2.1
123.04401	3.9
125.02220	0.4
127.03883	2.8
133.02843	2.1
134.03621	9.5
135.04445	5.7
136.01567	4.1
137.02339	12.4
149.02322	1.2
149.05902	0.6
151.03937	3.1
154.02588	0.9
155.03404	10.2
162.03078	0.9
163.03911	2.3
171.02921	1.3
171.04373	0.5
173.04462	24.5
175.03979	0.6
177.01720	0.6
177.05495	1.3
178.02650	0.9
179.03365	0.5
189.05466	1.0
191.05530	100.0
192.05827	2.6
217.05020	1.0
229.69432	0.5
231.10237	1.7
233.06445	0.6
235.06151	3.3
264.04831	0.6
276.95660	0.4
279.05087	3.5
279.08112	0.7
293.10248	7.1
311.07840	1.4
352.08041	0.7
370.08969	1.1
395.58472	0.5
402.35599	0.5
437.14508	5.8
449.14731	2.5
467.15558	77.6
468.15955	5.1
487.19690	0.5
543.17194	39.7
544.17645	4.3
545.17944	1.6
546.18091	1.1
547.18372	0.7
837.31744	0.5
920.16974	0.6
1033.92969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.5643
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02837	0.5
80.02543	0.8
81.03317	0.3
81.21300	0.2
83.04895	1.4
85.02838	1.4
87.00733	0.3
87.04377	0.6
93.03319	1.6
95.01218	0.5
95.04890	0.5
96.95876	1.4
97.02820	0.4
97.06476	1.7
98.03596	0.5
101.02309	0.4
108.02021	0.3
109.02862	0.2
109.06469	1.0
110.03599	0.4
110.47862	0.2
111.08036	8.6
118.32307	0.2
122.03605	0.3
123.04481	0.4
123.08064	1.8
125.05980	0.6
125.09605	15.0
127.03966	0.2
127.11171	5.8
133.02847	0.4
135.04398	0.8
135.08046	1.2
137.08536	0.3
137.09613	5.6
139.05737	0.2
139.11162	0.9
141.09050	1.5
142.02690	0.3
143.10675	0.4
149.09628	0.4
151.07576	0.5
151.11162	3.4
151.79832	0.2
153.09116	2.4
155.03354	0.3
155.10646	2.4
157.12164	0.4
163.11195	0.7
164.08318	1.9
165.09094	2.3
167.10692	0.5
169.08554	0.3
169.12227	0.8
171.10175	8.5
172.10577	0.2
173.04449	0.6
177.09126	0.5
177.12727	0.5
179.03452	0.3
181.12292	0.3
183.10193	0.9
187.09702	0.3
188.78044	0.2
191.05539	3.8
192.05846	0.3
195.10182	2.9
199.09708	1.6
199.13351	0.7
201.11244	40.5
202.11572	1.0
207.10175	2.2
209.11754	5.2
211.13387	0.4
213.11255	30.1
214.11644	0.6
225.11292	1.0
227.12852	1.5
231.10161	0.3
245.19034	1.5
250.12082	1.0
252.13763	0.3
253.09149	0.4
255.15990	0.7
263.20190	0.7
279.19611	0.6
289.18069	10.4
290.18301	0.3
307.19125	23.4
308.19485	0.9
325.20169	100.0
326.20514	3.9
417.22626	0.3
461.20383	0.5
495.16440	0.2
570.25995	0.3
635.30701	1.8
653.31427	1.8
671.32892	1.9
940.32227	0.3
989.12225	0.3
1011.43506	0.3
1029.51746	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	1031.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03329	0.5
85.02814	1.6
87.00734	1.2
93.03333	5.0
94.03677	0.4
95.01268	0.7
96.95895	1.2
99.00786	0.3
101.02327	0.4
107.04925	0.3
109.02845	3.7
111.04389	0.6
120.99608	0.3
121.02837	0.9
122.33591	0.4
122.51612	0.3
123.00754	1.6
123.04388	0.4
127.03866	0.3
133.02821	0.4
134.03572	0.3
135.04422	1.4
136.01553	2.0
137.02339	24.2
138.03102	1.4
139.00262	0.4
139.03987	0.4
139.05090	0.3
145.02814	0.4
147.00775	0.5
148.01566	0.5
149.02351	1.4
150.03117	1.0
151.00272	5.9
151.03932	3.5
152.01033	0.6
152.04692	1.2
153.01857	0.6
153.05466	1.1
155.03401	0.8
161.02382	1.4
162.03128	0.9
163.00313	0.7
163.03931	1.5
164.01056	2.2
164.04765	1.7
165.01843	100.0
165.05450	1.7
166.02618	14.6
167.03354	1.7
173.04472	2.7
174.04855	0.4
175.03954	1.1
176.01062	1.0
176.04742	0.7
177.01823	2.0
177.05507	1.0
178.02646	0.5
179.03423	18.9
179.06960	1.7
180.04201	45.7
181.04980	36.3
182.05345	0.8
187.04013	0.7
187.05751	0.3
191.03494	1.0
191.05527	9.0
191.07051	0.6
192.04224	1.9
192.05814	0.6
193.05025	1.0
194.05775	4.1
195.02922	2.4
195.06558	56.0
196.06944	1.2
205.05000	2.5
207.06604	3.2
208.03706	0.5
209.08134	6.6
210.05287	8.6
211.05896	0.8
219.06589	0.9
220.07368	1.7
223.06125	1.1
225.07640	38.0
226.07999	0.7
344.08960	0.4
345.09729	0.7
359.11472	0.9
371.11160	0.7
387.10666	0.7
387.14908	0.7
402.13159	1.0
403.13962	0.9
416.14722	1.6
417.15558	8.9
449.14468	1.5
450.14673	0.5
451.15613	0.6
467.15472	1.1
481.17242	2.1
563.21368	1.3
565.17651	1.4
580.19629	0.9
581.21307	0.5
594.20984	5.0
595.21826	20.3
596.22449	2.0
625.23022	1.9
642.22882	1.5
643.23901	12.8
643.34692	0.4
644.24194	1.1
648.55707	0.4
649.22321	0.5
697.24512	0.9
757.33264	0.4
773.28058	7.0
774.28546	0.5
803.28815	2.0
821.30298	11.3
822.31177	1.3
833.31238	0.4
851.31024	2.9
869.32318	17.9
870.32813	2.4
979.37628	0.4
1031.37830	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	1041.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02810	1.0
75.18284	0.7
77.00148	0.7
81.03331	2.7
83.04900	3.2
85.02818	16.2
87.00751	15.0
89.03868	1.0
92.19387	0.7
93.03329	83.4
94.03666	1.9
95.01272	1.8
95.04909	2.0
96.95889	1.4
97.02809	0.8
99.00764	1.8
99.04372	0.9
101.02361	0.9
105.03341	5.9
107.04926	1.4
108.02052	2.3
109.02818	6.2
109.06464	0.7
111.00751	1.2
111.04398	9.7
113.02308	0.7
115.03844	0.8
121.02827	2.3
122.03669	0.7
123.04406	2.0
124.01538	3.6
125.02319	1.6
127.03886	4.3
129.01833	1.6
132.02058	4.7
133.02841	46.1
134.03648	10.0
135.04402	75.9
136.04756	1.0
137.02336	6.8
139.03883	2.2
149.02318	1.5
150.03160	5.1
151.03903	6.2
155.03421	5.7
159.04482	0.9
160.01563	3.9
161.02354	11.1
163.03851	0.7
171.02884	1.3
172.05266	0.7
173.04462	28.5
173.05957	1.7
174.03192	0.7
177.01839	12.1
178.02635	8.4
179.03404	16.0
187.03940	0.9
191.05525	100.0
192.05902	2.1
200.04739	1.0
209.11766	6.1
211.13329	2.7
215.05511	7.9
223.13319	1.3
283.13287	1.3
299.16708	1.1
301.14377	0.8
307.08224	1.8
308.08954	2.3
309.15024	1.5
325.14337	1.1
327.12469	1.0
327.15970	4.6
351.07166	11.5
352.07959	2.1
353.13846	2.8
371.15030	1.3
458.40448	0.7
773.37390	0.9
791.38208	3.1
817.36401	17.1
818.37292	1.4
835.37018	3.1
849.38782	9.4
867.39990	2.8
991.42310	1.3
1009.42761	38.4
1010.42804	4.0
1041.45435	97.5
1042.45667	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	1057.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01249	1.0
85.02821	6.8
87.00758	2.4
89.02307	23.2
92.28481	0.8
93.03330	9.1
95.01257	10.1
95.04881	1.9
97.02822	51.4
101.02324	18.6
105.03331	2.5
105.63548	0.9
108.02057	1.2
113.02323	11.3
119.03387	10.0
119.04853	1.1
121.02842	2.5
121.06470	3.3
123.03516	1.4
123.04406	22.8
141.01808	1.5
143.03424	0.9
147.04443	1.1
149.05975	16.1
155.03401	36.2
156.03722	0.9
161.04472	1.9
167.07025	5.8
179.05472	4.6
193.04985	33.3
194.05338	0.9
233.96742	0.9
234.00053	0.9
256.08554	0.9
359.14108	1.3
373.11353	100.0
374.11490	4.9
395.11639	0.9
419.15414	4.8
451.14426	16.6
498.74655	0.9
503.17773	2.7
521.18951	21.0
553.29419	0.9
683.23975	19.0
684.24506	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	1075.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03333	0.6
83.04885	1.3
85.02830	0.8
89.02301	0.9
92.99878	0.2
93.03331	24.5
94.03670	0.5
95.01263	6.4
95.04913	0.4
97.02805	1.3
98.20663	0.5
99.00711	0.2
101.02319	3.4
107.04914	0.6
108.02026	0.4
109.02841	0.4
111.04388	2.5
113.02344	0.6
119.04895	0.5
121.02852	1.5
121.06485	0.4
123.04405	8.4
127.03915	0.5
133.06488	0.4
134.03603	0.3
135.04408	10.3
137.02341	12.9
138.02644	0.4
143.04919	0.5
145.06519	0.5
147.04419	1.4
148.05138	0.4
149.02319	2.4
149.05959	1.1
151.03944	0.8
155.03395	24.6
156.03627	0.3
161.05992	1.5
162.03142	0.9
163.03915	6.8
171.04402	1.3
173.05971	0.3
175.03941	1.0
176.04697	0.8
177.05481	4.5
179.03340	0.4
189.05495	2.2
189.97176	0.2
191.03412	3.8
191.05492	1.9
191.06995	0.4
194.02113	0.5
199.03900	0.8
199.07599	0.3
207.06485	0.6
217.05026	2.9
229.84671	0.4
235.06078	10.1
236.06439	0.5
250.09935	0.3
251.05499	0.5
267.08817	0.3
277.22760	0.2
279.05115	10.0
279.08643	1.5
280.05411	0.5
311.07700	4.2
349.09271	1.5
363.10767	0.3
543.17145	100.0
544.17468	6.6
545.17957	0.3
857.97876	0.3
1103.35608	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	1083.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
79.36176	0.9
85.02829	2.4
89.02316	6.1
93.03311	5.0
95.01264	31.2
95.81850	1.0
97.02847	0.9
101.02329	25.7
109.02844	1.1
113.02322	3.7
119.03400	3.8
121.02837	13.1
123.04400	29.9
123.05282	1.6
127.03982	1.2
135.04405	6.6
137.02338	2.0
139.00307	1.0
139.62338	0.8
143.03397	1.6
149.02345	66.4
152.01065	11.1
155.03400	94.0
156.03764	2.5
161.04494	0.9
163.03911	12.4
164.04701	40.5
165.01842	3.2
165.05006	1.3
167.03459	2.3
169.04971	6.5
179.05495	2.6
179.07001	12.7
191.05479	1.7
193.01347	40.3
208.03709	63.3
209.04089	1.9
223.06062	100.0
224.06448	3.5
269.78217	1.0
355.99960	0.8
362.64664	1.0
385.11426	23.2
393.43527	1.0
418.18161	1.0
433.17172	26.2
434.17639	1.1
465.16122	46.5
466.16211	2.4
485.16599	5.4
503.17923	2.0
517.18805	1.2
535.20306	50.2
536.20673	3.5
665.22455	1.9
697.25555	40.9
698.26447	3.9
828.49280	1.0
956.92712	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	1085.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02535	0.1
81.03329	0.3
83.01272	0.3
83.04897	0.6
84.02039	0.1
85.02819	3.3
87.00729	0.1
89.02312	1.7
93.03320	0.5
95.01257	3.5
95.04905	0.7
97.02811	0.7
97.06465	2.3
99.04329	0.1
101.02319	12.3
101.85741	0.1
102.00495	0.1
102.02670	0.1
106.04112	0.1
107.04961	0.1
108.02052	0.3
109.02843	0.3
109.06459	0.2
110.03628	0.2
111.04365	0.2
113.02330	2.0
115.03897	0.1
119.03375	1.0
119.08512	0.1
121.02822	0.6
123.00731	0.1
123.04408	7.1
123.08043	0.3
124.04671	0.1
125.02367	0.2
125.09595	0.8
127.03934	0.1
127.11177	1.1
131.03362	0.2
137.02371	0.2
137.09596	0.7
143.03404	1.1
147.04437	0.1
149.02351	0.4
149.04404	0.1
151.03844	0.1
155.03401	11.7
155.10681	0.5
155.14331	0.4
156.03706	0.2
161.04454	2.6
163.11154	0.3
165.05421	0.1
165.12752	0.8
167.10687	0.2
167.14262	0.6
169.04953	0.7
171.10178	8.1
172.10562	0.2
175.03958	0.2
175.11136	0.2
177.09131	0.1
177.12766	0.8
179.05525	0.9
179.06993	0.1
181.04985	0.9
181.12253	0.3
183.13838	2.7
185.11784	0.9
191.05544	0.2
193.04955	0.2
193.12251	1.1
197.04498	0.6
197.11740	0.5
199.13316	0.2
201.11192	0.2
203.10686	0.3
207.06514	0.2
209.11780	1.3
211.13327	15.0
212.13698	0.8
221.11772	2.7
223.13422	0.1
225.07631	3.4
227.05605	0.2
227.12816	0.2
229.14395	10.9
230.14734	0.4
239.12827	1.7
247.20602	0.3
257.06616	0.2
273.18619	0.1
291.19650	2.5
292.19931	0.1
309.09741	0.5
309.20691	0.6
317.08743	1.7
327.21741	100.0
328.22095	5.2
367.40881	0.1
387.13062	0.2
409.66214	0.1
454.70328	0.1
471.15048	6.4
472.15414	0.3
489.16080	2.1
490.16382	0.1
525.16150	1.2
530.62653	0.1
554.95563	0.1
595.20349	3.1
596.20789	0.3
725.23444	0.2
757.25641	1.9
774.04791	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47005	2.3
55.01755	20.9
67.01755	27.3
68.99689	3.0
69.07908	2.2
71.01239	3.5
71.57262	2.5
78.95776	45.6
79.95596	3.4
81.03332	4.5
83.01251	52.9
83.04896	9.0
84.01602	2.5
84.04418	4.3
89.10454	2.2
93.03340	6.1
110.89796	3.2
110.97472	6.3
111.00762	100.0
111.01922	5.6
111.04395	8.1
112.01089	5.0
112.03918	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	1135.6396
Annotation	Unknow
Peak:m/z	Relative Intensity
78.52884	0.3
78.95770	27.6
96.96841	2.3
98.19770	0.8
150.97931	0.5
152.82159	0.3
152.99481	39.2
171.00548	10.0
191.05577	0.3
227.03238	2.4
242.72592	0.3
245.04276	52.4
246.04611	0.8
253.21687	23.2
254.22038	0.7
304.62320	0.3
449.44052	0.4
481.25677	100.0
482.26035	4.3
491.64944	0.3
849.46118	0.3
1135.49976	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	1145.6594
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03335	0.9
83.04893	0.8
85.02822	5.5
87.00747	5.4
93.03335	34.1
94.03691	0.5
95.01273	0.4
95.04845	0.1
96.95921	0.2
97.02800	0.2
97.06476	1.2
99.00764	0.5
99.04398	0.6
100.03043	0.1
101.02341	0.3
105.03357	0.3
106.04095	0.2
107.04932	0.3
108.02035	0.9
109.02834	2.2
110.65640	0.1
111.00767	0.3
111.04398	5.4
113.02332	0.5
115.03879	0.3
117.03314	0.4
119.04866	0.2
121.02848	1.5
122.03626	0.3
123.04407	0.4
124.01542	0.2
124.58604	0.1
125.02308	0.2
126.01798	0.1
127.03884	1.4
129.01823	1.1
132.02071	0.5
133.02852	3.3
134.03633	23.5
135.04427	7.7
136.01564	2.3
136.04765	0.2
137.02339	15.1
138.02686	0.2
139.03906	0.4
143.03386	0.3
145.02824	0.2
150.03093	0.4
151.03905	2.7
153.01820	0.4
154.02623	1.1
155.03386	2.7
160.01566	1.9
161.02094	0.2
162.03142	0.4
165.01840	0.1
171.02913	1.6
173.04468	38.2
174.04823	0.7
177.01842	2.7
177.05478	0.2
178.02629	8.0
179.03423	3.1
187.07607	0.6
189.03981	0.6
191.05533	56.7
192.05888	1.3
195.02959	0.3
213.09178	0.4
219.10216	0.4
231.05116	0.3
231.10225	4.0
232.05699	0.2
233.06613	0.9
249.11259	0.4
257.08124	1.1
263.09213	0.5
264.04849	0.5
275.09241	3.1
293.10306	13.7
294.10684	0.6
308.09277	0.1
340.08014	1.2
345.09952	0.3
351.07251	0.2
352.07840	0.7
369.07959	0.2
370.08975	2.4
437.14465	3.1
443.42465	0.1
449.14508	8.1
450.14847	0.4
457.14017	0.1
465.27158	0.3
467.15558	100.0
468.15891	4.7
618.41412	0.2
677.49133	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	115.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10980	3.9
55.05449	3.2
57.86449	3.4
59.01242	7.3
65.86948	3.7
67.92014	3.2
70.34860	11.5
71.00888	6.6
71.01251	100.0
71.04884	7.0
72.01595	6.3
73.03940	8.8
73.80370	3.4
87.20387	3.7
89.01331	3.1
89.50613	3.3
90.70358	3.3
114.93289	9.4
115.00244	11.3
115.03903	3.9
116.02391	4.9
116.07061	33.5
121.71734	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.3
59.51273	2.4
61.40779	1.9
63.59912	2.2
69.87385	8.5
69.87794	4.5
71.01254	100.0
72.01591	2.3
87.00739	3.5
104.78357	2.3
108.42661	2.1
115.00264	9.6
116.07059	12.5
127.23995	2.5
131.22835	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	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27236	0.9
59.01241	1.3
70.17911	1.6
70.18308	2.2
71.01270	1.1
73.02816	100.0
74.03152	3.0
76.67387	0.9
77.20630	0.9
79.99702	0.8
96.61102	0.9
96.94064	0.8
99.00742	8.8
99.92445	3.5
100.92461	1.1
116.92743	7.9
117.01827	11.6
118.02876	1.4
135.64732	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
55.11964	0.6
59.01232	1.1
65.01318	0.9
71.01249	1.6
71.04867	1.2
71.13406	1.4
73.02818	100.0
74.03165	3.3
87.15067	0.5
90.00877	1.6
91.02880	0.9
99.00755	9.4
99.92439	4.7
116.92745	12.4
117.01835	13.3
117.05515	0.6
117.07430	0.7
117.92760	1.4
118.02941	1.4
118.03999	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	119.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	8.8
50.76303	2.1
58.00444	3.4
59.00948	3.2
59.01247	50.5
64.01784	3.4
65.01322	23.0
65.99723	18.3
68.01278	6.6
71.01248	28.0
71.59062	4.6
72.99181	4.9
77.01315	8.7
79.02887	5.8
83.01202	2.7
89.02286	2.1
91.02885	17.4
91.05406	5.9
92.01281	19.1
92.02423	6.5
93.00802	6.7
101.02296	3.0
101.03839	7.5
101.92305	4.1
104.32206	2.2
107.14474	2.3
118.03983	7.7
118.92561	5.7
119.02390	50.0
119.03446	7.5
119.04888	54.0
119.06073	6.7
120.01933	20.6
120.04375	5.0
120.05570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	8.8
50.76303	2.1
58.00444	3.4
59.00948	3.2
59.01247	50.5
64.01784	3.4
65.01322	23.0
65.99723	18.3
68.01278	6.6
71.01248	28.0
71.59062	4.6
72.99181	4.9
77.01315	8.7
79.02887	5.8
83.01202	2.7
89.02286	2.1
91.02885	17.4
91.05406	5.9
92.01281	19.1
92.02423	6.5
93.00802	6.7
101.02296	3.0
101.03839	7.5
101.92305	4.1
104.32206	2.2
107.14474	2.3
118.03983	7.7
118.92561	5.7
119.02390	50.0
119.03446	7.5
119.04888	54.0
119.06073	6.7
120.01933	20.6
120.04375	5.0
120.05570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00235	3.2
50.00422	0.7
56.14161	0.5
59.01240	1.6
64.01791	1.5
65.01318	10.0
65.99720	6.7
68.01283	2.7
70.02856	0.8
71.01263	0.7
77.01321	3.6
79.02863	0.8
90.00830	0.5
91.02881	4.8
91.05412	1.4
92.01282	5.2
92.01835	0.6
92.01928	0.6
92.02408	3.9
92.03265	1.2
93.00803	2.9
93.03333	3.6
104.02430	1.0
105.03203	0.9
105.52761	0.6
117.03378	0.8
118.03988	2.3
118.92524	1.2
119.02425	16.5
119.03485	2.8
119.04904	100.0
120.00694	0.5
120.01027	0.7
120.01937	10.7
120.02744	1.1
120.05569	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00230	5.8
59.80575	1.0
60.09460	1.1
64.01780	1.7
65.01317	17.6
65.99727	8.0
66.00867	1.1
68.01294	5.3
68.54184	0.9
68.69946	1.0
69.43830	3.9
69.44259	6.1
70.02839	1.6
77.01318	6.3
79.02892	1.6
87.25436	1.0
91.02899	7.7
92.01295	6.4
92.02422	5.9
92.03204	1.4
93.00822	4.4
93.03337	2.8
104.02439	2.1
117.03390	1.4
118.03969	3.2
118.92549	2.6
119.02404	30.4
119.03487	6.6
119.04901	100.0
120.01934	23.4
120.02753	1.9
120.03253	1.6
120.04355	3.5
120.05570	68.9
130.73856	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	1191.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01263	0.3
93.03367	0.2
99.94023	0.1
107.01252	1.3
108.02062	0.7
109.02856	0.2
121.02833	0.7
126.59165	0.1
129.40649	0.1
135.00764	0.4
141.46017	0.2
148.01514	0.8
150.99100	0.3
151.00273	4.1
151.01480	0.2
154.95035	0.1
158.52029	0.2
163.00264	0.7
164.00977	0.2
169.01350	0.4
173.04492	0.2
178.99774	3.0
183.04472	0.2
187.03903	0.3
191.05560	0.6
192.00644	0.2
199.03908	0.9
203.03436	0.3
211.03918	0.5
213.01906	0.2
215.03426	0.7
216.04201	0.4
226.02684	1.4
227.03429	2.3
228.03850	0.2
229.05037	0.2
241.01453	0.3
243.02946	9.0
244.03566	0.7
245.04375	0.2
254.02142	2.1
255.02953	21.9
256.03299	1.2
270.01575	0.3
271.02457	51.7
272.02951	4.2
273.03848	0.5
283.02579	0.3
299.01968	4.2
300.02722	100.0
301.03360	11.6
302.03775	0.4
341.74387	0.2
343.04465	0.2
355.04904	0.2
475.08820	0.3
593.12061	0.3
594.12115	0.6
595.13000	99.7
596.13379	7.5
597.13873	0.5
729.81488	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	123.044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61236	1.5
58.02834	2.1
59.74265	1.4
65.01310	5.1
66.00838	2.3
67.01759	24.9
68.01260	1.8
68.02071	2.0
68.99689	6.1
69.03328	25.2
69.71878	5.4
69.72280	7.0
71.01264	1.8
79.01745	8.9
79.02904	3.2
80.02557	7.4
81.03345	3.2
81.04449	6.1
82.02428	1.7
82.02835	9.1
82.03999	9.1
93.03333	14.9
94.86747	1.7
95.01266	34.1
95.02406	2.1
95.04897	23.3
105.03344	5.2
108.02051	59.1
108.02785	3.0
109.02400	2.9
120.35034	1.5
121.02836	12.1
123.00782	18.1
123.01889	9.2
123.04417	100.0
123.05436	3.4
124.01474	8.7
124.03918	2.0
124.04876	8.0
140.27444	1.7
141.68472	1.5
142.08492	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30934	5.8
51.79062	6.6
55.01751	10.8
57.03316	31.2
57.44459	5.8
59.01224	13.6
60.86605	5.5
63.93526	6.5
67.01761	67.6
67.92050	6.3
68.99673	27.0
69.40552	6.5
70.60172	18.1
71.01249	18.8
72.99186	100.0
73.02821	7.8
83.04902	43.8
85.02305	6.2
85.02823	26.5
85.06436	8.4
88.03884	10.1
88.61209	7.1
89.63681	6.8
98.02229	6.6
99.00736	7.6
111.04375	21.0
128.66818	7.2
128.89116	11.6
129.01807	28.8
129.05453	37.7
130.04012	65.2
130.04884	12.6
130.08617	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	129.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	7.0
57.03323	30.7
59.01240	24.5
59.17141	3.5
65.01315	4.4
67.01761	68.5
67.07690	3.5
68.99689	47.7
70.40734	14.0
71.01260	14.1
72.99180	100.0
73.02807	5.7
83.01254	6.2
83.03239	3.5
83.04893	46.7
84.01083	3.4
85.02813	32.5
85.06466	14.2
87.00748	8.7
88.03931	18.8
94.03274	3.6
99.00761	4.3
101.02306	5.6
108.67076	3.3
111.00711	4.2
111.04382	17.0
128.89095	13.7
129.01825	38.1
129.03165	4.8
129.05438	37.5
130.04005	82.2
130.08652	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	129.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.6
57.03322	16.3
59.01250	27.0
61.08379	1.5
67.01760	17.2
68.99681	10.3
71.01247	6.7
71.33179	3.4
72.99178	100.0
73.02789	2.2
83.01224	2.4
83.04894	55.1
84.05225	2.6
85.02809	6.7
85.06455	17.3
87.00750	2.7
88.03914	3.2
96.54601	1.8
100.92155	1.5
111.04412	21.4
129.01860	9.0
129.05472	35.2
130.03975	18.5
130.08658	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	130.0863
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
57.03315	4.6
58.80013	1.0
59.01251	1.3
61.33400	1.2
65.01308	2.7
70.46522	2.2
70.46895	3.3
71.01235	3.7
72.99181	1.6
73.02809	4.2
75.00758	1.6
83.85392	1.3
85.02816	16.6
85.06454	4.0
87.04391	6.0
88.03914	2.4
89.01318	2.5
103.01576	1.1
113.02336	1.6
125.99144	1.2
129.03159	1.8
130.02954	1.4
130.03986	11.4
130.08623	100.0
131.03485	14.8
131.08949	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	131.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91765	1.6
55.36462	1.3
56.07223	1.4
63.57793	1.5
65.01310	4.1
68.10175	1.6
69.03323	12.7
70.28669	1.7
71.10719	2.6
74.81350	1.4
81.64281	1.7
85.06459	100.0
86.06803	4.4
89.01307	4.4
104.02457	2.2
129.05551	1.9
131.03535	14.0
131.07025	42.7
132.07326	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	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03914	0.6
61.89623	0.5
65.01305	2.4
66.40973	0.5
67.02873	0.7
69.03326	3.3
69.37287	1.1
69.37702	4.1
72.99217	0.6
76.15691	0.5
83.04886	0.9
85.02847	1.4
85.06458	100.0
86.06794	5.3
89.01321	3.3
90.00861	1.2
91.02877	2.0
91.85575	0.6
104.02428	1.0
105.04432	0.7
113.05956	1.2
121.47009	0.5
129.05489	0.9
130.02753	1.0
131.03510	10.2
131.04361	1.3
131.07028	38.7
132.05563	2.3
132.07361	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.2
61.66441	0.7
70.74413	1.9
71.01252	67.1
72.01591	1.7
72.99184	16.6
80.81596	0.6
87.00739	1.7
88.59068	0.7
89.02318	7.3
115.00254	100.0
116.00584	5.1
132.88504	2.7
133.01321	24.4
134.01678	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68295	1.5
56.68874	1.4
59.84699	1.6
67.64355	1.5
71.01252	80.2
71.15327	4.0
72.01605	1.7
72.99176	21.4
87.06736	1.3
89.02311	7.9
96.35706	1.5
96.89750	1.4
100.90811	1.4
115.00256	100.0
116.00576	2.4
131.79959	1.5
133.01324	18.3
134.04648	3.6
139.64471	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46291	1.7
59.01237	2.4
71.01248	83.6
71.34791	2.4
72.01589	3.6
72.11960	1.4
72.99177	21.0
89.02309	9.2
99.52322	1.4
100.64393	1.5
107.03513	1.5
115.00250	100.0
116.00608	3.4
133.01321	18.2
134.04590	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58924	0.5
59.01250	1.5
65.01321	5.0
65.99701	2.1
71.01250	74.4
71.37743	0.5
71.45876	1.2
72.01584	2.0
72.99182	20.5
73.11089	0.6
75.00732	1.9
79.02866	0.6
82.72312	0.5
84.03782	0.5
87.00757	1.3
87.04346	0.8
89.02317	8.0
90.00834	0.7
91.02892	1.4
92.01283	1.2
92.02417	2.5
99.33685	0.5
105.04506	0.5
106.00363	0.7
106.03993	4.3
107.02391	2.2
107.03524	1.9
110.84844	0.5
110.93833	0.5
115.00252	100.0
116.00596	3.6
128.67545	0.6
133.01321	22.2
133.02846	1.3
133.03957	2.7
133.05035	4.1
134.01649	0.9
134.03477	8.8
134.04605	6.6
152.84663	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	134.0462
Annotation	Adenine
Peak:m/z	Relative Intensity
51.55655	0.3
59.01225	0.5
65.01321	1.3
68.02398	0.6
70.97788	0.6
70.98122	0.6
71.01246	0.7
72.01556	0.4
72.99149	0.3
73.02814	0.5
73.92181	0.2
74.61808	0.3
75.00735	0.7
80.02411	0.3
81.03342	0.3
85.02827	1.9
85.92705	0.3
89.02335	0.4
91.70905	0.3
92.02419	9.5
96.06738	0.3
99.23632	0.3
107.03512	37.8
108.03191	0.6
108.03848	1.0
116.00584	0.3
118.67149	0.2
128.49315	0.3
134.04614	100.0
135.04262	2.0
135.04985	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	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.5
60.17463	1.0
64.01797	1.4
65.01319	5.9
65.99716	4.3
66.00834	1.0
66.01656	1.4
67.02883	1.9
68.78024	1.2
71.01251	5.5
73.02823	3.8
75.00747	5.5
80.67995	1.0
81.03329	1.2
85.02820	12.1
91.02879	1.3
92.02392	2.7
92.04911	2.6
93.03326	4.4
94.02824	1.2
95.02367	1.6
97.52591	1.3
98.19736	2.6
101.02332	1.1
106.04011	14.7
107.02372	1.4
107.04194	1.7
107.04913	34.5
108.01991	5.6
108.04490	1.8
108.05215	1.5
109.03968	1.6
112.43888	1.2
112.71457	1.1
121.02813	4.3
129.20284	1.1
134.03609	3.7
135.01935	2.6
135.02831	2.5
135.04417	100.0
136.01447	5.4
136.03899	3.3
136.04941	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	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
62.24982	0.3
67.91232	0.2
71.19548	0.7
94.03623	0.2
104.26736	0.2
108.02048	73.9
109.02371	3.4
111.00746	0.6
130.97461	0.2
138.01863	100.0
139.00412	0.4
139.01251	0.5
139.02213	6.7
151.98404	0.2
159.93845	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	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.99165	0.8
67.01779	0.9
67.02887	0.8
68.99701	0.9
70.91857	0.8
70.92201	1.7
83.01268	1.5
93.03365	1.0
94.03679	2.3
96.00733	0.8
96.90745	0.8
97.04015	0.8
108.02049	70.1
109.02387	3.6
109.03933	0.8
110.02399	0.8
111.00761	5.7
114.19080	0.8
123.03148	7.1
138.01866	100.0
138.05481	10.6
139.00247	2.9
139.01213	1.1
139.02251	3.9
139.03909	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00191	18.7
54.14357	2.0
55.01760	3.7
58.00463	2.3
59.01253	12.7
66.40084	2.3
67.01746	3.3
68.99684	7.3
69.03331	5.2
69.40104	19.3
70.99473	2.9
71.01253	74.1
71.04874	3.1
72.01627	2.0
72.99172	5.8
73.02818	5.1
80.99689	7.0
81.03334	5.8
82.02874	5.2
83.01265	6.3
85.02821	13.1
87.00759	21.2
96.99187	26.2
97.02843	4.4
99.00767	2.9
99.04414	10.4
100.05701	2.1
111.00768	10.6
112.98689	33.7
113.02316	2.8
115.00271	13.2
121.85051	1.9
124.98703	79.0
125.02309	7.3
125.99028	3.6
128.67294	2.1
140.98198	9.3
142.99767	100.0
143.03432	12.1
144.00134	5.0
144.04469	20.9
144.05550	4.4
158.99332	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	145.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	11.1
56.57080	8.3
57.33747	8.5
57.42693	9.0
59.01247	36.3
68.40761	10.7
69.52552	79.0
70.47658	9.5
71.01257	100.0
72.99196	13.2
73.02818	12.4
83.01279	23.4
87.00764	66.2
99.00771	32.6
101.02336	12.8
102.05474	70.0
115.00265	28.6
126.05721	9.4
126.97044	8.7
128.03397	16.7
144.86877	19.4
145.01328	24.0
145.03976	29.2
146.02364	20.1
146.04443	10.3
146.86971	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	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91182	1.0
65.01311	2.4
69.30033	7.6
69.30440	1.4
73.51669	0.9
82.32241	1.0
97.06466	2.6
99.08028	100.0
100.08362	5.7
107.28876	0.9
116.05206	1.1
118.04016	2.2
143.07018	1.1
145.03989	2.1
145.08600	38.4
146.07184	1.1
146.08916	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	147.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	16.7
57.39048	4.3
59.01242	15.3
71.01246	25.2
71.04900	15.6
71.57507	4.2
71.57870	6.1
75.00762	5.3
83.04937	5.2
85.02317	7.9
85.02817	63.2
87.00751	100.0
88.01096	6.5
94.06486	4.3
96.15707	4.1
101.02322	4.7
101.05964	22.7
103.03891	14.8
112.39355	4.4
114.04387	4.3
115.00251	16.0
119.67443	4.0
129.01820	16.2
132.06866	4.1
138.35551	4.6
146.86557	8.1
147.02902	25.7
147.06520	12.9
169.89264	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	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37569	9.2
59.01251	12.0
65.01312	49.4
65.99708	20.7
71.01250	13.1
72.99161	13.0
76.15778	11.4
79.02893	12.8
90.00886	14.2
101.03890	11.2
103.75967	10.9
106.03980	37.5
112.14259	9.4
119.04874	36.8
120.01926	35.5
120.05527	14.1
147.01894	10.0
147.02995	26.1
147.04393	100.0
147.06642	39.0
148.05055	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00217	6.6
59.01247	11.7
61.14768	6.4
61.18119	6.3
65.01314	49.3
65.99709	16.6
68.01268	8.7
69.81708	39.3
75.00759	8.9
77.01344	6.3
89.98637	5.7
90.00859	12.1
91.02932	11.6
98.19877	11.2
101.03837	8.9
105.04465	23.7
106.03983	21.4
118.03999	8.5
119.04869	25.0
120.01907	21.8
120.05554	9.0
121.03976	14.6
121.58577	6.6
147.01912	11.0
147.03001	20.6
147.04393	100.0
147.06667	27.5
148.03874	9.5
148.05031	74.6
160.82216	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	151.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02170	1.3
59.01249	10.4
59.65687	1.2
63.02280	1.5
65.99712	1.3
66.03357	15.1
67.01769	1.4
67.02873	5.2
69.03320	1.8
71.01257	10.9
72.04418	22.1
73.02821	2.6
79.01742	1.3
80.96386	5.7
81.03329	2.2
81.04455	3.8
82.02883	2.8
82.03979	2.8
83.02392	1.9
85.02850	1.7
85.77921	1.1
89.02331	4.9
93.03349	1.9
93.40522	1.3
93.44133	1.2
95.01260	4.3
95.04892	2.1
96.95926	1.6
97.02834	1.6
101.02322	5.2
101.12498	1.3
107.01253	1.3
107.04920	10.8
107.08542	22.5
108.02052	11.9
108.04430	3.0
109.02833	3.5
109.03972	7.0
109.05115	1.2
109.99029	5.9
110.02324	1.8
110.03468	1.7
117.01832	1.2
122.03635	7.6
123.00799	4.4
123.04429	22.2
124.01520	1.7
124.03967	1.5
124.04913	1.4
129.59700	1.2
136.01559	100.0
136.05139	1.6
137.01917	4.6
151.00368	2.0
151.03920	46.4
151.04915	2.5
151.06042	4.8
151.07532	16.1
152.00090	10.1
152.03398	16.8
152.04446	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	152.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00230	0.2
53.10151	0.2
53.64651	0.2
56.65228	0.2
59.01249	1.9
65.00204	0.5
65.01359	0.2
65.53838	0.2
65.99709	0.5
66.03358	2.3
67.02881	0.7
68.01271	0.4
68.78630	0.2
68.99698	0.2
69.03332	0.2
70.15735	0.2
72.04414	6.9
73.04743	0.2
78.03366	1.7
79.95620	0.4
80.02541	0.2
80.96385	1.7
81.03326	0.8
81.04457	0.8
82.02845	0.6
82.03978	0.3
83.02371	0.3
83.04885	1.4
88.45676	0.2
92.01276	0.2
93.03347	0.2
94.33149	0.2
95.01254	0.4
95.02383	0.5
96.95901	0.5
97.02826	0.5
98.20549	0.5
104.01310	0.2
106.02869	0.5
106.03977	0.2
107.03651	4.9
108.02053	1.2
108.04498	0.3
109.02834	8.3
109.03927	0.9
109.06487	0.3
109.99056	2.2
109.99906	0.5
110.02356	0.5
110.03506	0.7
110.07056	0.3
111.04382	0.4
111.05517	0.4
114.67724	0.2
121.02814	1.1
122.02400	1.5
122.03619	28.4
123.03941	1.6
124.03931	0.4
124.04790	0.3
125.02402	0.5
125.03406	0.5
134.02443	0.3
134.03429	0.3
137.01924	0.8
137.24165	0.2
137.99452	0.5
150.01863	0.4
152.00162	3.6
152.03430	100.0
153.01900	2.3
153.03783	5.2
153.05397	1.2
153.06534	0.2
164.46521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55571	0.2
59.01239	1.0
65.00207	0.2
66.03365	1.9
67.02885	0.5
69.30736	0.7
69.31158	1.6
72.04414	3.8
77.93963	0.2
80.96396	0.9
81.03333	0.6
81.04455	0.4
82.03982	0.4
93.03261	0.2
97.02831	0.6
108.02040	0.6
108.04420	0.2
109.02831	7.1
109.03975	0.5
109.99062	1.2
109.99979	0.3
110.02393	0.4
110.03520	0.5
121.02818	1.1
122.03619	41.1
123.03929	1.9
125.03365	0.3
137.01889	0.4
137.99452	0.3
152.00191	2.5
152.03430	100.0
153.01898	1.7
153.03777	4.9
153.05148	0.3
153.05470	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	153.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85770	0.5
64.01064	0.6
65.00185	2.2
65.03829	0.8
66.03352	1.4
67.01753	1.2
68.99681	1.0
69.03331	1.5
71.01266	0.9
81.03329	4.7
82.02872	1.9
83.01254	1.7
91.01767	0.8
93.03303	1.5
95.01254	0.9
97.02829	2.8
97.06451	0.8
98.02348	0.9
108.02055	7.9
108.04403	0.7
109.02832	100.0
109.06448	1.5
109.99971	3.7
110.02476	1.0
110.03151	3.0
110.03719	1.4
110.92517	1.5
111.04379	1.4
112.03929	1.2
121.02876	1.1
123.00791	0.9
124.00334	0.6
124.03925	2.9
124.98647	0.7
125.02326	4.8
125.05965	0.8
135.04454	1.2
136.03955	1.7
137.99512	3.9
138.03149	0.9
139.02647	0.6
139.03877	1.5
142.02617	6.1
151.00290	1.1
153.01843	24.8
153.03062	1.2
153.05493	4.3
153.09109	38.2
153.86774	3.5
154.02287	1.3
154.05014	2.9
154.06104	0.8
154.09471	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	153.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70325	1.0
56.02880	1.0
61.39627	1.0
65.00186	4.1
66.03353	1.5
68.99667	2.1
69.03321	4.5
71.04877	2.8
71.07148	1.6
71.07483	1.3
81.03364	4.8
81.42358	1.0
82.02853	2.1
83.01263	1.3
83.04893	1.5
93.03322	1.2
95.01210	2.0
95.04861	1.7
97.02808	5.0
97.06461	23.1
99.08028	7.5
107.04912	1.2
108.02052	7.3
109.02828	100.0
109.06449	3.6
109.99976	5.6
110.02464	1.1
110.03111	4.8
110.05986	1.2
111.04370	2.1
111.05521	1.7
111.08017	1.6
112.05054	2.3
119.02292	1.0
121.02803	1.2
122.51102	1.1
123.00661	1.2
123.04393	1.0
124.03901	4.4
125.02339	3.6
125.09641	1.8
135.04454	1.3
136.03947	2.5
137.09589	3.4
137.99429	5.2
138.03110	1.6
151.00319	1.1
151.11212	2.2
153.01839	30.7
153.03047	1.9
153.05511	5.0
153.06544	1.0
153.09131	2.1
153.12747	69.8
153.86736	8.7
154.02304	1.1
154.04999	3.9
154.13072	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	155.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98083	0.2
51.02242	0.3
58.15977	0.2
67.01761	6.3
68.99677	1.7
69.24187	0.9
69.24608	1.8
71.01241	0.3
74.02381	0.2
79.01780	1.2
81.03374	0.3
83.01266	0.4
83.04927	0.3
84.04395	0.4
93.03344	0.3
95.01259	100.0
96.00948	0.3
96.01590	3.1
99.00748	0.5
111.04408	0.4
112.01553	0.4
123.00765	2.0
125.02378	0.3
134.88101	0.3
155.03406	37.1
156.03740	1.6
156.05589	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	155.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96194	0.4
67.01760	6.7
68.99686	1.6
69.66823	2.7
69.67226	0.9
79.01766	1.4
91.39941	0.5
95.01259	100.0
95.56230	0.4
96.01607	4.0
97.02779	0.6
98.20536	0.7
98.48901	0.4
99.00745	0.8
111.00778	0.5
123.00761	2.0
131.33035	0.4
151.46484	0.5
155.03401	36.9
156.03725	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	155.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02821	2.1
65.01310	2.1
67.01759	2.8
68.99686	0.9
69.37350	7.0
70.02826	0.7
73.02811	7.5
74.02328	0.9
83.01254	1.5
83.04895	1.5
84.00788	1.2
84.04417	3.5
85.02821	1.5
86.35001	0.8
89.01322	1.4
93.03322	2.4
95.01261	48.0
96.00798	3.7
96.01624	1.5
98.02369	1.1
98.19825	1.6
101.01333	1.0
101.68987	0.8
102.00860	1.1
109.02737	0.8
109.06467	0.8
111.00706	1.0
111.04379	2.0
111.08057	1.2
112.03916	1.1
113.03436	1.8
114.01881	0.9
123.00792	1.0
128.02444	2.4
129.04466	2.5
135.08037	1.0
137.02380	1.5
137.09616	3.6
140.01009	1.0
154.02754	2.3
154.99760	1.1
155.03464	34.4
155.10675	100.0
156.03955	1.7
156.05566	7.9
156.11021	6.6
170.15018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03297	1.1
55.01751	4.8
58.02847	1.9
59.01242	1.3
65.01312	5.8
67.01763	6.5
68.99695	1.3
71.01239	1.7
71.35534	1.7
73.02816	4.2
74.00242	1.2
79.01726	1.2
83.01257	2.3
83.04879	3.2
84.00758	1.7
84.04427	6.3
88.17502	1.0
89.01317	1.9
90.50907	1.1
93.03332	4.3
95.01257	78.3
96.00772	2.5
96.01581	3.4
98.02377	1.6
101.01292	1.7
102.00872	2.2
109.06448	2.5
111.00780	2.4
111.04397	2.6
111.08024	15.0
112.03931	1.3
113.03440	1.6
114.00882	1.7
123.00787	1.7
127.00239	1.6
128.02388	2.9
129.04488	2.2
136.44034	1.2
137.09621	2.6
140.01054	3.5
154.02771	2.0
155.03461	53.0
155.07040	3.0
155.10670	100.0
156.03993	2.2
156.05559	11.1
156.06625	1.6
156.11038	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	155.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15924	1.9
55.01751	4.2
56.66328	1.8
58.02837	5.4
65.01309	7.4
65.50452	1.7
67.01756	9.0
68.99680	2.5
71.01212	2.1
71.58871	2.7
73.59827	1.8
83.01240	6.3
83.04878	5.0
84.04420	7.2
87.31918	1.5
90.15110	1.5
93.03343	8.6
95.00638	4.8
95.01255	100.0
96.00774	4.5
96.01624	3.1
97.02789	2.3
98.02332	2.3
101.01330	3.1
111.00781	2.0
111.04384	2.9
111.08025	1.7
113.03503	2.7
128.02420	3.3
129.04471	4.6
140.01089	2.0
154.02733	2.2
154.99950	1.8
155.02177	3.4
155.03439	60.0
155.04498	2.1
155.07031	2.8
155.10670	69.9
156.03979	2.5
156.05557	16.6
156.06630	2.4
156.11046	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	157.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
56.13197	0.6
57.03323	100.0
58.00462	0.8
58.03650	1.7
59.01251	3.6
59.85973	0.6
65.01316	14.5
66.00845	0.7
67.02956	0.6
69.03322	2.8
70.92891	0.9
70.93204	0.8
71.01251	2.6
83.01242	0.8
83.04891	1.0
84.99182	2.2
85.02826	0.9
85.06468	9.0
88.01807	0.9
89.01331	7.7
90.00855	1.3
91.02889	5.9
92.02428	1.0
95.04893	1.9
97.06467	4.3
99.00758	1.6
99.08040	4.4
101.62154	0.8
103.02890	1.1
105.04453	1.4
106.03986	2.6
109.06480	0.8
111.00720	0.6
111.08049	7.2
113.05943	1.1
113.09605	53.9
114.09928	1.7
115.00238	1.9
115.02914	8.5
116.02395	3.5
127.00278	4.8
127.07526	1.0
129.09055	1.8
130.04004	31.7
131.02513	1.0
131.03520	4.6
131.04349	1.3
138.82571	0.6
139.07532	2.8
156.89398	2.4
157.01332	2.4
157.04028	1.5
157.05087	28.4
157.08606	45.4
157.12210	5.7
158.03473	4.4
158.04526	1.2
158.05663	1.3
158.07059	1.1
158.08994	1.7
162.84468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1225
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
52.42152	0.4
57.03325	0.6
59.01252	7.1
59.09682	0.3
61.98682	0.4
62.86945	0.3
65.01321	0.8
68.99689	0.8
69.03326	0.8
70.45892	1.4
71.01253	1.6
75.00751	2.5
84.01653	0.3
84.99194	2.4
84.99628	0.3
85.02820	0.9
85.06452	0.6
87.00739	0.8
95.04900	0.8
96.95904	3.5
97.06452	1.1
97.93018	0.4
98.20429	0.4
98.95477	0.4
99.00757	1.4
111.08041	1.3
112.92159	0.8
113.05955	1.3
113.09609	1.4
114.93316	0.6
115.00238	1.2
127.00278	4.2
130.04005	1.2
139.00261	0.5
139.07532	1.3
156.89348	2.5
157.01306	1.0
157.05048	2.3
157.08664	8.8
157.12245	100.0
158.03522	1.6
158.06120	0.4
158.08080	0.7
158.12592	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	161.0235
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
53.43030	0.3
53.70387	0.3
55.01761	0.6
57.03328	1.5
58.00448	0.4
59.01249	7.0
61.84551	0.2
65.00187	0.3
65.01311	1.3
65.99729	0.6
69.03331	0.6
71.01249	7.8
71.13429	0.7
72.99178	1.3
73.02818	7.7
75.00735	0.6
77.01355	0.3
81.03319	1.8
83.01254	3.5
84.02049	0.3
85.02820	11.2
86.03165	0.3
87.00760	1.6
89.02310	2.6
89.03845	1.1
90.00915	0.4
91.02880	0.6
92.02405	0.3
93.00829	0.4
95.01282	0.4
95.04901	1.2
97.02814	1.1
99.00754	0.6
99.04400	0.4
101.02309	0.9
105.03358	0.3
106.04009	0.4
107.02383	0.4
113.02348	1.3
115.03907	0.3
117.03349	2.4
119.02411	0.4
120.01954	0.7
121.02726	0.8
123.04403	3.7
125.02390	0.5
131.03395	5.7
133.02847	15.6
134.03455	2.7
143.03407	0.6
159.02896	0.3
161.02344	100.0
161.04301	7.6
162.02763	5.3
162.05348	0.5
169.15099	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	161.0235
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
55.01775	0.1
57.03324	0.7
59.01248	1.3
65.00190	0.6
65.01313	0.3
65.03804	0.1
65.99732	0.2
69.03326	0.1
71.01254	1.4
71.08440	0.2
72.99177	0.3
73.02815	0.9
75.00769	0.1
77.03831	0.1
81.03318	0.2
83.01251	0.4
85.02817	1.4
86.34236	0.1
87.00746	0.2
89.02325	0.3
89.03835	1.1
91.02886	0.2
93.03336	0.1
95.01295	0.1
95.04900	1.2
99.04409	0.6
101.02333	0.3
105.03326	0.4
113.02347	0.2
115.70491	0.1
117.03345	3.1
118.02898	0.1
118.03680	0.1
119.02425	0.1
120.01936	0.1
121.02811	0.2
123.04407	4.7
124.04759	0.2
131.03432	0.6
133.02844	18.1
134.03236	1.2
161.02345	100.0
162.02695	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	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45254	0.4
69.66488	2.6
73.53762	0.3
74.94437	0.3
82.03976	0.7
91.01780	0.4
93.03314	1.4
101.75540	0.3
119.04911	100.0
120.05233	4.1
121.05079	1.5
135.04430	0.4
147.04411	0.7
160.99916	0.4
163.03909	7.4
163.06061	0.7
164.04274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.1
64.26663	0.4
65.01311	1.3
65.99710	1.5
67.01781	0.7
67.02866	0.6
68.01275	0.5
68.99669	0.8
71.01234	0.6
71.45023	1.1
81.03342	0.4
82.02835	0.4
82.03978	1.9
82.69965	0.6
83.01256	0.5
83.02390	0.5
84.40145	0.4
85.02805	0.9
85.40521	0.4
91.01765	2.1
91.05414	2.1
92.04986	0.4
93.03335	7.1
94.03586	0.5
95.02377	0.6
97.03963	0.4
101.02314	1.8
105.03320	0.5
106.04069	2.3
107.04187	0.8
107.04902	14.1
109.03965	0.5
117.03320	2.4
119.01286	0.6
119.04907	50.4
120.04427	1.1
120.05305	2.2
121.02838	4.4
121.03747	0.8
121.05109	5.0
122.03477	1.0
123.04422	1.0
129.65282	0.4
134.03586	4.1
135.04408	100.0
136.03886	0.7
136.04813	5.1
137.03412	0.6
145.02850	3.3
147.04347	0.7
148.01553	1.1
161.02391	0.6
162.89265	0.5
163.00272	2.8
163.02528	1.1
163.03912	20.3
163.06090	3.9
163.07516	1.4
164.04428	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	163.0391
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
56.09599	0.2
59.01249	0.5
62.98267	0.2
65.01325	1.4
65.99727	1.0
66.00832	0.6
67.02879	0.6
68.01266	0.2
68.99682	0.2
71.01254	0.7
71.59010	0.3
73.02789	0.3
81.04443	0.5
82.02831	0.2
82.03965	1.3
83.02371	0.3
85.02818	0.5
89.22878	0.2
91.01763	0.8
91.05376	0.2
92.02419	0.4
92.04929	0.4
93.03334	2.4
94.02880	0.3
95.02402	0.5
101.02312	0.9
105.52464	0.2
106.03986	0.7
107.02375	0.3
107.04941	0.2
108.01932	0.2
109.03970	0.4
117.03322	0.3
118.91027	0.2
119.04912	100.0
120.01907	0.3
120.04374	0.2
120.05231	4.5
121.02776	0.7
121.03977	1.1
121.05080	4.0
122.03443	0.8
123.01894	0.2
123.18391	0.2
124.92625	0.2
134.03531	0.5
135.04434	1.0
136.01361	0.3
136.05054	1.5
137.03468	0.8
138.65215	0.2
146.03595	0.4
147.04391	0.9
162.89203	0.4
163.00269	1.3
163.02625	0.4
163.03911	6.9
163.06058	2.2
163.07431	0.4
164.04521	0.9
164.07077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01250	0.7
65.01298	0.6
65.99696	0.5
67.02830	0.3
69.71750	2.6
82.03967	0.7
85.02820	0.6
91.01790	0.9
91.05404	0.7
93.03326	1.7
98.19910	0.8
101.02318	0.7
119.04912	100.0
120.04408	0.6
120.05231	4.6
121.02809	0.5
121.04163	0.4
121.05083	2.0
135.00783	0.5
135.04401	1.5
136.03943	0.6
136.05081	0.5
143.56146	0.4
147.04509	0.4
163.00288	2.1
163.03915	7.1
163.06055	2.8
163.07457	0.8
164.04501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04207	1.5
59.01234	3.2
63.08850	1.6
64.85233	1.6
70.49603	3.5
70.49985	3.7
72.00773	50.0
91.05404	2.0
93.03357	2.5
119.04911	4.2
120.04461	3.3
120.05231	2.5
121.02817	8.5
123.04408	1.5
135.04391	3.0
136.03947	2.0
137.02339	2.8
137.03342	1.6
146.15913	1.6
147.04410	100.0
148.04750	4.9
150.03094	1.5
164.03389	2.7
164.04742	2.1
164.07079	44.8
165.01817	2.4
165.05469	3.4
165.07562	2.0
165.09084	4.0
168.13150	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	165.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17565	0.8
54.96094	0.9
55.01750	1.6
57.03339	1.2
59.01239	8.0
67.47176	0.9
70.54901	1.9
70.55292	2.2
71.01252	8.1
72.99178	5.8
73.02814	3.1
75.00743	46.7
85.02836	1.0
87.00746	100.0
89.02300	2.5
93.03337	2.0
95.25500	0.9
99.00758	9.2
100.40607	1.0
101.02307	4.9
105.01810	66.8
106.02166	1.1
115.51192	0.9
117.01814	3.1
121.02830	2.0
129.01846	5.1
135.02841	2.0
147.02876	8.2
164.83551	1.5
165.03952	48.4
166.04295	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	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.7
65.01328	0.9
65.99745	0.8
71.36094	0.6
72.99178	35.6
75.00754	3.8
81.03352	0.5
82.03992	0.7
87.00763	1.9
91.05421	1.5
93.03337	2.5
94.14427	0.4
95.01257	0.9
95.02406	1.2
95.04903	1.6
97.03951	1.2
101.03859	2.8
105.01814	1.0
105.03334	1.1
107.04933	0.9
108.02071	0.6
109.02853	1.6
117.03345	0.8
119.04913	37.0
120.05267	1.9
121.02841	7.4
121.03724	0.8
121.06453	1.0
122.03532	1.1
123.00777	1.3
123.04431	1.0
124.05083	0.7
133.02844	1.6
135.04445	1.0
137.02309	1.5
137.05949	2.1
138.02953	0.6
142.51213	0.5
147.04417	100.0
147.57166	0.5
148.04778	5.5
150.03075	1.1
151.00247	1.7
165.01817	2.1
165.04019	2.5
165.05476	33.0
165.09166	1.0
166.05830	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.1
65.03811	2.8
66.48592	2.5
67.01778	12.8
68.99691	17.3
69.03328	11.7
71.01255	18.3
71.06599	5.1
71.26692	2.2
71.89702	1.9
72.99162	3.0
75.00740	3.7
77.03840	4.8
79.68523	2.5
80.02538	5.0
81.03315	7.3
81.08011	2.1
83.01249	2.6
87.00765	4.9
93.03342	16.9
93.06950	7.8
95.01270	14.6
95.04897	65.7
96.05200	2.6
97.02825	25.1
98.97791	2.1
105.01799	2.6
106.04075	6.8
107.04867	6.0
108.02046	11.8
109.02824	9.5
109.06467	8.8
111.00706	2.1
119.04896	14.7
121.02837	72.3
121.06469	33.4
122.03651	10.3
123.00778	4.4
123.01871	2.4
123.04409	11.8
123.06643	3.2
124.05077	3.9
135.04376	12.5
136.01505	2.6
137.02319	8.5
137.05052	4.2
137.05974	100.0
138.03008	3.9
138.06367	2.8
147.04402	11.4
149.02347	2.2
150.03175	11.0
151.00262	3.2
155.36990	2.0
165.01837	9.7
165.04092	5.0
165.05460	42.0
165.09097	4.7
166.01419	4.1
166.02641	2.8
166.05995	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20013	0.4
56.43747	0.3
56.66406	0.4
65.01326	0.5
66.66859	0.3
70.74751	0.9
72.99178	34.6
73.99551	0.3
74.71674	0.3
75.00748	0.5
82.03992	0.5
87.00788	0.5
91.05428	1.1
93.03333	0.7
95.02414	0.7
95.40683	0.3
97.03950	0.4
101.03857	1.4
103.05423	0.4
105.01816	0.4
109.02837	0.9
109.03966	0.6
115.36028	0.3
117.03387	0.9
118.08315	0.4
119.04913	38.9
120.05262	2.1
120.21627	0.3
121.02834	4.4
122.03491	0.3
123.05515	0.4
135.04428	0.5
137.02351	1.6
147.04416	100.0
148.04758	5.5
150.03163	0.6
150.05721	0.3
151.00214	0.6
165.01825	0.9
165.05473	29.4
166.02528	0.5
166.05872	1.6
177.43875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.05
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
52.96993	0.2
58.02822	0.3
59.01250	0.2
59.65419	0.2
65.01308	0.4
66.03358	0.5
67.01756	0.2
67.02883	0.2
68.01276	0.2
68.58662	0.2
71.30260	0.4
80.04938	0.3
81.04473	0.6
82.02853	0.3
82.03976	0.8
90.03417	0.2
91.01738	0.4
91.13639	0.2
92.04925	1.0
93.03333	0.9
95.01268	0.9
95.04897	0.5
97.02842	0.2
97.03950	2.0
105.02075	0.3
108.02045	2.4
108.04446	0.6
109.02827	0.4
109.03974	0.2
111.00755	0.3
111.04395	0.3
111.08047	0.3
112.08417	0.4
119.66080	0.2
120.04396	0.4
121.02824	1.3
121.05207	2.6
122.02341	0.5
122.03155	2.3
123.00780	1.3
123.04414	1.8
123.05241	0.3
123.08016	0.5
124.01567	0.4
124.04064	0.4
124.05040	1.9
125.02371	0.3
125.03444	0.3
133.01624	0.2
135.04430	1.1
136.05193	21.5
137.05522	1.2
138.01830	0.8
138.05495	0.6
139.00226	0.2
139.03864	0.3
139.78490	0.2
140.02441	0.4
148.03889	0.4
151.00285	1.4
152.01047	4.9
166.04999	100.0
166.13068	1.5
166.83282	0.6
167.03418	2.7
167.05336	4.9
167.07039	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	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	100.0
59.03168	1.4
63.89363	0.6
65.89854	0.5
69.03345	0.8
69.86909	0.8
69.87314	2.4
70.02871	0.7
89.31664	0.5
97.02818	1.0
100.71997	0.6
122.34213	0.5
125.02344	14.6
125.99504	0.8
126.90257	0.7
132.86714	0.8
146.16750	0.5
168.13849	7.3
168.15126	0.6
169.01332	4.6
169.12180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99178	0.5
53.68980	0.4
55.01751	7.6
56.01517	0.4
57.03310	0.5
60.00218	0.4
65.01317	0.4
68.28163	0.5
69.03326	7.0
70.02119	0.5
70.23796	2.2
71.01265	0.5
71.04887	36.0
72.05207	0.6
72.67696	0.4
80.02556	1.6
81.03335	2.0
83.04895	7.5
87.28920	0.5
89.01283	0.6
95.04903	1.3
97.02824	0.9
97.06447	2.3
99.07915	0.5
110.02363	0.7
119.51322	0.4
123.08035	8.8
125.02331	6.1
125.09602	100.0
125.99485	2.2
126.09948	3.3
141.01868	0.6
141.09109	0.5
142.03984	1.4
169.01323	1.6
169.05054	1.3
169.08594	10.0
173.46884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.4
65.03830	8.7
66.03355	3.0
67.01761	4.3
68.99664	1.2
69.03318	8.9
71.01258	9.5
71.04890	1.4
72.18364	0.8
72.99192	3.0
78.95773	6.3
81.03325	21.9
82.02851	0.9
85.02807	2.3
87.00753	3.5
91.01799	1.7
97.02828	1.7
99.00774	1.3
99.04373	4.2
108.02041	8.9
109.02832	100.0
110.02364	5.7
110.03168	3.3
110.46410	0.9
111.00777	3.5
112.00285	1.0
113.02331	1.5
124.98700	1.6
125.02343	3.5
127.03900	58.1
128.04276	2.3
128.89966	3.3
128.97453	0.7
128.98502	3.3
143.03409	1.4
152.98219	2.4
153.01836	2.5
170.83197	5.7
170.91064	1.0
170.99335	1.8
171.02921	10.3
171.10155	2.6
172.02371	1.3
193.10587	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	171.029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.4
65.03830	8.7
66.03355	3.0
67.01761	4.3
68.99664	1.2
69.03318	8.9
71.01258	9.5
71.04890	1.4
72.18364	0.8
72.99192	3.0
78.95773	6.3
81.03325	21.9
82.02851	0.9
85.02807	2.3
87.00753	3.5
91.01799	1.7
97.02828	1.7
99.00774	1.3
99.04373	4.2
108.02041	8.9
109.02832	100.0
110.02364	5.7
110.03168	3.3
110.46410	0.9
111.00777	3.5
112.00285	1.0
113.02331	1.5
124.98700	1.6
125.02343	3.5
127.03900	58.1
128.04276	2.3
128.89966	3.3
128.97453	0.7
128.98502	3.3
143.03409	1.4
152.98219	2.4
153.01836	2.5
170.83197	5.7
170.91064	1.0
170.99335	1.8
171.02921	10.3
171.10155	2.6
172.02371	1.3
193.10587	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	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79324	0.8
57.88351	0.8
58.91661	0.8
59.48295	0.8
65.01308	3.6
67.42417	0.9
69.94096	1.9
69.94507	3.5
71.04888	36.7
83.04877	4.9
83.95169	0.9
88.95447	0.9
89.01308	2.0
98.20509	1.2
99.08038	4.9
125.09615	10.6
127.11172	93.4
128.11497	3.9
130.04022	2.0
144.05563	3.4
153.09122	14.2
154.09464	1.1
171.01892	3.4
171.06721	7.5
171.10168	100.0
172.10515	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	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72503	0.9
55.01755	1.3
57.03325	4.3
65.01308	6.5
71.01226	2.2
71.04887	15.3
71.07826	1.4
71.08159	1.0
78.80431	0.9
81.04469	1.1
83.04885	3.0
84.96964	0.8
87.51615	0.8
89.01340	2.3
97.06454	2.6
99.00738	1.4
99.08027	40.3
100.96090	0.9
105.04469	2.9
106.03989	1.1
109.02821	1.4
110.73045	0.8
123.08009	1.2
125.09602	18.7
127.07533	1.6
127.11175	40.4
128.11501	1.7
129.04433	0.8
130.03998	3.4
144.01915	1.3
144.04482	1.4
144.05554	4.3
145.05069	1.0
153.09058	6.2
171.01862	4.0
171.03203	1.3
171.06749	8.6
171.10172	100.0
172.06169	1.6
172.10550	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	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51081	0.6
63.59903	0.5
71.45596	1.0
82.34729	0.6
92.32859	0.5
97.06419	0.7
99.08052	0.8
106.92825	0.5
125.09626	3.6
127.11156	6.4
130.03978	0.7
144.05559	0.6
153.09084	2.0
171.10172	100.0
172.10526	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	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07893	0.6
65.15507	0.7
69.50252	5.8
103.78347	0.6
109.13885	0.6
125.09616	3.1
126.26129	0.7
127.11192	7.8
135.68031	0.7
153.09134	1.6
171.10178	100.0
172.10593	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	173.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.3
57.03319	3.1
58.00448	1.5
59.01250	38.4
65.44140	1.1
66.73892	1.0
67.01762	2.6
69.03325	4.6
70.54758	2.9
71.01262	14.3
71.04892	1.9
72.99180	76.1
73.02813	28.6
73.99525	1.2
81.03327	4.9
83.04891	24.8
85.02820	5.1
85.06454	12.0
93.03333	63.8
94.03669	2.1
99.00751	10.2
99.04398	20.6
101.05932	1.4
111.00759	7.2
111.04399	95.0
111.08020	1.9
112.04732	2.4
112.98672	3.5
129.01843	3.2
129.05463	27.9
137.02324	17.3
142.99748	5.0
143.03380	2.0
155.03400	100.0
156.03746	3.6
172.05464	1.2
173.04449	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	173.081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	97.9
60.01554	0.5
61.04530	0.4
65.01322	3.5
65.99723	1.4
66.00863	0.6
67.01770	2.7
69.03333	0.6
69.48621	1.6
69.49052	2.4
71.01260	1.6
72.99189	0.6
73.02812	2.5
75.00752	0.7
77.01324	0.7
81.03336	0.6
83.04903	2.2
85.02859	1.0
85.06456	21.5
86.87733	0.5
87.35178	0.4
89.01343	0.6
91.02903	0.8
93.03328	14.3
95.95100	0.6
98.20540	0.8
99.00750	1.3
99.04391	1.0
106.03962	1.1
111.00774	1.1
111.04372	3.4
111.08042	2.2
113.05957	14.8
114.06289	0.8
116.02417	1.0
118.03999	0.8
119.02400	2.3
129.01805	0.6
129.05457	0.6
129.09135	0.5
130.03958	0.6
131.03558	1.5
131.07027	100.0
132.01967	0.5
132.05597	0.9
132.07367	3.7
133.02678	0.6
137.02303	1.4
143.03522	0.9
144.04388	0.5
146.03482	4.9
155.03395	2.0
173.02330	0.7
173.04559	8.7
173.08138	1.8
173.11737	1.1
188.11531	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	173.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82535	0.3
59.01241	0.2
65.01312	0.7
65.99728	0.5
67.01755	0.6
69.62785	1.8
71.01264	0.3
73.02827	0.6
83.04888	0.6
85.03730	0.2
89.25886	0.2
91.02898	0.3
93.03328	2.9
95.85825	0.2
98.20487	0.5
102.46128	0.3
105.04487	0.3
111.04400	0.7
111.08039	0.4
119.02392	0.6
125.09629	0.6
127.11173	11.2
128.11501	0.4
131.03510	0.4
132.05598	0.3
137.09587	0.3
140.43777	0.2
146.03490	0.8
155.10675	2.5
164.65382	0.3
171.10127	1.5
173.04550	2.2
173.11739	100.0
174.12071	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	175.024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	6.6
57.03313	4.5
59.01249	23.9
60.59635	1.1
60.96312	1.3
62.05849	1.4
65.00191	1.3
67.01757	1.5
68.99687	14.1
69.03325	7.1
70.75760	1.9
70.76099	2.7
71.01247	40.7
72.99178	29.9
73.02812	14.5
75.00742	27.9
82.24850	1.3
83.01257	24.4
85.02823	24.1
87.00747	100.0
89.02305	4.9
95.01252	7.4
96.99178	3.5
99.00757	33.4
101.02316	6.0
103.00255	4.5
110.79653	1.1
111.00735	11.1
113.02325	12.3
115.00254	44.0
115.84829	1.2
117.01830	6.6
124.98735	1.7
127.00256	57.7
128.00604	1.8
129.01836	7.1
139.00217	7.5
145.01346	4.6
157.01334	5.2
174.82712	2.0
175.02426	21.7
175.05991	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	176.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.5
59.01239	2.4
65.01312	1.5
65.99713	1.0
66.00834	0.5
67.66874	0.6
71.01242	2.6
71.58980	0.9
75.00726	0.7
82.03982	0.8
87.00745	1.1
89.02319	0.7
90.06244	0.5
91.02882	0.6
92.02475	1.2
93.03316	1.5
95.01255	6.6
99.00739	0.7
105.03347	1.4
105.04488	0.9
106.03992	1.2
107.02402	0.6
108.02047	39.7
109.02363	0.7
110.03510	0.5
120.02040	14.0
120.04400	0.5
121.02831	1.4
122.03515	0.6
123.00761	1.2
129.01793	0.7
133.02838	3.3
133.03819	0.8
133.06493	2.8
134.03539	2.2
134.07109	1.0
135.00818	1.0
135.04390	1.0
135.06696	0.8
136.01572	1.5
138.03105	1.4
148.01558	23.8
149.02205	1.5
149.03465	0.7
150.06636	0.6
155.11720	0.5
161.97195	0.6
162.03116	6.4
175.00294	0.8
176.01059	100.0
176.03506	2.5
177.01828	11.3
177.05403	3.3
177.07758	0.6
177.09041	1.3
178.99768	3.3
192.00543	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	176.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01317	0.8
65.99722	0.8
66.16852	0.3
68.01284	0.5
68.99699	0.7
70.41864	1.3
70.42233	0.3
71.01262	0.7
72.16841	0.3
84.09039	0.3
90.02441	0.3
92.02507	0.8
93.03320	0.5
94.02831	0.3
95.01262	7.9
96.00819	0.5
97.95864	0.3
107.01277	0.4
107.02360	0.4
108.02048	41.0
109.02399	1.2
116.43412	0.3
120.02059	14.5
121.02857	0.6
123.00764	1.2
129.01817	0.4
133.02831	1.0
133.03888	0.4
134.03578	0.5
135.00732	0.4
136.01563	1.0
138.03104	1.0
147.00764	0.8
148.01559	23.6
148.05014	0.6
149.02086	1.2
149.03453	0.5
151.08797	0.3
162.03125	1.1
175.00322	0.7
176.01070	100.0
177.01668	8.9
177.05469	0.4
178.99779	3.1
192.00600	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	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32763	1.1
57.03322	1.0
58.93670	0.9
59.01246	2.0
61.13346	1.0
65.01309	2.1
65.18108	0.9
65.99702	1.2
68.99667	1.2
71.01262	2.6
71.58393	1.1
71.58814	1.2
75.00742	1.2
87.00759	2.1
89.02333	1.4
93.03329	3.8
95.01259	7.8
98.77374	0.9
99.00744	1.6
104.02577	1.2
105.03345	2.6
106.03972	1.9
108.02054	37.9
119.04858	1.0
119.48215	1.0
120.02068	14.2
121.02830	3.8
123.00813	1.1
123.04424	1.6
129.01796	1.3
133.02835	8.2
133.03862	2.1
133.06483	2.0
134.03496	3.8
135.04453	1.4
136.01553	2.5
145.28346	1.1
148.00453	2.0
148.01561	23.6
149.02290	3.1
149.03468	1.5
161.02386	1.8
162.03148	13.9
176.01068	100.0
176.03481	3.3
176.04527	3.6
177.01826	29.1
177.04080	2.1
177.05486	4.3
177.09143	1.2
178.99815	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	179.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
69.74780	8.3
69.75186	29.1
71.01250	70.0
85.02814	9.5
87.00742	24.9
89.02319	30.5
89.12882	7.0
91.05408	6.3
95.01265	6.0
97.06493	9.1
98.19786	11.9
99.00748	7.4
101.02303	8.2
119.03386	7.1
123.04401	21.6
128.35205	5.5
135.04405	48.9
151.03893	13.8
151.07661	6.5
161.04500	18.8
164.00983	5.7
177.01111	6.6
179.03418	19.9
179.05492	20.6
179.10678	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	179.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.7
57.03312	1.4
58.00455	3.0
59.01247	54.4
67.20728	0.8
68.99693	1.3
69.03317	3.9
69.64503	2.5
69.64930	3.2
71.01250	55.9
71.04892	1.6
72.01604	1.3
72.99187	9.6
73.02821	11.7
75.00742	73.2
79.95614	1.0
80.96387	1.7
81.03320	6.1
83.01257	5.7
84.02039	0.8
85.02818	15.8
87.00746	70.9
89.02306	25.3
91.02100	4.9
95.01263	2.4
97.02824	6.4
99.00753	18.4
99.04362	2.6
101.02319	12.1
113.02316	6.8
113.03015	1.0
117.01817	15.3
124.11348	0.9
125.02352	9.8
129.01842	1.4
131.03389	1.7
135.04405	3.6
141.01828	7.3
143.03409	10.7
143.04436	1.5
149.69550	1.0
151.07582	1.1
159.02875	3.7
161.04459	52.0
162.04810	1.6
165.32286	0.9
166.19464	0.9
177.04001	2.5
179.00102	1.9
179.05524	100.0
180.05873	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	179.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	7.2
59.01244	100.0
60.21309	4.7
61.56227	4.7
62.61964	4.8
66.87769	4.3
67.83357	5.7
69.47832	27.0
69.48241	13.3
71.01247	79.2
85.02814	11.2
87.00748	28.1
89.02318	39.5
95.17581	4.9
98.20610	9.3
99.00769	8.0
100.70916	5.3
101.02314	11.9
107.04910	6.9
108.02034	10.3
109.34441	5.0
113.02317	13.9
119.01237	6.8
121.02842	8.9
123.04408	12.1
125.02328	6.2
135.04379	17.5
135.94299	5.1
136.01508	6.7
145.17688	4.7
151.03882	15.6
151.58745	5.0
161.04488	15.0
179.03384	23.3
179.05511	18.8
179.07016	10.0
193.27313	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	179.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87568	2.6
53.49563	2.9
58.00450	6.3
59.01249	100.0
59.70443	2.3
70.57314	9.0
71.01250	61.6
72.99165	5.1
83.01251	3.8
85.02821	8.4
87.00742	8.1
89.02307	26.6
95.01257	6.5
101.02310	6.8
107.04848	4.1
113.02353	5.8
119.01337	2.5
119.04864	4.1
121.02872	4.6
121.39412	2.7
122.84478	2.6
123.04376	8.7
135.04405	4.3
136.01534	3.9
151.03920	7.7
161.04530	4.1
179.03363	11.3
179.05527	6.9
179.06990	4.0
187.61536	2.5
196.30635	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	181.0498
Annotation	Jasminanhydride
Peak:m/z	Relative Intensity
55.01750	4.1
59.01255	19.6
61.99878	1.7
65.00187	6.1
65.01311	2.1
65.03857	2.1
67.01749	4.3
68.99691	2.2
69.03329	20.5
71.01253	37.9
71.11778	2.7
71.12112	2.0
73.02814	10.4
79.01756	2.0
81.03335	7.7
81.23511	1.8
83.01254	4.4
83.04908	3.8
85.02828	7.2
89.02304	14.8
91.05415	3.7
93.03332	27.0
95.01266	6.2
95.04903	5.4
97.02831	21.5
97.06481	7.9
101.02326	21.5
106.04144	2.2
107.04910	37.4
108.02051	9.6
109.02835	33.2
109.06476	8.4
111.00804	4.3
111.04396	5.9
113.02370	4.4
119.04903	14.6
121.02832	9.2
122.03642	2.1
123.00786	11.3
123.04403	10.4
124.01602	4.8
125.02332	3.2
125.05987	35.7
133.02866	3.4
134.03606	4.1
135.04419	89.5
137.02345	100.0
137.05956	5.5
138.03142	17.3
139.03883	3.9
145.02911	2.1
148.01569	2.4
151.00275	19.7
151.03929	12.4
153.01840	9.0
153.05476	34.9
154.04059	2.4
154.05762	1.8
163.03925	43.5
163.05959	2.2
164.04443	2.5
166.02637	19.0
181.01421	3.4
181.04997	45.1
181.07208	14.8
181.08685	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	183.1018
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
54.59772	0.8
57.03307	1.9
59.01244	1.7
63.41594	1.1
65.00195	1.4
65.01315	2.6
67.01751	1.7
68.99712	1.0
69.03327	11.1
71.01250	2.5
71.04909	1.0
71.22752	1.4
71.23105	0.8
72.99180	20.2
73.72812	0.7
75.00751	0.9
81.03326	1.0
83.01257	1.6
83.04898	5.1
83.66668	0.8
89.01311	1.3
93.03329	1.7
107.69807	0.7
108.05667	2.3
109.99976	0.9
111.00762	8.9
111.08076	1.0
112.03941	1.1
119.08562	9.6
119.21732	0.9
121.10111	14.7
123.00755	2.5
124.01552	5.9
127.00236	3.8
128.44296	0.9
130.03993	1.7
135.08069	1.7
136.98683	6.5
137.09612	71.7
138.09940	2.9
139.00252	7.8
139.03958	1.8
139.11223	1.6
140.01048	12.2
142.04010	1.1
143.04793	2.7
144.04285	1.1
147.08002	1.9
156.05595	6.9
157.05101	3.5
165.01863	1.0
165.09100	20.8
168.00565	19.2
175.03792	1.0
181.08530	2.0
183.02902	100.0
183.06541	7.3
183.10178	87.1
184.03281	4.1
184.06137	2.5
184.10527	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	183.1019
Annotation	(3S)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
52.57323	3.6
57.03325	38.2
59.01242	6.5
63.55361	4.0
65.01303	12.6
65.99715	4.1
69.03322	100.0
71.04887	26.9
71.58586	4.2
71.58981	4.3
83.02353	4.6
85.02814	4.4
85.06465	4.3
89.01337	9.1
90.00859	4.5
91.02864	5.8
95.04917	5.0
97.02825	4.4
97.03925	4.4
111.00748	8.5
111.08049	32.4
113.05951	11.0
115.02882	6.4
116.02422	7.4
123.08051	12.3
124.01567	6.0
124.03879	8.3
127.00231	4.6
127.75830	4.0
130.03990	6.0
137.09592	7.7
137.44841	3.7
139.00276	6.9
139.11186	56.7
140.01001	9.6
140.06976	4.5
142.03960	9.7
143.04762	11.6
144.04253	6.0
155.03569	7.4
156.05562	34.7
157.05099	22.3
168.00496	24.2
183.02907	83.0
183.06647	30.8
183.10162	94.6
184.06158	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	185.1175
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
50.00204	1.1
57.03320	1.6
59.01236	1.6
65.01314	5.1
65.99706	1.8
66.00878	1.6
69.03316	3.1
69.47695	5.9
69.48123	3.4
71.04860	1.4
72.99237	1.4
88.03905	2.4
89.01302	1.4
91.02923	2.4
92.02445	1.6
93.71162	1.2
98.19818	2.7
108.66447	1.1
116.02451	2.5
123.08018	2.2
126.60408	1.1
130.04027	1.6
131.03493	2.1
137.09642	1.9
139.11180	33.7
139.36928	1.2
141.09148	6.1
141.12743	1.6
144.01891	1.4
144.04411	1.3
144.05534	3.0
145.02692	1.5
145.05043	1.4
155.10674	1.4
157.05104	3.5
158.03471	7.9
158.05591	1.6
158.07118	1.2
167.10664	3.3
185.04570	4.9
185.06563	1.9
185.08250	7.9
185.11745	100.0
186.07838	2.2
186.12074	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	187.0968
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
57.03321	3.3
62.41953	0.3
65.01302	0.2
69.03320	0.6
70.43121	0.4
70.43513	0.5
71.04877	0.3
73.02818	0.5
80.02518	0.3
83.04897	0.5
85.08125	0.2
91.02912	0.2
93.00872	0.2
95.04909	0.8
97.06463	11.6
97.21664	0.2
98.06799	0.3
100.26879	0.2
114.55898	0.3
118.03953	0.3
119.02383	0.2
119.55560	0.2
122.03468	0.3
123.08049	5.4
125.09605	100.0
126.09942	3.8
130.03978	0.2
132.05647	0.3
137.22855	0.2
143.10680	2.0
144.04243	0.2
145.05048	0.4
160.05054	0.9
167.51390	0.2
169.08604	2.7
187.06140	1.0
187.09668	48.2
188.10028	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	191.019
Annotation	D-Glucaro-1,5-lactone
Peak:m/z	Relative Intensity
50.67980	0.1
53.96425	0.1
57.03321	3.6
58.99456	0.2
59.01239	0.8
67.01756	0.9
69.41346	1.4
71.01272	0.4
71.75040	0.1
72.99182	0.3
83.04885	0.3
83.59907	0.1
85.02820	26.5
86.03168	0.4
87.00747	36.7
88.01090	0.5
93.03342	0.8
99.04309	0.2
101.02326	0.7
103.03863	0.4
109.02829	0.2
111.00758	100.0
112.01096	2.3
112.98618	0.2
113.02309	0.3
127.03874	0.6
129.00853	0.3
129.01826	7.1
129.05457	1.3
130.98865	0.2
130.99757	1.0
136.32730	0.2
136.56784	0.2
139.80391	0.2
141.45377	0.2
147.02859	0.5
154.99742	0.8
155.03409	0.6
171.02863	0.3
173.00807	2.3
173.04477	0.6
174.66565	0.2
176.01030	1.4
191.01904	15.4
191.05522	31.6
192.02190	0.3
192.05905	1.2
192.24915	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	191.019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	5.7
58.99463	0.2
59.01245	1.3
64.99527	0.1
67.01753	1.4
71.01253	0.7
71.32851	0.3
71.33233	0.3
72.99180	0.3
81.03336	0.2
83.04918	0.3
85.02819	31.3
86.03165	0.5
87.00748	46.0
88.01083	0.7
93.03343	1.7
99.04410	0.2
101.02325	0.5
103.03848	0.3
108.02037	0.3
109.02839	0.3
111.00759	100.0
111.04321	0.7
112.01107	2.5
113.02332	0.7
113.19183	0.2
118.95298	0.2
126.13609	0.1
127.03907	1.1
129.01823	6.1
129.05457	1.1
130.99791	0.9
147.02867	0.5
154.99799	0.7
155.03397	0.6
171.02908	0.3
171.55090	0.1
173.00827	2.1
173.04428	0.7
176.01071	2.5
186.15630	0.1
191.01910	11.0
191.05524	26.5
192.02272	0.4
192.05807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0342
Annotation	Scopoletin
Peak:m/z	Relative Intensity
67.97118	0.4
69.50219	2.0
69.50647	1.1
85.02818	1.3
92.02554	0.8
95.01247	1.2
108.02046	9.3
119.39933	0.4
120.02070	3.5
123.00770	0.3
130.13434	0.4
148.01556	7.0
176.01062	100.0
177.01378	3.9
178.99709	0.4
188.13690	0.4
191.03424	12.6
191.05508	2.8
192.03752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0342
Annotation	Pisonin F
Peak:m/z	Relative Intensity
52.68233	0.3
57.03325	0.4
59.01249	0.9
61.14249	0.3
62.90165	0.3
69.82186	1.4
69.82591	0.9
75.13744	0.4
85.02818	4.7
87.00735	3.6
93.03324	1.3
95.01262	0.5
108.02039	3.1
111.00768	6.6
119.04937	2.0
120.02071	1.2
121.02837	100.0
122.03197	2.9
123.67564	0.4
127.03875	0.6
135.04417	0.5
147.04413	6.5
148.01549	2.5
158.50917	0.4
163.03897	0.5
176.01060	38.5
177.01369	1.9
191.01909	0.9
191.03439	12.1
191.05537	11.8
191.10652	1.0
192.03879	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	191.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20706	0.2
57.03301	0.2
59.01229	0.5
59.06491	0.2
68.99664	0.2
69.73171	1.5
71.01259	0.3
85.02822	2.1
87.00761	1.2
91.01760	0.4
93.03333	0.5
95.01277	1.4
98.20516	0.3
108.02048	8.5
109.02370	0.3
111.00747	1.6
111.04395	0.2
119.04890	0.2
119.85184	0.2
120.02058	2.7
123.00768	0.2
127.03916	0.3
135.00812	0.4
147.04390	0.5
148.01567	6.1
163.00323	1.1
176.01060	100.0
177.01389	4.9
178.99771	0.5
189.72104	0.2
190.99805	0.8
191.03429	15.8
191.05515	7.2
191.07076	0.4
191.10703	0.4
192.00481	0.3
192.03764	0.8
192.05791	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	191.0553
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
52.35275	0.4
57.03307	0.9
59.01252	3.0
66.78803	0.3
67.01762	0.8
69.03314	0.9
69.24464	0.5
69.24770	4.3
71.01263	2.2
73.02807	1.2
81.03329	0.9
81.25692	0.4
83.04890	1.1
85.02818	24.6
86.03146	0.4
87.00751	6.4
93.03331	6.6
95.01245	1.1
96.07038	0.4
99.04378	1.2
108.02043	2.9
108.86396	0.4
109.02834	1.6
111.00739	3.9
111.04400	2.4
119.01273	0.5
120.02037	0.9
127.03902	4.8
129.07680	0.4
133.07030	0.4
147.04384	0.9
148.01540	1.8
163.00262	1.3
171.02888	1.2
173.04471	1.8
174.36557	0.4
176.01065	29.6
177.01433	1.2
191.03635	5.0
191.05524	100.0
191.10390	2.0
192.05914	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	191.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58399	0.1
57.03325	0.9
59.01247	2.5
60.99172	0.3
65.01315	0.2
67.01755	1.0
69.03325	0.8
71.01248	2.2
72.99159	0.4
73.02824	0.7
76.27460	0.2
81.03312	1.1
83.04897	0.8
85.02818	24.4
86.03141	0.5
87.00748	6.6
93.03331	7.1
94.02864	0.2
94.03660	0.2
95.01271	0.6
97.02802	0.2
99.00751	0.4
99.04404	0.9
101.02337	0.2
108.02033	1.3
109.02848	2.2
111.00759	5.0
111.04405	2.5
113.02306	0.3
113.88468	0.2
118.04060	0.2
119.04946	0.2
120.02040	0.4
121.03970	0.2
122.03480	0.3
125.02287	0.2
125.17176	0.2
127.03894	4.8
128.04227	0.2
128.13045	0.2
129.01822	0.5
137.02377	0.3
137.03465	0.2
140.10056	0.2
146.65846	0.2
148.01509	1.0
148.05112	0.2
153.01839	0.3
155.03459	0.3
164.04649	0.3
171.02855	1.5
173.00833	0.3
173.04465	2.4
176.01062	14.5
177.01363	0.6
191.05527	100.0
191.10646	1.5
192.05838	3.5
192.07431	0.3
203.03365	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	191.0553
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03312	0.7
59.01247	2.9
60.99142	0.2
61.69910	0.2
67.01754	1.1
69.03304	0.5
69.34086	1.3
69.34513	0.6
71.01247	2.5
72.99200	0.2
73.02816	1.0
81.03327	1.2
83.01221	0.2
83.04865	0.9
85.02818	23.4
86.03178	0.2
87.00748	5.1
93.03329	7.5
95.01247	0.3
97.02831	0.3
99.00754	0.3
99.04385	1.3
101.02345	0.3
108.02059	0.9
109.02843	1.8
109.99730	0.2
111.00771	2.1
111.04388	2.0
115.95115	0.2
127.03896	4.2
129.01793	0.2
132.42218	0.2
137.02342	0.3
148.01534	0.8
150.84659	0.2
155.03383	0.5
164.04578	0.3
171.02899	1.1
173.04446	2.1
173.76830	0.2
176.01060	6.7
177.01357	0.4
191.05525	100.0
192.05881	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	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03328	1.5
59.01250	4.0
65.13710	0.3
67.01755	1.3
68.34424	0.3
69.03333	0.7
71.01250	2.0
71.24757	0.4
71.25087	0.5
72.99169	2.2
73.02810	0.9
81.03334	0.9
83.04922	1.6
85.02822	23.1
87.00748	10.7
88.01138	0.4
93.02740	0.6
93.03330	7.0
94.82622	0.3
99.04399	1.1
109.02837	1.7
111.00766	16.6
111.04401	3.1
112.98663	0.5
113.02317	2.8
127.03893	4.2
129.01846	0.8
129.05469	6.5
131.03384	0.8
132.98698	0.3
144.45607	0.3
155.03424	2.2
171.02881	0.9
173.04469	2.6
176.01074	0.4
188.60115	0.3
190.49979	0.3
191.05537	100.0
192.05893	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	191.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.7
59.01249	1.3
67.01765	0.6
69.38628	2.3
69.39046	0.5
71.01255	0.9
73.02837	0.3
79.96780	0.3
80.29495	0.3
83.04880	0.4
83.90790	0.3
85.02821	13.1
87.00750	8.2
88.41654	0.3
93.03331	2.9
98.19753	0.7
99.90815	0.3
101.02335	0.3
109.02854	0.9
111.00762	20.4
111.04391	1.2
112.01043	0.4
125.57961	0.3
127.03889	2.2
129.01842	1.4
155.03409	0.4
161.48407	0.4
171.02856	0.6
173.00893	0.4
173.04488	1.2
176.01067	1.3
191.02028	3.2
191.05534	100.0
192.05867	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	191.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19265	0.2
57.03322	1.3
59.01240	1.3
67.01768	0.5
67.17599	0.2
67.33012	0.2
69.03333	0.4
69.73773	1.2
69.74184	0.4
71.01241	1.0
73.02793	0.4
81.03323	0.5
83.04898	0.5
85.02819	15.9
86.03130	0.2
87.00748	9.5
93.03335	3.2
99.04370	0.3
101.02297	0.3
109.02843	0.7
111.00762	26.6
111.04388	1.2
112.01088	0.7
127.03905	2.0
129.01814	2.1
130.99698	0.2
147.02972	0.3
148.94855	1.0
155.03374	0.2
171.02959	0.5
173.00822	0.8
173.04424	1.3
176.01086	0.7
191.01901	5.1
191.05530	100.0
192.05872	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	195.1382
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
71.01864	0.3
71.07401	0.7
78.90094	0.3
86.95359	0.2
90.27190	0.3
109.06461	3.3
111.08031	3.3
123.04400	0.3
125.09591	1.1
132.14073	0.3
135.11633	0.5
138.06718	0.7
139.07605	0.4
150.03070	0.3
151.11182	0.5
152.91632	2.4
160.84116	13.4
165.01839	0.3
167.14325	6.7
167.90370	0.5
179.10684	4.5
180.04224	0.6
180.11235	0.5
194.92781	0.9
194.95427	0.3
195.13826	100.0
195.81023	5.2
196.14185	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	197.0196
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
57.25681	0.3
59.01237	0.8
63.02256	0.4
64.01780	0.9
65.01302	0.5
65.03829	1.8
65.99718	0.5
69.03326	0.4
69.24427	4.0
81.03321	0.8
89.59832	0.3
91.90961	0.4
93.03336	1.2
95.01270	0.8
99.08034	1.2
109.02828	11.4
110.03143	0.5
112.01596	0.4
112.03870	0.4
121.02840	1.7
122.02372	0.5
123.00782	2.4
123.03186	0.4
125.02372	0.5
125.05958	0.6
126.90343	0.4
135.08096	0.5
137.02332	20.2
138.01814	1.1
138.02911	0.5
139.02637	0.5
140.03424	3.6
144.36064	0.4
150.01875	3.6
153.05453	0.7
153.09102	0.8
153.12747	0.7
156.05560	0.5
157.05128	0.5
160.84087	5.1
161.84169	0.6
162.83818	14.5
166.01385	0.8
166.99904	1.8
167.02141	8.6
168.02463	0.4
169.01338	0.3
169.12227	1.5
171.06664	0.9
180.01682	14.7
181.01825	0.4
182.02127	3.1
197.01961	100.0
197.08093	1.4
197.11734	10.0
197.15401	5.6
197.80711	7.2
198.02287	3.4
198.15712	0.5
212.00653	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	197.0813
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
52.86634	0.9
59.01242	1.7
59.98384	4.4
65.01308	1.9
65.34185	1.1
67.01752	1.5
69.53429	7.4
85.02805	3.7
90.00832	1.3
93.03369	1.2
94.04117	1.5
95.01236	1.0
99.04404	8.6
107.04898	1.4
109.02840	1.5
109.08417	1.3
111.04408	1.7
118.17800	1.0
120.05701	1.5
123.00758	2.1
135.08049	13.1
137.02386	1.3
138.03108	1.6
143.02432	1.1
143.31924	1.0
153.09123	100.0
153.12788	3.1
154.09482	4.0
156.05592	2.1
157.05067	2.1
166.99725	1.4
170.03413	1.6
170.04678	1.8
171.06726	3.9
179.07039	1.4
182.02153	4.1
197.04559	4.3
197.08148	64.7
197.11772	13.5
198.08418	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	197.1175
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01752	0.7
57.03298	1.0
59.01250	1.2
65.01318	1.7
69.03313	2.2
71.01261	0.7
71.04879	3.9
71.12656	1.0
75.00755	0.7
83.04916	1.1
96.95913	0.9
97.06425	0.6
102.16543	0.6
104.34417	0.6
109.02834	0.6
109.06422	0.5
111.04445	0.6
121.02853	0.9
123.00758	0.8
123.08104	0.7
125.02322	0.6
125.05983	0.7
125.09651	1.4
135.40775	0.5
141.08971	0.5
151.11240	0.6
153.09076	1.6
153.12744	3.6
155.03488	0.6
157.05080	1.2
160.84082	1.7
162.83839	4.9
166.99725	0.7
169.12225	5.0
170.03427	0.7
170.07140	1.0
171.06689	1.4
171.10132	0.8
179.10683	2.4
182.02116	2.4
197.04498	2.0
197.11758	100.0
198.04137	0.6
198.07851	1.4
198.12141	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	197.1175
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.37010	0.3
55.86336	0.3
58.73863	0.3
59.01251	0.6
69.03324	2.1
69.40089	3.1
69.68239	0.3
83.04891	1.0
97.06459	0.5
106.99234	0.3
123.00740	0.5
123.08058	0.4
141.09076	1.0
148.88585	0.3
151.11166	0.8
153.09093	1.1
153.12744	3.4
160.84097	0.5
162.83809	1.2
164.84831	0.3
169.12244	18.9
170.12627	0.8
179.10655	2.1
182.01981	0.7
197.11748	100.0
197.80710	1.0
198.12065	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	197.1174
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
68.86893	0.8
71.04874	1.1
71.50525	1.2
71.88898	0.7
81.04324	0.9
95.30296	0.8
97.06454	11.7
99.08035	3.7
118.77045	0.8
121.02808	0.7
122.03629	1.9
123.99194	0.7
125.02303	0.9
125.09648	1.2
126.03102	1.0
128.87910	0.6
151.11189	1.2
153.12743	100.0
154.13126	4.3
160.84062	3.4
162.82559	1.1
162.83820	9.6
179.10683	22.4
182.02065	1.2
192.27937	0.7
197.02020	0.8
197.04366	0.9
197.06017	0.9
197.11736	11.1
197.80791	4.9
203.65558	0.8
215.20111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.91604	0.7
57.03324	0.7
58.10305	0.8
59.01243	1.8
59.75723	0.8
61.98700	1.1
69.03326	2.4
71.01229	0.7
71.22150	1.7
75.75003	0.7
83.04887	0.9
95.01223	0.8
98.71165	0.7
101.99046	0.7
116.37471	0.6
116.92731	2.6
123.00753	3.5
126.90408	1.2
141.09103	1.0
153.09090	1.9
153.12758	4.8
154.91205	1.0
160.84125	11.2
161.27065	0.7
161.84135	1.2
162.83821	39.0
166.99777	2.0
169.12251	17.2
179.10652	2.1
182.02132	5.9
195.62976	0.7
197.11752	100.0
197.80714	20.6
198.12115	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	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58028	0.5
55.99696	0.6
57.06987	0.6
59.01249	1.2
61.98693	0.7
69.03315	1.4
70.92665	1.5
83.04901	1.4
94.03707	0.5
95.01279	0.6
105.68441	0.5
111.04424	0.9
112.72737	0.6
116.92720	1.5
121.02834	0.8
123.00783	1.9
125.02277	0.8
125.09571	0.9
126.90445	0.8
141.09116	1.4
151.11179	1.1
153.05417	0.8
153.09091	1.5
153.12743	4.9
160.84114	13.4
161.84201	1.1
162.83817	36.4
166.99783	2.2
169.12254	16.8
176.58313	0.5
179.10678	1.8
182.02109	4.0
197.11761	100.0
197.80736	20.2
198.12131	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	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49064	0.4
57.03315	0.5
59.01233	1.1
65.01302	0.5
66.62054	0.5
69.03340	2.3
71.35623	0.9
71.35954	0.7
83.04889	0.6
90.41908	0.5
97.06519	0.5
141.09131	0.7
151.11220	1.1
153.09097	1.7
153.12753	3.7
156.05510	0.6
157.18213	0.5
160.84164	1.2
162.83839	2.5
166.99788	0.7
169.12267	17.1
170.12570	1.1
171.06671	0.8
179.10703	1.6
182.02113	1.1
197.11766	100.0
197.80676	1.1
198.07790	0.6
198.12071	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	197.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97625	0.4
57.03310	0.5
59.01246	1.4
61.98663	0.6
69.03325	1.8
69.61469	3.4
71.01210	0.5
81.03328	0.6
83.04903	1.2
89.18960	0.4
95.01261	1.0
97.06458	0.6
109.02825	1.2
109.06433	0.5
116.92721	1.5
119.88831	0.5
121.02784	0.6
123.00765	2.1
123.08052	0.5
125.02345	0.8
125.09605	0.8
126.90388	0.7
135.08096	0.5
137.02373	0.8
139.00272	0.6
141.09154	1.1
151.11157	0.8
153.01814	0.8
153.05481	0.8
153.09109	2.1
153.12740	5.9
160.84114	12.3
161.84190	1.2
162.83815	32.6
166.99762	1.7
169.12247	17.5
170.12535	0.7
179.07176	0.4
179.10724	2.3
182.02118	6.0
196.81075	0.6
197.04463	2.1
197.11749	100.0
197.80725	16.9
198.07710	0.6
198.12077	5.6
203.34967	0.4
207.61789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0969
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
57.03309	3.3
58.00458	11.9
59.01237	7.2
60.01537	2.0
61.98686	2.8
68.99682	2.3
69.03310	4.4
70.19415	2.9
70.19831	5.3
71.01247	7.2
71.04894	4.9
72.99193	2.4
73.02812	29.5
83.01270	1.6
83.04886	4.8
84.02052	3.2
85.02802	2.4
95.04895	2.0
97.06457	2.8
99.00738	3.0
99.08015	2.1
101.05918	2.0
109.06443	1.6
111.00742	2.2
111.07980	2.0
113.02306	2.2
116.92719	1.9
117.50933	2.0
119.08531	1.7
123.07994	2.6
125.05978	10.0
125.09611	17.3
127.11160	11.1
135.08058	3.7
137.09622	17.4
139.94135	1.7
141.09108	3.4
143.10664	3.7
151.07545	4.6
153.09097	7.1
155.10687	25.0
156.89409	4.6
161.84111	3.8
162.83818	100.0
163.83868	7.6
164.83521	93.9
171.04431	2.4
171.10168	59.4
172.10570	3.4
181.08647	9.0
198.80824	4.3
199.05879	3.1
199.09673	93.2
199.13338	17.2
199.16928	9.9
199.80428	83.9
200.10025	4.7
200.13658	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	199.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55219	0.3
65.01304	0.8
65.99699	0.4
73.02814	3.8
83.04869	0.3
85.02797	0.4
91.02937	0.5
95.04861	0.3
111.08020	0.4
127.11162	0.3
130.04008	0.7
131.03543	0.5
135.08041	1.5
137.09610	8.6
145.04034	0.5
146.03531	0.3
153.09085	0.3
155.10675	100.0
156.11018	4.2
171.04495	0.3
171.10172	1.1
172.05014	0.9
173.04578	0.4
174.87970	0.3
199.03952	0.8
199.06015	0.7
199.09689	7.6
199.13277	1.2
199.16978	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	199.0969
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
57.03306	3.5
58.00472	7.6
59.01249	4.7
59.23099	1.5
65.01315	4.8
65.99749	1.7
69.03335	3.1
69.30426	2.2
69.30825	13.9
69.78290	1.6
71.01237	5.4
71.04887	2.1
72.99162	2.0
73.02814	26.6
83.04900	3.6
84.02016	3.6
85.02858	1.7
87.55404	1.4
89.01305	1.7
91.02899	2.1
98.20549	3.5
99.08051	2.2
105.04456	2.0
106.04008	2.3
110.59026	1.5
111.00754	2.0
116.02388	2.1
123.08037	3.5
125.05952	8.0
125.09602	15.4
127.11147	11.7
127.11956	1.8
130.04013	4.2
135.08043	3.1
137.09631	15.0
141.09143	3.1
143.10678	4.4
145.03966	2.8
151.07573	5.2
153.09140	7.1
155.10712	16.4
156.05515	1.6
157.05089	3.6
158.03540	3.3
163.07520	2.7
171.06752	2.1
171.10167	54.5
172.05025	6.8
172.06277	2.5
172.10530	1.9
173.04559	3.1
181.08592	9.7
184.00095	4.4
199.04349	2.3
199.05977	9.4
199.09691	100.0
199.13306	22.0
199.16945	4.8
200.09885	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	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
61.16316	0.5
63.04701	0.4
65.01328	0.6
69.35219	3.1
69.35628	1.0
73.02814	3.2
85.39088	0.4
87.33340	0.4
90.98790	0.4
98.20502	0.7
130.03969	0.4
135.08070	1.0
137.09615	8.1
155.10677	100.0
156.11035	3.1
171.10152	0.5
172.04987	0.6
176.52802	0.4
178.28322	0.4
181.08607	0.5
199.06026	0.8
199.09711	6.2
199.13345	2.9
199.17038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03320	0.3
59.01244	2.5
65.01336	1.0
66.00838	0.4
66.47593	0.3
71.59047	0.4
73.02816	1.3
77.19322	0.2
78.91772	0.5
83.04919	0.9
85.02829	0.4
89.01362	0.6
91.02901	0.6
91.30777	0.3
99.00765	0.6
99.08063	0.3
106.03995	0.5
106.54063	0.3
111.08059	1.0
116.02435	0.4
119.02429	0.3
130.03979	1.0
131.03502	0.5
133.03964	0.3
135.08087	0.4
137.09619	7.2
138.09938	0.4
140.01059	0.3
145.04024	0.5
146.03485	0.3
154.36839	0.3
155.10680	100.0
156.11024	4.7
157.05110	0.4
157.08588	2.0
158.03542	0.6
169.12230	0.3
171.08115	0.3
171.10231	0.5
172.05005	0.8
172.06276	0.4
173.04536	0.6
173.08208	0.3
181.08607	1.0
199.04362	0.5
199.06155	1.0
199.07872	0.5
199.09671	9.3
199.13329	3.9
199.16962	1.1
210.68423	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	199.097
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
52.60982	0.2
53.41829	0.3
57.03335	0.7
57.34678	0.3
59.01262	0.8
59.60413	0.3
65.01336	0.6
66.00894	0.3
69.03318	0.4
73.02827	0.4
83.04919	0.8
98.19732	0.6
99.00773	0.4
99.08053	0.3
106.03992	0.3
114.17081	0.3
130.03984	0.7
135.08128	0.2
135.98842	0.3
137.09621	6.8
145.04012	0.3
148.85553	0.3
155.10680	100.0
156.11031	4.6
157.05084	0.4
162.83836	0.4
171.10162	0.6
172.05034	0.8
181.08684	1.4
187.27660	0.3
194.07993	0.3
195.25301	0.4
199.04214	0.3
199.06100	0.8
199.07834	0.5
199.09682	10.7
199.13362	4.3
199.16914	1.3
200.10023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1332
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
59.01241	0.9
62.66436	0.3
66.52384	0.2
71.38718	0.4
83.04893	0.6
125.22204	0.3
127.11167	0.3
128.83069	0.2
155.10684	0.8
163.11165	1.3
169.12242	6.2
171.10075	0.3
172.05005	0.3
176.16714	0.3
181.12250	21.1
182.12633	1.1
197.11725	1.9
199.13321	100.0
200.13667	5.2
205.02875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.5
59.01252	100.0
71.58539	1.5
97.06467	7.6
102.81021	1.2
117.05309	1.0
118.21073	1.0
125.09613	1.1
139.07564	5.0
141.05486	2.8
157.08606	24.6
179.36288	1.1
201.07619	8.6
201.09309	1.3
201.11276	4.4
202.05035	1.2
210.31416	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	201.076
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
50.80286	0.2
52.46717	0.2
53.99954	0.2
54.56626	0.3
59.01247	100.0
60.01577	1.0
60.99154	0.3
69.05787	0.3
69.56957	0.9
69.57390	1.4
73.02817	1.6
79.05415	1.0
79.13396	0.3
79.61010	0.3
87.00787	0.4
95.04894	0.6
97.06467	7.4
111.08058	0.6
139.07530	3.6
139.97450	0.3
141.05460	2.7
150.63245	0.2
157.08603	25.0
158.08977	1.1
183.06636	0.7
201.07620	6.8
201.09424	0.5
201.11255	1.3
210.23909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1124
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03315	1.1
58.00462	2.5
59.01249	2.7
70.34116	0.7
71.01225	0.3
73.02816	0.8
82.03960	0.2
84.02029	0.2
84.16969	0.2
97.06475	0.4
99.08075	0.2
122.68365	0.2
123.08038	0.4
125.05940	0.2
125.09607	6.3
126.09953	0.2
127.11172	11.3
128.11497	0.2
137.09613	2.0
139.11169	1.5
141.93501	0.3
153.09109	0.6
155.10675	4.3
156.11090	0.2
157.12236	1.1
164.83549	0.8
165.09126	4.2
166.83208	0.3
171.10170	4.1
173.05898	0.4
174.06476	0.2
175.06140	0.3
183.10187	2.0
199.09674	3.8
200.09961	0.3
201.11246	100.0
201.80177	0.6
202.11592	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	201.1124
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.31944	0.2
55.13595	0.2
57.03310	0.8
58.00465	2.0
59.01249	8.8
65.01292	0.2
65.59201	0.2
70.98386	0.3
70.98714	0.4
71.01246	0.3
73.02824	1.1
75.50669	0.2
84.83521	0.2
85.00253	0.2
97.06467	0.4
99.92461	0.9
110.82677	0.2
111.08049	0.4
116.56654	0.2
123.08025	0.4
125.05936	0.2
125.09605	6.3
127.11171	11.6
128.11484	0.4
137.09624	1.8
139.11180	2.6
141.93546	0.8
153.09164	0.6
155.10677	4.3
157.12233	0.7
159.01428	0.5
164.83522	1.4
165.09111	3.9
165.83490	0.3
166.83218	0.3
171.10164	4.1
173.05893	0.4
175.06070	0.3
181.08670	0.2
183.10146	2.3
199.09668	3.5
201.02495	0.6
201.11243	100.0
201.80185	0.6
202.11613	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	201.1125
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03319	7.6
59.01248	2.5
59.30612	0.4
61.63119	0.4
65.01314	0.5
69.03318	0.7
69.35022	3.3
71.04899	0.5
77.16496	0.4
98.20611	0.6
111.08018	4.8
127.76549	0.4
137.09613	2.0
139.11180	100.0
140.11510	4.5
157.12228	1.5
183.10184	39.5
184.10544	2.0
201.11247	89.0
202.11604	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	201.1125
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.48985	0.5
57.03321	4.7
59.01246	19.4
65.01321	1.0
65.99715	0.8
69.03323	0.8
73.30908	0.4
73.46353	0.4
75.22302	0.4
80.02538	0.4
82.04003	0.8
82.25198	0.4
83.04915	0.8
91.02885	0.7
95.04882	1.4
97.06460	13.0
98.19804	0.9
99.92451	1.4
106.03965	1.1
107.02380	0.6
108.11443	0.4
113.05923	0.4
121.16077	0.4
123.08043	5.4
125.09607	100.0
126.09943	3.0
127.11167	1.0
130.30647	0.5
132.05568	1.5
133.03960	1.1
133.04977	0.5
139.11172	2.6
141.93503	2.0
148.05032	0.5
155.10699	0.9
157.03426	0.6
158.03552	0.5
159.01472	0.7
159.06679	0.8
160.05048	0.8
164.83511	0.9
169.08597	3.4
172.05161	0.9
173.05968	1.2
173.19870	0.4
174.06662	2.0
175.06197	1.4
177.36598	0.5
183.10202	1.1
185.05934	0.8
187.09683	1.4
201.02412	1.6
201.05475	2.1
201.07642	2.0
201.09319	1.2
201.11237	22.9
201.14873	1.4
202.11636	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	203.1281
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
58.49762	0.4
59.01237	1.1
65.01311	1.0
71.58636	0.8
72.99178	0.8
95.19690	0.4
97.02842	0.6
97.06499	0.4
99.08032	0.8
113.92635	0.4
125.09605	1.2
127.11171	14.9
129.01822	0.7
133.03993	0.4
134.03476	0.8
155.10675	9.0
157.12242	53.5
158.12563	1.9
161.04558	0.6
161.09541	0.4
176.04605	0.5
185.11772	1.3
201.11246	1.2
203.01894	0.7
203.12813	100.0
204.13199	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	9.7
56.37160	2.7
57.03317	4.3
58.00457	3.1
58.02829	5.1
59.01250	80.8
67.01767	5.2
68.99687	14.9
71.01250	86.4
71.06431	5.6
72.99174	44.1
73.02824	19.1
75.00742	44.1
82.10669	2.9
83.01257	17.3
85.02825	6.5
87.00750	76.0
87.84248	3.1
89.02319	6.3
95.04880	4.2
96.99177	13.4
97.47079	3.1
99.00755	38.7
99.04411	5.4
100.98693	5.9
101.02308	9.4
103.00252	7.5
106.61134	2.8
111.00752	42.4
112.98688	13.2
115.00250	100.0
117.01804	16.3
124.97298	2.8
124.98677	13.8
124.99519	2.9
125.02346	14.4
127.00240	15.8
129.01842	15.8
130.99748	14.2
142.99788	23.7
143.03426	3.7
145.01321	26.7
154.99747	19.5
157.01305	6.0
173.00829	6.4
175.02344	9.6
175.06085	5.8
187.06134	3.3
205.03423	10.5
205.05344	5.3
205.07089	20.7
205.08777	5.7
205.12253	6.4
205.15857	5.7
206.04372	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	205.159
Annotation	beta-Irone
Peak:m/z	Relative Intensity
54.55973	0.1
55.78543	0.1
59.01226	0.1
66.62614	0.1
69.51595	0.1
69.66566	0.1
70.43324	0.4
74.86628	0.1
83.72666	0.1
87.45632	0.1
88.70184	0.1
110.05752	0.1
114.89314	0.1
115.65988	0.1
133.02921	0.1
162.89264	0.2
189.12779	2.2
205.15907	100.0
206.16251	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	206.0815
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
58.02847	30.8
58.81438	1.2
60.92639	1.3
69.33628	5.8
69.34060	5.3
70.02850	12.0
70.34669	1.2
72.00778	4.8
73.96229	1.0
75.76576	1.1
77.73561	1.1
80.65090	1.1
91.05412	9.3
119.70803	1.2
147.04419	34.3
162.09196	1.4
163.34619	1.3
164.07071	100.0
165.07304	2.8
206.08167	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	207.0292
Annotation	Fraxetin
Peak:m/z	Relative Intensity
59.01248	0.7
63.92778	0.2
69.03340	0.4
70.39055	0.7
70.97018	0.2
77.84177	0.2
80.95222	0.3
80.96367	0.4
83.04936	0.2
87.88682	0.2
91.01749	0.3
92.32852	0.2
95.01270	0.8
95.02297	0.3
107.01289	0.3
108.02048	1.1
109.06461	0.9
119.01322	0.3
120.02081	1.3
121.02807	0.3
123.00791	1.6
127.88866	0.3
135.04399	0.6
136.01558	3.4
147.00780	0.4
147.04459	0.4
148.01559	4.6
150.47646	0.2
151.00366	0.3
156.01340	0.3
161.34879	0.3
163.00288	1.2
163.03894	0.7
163.11188	1.1
164.01057	8.5
175.00293	0.5
177.01807	0.5
178.99779	0.6
179.03426	2.1
189.09039	0.4
190.99806	0.6
192.00557	100.0
193.00929	4.1
193.03642	0.3
198.17896	0.3
206.99382	1.1
207.02919	26.0
207.10161	1.4
207.13788	0.4
208.00027	0.5
208.03235	0.9
208.06113	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	207.1019
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.67606	0.7
57.03324	1.1
59.01246	30.4
60.43664	0.8
62.74302	0.7
64.62562	0.8
65.01305	0.9
65.03840	1.0
65.99699	0.8
69.99541	0.8
71.59039	1.5
73.58367	0.7
75.00746	1.1
80.02519	4.8
81.03333	11.7
83.02415	1.1
83.04884	7.8
85.02820	1.3
86.51379	0.7
93.03336	3.1
94.06826	0.8
95.04896	2.4
97.02824	3.1
97.03882	1.0
106.04092	2.6
107.04913	4.1
107.28881	0.8
109.06469	100.0
110.03606	0.9
110.06812	3.1
119.04855	1.3
121.02839	1.2
121.06487	7.5
123.04422	1.2
125.09890	0.7
132.89386	0.8
133.06485	2.0
135.04422	1.4
135.08041	13.7
136.05193	1.1
137.09595	1.7
142.02557	1.8
145.10123	2.2
145.93748	0.8
149.02385	0.8
149.09613	0.8
161.02209	0.9
161.09613	5.6
163.00233	0.9
163.07538	1.3
163.11185	37.4
164.11462	1.8
164.89461	1.1
165.09088	0.9
169.63614	0.8
177.01851	10.0
178.02191	0.8
189.09099	2.5
192.00537	3.4
192.04211	8.9
193.01015	0.9
200.28358	0.8
207.02864	3.8
207.06583	3.1
207.10191	42.3
207.13806	1.6
207.76228	0.8
208.10486	2.6
220.68985	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	209.1176
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
57.03325	2.3
59.01247	100.0
60.01577	0.8
61.79756	0.6
67.40829	0.7
80.02551	2.1
81.03313	1.4
83.04907	2.2
91.82616	0.8
97.06477	2.9
109.06481	3.6
109.72378	0.6
121.02835	13.2
123.06326	0.6
155.74339	0.7
163.11147	2.3
165.12785	5.4
181.12169	0.9
209.04453	2.3
209.11752	46.4
210.12115	2.4
229.34048	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	209.1176
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03310	4.6
59.01247	13.4
69.02946	1.4
69.03323	27.1
69.53993	5.0
71.01237	1.5
71.04889	4.3
78.74911	0.6
83.04901	3.5
93.03318	2.2
95.04889	3.1
97.06445	1.2
98.20512	1.5
107.08552	1.3
108.05697	1.8
109.06469	2.3
111.08032	5.6
114.40621	0.7
121.02844	6.7
121.10115	2.9
127.07506	1.7
135.08041	2.9
137.09554	0.7
139.07530	1.6
147.11667	2.5
153.09116	8.8
163.11215	4.5
165.09074	3.4
165.12750	23.1
166.13106	1.6
173.09557	1.7
181.12253	25.2
182.12585	1.3
191.10698	29.9
192.11105	1.4
200.98856	0.7
209.11758	100.0
209.34775	0.6
210.12119	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	209.1176
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.97597	0.9
56.45108	0.8
57.03313	3.2
59.01250	11.9
69.03320	28.3
70.03673	1.0
71.01227	1.1
71.04884	4.2
83.04887	4.3
86.73689	1.1
87.08687	1.0
92.99651	0.9
93.03307	2.6
95.04903	2.8
97.06519	1.4
107.08569	1.1
109.06468	2.3
111.08032	5.3
121.02805	8.5
121.10081	1.5
127.07543	1.2
135.08034	3.0
139.07541	2.6
147.11621	3.1
153.09149	7.1
163.11171	4.1
165.09097	4.1
165.12756	19.6
181.12231	20.3
191.10686	25.9
192.11102	1.9
209.11755	100.0
210.12163	4.6
223.65364	1.0
229.12276	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
59.01245	1.2
69.22536	0.4
69.33188	3.7
71.27101	0.4
84.01445	0.3
98.19827	1.0
121.02835	6.3
127.58479	0.3
164.94052	0.4
181.12259	0.7
191.10742	0.6
206.70132	0.4
209.11763	100.0
210.12114	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	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01751	3.4
57.03318	1.8
59.01233	1.2
69.03308	0.7
71.01263	0.4
71.04897	1.0
71.57745	0.6
79.22768	0.3
80.02562	0.6
81.03326	3.9
83.01253	29.1
83.04893	4.4
84.01586	0.6
84.02051	1.0
93.03316	0.5
95.04887	1.4
95.19954	0.3
97.06464	4.3
99.04358	0.5
109.06464	0.6
111.08028	0.6
121.02843	5.4
123.08029	2.4
125.06021	0.4
125.09607	24.4
126.09957	0.9
135.08063	1.8
145.10110	0.4
147.11690	0.8
159.22536	0.3
163.11189	10.8
164.11591	0.5
165.12761	4.0
167.10692	0.4
173.09630	0.4
181.12274	1.2
191.10684	8.8
192.11011	0.6
206.18974	0.3
209.11755	100.0
210.12094	5.8
213.42867	0.4
227.54779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1176
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
55.01746	1.4
57.03323	7.7
58.00473	1.0
59.01242	3.1
67.04799	0.8
67.52704	0.8
69.03316	2.3
69.59161	5.8
71.01244	17.2
71.04879	1.6
79.52129	0.7
80.02535	2.2
81.03324	3.1
83.01256	6.2
83.04855	5.1
84.02038	1.1
85.02775	0.8
93.03320	1.7
95.04893	3.9
96.11880	0.8
97.06448	5.9
98.20607	1.5
107.04868	1.0
108.02097	0.8
109.06469	0.9
111.08012	2.3
111.30465	0.8
112.01483	0.9
121.02835	18.8
122.03179	1.0
123.08057	1.1
124.03940	0.9
125.02327	0.8
125.09602	9.6
134.03642	1.6
135.08041	2.2
137.09645	1.8
144.00610	1.0
145.10129	1.8
147.11650	1.6
151.11177	23.7
152.11458	1.1
153.12738	3.2
161.09637	1.0
163.11189	10.7
164.94057	0.9
165.12753	21.3
167.10649	1.6
173.09616	1.9
173.22661	0.8
179.10661	5.7
181.12253	33.2
182.12601	0.8
191.10692	16.0
192.11168	0.9
194.05663	0.8
209.04454	2.4
209.11754	100.0
210.12067	6.3
217.12302	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	209.1176
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
55.01759	0.7
56.68348	0.6
57.03316	4.5
59.01239	1.9
62.11143	0.6
69.03310	2.6
70.82558	1.4
70.82895	1.2
70.84676	0.5
71.00887	1.1
71.01252	15.7
71.04861	0.7
73.02815	1.0
80.02553	1.3
81.03332	2.8
83.01249	10.7
83.04896	4.2
84.02036	2.5
93.03338	1.3
95.04887	2.7
95.06496	0.5
97.06465	4.0
99.04359	0.7
105.87018	0.7
108.02080	0.5
109.19368	0.6
111.08029	1.6
112.01543	0.9
116.75074	0.6
121.02840	12.6
123.08025	2.1
125.09608	12.6
129.70209	0.6
134.03593	1.2
135.08037	2.6
137.09586	0.9
145.10106	2.2
147.11702	3.4
149.09659	0.7
151.11185	21.9
151.12410	1.1
152.11496	0.7
153.12761	2.6
161.09608	1.4
163.11201	10.4
165.12764	15.1
167.10680	1.1
168.55453	0.6
173.09625	2.4
179.10635	4.1
181.12257	29.2
182.12584	1.5
191.10699	15.0
192.11024	1.1
209.04549	1.9
209.11758	100.0
210.12088	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	209.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14663	0.2
57.03305	0.3
59.01252	0.5
70.41506	0.9
76.36600	0.3
80.02549	2.2
81.03325	2.1
83.04893	9.5
84.05231	0.3
93.03319	0.6
95.04892	1.4
97.06441	0.5
106.04118	0.3
109.06480	0.3
121.02845	6.8
125.02422	0.2
125.05975	1.2
135.08081	1.2
138.51750	0.2
139.03831	0.2
149.02315	0.3
150.03014	0.2
156.05611	0.3
163.11200	6.7
164.11548	0.3
165.12761	4.7
181.12245	1.2
183.06694	0.5
191.10725	1.9
209.11758	100.0
210.07838	0.4
210.12090	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	209.1177
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
55.19583	0.4
62.07872	0.4
69.34568	1.3
69.34991	2.7
80.02537	2.2
81.03330	1.3
83.04893	8.5
95.04214	0.3
95.04900	1.4
96.57423	0.4
121.02854	0.7
125.05944	0.7
130.80952	0.4
133.19827	0.5
135.08044	1.2
147.11755	0.5
150.01031	0.4
154.92267	0.4
163.11180	6.8
165.12740	3.9
181.12276	1.2
191.10725	2.4
209.11754	100.0
210.12099	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	209.1177
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
59.01255	0.4
69.25174	0.3
80.02544	2.7
81.03324	2.3
83.04894	9.5
95.04881	1.4
97.06442	0.7
109.06476	0.9
121.02858	0.9
125.05952	0.8
135.08031	0.9
163.11206	6.7
164.11572	0.5
165.12747	4.1
181.12292	1.5
191.10678	2.0
192.49405	0.3
203.41788	0.4
209.11758	100.0
210.12103	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	209.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83154	0.2
80.02543	2.3
81.03324	1.5
83.01299	0.2
83.04890	8.0
93.03310	0.4
95.04887	1.2
98.19728	0.3
109.06453	0.5
116.40102	0.2
120.02094	0.2
121.02831	2.1
125.05958	0.7
135.08038	0.8
147.11703	0.4
149.02252	0.2
158.98207	0.2
161.02338	0.3
163.11201	6.5
164.11497	0.6
165.12758	3.8
165.14091	0.3
173.09608	0.3
181.12291	1.2
183.06624	0.2
191.10706	1.7
209.11758	100.0
210.12097	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	211.0605
Annotation	GEIR-1
Peak:m/z	Relative Intensity
69.13515	0.7
69.89114	3.7
74.46664	0.5
102.66068	0.7
107.04916	0.6
109.02838	2.2
114.13044	0.6
123.04420	1.3
124.01528	2.3
132.59425	0.6
136.01540	1.8
137.02339	11.8
139.03915	2.3
147.40437	0.7
150.03137	2.2
151.03918	6.4
152.04697	100.0
153.04994	3.8
167.03459	1.1
167.07050	8.0
177.01888	2.9
193.05020	7.8
196.03705	23.8
211.06064	21.7
211.13248	1.3
212.06564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0759
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
58.44854	0.1
59.01244	0.2
67.24133	0.1
70.98846	0.2
80.52377	0.1
91.01759	0.3
93.03336	2.0
95.01230	0.2
95.04912	0.1
108.02048	0.4
108.50230	0.1
115.05402	0.2
117.03339	0.5
119.04912	1.0
121.02850	1.4
123.04338	0.1
130.04152	0.2
141.07004	0.1
143.04926	5.0
144.05225	0.2
145.02852	0.1
152.04678	0.1
155.04829	0.1
155.08498	0.1
156.05701	0.3
164.56277	0.1
165.07062	0.2
166.90955	0.2
167.04912	1.4
168.05681	0.3
169.06494	5.1
170.06831	0.3
171.04472	0.4
173.05928	0.1
180.05737	0.3
181.06511	0.9
182.07295	0.6
183.04390	0.1
183.08054	1.6
183.13861	0.2
184.05199	0.1
184.08360	0.1
193.06496	1.1
195.04399	0.5
196.05225	4.2
197.05583	0.3
208.05171	0.8
209.06024	7.6
210.06734	2.5
211.07584	100.0
212.07921	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	211.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19078	0.4
69.03329	0.4
70.04301	1.4
70.04716	0.8
71.43004	0.4
79.02545	0.4
83.04918	0.5
108.71615	0.4
155.10655	0.6
158.00337	0.4
158.23341	0.4
165.12729	0.7
167.10614	0.7
167.14346	1.2
171.66994	0.4
183.13815	15.0
184.14204	0.6
193.12271	4.0
211.13324	100.0
212.13673	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	211.1332
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.76001	0.4
69.03333	0.4
69.93814	1.7
69.94221	0.9
70.65224	0.4
72.83624	0.4
84.78640	0.4
155.10663	0.5
160.93489	0.4
166.42764	0.4
167.10699	0.4
167.14349	1.3
181.12224	0.6
183.13811	13.9
184.14102	1.0
193.12273	3.4
194.12585	0.4
209.06158	0.5
211.07768	4.6
211.13318	100.0
212.13658	6.8
234.20140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1333
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.64767	0.2
57.03312	0.5
59.01244	1.0
62.39289	0.2
67.01756	2.2
69.03323	0.3
83.04890	0.8
84.57130	0.2
85.06462	0.5
95.04874	0.2
97.06438	0.4
103.91894	0.4
123.04468	0.2
123.08027	0.5
125.09600	4.9
137.02327	0.2
151.11197	0.4
166.90932	1.3
166.93707	0.6
167.10699	0.3
167.14304	3.9
168.14691	0.2
169.12230	0.2
175.11218	0.3
183.13795	0.7
193.12177	0.5
210.89987	0.2
211.07967	1.5
211.13319	100.0
212.13672	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	213.1125
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03322	5.4
59.01240	2.8
69.03317	0.8
70.88796	0.9
71.01239	1.6
71.04905	0.3
72.02036	1.4
73.02827	0.6
81.18407	0.3
83.04880	1.6
85.02818	1.9
87.00744	0.7
87.04395	2.9
97.06454	1.9
98.03606	2.4
99.04389	0.6
111.08144	0.3
123.08052	2.3
125.05937	1.8
125.09611	10.5
127.07554	0.4
135.08043	0.7
139.11162	0.8
141.09094	6.7
141.12784	1.6
149.09608	0.6
149.75662	0.3
151.07518	1.2
151.11191	8.8
152.11571	0.4
153.09146	3.5
167.10689	2.5
167.57724	0.4
168.71419	0.3
169.08583	0.9
169.12265	3.2
171.10172	0.7
177.09142	2.3
185.11758	1.0
186.08018	0.4
195.08412	0.7
195.10185	11.1
196.10591	0.8
199.43677	0.3
213.11259	100.0
214.11609	6.0
217.12791	0.4
232.86665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1126
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
51.59100	0.4
53.73565	0.4
55.23005	0.4
57.03318	5.8
57.13169	0.4
59.01248	3.5
63.19778	0.4
66.70107	0.5
69.03344	0.5
69.70307	3.0
71.01247	1.0
71.04903	2.3
72.02032	1.6
83.04881	2.1
85.02811	1.9
87.04390	2.9
91.01784	0.6
97.06474	2.1
98.03620	2.9
98.20609	0.7
99.04397	0.5
113.09593	0.4
115.03878	0.8
115.07478	0.5
123.08041	2.6
125.05984	1.5
125.09605	10.2
127.11149	1.2
135.08058	0.5
139.11206	0.7
141.09109	6.8
141.12720	1.3
149.09538	0.5
151.07503	1.4
151.11182	9.3
153.08046	0.5
153.09058	3.1
167.10693	2.8
169.08562	0.7
169.12268	6.2
171.06644	0.6
171.10251	0.9
177.09135	2.7
185.11789	1.0
195.10173	11.5
196.10576	0.4
213.05756	2.3
213.11253	100.0
213.14798	4.3
214.11580	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	213.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.5
59.01259	0.6
65.01318	0.6
65.16803	0.3
65.99742	0.3
66.97855	0.3
69.03334	0.4
69.89520	1.7
73.02822	2.0
97.06511	0.6
98.20573	0.7
98.29888	0.3
103.60732	0.3
105.04443	0.5
106.04021	0.4
106.11439	0.3
106.38938	0.3
116.61102	0.3
121.68101	0.3
125.09612	0.8
144.05513	0.5
151.11188	12.5
152.11501	0.7
167.10721	0.5
169.12251	100.0
170.12599	6.0
171.06676	0.7
185.11752	0.7
186.06677	0.6
187.06093	0.5
195.10245	0.9
209.95010	0.4
213.07585	0.6
213.09293	0.7
213.11253	15.6
213.14900	1.7
213.18552	1.0
214.11592	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	213.1125
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03312	0.3
59.01244	0.6
65.01350	0.3
66.00818	0.3
69.27480	2.9
81.03309	0.3
86.21198	0.3
97.06485	0.9
113.83968	0.2
151.11185	11.8
152.11499	0.7
169.12248	100.0
170.12602	5.4
172.06210	0.4
180.24889	0.3
185.22421	0.3
186.06688	0.5
195.10211	0.9
213.11253	16.9
213.14702	0.8
213.18474	0.5
214.11554	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	213.1489
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01252	0.4
66.50114	0.3
69.51484	0.3
86.70197	0.3
98.03689	0.3
98.19839	0.8
165.12761	0.3
169.12273	0.4
171.06651	0.4
183.13811	27.3
184.14142	1.5
186.06749	0.5
193.66249	0.3
195.13818	24.0
196.14175	1.4
211.13277	0.6
213.14886	100.0
214.15231	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	213.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.7
61.62570	0.3
69.03326	0.4
70.21778	0.3
71.01238	0.4
71.30383	0.7
73.83553	0.3
83.04919	0.3
89.90450	0.3
93.03353	0.3
95.04929	0.3
99.06405	0.3
106.04021	0.3
137.09680	0.6
139.67041	0.3
151.11140	0.4
167.10695	0.3
167.14340	1.5
169.12234	1.0
169.15840	0.4
171.06680	0.5
172.06302	0.3
177.12764	0.5
183.13812	5.6
183.15320	0.4
185.11731	0.4
186.06778	0.6
195.10194	0.8
195.13829	17.6
196.14182	1.0
211.13368	1.9
213.11389	3.5
213.14902	100.0
214.15236	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	214.108
Annotation	2-Amino-9,10-epoxy-8-oxodecanoic acid
Peak:m/z	Relative Intensity
55.01772	0.6
56.11549	0.7
57.03319	2.5
62.59625	0.6
64.86864	0.7
69.54900	3.5
69.55323	1.7
72.04413	15.5
73.02818	1.2
76.42542	0.7
83.01270	2.7
95.95164	0.8
96.95845	0.8
119.37648	0.8
140.10706	5.9
142.12271	100.0
143.12642	4.0
144.00830	1.2
168.10210	37.7
169.10516	1.4
170.11772	42.7
171.12189	1.9
214.07518	1.5
214.10785	34.9
215.00914	16.9
215.11060	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	215.0919
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
53.80725	0.4
55.01755	0.9
57.03304	0.6
59.01242	0.9
71.01252	0.5
71.58503	0.6
73.02814	100.0
74.03146	0.9
79.05394	2.9
85.02838	0.4
93.03345	1.0
95.04893	2.5
97.02832	0.4
97.06455	6.3
97.22661	0.4
115.45067	0.4
117.01806	0.9
123.04397	0.9
125.09626	1.9
127.11183	1.6
129.42743	0.4
141.05463	19.8
142.05829	0.8
143.10651	1.7
144.00783	1.3
145.03957	0.5
146.06013	1.0
153.09106	4.7
171.01917	0.4
171.10170	46.6
172.10506	2.1
177.91460	0.4
188.04515	0.4
197.08075	1.0
215.00912	10.3
215.03017	0.6
215.09174	29.5
216.01219	0.6
216.06552	0.5
216.09528	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	215.1284
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
50.43858	0.3
50.44580	0.2
57.03314	0.5
59.01248	0.6
65.01315	0.7
65.99718	0.3
71.01243	0.9
71.04892	0.7
72.02039	0.5
73.02808	0.7
77.16140	0.3
79.66884	0.3
91.02898	0.3
91.26577	0.3
94.03920	0.3
97.06470	0.3
106.03988	0.5
123.08067	0.4
125.08848	0.3
125.09575	1.5
127.11172	2.6
134.03464	0.3
141.09175	0.4
141.12720	0.9
143.10695	0.7
144.00807	2.3
146.03540	0.3
146.07175	0.2
151.11218	0.6
153.09088	0.8
153.12735	0.8
155.10657	1.0
161.09691	0.3
169.12253	1.1
171.01950	0.5
171.10172	11.8
172.10458	0.5
173.04474	0.3
179.10701	1.4
185.11716	1.8
188.08241	0.3
195.10173	0.3
197.11758	5.7
213.11241	4.8
215.00923	13.3
215.12814	100.0
216.01276	1.0
216.13158	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	217.1074
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
55.01760	1.0
59.01249	2.3
64.74413	0.3
66.93004	0.3
69.59581	2.2
73.02817	28.8
74.03149	0.4
85.51989	0.3
95.04905	1.0
97.06461	8.6
98.06795	0.5
98.20512	0.5
99.08048	1.3
109.02874	0.3
113.06030	0.3
124.76766	0.3
125.05972	14.3
126.06263	0.5
131.07056	1.0
137.09627	1.0
143.07037	100.0
144.07381	4.1
155.10677	24.6
156.11012	1.3
165.76843	0.3
199.09680	3.7
217.04961	0.7
217.10741	32.8
218.11119	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	217.1075
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
55.01736	0.6
57.65348	0.3
59.01255	1.5
65.99699	0.3
67.06635	0.2
69.03294	0.4
71.13967	0.4
71.14304	0.3
73.02815	27.4
74.03140	0.4
95.04900	0.7
97.05856	0.6
97.06458	7.0
98.35803	0.3
99.07986	1.3
111.33817	0.2
124.27251	0.3
125.05972	12.4
131.06996	0.5
131.61813	0.3
137.09590	0.7
143.07036	100.0
144.07384	3.4
155.10678	23.4
156.11049	0.9
171.05544	0.3
172.79987	0.3
174.99178	0.4
176.79501	0.3
190.06111	0.4
199.09753	4.3
217.10771	32.9
218.11067	1.8
227.22925	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	217.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.8
59.65414	0.6
67.86694	0.7
69.34868	3.4
69.35298	2.9
74.11958	0.9
85.45618	0.6
97.67900	0.6
125.09637	1.8
127.11166	2.3
137.09612	3.7
153.09114	1.1
155.10678	44.4
156.10983	1.6
169.66023	0.7
171.10175	60.7
172.10481	3.3
176.03461	3.4
181.08607	0.9
182.89384	0.7
196.04773	0.6
199.09668	7.0
215.08887	0.8
217.10744	100.0
218.11072	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	221.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.1
55.35408	0.6
56.97617	0.8
57.03331	4.4
59.01246	21.6
67.01759	1.6
68.99674	2.5
69.03326	8.3
69.82716	2.5
69.83138	1.8
71.01251	20.0
71.50658	0.7
72.00791	1.1
72.99175	8.6
73.02814	12.3
75.00735	3.1
80.96404	0.9
81.03334	5.6
83.01247	2.8
83.04893	6.1
85.02820	24.9
86.03150	0.8
87.00748	28.4
87.04382	1.6
89.02311	2.7
93.03329	14.3
94.10180	0.8
95.01256	10.0
95.04872	3.7
97.02814	10.1
99.00751	9.9
99.04397	8.6
100.03898	1.3
101.02337	8.6
103.00245	8.6
105.01868	0.7
108.02044	4.0
109.02836	15.1
109.03568	1.0
111.00751	2.4
111.04410	9.1
113.02326	10.6
113.05944	0.9
115.00232	3.4
115.03886	7.5
117.01794	2.4
121.02853	3.0
122.89311	2.7
123.00771	13.0
123.04410	24.8
124.04685	0.9
125.02345	3.8
127.03904	23.7
129.01826	4.9
131.03392	9.6
133.01324	1.0
137.02319	2.8
139.00275	1.1
139.03918	2.0
141.01837	40.6
141.05429	3.9
142.02132	0.8
143.03424	2.3
146.82121	0.8
149.02382	0.7
151.04141	0.7
155.03445	3.8
157.01312	1.4
157.05002	1.4
159.02895	3.2
159.06570	1.6
161.04454	2.4
166.99750	1.0
167.03496	0.7
171.02911	0.8
173.04483	9.2
183.24800	0.8
185.00853	2.9
191.05542	11.8
203.01904	7.6
203.05609	5.9
206.09381	0.8
221.03329	14.0
221.06602	100.0
221.11743	3.2
221.15237	1.4
222.03561	0.8
222.06688	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	221.154
Annotation	Kobusone
Peak:m/z	Relative Intensity
59.01241	0.6
59.95404	0.1
62.52111	0.1
67.62828	0.1
71.30278	0.3
74.91160	0.1
84.79247	0.1
127.07560	0.8
128.18211	0.1
148.05206	0.5
149.05843	0.3
151.07544	0.5
164.08322	2.3
165.08987	0.3
166.63249	0.2
178.62550	0.1
184.12103	0.2
205.12317	1.5
206.12572	0.9
207.13840	1.4
220.14619	3.9
221.15396	100.0
222.15741	7.7
235.13333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.7
59.96597	0.7
69.80624	1.0
74.79107	0.2
74.98941	11.7
75.96089	0.5
75.98866	0.4
85.02820	0.2
93.00008	11.2
93.03346	0.2
93.99953	0.4
96.95887	0.5
98.19852	0.4
101.02328	0.2
121.02814	0.3
144.53238	0.2
149.00853	11.2
150.00891	0.4
150.98778	0.6
151.03847	0.3
189.51314	0.2
193.01328	0.5
206.99635	4.6
207.99765	0.4
208.03650	0.8
223.02774	100.0
223.13303	1.5
224.02805	8.5
241.03845	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	223.0607
Annotation	Trinexapac
Peak:m/z	Relative Intensity
52.69352	1.1
59.01248	5.2
59.91447	1.3
67.01758	10.6
68.99686	65.1
69.03323	100.0
70.03639	2.4
73.02840	1.3
91.05398	1.1
91.49610	1.1
93.03322	7.2
95.01241	1.5
95.04926	1.7
97.02852	1.7
98.19749	2.2
99.00753	3.3
101.02318	79.0
101.19665	1.2
102.02636	1.7
102.57497	1.1
105.03295	1.4
107.04902	1.4
109.02843	1.3
119.04919	12.3
121.02843	45.6
122.03130	1.4
123.04413	2.8
126.32989	1.2
127.03896	20.1
135.04404	3.6
147.04433	12.5
149.02353	19.3
151.03786	1.7
153.01782	1.7
161.06021	1.4
163.03914	7.2
163.11157	1.2
164.04593	1.7
179.03453	2.4
179.07080	11.2
179.10596	1.3
181.04985	8.8
191.03412	4.2
208.03726	3.9
223.02486	2.3
223.06018	8.6
223.09729	1.9
223.13319	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0607
Annotation	Sinapate
Peak:m/z	Relative Intensity
54.80255	0.8
59.01241	1.3
61.45804	0.8
67.01751	2.1
69.51282	6.6
71.01252	1.5
75.50809	0.9
76.94508	0.8
81.92989	0.8
93.03329	17.2
93.95901	0.9
96.90558	0.9
109.02809	1.7
119.01257	1.8
119.04867	0.8
121.02836	29.0
123.04398	1.4
135.04407	11.0
136.07527	1.7
137.02332	2.3
149.02335	67.8
150.02670	2.6
151.03877	3.0
152.01038	21.4
162.49811	1.0
163.03906	19.3
164.01086	1.7
164.04691	38.6
165.01840	17.0
165.05006	2.2
167.03394	3.7
169.04982	9.0
179.07011	14.3
179.08318	1.5
180.00562	1.0
180.04269	1.3
193.01337	80.2
194.01720	2.7
205.31714	1.0
207.02826	0.9
208.03693	100.0
209.04094	5.5
223.06033	49.8
223.09344	1.3
223.13284	1.4
224.06351	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	223.0607
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
59.01252	1.3
65.00205	2.2
67.01768	1.5
71.01270	0.7
71.12170	0.8
71.12539	1.3
72.99181	0.8
73.41879	0.7
83.30556	0.6
83.44003	0.7
91.01782	1.7
91.02819	0.7
93.03329	19.5
98.02430	0.7
107.01318	0.8
109.02877	1.1
119.01283	1.2
121.02834	36.5
122.03227	1.9
123.00745	0.8
123.04448	0.7
134.03636	1.3
135.00781	0.8
135.04419	12.4
136.01570	1.3
136.09821	0.7
137.02357	2.7
147.04405	0.8
148.01515	1.2
149.02339	83.1
150.02644	3.8
151.03891	2.0
152.01047	18.5
163.03900	18.4
164.01048	3.0
164.04691	45.0
165.01823	17.6
165.05049	3.0
167.03398	2.4
169.04980	7.9
179.03403	1.4
179.07042	15.7
180.04156	1.1
180.07399	0.7
193.01341	75.6
194.01672	3.0
208.03697	100.0
209.04024	5.5
223.06050	55.3
223.13347	1.3
224.06361	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	223.0971
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
59.01242	4.3
59.98383	2.1
69.03300	2.3
69.55013	15.9
71.01237	2.1
73.02806	2.6
81.06976	3.5
93.03342	2.5
97.02812	3.0
99.04390	6.4
105.82481	2.3
107.04880	4.2
111.04383	6.1
119.04897	3.3
121.02784	2.9
121.06451	2.8
135.04430	4.1
135.11668	22.3
146.07306	3.0
147.04434	4.7
161.09630	31.4
163.03906	4.7
179.10690	100.0
180.11005	5.5
191.03453	3.0
193.01335	4.5
196.06201	2.6
205.08501	5.0
208.03709	4.3
223.06061	6.0
223.09682	45.1
223.13171	4.4
224.09924	3.3
242.54117	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	223.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.3
59.98383	2.1
69.03300	2.3
69.55013	15.9
71.01237	2.1
73.02806	2.6
81.06976	3.5
93.03342	2.5
97.02812	3.0
99.04390	6.4
105.82481	2.3
107.04880	4.2
111.04383	6.1
119.04897	3.3
121.02784	2.9
121.06451	2.8
135.04430	4.1
135.11668	22.3
146.07306	3.0
147.04434	4.7
161.09630	31.4
163.03906	4.7
179.10690	100.0
180.11005	5.5
191.03453	3.0
193.01335	4.5
196.06201	2.6
205.08501	5.0
208.03709	4.3
223.06061	6.0
223.09682	45.1
223.13171	4.4
224.09924	3.3
242.54117	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	223.1334
Annotation	Annuionone A
Peak:m/z	Relative Intensity
51.49689	0.3
56.93241	0.2
57.03325	0.7
59.01245	1.8
61.96376	0.2
64.31004	0.3
71.01245	0.4
71.19053	0.6
71.19395	0.3
71.75636	0.2
73.02801	0.3
83.04884	0.4
87.00828	0.2
90.09985	0.3
101.02366	0.3
101.43418	0.3
103.32305	0.3
123.08054	0.3
141.01559	0.3
149.02254	0.3
151.03964	0.3
163.03812	0.6
165.01880	0.3
179.10715	0.4
179.14345	0.7
189.68936	0.3
193.01357	0.5
195.13794	0.8
205.12308	0.4
208.03690	0.9
223.13330	100.0
224.13666	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	223.1335
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
51.02101	0.8
57.03315	1.9
59.01248	5.1
69.03321	7.3
71.04895	1.9
71.22603	2.0
78.16473	0.8
83.04895	1.3
85.06444	1.9
93.03287	0.9
109.06491	1.5
125.09600	1.4
141.09119	1.1
147.73798	0.8
149.09607	1.8
161.13211	1.5
167.10687	9.5
177.12694	1.7
179.10725	3.3
179.14325	11.2
195.13831	28.8
196.14125	1.4
205.12277	22.6
206.12659	1.5
212.90958	0.9
223.13333	100.0
224.13664	6.7
238.22742	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	223.1334
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.28871	0.7
57.03309	2.6
58.24737	0.6
59.01249	7.2
64.45285	0.7
69.03327	7.2
70.82327	2.3
71.04877	1.8
83.04886	1.2
85.06453	1.9
95.04883	1.3
97.06498	0.7
101.96225	0.7
109.06472	2.0
125.09615	1.6
149.09621	2.7
161.13319	1.2
167.10687	8.5
168.10988	1.4
175.18059	0.6
177.12773	2.0
179.10722	4.0
179.14323	10.9
195.13831	29.1
196.14159	2.5
205.12253	23.4
206.12639	1.3
208.03532	0.7
223.13330	100.0
224.13696	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	225.0761
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
59.01242	1.7
67.01757	6.1
68.99683	66.5
69.03324	32.4
69.34758	11.4
69.35171	3.7
71.01255	3.8
71.48605	1.2
73.02818	1.7
74.76178	1.4
79.01762	1.6
90.20429	1.5
93.03318	5.4
95.01259	58.8
95.04879	3.0
97.02845	3.8
98.98006	1.3
99.00777	1.4
99.04380	2.4
101.02319	99.1
108.02043	1.6
109.06434	2.5
121.02850	7.7
121.06467	3.1
123.00799	2.3
123.04406	37.2
127.03897	1.6
135.04402	1.9
137.02330	2.6
137.05940	1.7
149.02335	5.4
155.03400	100.0
156.03741	3.2
163.11133	2.3
165.01880	2.4
165.05457	3.7
180.04173	1.5
181.04979	4.5
193.04979	6.8
195.06583	1.6
207.10214	5.1
225.04057	2.1
225.07634	6.0
225.11130	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	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.1
59.01249	11.6
60.93544	0.6
65.01313	0.6
67.01736	0.6
68.99694	2.6
69.03330	2.4
69.39556	3.9
69.39986	1.8
71.04897	1.0
80.02538	1.9
80.61609	0.6
81.03326	4.9
83.04882	4.7
84.02057	2.8
85.02846	0.9
93.03349	1.8
95.01228	0.8
95.04884	1.2
95.26299	0.6
95.99229	0.8
97.02824	11.6
97.06478	0.9
99.00742	1.5
99.04399	1.1
101.02305	3.8
106.04089	1.4
107.04923	1.4
109.02856	0.6
109.06467	41.3
110.03582	5.4
110.06827	1.5
121.02876	1.2
121.06453	3.3
123.04403	1.6
123.08085	0.8
125.09542	1.2
135.08051	5.5
136.05202	2.2
137.02452	0.7
141.73119	0.6
142.02631	6.9
153.12669	0.7
155.03403	1.1
161.09668	3.1
163.11179	25.7
164.11526	1.7
165.01820	0.9
165.09056	1.0
179.10672	1.6
181.12259	19.2
181.15955	1.1
182.12584	1.2
189.09111	1.8
197.11836	1.1
198.07884	1.2
199.30589	0.6
207.10194	88.6
208.10558	6.7
225.05478	1.8
225.11263	100.0
226.07356	0.7
226.11632	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	225.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54621	0.8
57.79307	0.6
59.01250	7.4
65.22298	0.6
69.03312	1.0
69.35020	6.5
80.02526	1.6
81.03339	3.3
82.02290	0.7
83.04893	3.0
84.02023	2.2
85.02836	0.8
87.05536	0.8
93.03311	0.7
95.04895	0.9
97.02822	12.5
97.69124	0.8
98.56924	0.7
101.02310	0.8
106.04115	0.9
109.06474	36.8
110.03616	6.3
110.06773	1.2
121.06444	3.1
123.04439	0.8
123.08102	1.0
125.09573	1.2
135.08031	5.1
136.05165	2.2
142.02628	5.4
145.10196	0.8
150.49893	0.7
161.09601	3.1
163.11201	28.0
164.11461	1.4
164.67706	0.7
179.10640	1.0
181.12248	17.0
182.12511	0.8
189.09157	1.3
197.11818	1.0
207.10197	95.8
208.10515	6.2
225.11269	100.0
226.11641	7.0
231.39891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35145	0.4
52.10870	0.4
55.01743	0.4
57.03289	0.5
59.01239	2.5
65.21829	0.4
66.95313	0.4
68.99669	0.7
69.03321	0.8
70.86169	1.3
71.04871	0.6
79.34147	0.4
81.03336	0.7
81.86221	0.4
82.04026	0.4
83.04877	0.9
91.33018	0.4
93.03324	1.2
95.01264	0.6
95.04887	0.5
97.02823	10.8
97.03452	0.5
99.00747	3.4
101.02311	1.5
106.04024	0.4
109.06480	4.5
110.03605	3.5
121.06483	0.8
123.04415	1.1
125.09583	1.2
135.08081	2.0
136.05205	2.0
137.02299	0.5
137.09581	0.5
142.02611	5.4
145.10126	0.6
145.49120	0.4
147.57164	0.4
155.03386	0.5
157.05087	0.4
161.09651	1.2
163.11189	12.4
164.11533	0.7
179.10655	1.4
181.12251	28.7
182.12631	1.7
187.57710	0.4
189.09105	0.4
195.02992	0.6
197.11754	1.4
198.07745	0.5
207.10187	69.8
208.10530	4.5
225.11259	100.0
226.11598	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	225.1126
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.23936	0.4
54.41412	0.5
55.01761	0.6
58.00462	0.8
59.01242	4.3
68.99684	0.5
71.01265	0.6
71.07723	0.9
73.02798	1.0
80.02528	1.0
81.03317	1.4
83.04897	1.8
84.02024	1.1
85.02837	0.7
89.94601	0.5
93.03322	0.5
95.01270	0.6
95.04922	0.8
97.02821	8.4
97.03400	0.8
97.06451	0.6
99.00773	0.9
101.02312	1.0
103.31657	0.5
104.87592	0.4
109.06470	17.1
110.03622	3.9
110.06840	0.5
121.06459	1.5
123.04413	0.9
125.09616	1.4
135.07994	2.2
136.05199	1.9
141.56975	0.5
142.02614	4.2
145.10136	0.6
154.31583	0.4
161.09660	1.2
163.11174	13.8
163.12482	0.9
164.11537	1.0
165.01891	0.5
179.10687	1.3
181.12248	13.0
182.12585	1.1
189.09090	1.1
197.11781	1.3
207.10190	68.8
208.10565	4.8
225.11259	100.0
226.11620	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	225.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.6
69.29803	7.6
69.30154	1.1
70.48846	0.6
71.01234	0.8
71.04896	0.9
83.04896	1.5
91.36364	0.6
97.02820	8.9
99.00761	3.3
109.06448	7.0
110.03638	4.6
121.06479	0.8
125.09587	1.4
135.08064	2.1
136.05190	2.5
142.02611	5.3
161.09595	1.2
163.11192	11.7
164.11476	0.9
179.10759	1.3
181.12248	30.8
182.12570	2.2
197.11732	1.9
207.10184	75.5
208.10529	4.5
225.11263	100.0
226.11604	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	225.1127
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
52.58239	0.7
59.01245	8.2
59.92925	0.7
60.50827	0.6
61.52787	0.7
69.34971	7.0
76.00832	0.8
80.02553	1.1
81.03328	5.7
83.04889	2.7
84.02049	2.3
93.03318	0.9
95.04878	0.9
97.02815	11.2
98.19698	1.4
106.04185	0.9
109.06470	40.6
110.03603	6.2
110.06790	1.1
118.42672	0.7
121.06472	2.5
125.09635	0.8
126.88790	0.8
135.08046	5.7
136.05182	2.0
142.02611	5.5
145.10114	1.2
161.09561	2.8
163.11194	24.6
179.10660	0.9
181.12244	17.3
182.12560	0.8
189.09135	1.1
197.11798	0.9
207.10194	93.6
208.10596	6.2
225.11261	100.0
226.11604	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	225.1127
Annotation	Chloriolide
Peak:m/z	Relative Intensity
57.03304	0.9
58.00457	0.8
58.93627	0.6
59.01250	5.2
62.70087	0.6
68.99686	3.3
69.03329	1.1
73.02811	2.4
80.02538	0.7
81.03339	1.7
83.04890	2.7
85.02804	1.2
93.03326	1.5
95.04878	0.7
97.02821	10.9
98.20544	1.5
99.00751	1.7
99.04382	1.0
101.02334	4.2
106.04132	0.9
107.04943	0.8
109.02872	1.2
109.06474	17.7
110.03612	5.0
111.04423	0.8
111.57504	0.6
118.28999	0.6
121.02881	0.7
121.06484	1.6
123.04395	2.0
123.08072	0.7
125.09607	1.0
135.08055	3.4
136.05220	3.1
136.98691	0.8
137.02312	0.6
139.07631	0.6
142.02608	6.5
145.10097	1.0
146.59209	0.7
152.08389	0.6
161.09634	1.6
163.11195	16.7
164.11504	1.2
176.14314	0.6
178.83333	1.2
179.05424	0.6
179.10674	1.8
181.12273	16.5
182.12601	1.1
188.49374	0.6
189.09277	1.0
195.02983	0.7
197.11801	1.3
207.10204	79.7
208.10570	5.6
225.00273	0.8
225.11269	100.0
226.11610	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	227.0919
Annotation	Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid
Peak:m/z	Relative Intensity
54.57929	0.9
59.01228	0.8
59.76616	0.9
64.54642	0.7
67.01761	27.1
68.99685	51.7
69.03333	1.7
70.00029	1.2
70.91721	1.6
70.92049	1.2
73.03965	0.8
77.50964	1.0
79.87701	0.8
93.03242	0.8
101.02319	100.0
102.02667	1.7
112.01588	1.3
127.03892	42.4
128.04256	1.6
167.03566	1.0
199.93382	0.9
209.08063	1.1
209.11789	2.2
227.09167	9.3
227.16440	2.7
227.20119	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	227.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66597	1.2
55.99141	1.2
59.01255	1.8
65.01295	1.4
67.01756	13.1
68.99684	38.0
69.03323	100.0
70.03650	3.1
71.01234	1.4
71.04872	2.0
71.58466	1.3
71.58874	1.6
80.02538	1.5
81.03326	4.2
83.04890	4.6
84.02058	1.6
84.34782	1.2
93.03332	2.2
95.04879	2.2
97.02789	2.3
97.41699	1.3
99.00723	1.8
101.02321	77.3
102.02660	1.8
107.04899	1.8
109.02848	3.2
111.00739	1.3
111.04362	2.1
121.02829	2.5
121.06424	1.7
123.04402	5.6
125.02299	3.4
125.06046	1.3
127.03896	24.2
137.05986	1.6
139.03853	3.8
151.03896	3.1
155.10722	2.0
157.03813	2.2
157.04976	27.0
163.11098	1.7
165.05421	2.1
165.12770	1.9
167.03337	1.6
178.87035	1.2
183.10136	1.5
187.63510	1.3
195.02986	1.4
197.08017	3.3
204.57690	1.3
209.11751	37.6
210.12070	1.9
212.32359	1.2
215.76768	1.3
227.07164	2.4
227.09154	8.6
227.12828	9.7
227.16443	4.0
227.20084	8.4
246.56328	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	227.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66597	1.2
55.99141	1.2
59.01255	1.8
65.01295	1.4
67.01756	13.1
68.99684	38.0
69.03323	100.0
70.03650	3.1
71.01234	1.4
71.04872	2.0
71.58466	1.3
71.58874	1.6
80.02538	1.5
81.03326	4.2
83.04890	4.6
84.02058	1.6
84.34782	1.2
93.03332	2.2
95.04879	2.2
97.02789	2.3
97.41699	1.3
99.00723	1.8
101.02321	77.3
102.02660	1.8
107.04899	1.8
109.02848	3.2
111.00739	1.3
111.04362	2.1
121.02829	2.5
121.06424	1.7
123.04402	5.6
125.02299	3.4
125.06046	1.3
127.03896	24.2
137.05986	1.6
139.03853	3.8
151.03896	3.1
155.10722	2.0
157.03813	2.2
157.04976	27.0
163.11098	1.7
165.05421	2.1
165.12770	1.9
167.03337	1.6
178.87035	1.2
183.10136	1.5
187.63510	1.3
195.02986	1.4
197.08017	3.3
204.57690	1.3
209.11751	37.6
210.12070	1.9
212.32359	1.2
215.76768	1.3
227.07164	2.4
227.09154	8.6
227.12828	9.7
227.16443	4.0
227.20084	8.4
246.56328	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	227.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64309	0.3
54.72739	0.3
57.03289	0.4
65.07527	0.3
69.03320	0.4
70.72704	0.8
70.73042	0.4
71.04878	0.4
73.84605	0.3
80.02534	1.3
81.03330	1.6
83.04890	6.5
84.02038	3.2
91.28067	0.4
95.04892	0.8
109.06528	0.5
125.05953	0.6
135.08029	0.8
163.11177	5.3
165.12756	3.3
181.12257	0.8
191.10773	1.7
199.13277	1.7
209.11758	100.0
210.12105	7.6
217.00389	0.4
225.66321	0.4
227.12833	5.1
227.20113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61958	0.3
59.01287	0.3
61.49647	0.3
69.76180	0.8
69.76586	1.6
71.04884	0.6
80.02551	1.5
81.03322	1.1
81.77110	0.4
83.04897	6.8
84.02044	2.8
95.04893	1.0
98.20648	0.4
125.05980	0.8
125.09596	0.4
135.08044	1.0
138.80724	0.3
147.11757	0.4
163.11205	4.9
165.12766	4.1
181.12253	0.7
191.10698	1.7
199.13322	1.9
209.11765	100.0
210.12119	6.6
227.12845	6.8
228.13075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.5
61.87327	0.4
69.32394	0.7
69.32806	3.5
69.85297	0.4
71.04887	0.6
75.53400	0.4
80.02545	1.4
81.03335	1.8
83.01192	0.5
83.04897	6.0
84.02031	2.5
95.04904	0.8
97.06485	0.5
125.05980	0.7
129.74350	0.4
135.08047	0.9
137.22078	0.4
163.11208	3.8
165.12785	3.1
191.10718	1.1
209.11761	100.0
210.12085	5.8
227.12863	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	227.1283
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03304	0.4
61.66459	0.4
69.79549	2.8
83.04907	1.6
84.02023	0.6
95.78826	0.4
98.19878	1.0
98.46653	0.5
111.08041	1.3
156.82379	0.4
163.11252	1.1
165.12753	19.1
166.13159	1.1
183.13820	100.0
184.14151	6.9
191.10872	0.6
199.13307	0.5
209.11758	24.5
210.12099	1.5
224.00352	0.6
227.12830	22.6
227.20071	1.4
228.13171	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	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23562	0.2
55.01756	0.3
65.09545	0.2
69.03319	0.2
69.32555	0.9
69.32991	0.7
71.04893	0.5
71.50169	0.1
74.08785	0.1
80.02552	1.9
81.03320	1.5
82.33224	0.2
83.01263	0.4
83.04896	6.4
84.02036	3.2
95.04911	0.8
97.06443	0.3
103.17477	0.2
109.06463	0.3
125.05978	0.8
125.09602	0.4
127.11151	0.3
135.08054	0.9
147.11754	0.4
163.11195	5.0
164.11519	0.4
165.12730	3.2
181.12341	0.9
191.10701	1.3
199.13330	0.2
209.11761	100.0
210.12100	8.4
227.12842	3.3
228.13153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03311	0.5
59.01226	0.3
69.03316	0.2
69.47005	1.9
83.04896	0.6
83.15302	0.2
84.02036	0.5
85.02824	0.7
97.06467	0.4
115.07737	0.2
125.09608	2.1
127.11172	3.7
130.06487	0.3
138.72525	0.2
142.05278	0.2
149.13162	0.2
155.10706	0.3
155.14291	0.8
165.12762	0.5
167.14330	2.0
171.10172	3.6
173.71468	0.2
183.05522	0.2
183.13826	1.7
185.07129	0.6
193.12236	0.8
202.56029	0.2
209.11771	3.0
211.13318	9.9
212.13618	0.8
229.14397	100.0
230.06570	0.2
230.14735	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	229.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.5
59.56096	0.3
60.16343	0.2
70.17200	1.4
71.04883	0.9
74.45575	0.3
83.04913	0.4
84.02051	0.5
85.02805	0.6
85.83115	0.2
97.06476	0.8
97.14711	0.3
98.58508	0.3
102.60760	0.3
125.09614	4.5
126.09956	0.3
127.11164	4.3
128.11557	0.3
131.96562	0.3
137.09622	0.3
155.14316	2.4
160.86893	0.3
165.12758	1.0
167.14371	1.8
171.10207	0.7
183.13800	0.9
185.15451	0.6
186.74706	0.4
200.59595	0.3
201.11212	0.5
209.11798	2.3
211.13399	3.0
212.13492	0.5
228.89233	0.3
229.14403	100.0
230.14758	7.3
230.17081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1438
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.51192	0.4
57.03315	0.9
59.01223	0.7
62.42099	0.4
63.94294	0.4
71.01270	0.5
71.58807	0.4
74.19753	0.4
83.04894	0.4
91.61279	0.5
101.05948	0.6
102.00241	0.5
113.73944	0.4
123.24519	0.5
125.09625	0.6
129.05438	2.7
130.10742	0.4
160.04955	0.4
162.69545	0.4
163.05972	0.4
165.12727	0.5
167.14305	29.1
168.14662	1.0
185.06023	0.8
185.15311	1.0
200.04803	0.5
201.05362	0.7
201.09256	0.9
201.11215	1.3
211.13351	17.3
212.13684	0.9
218.84749	0.5
222.57654	0.4
229.08688	3.1
229.14378	100.0
230.14709	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	230.0664
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
58.00465	0.9
59.01256	8.2
65.99707	2.7
67.01760	0.7
68.01274	2.4
68.99694	1.7
69.03321	2.4
69.38333	2.5
69.38756	3.8
71.01254	9.9
72.99175	6.3
73.02818	9.1
75.00745	1.9
79.09158	0.6
81.03324	1.9
83.01245	2.5
83.04890	0.7
84.00801	0.7
85.02818	5.4
87.00748	38.2
88.01080	1.0
90.03378	1.2
93.03339	2.8
94.02857	2.9
95.01246	1.7
96.00776	3.2
96.04407	2.0
97.02799	3.8
98.02348	3.0
99.00777	4.2
99.04400	1.7
101.02338	1.6
103.00232	3.0
108.02058	1.0
108.04424	3.5
109.02826	6.6
110.02335	2.9
111.00745	2.4
111.04395	1.7
112.00278	2.5
112.03910	1.9
112.52970	0.7
113.02306	3.3
115.00272	3.9
121.02816	2.2
123.00738	2.3
123.04381	3.6
124.03938	5.0
125.02328	5.8
126.01877	3.3
127.00230	2.3
127.03864	3.4
129.01816	1.4
130.99710	0.8
131.03317	0.8
132.04460	6.4
136.03990	1.3
138.01846	0.9
139.00255	1.9
139.03918	4.2
139.04875	0.9
140.03448	4.1
141.01854	2.1
141.05455	1.0
142.01343	1.9
142.99754	0.9
143.03467	1.0
148.03970	4.5
150.01837	1.7
150.05521	3.7
152.03403	2.8
153.01848	0.8
154.99722	1.7
157.01302	0.9
166.04936	3.4
168.02924	1.6
168.06587	1.2
169.01311	1.6
170.04494	4.1
171.02905	6.0
173.04420	3.2
176.03453	2.5
186.07565	1.7
188.97121	1.0
194.04539	1.9
205.97922	0.7
207.33705	0.7
212.05656	1.8
230.06645	100.0
231.00325	1.4
231.06976	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	231.1233
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
50.97213	0.6
52.28728	0.6
59.01248	20.7
63.13512	0.5
65.01318	0.6
65.99699	0.6
68.07554	0.7
71.58865	0.5
71.59347	0.9
72.99182	11.7
75.00742	41.3
88.64091	0.6
89.53482	0.5
97.06453	0.7
101.51158	0.5
122.03636	1.3
127.11176	1.8
134.03609	4.8
135.04564	0.6
151.11172	2.1
152.03436	16.8
155.10695	0.7
157.24983	0.6
167.10693	0.8
169.12239	19.2
171.10175	64.4
172.10524	2.1
187.07570	2.3
202.06284	0.9
203.10728	0.8
213.09251	1.1
213.11232	6.4
231.12315	100.0
232.12639	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	233.1026
Annotation	ascr#11
Peak:m/z	Relative Intensity
50.64452	0.5
52.31866	0.5
55.01750	0.9
66.57561	0.4
67.29780	0.3
71.06379	0.9
73.02814	62.4
74.03153	1.4
79.05387	0.5
85.02824	5.6
85.24138	0.4
97.06411	1.0
117.11970	0.5
141.05469	4.6
142.05766	0.6
153.09108	0.9
159.06529	100.0
160.06876	3.9
171.10178	14.7
172.10448	0.9
197.08052	0.5
215.09184	15.9
216.09349	1.0
233.10249	70.7
234.10571	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	233.1542
Annotation	Confertifoline
Peak:m/z	Relative Intensity
52.00493	0.1
52.79108	0.1
57.38939	0.1
59.01250	2.2
63.94764	0.1
67.50980	0.1
70.12302	0.7
75.00739	0.2
117.72984	0.1
177.91255	0.1
188.98473	0.2
217.12267	0.6
233.15407	100.0
234.15749	10.5
250.11922	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	235.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39446	0.3
56.05381	0.3
57.03323	0.4
58.99474	2.9
59.01250	6.1
69.82907	1.7
71.01257	0.6
72.99174	0.4
85.02803	0.4
87.00723	1.5
103.02111	5.1
104.03394	0.6
105.03675	100.0
106.04084	1.6
108.04459	0.5
122.89333	0.5
125.04308	0.3
128.14272	0.4
144.04427	0.4
147.01021	0.4
147.04691	0.6
164.07034	0.4
175.04247	3.7
193.05327	15.7
194.05617	1.0
203.01797	0.3
207.13870	0.3
227.85228	0.3
235.06311	1.8
235.10043	0.9
235.13324	0.6
236.05522	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	236.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41761	0.2
53.05164	0.2
59.01246	0.7
69.35112	1.5
69.35521	0.4
101.02361	0.2
106.77032	0.2
125.79678	0.2
129.35776	0.2
130.73175	0.2
134.03668	0.5
135.04305	0.2
136.05191	0.6
148.05197	7.9
149.05843	0.4
149.09628	0.8
162.06743	0.4
163.07497	0.2
168.70328	0.2
169.34306	0.2
175.03928	0.2
175.07564	0.3
176.08331	0.9
177.09122	41.3
178.09471	2.1
190.09894	2.0
191.06949	0.2
191.10706	0.9
192.11473	28.4
193.11876	1.9
201.09128	0.8
203.07100	0.5
204.95695	0.2
217.08640	2.9
218.09413	7.4
219.09839	0.7
219.85860	0.2
236.10492	100.0
237.10876	7.9
237.14772	0.3
253.60004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69897	2.8
55.01754	8.6
55.43740	3.0
57.03325	9.3
58.00454	5.8
59.01253	67.9
60.76620	2.9
67.94699	3.1
69.93580	16.2
71.01252	84.7
72.99166	5.5
73.02821	37.5
75.00736	9.7
76.75086	3.2
83.01254	15.2
85.02821	50.5
87.00750	7.4
89.02304	12.9
95.01266	6.1
97.02861	3.2
99.00751	12.5
101.02319	100.0
113.02320	38.7
129.01797	5.7
134.33437	3.0
139.00449	3.1
159.02921	7.4
161.04456	35.3
178.08112	2.8
237.06134	4.1
237.09669	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	237.1492
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
50.48610	0.4
51.48624	0.4
55.01742	0.6
57.03322	18.7
57.59523	0.4
59.01249	11.8
60.23651	0.5
61.98699	0.6
69.03314	0.7
69.19783	0.4
70.46668	0.4
70.96887	1.0
70.97215	0.5
71.01248	3.2
73.02796	0.5
75.00774	0.5
78.95763	0.6
83.01272	0.8
83.04897	3.4
85.02808	1.2
87.00764	0.6
88.68831	0.4
96.95868	0.5
101.02334	2.7
109.06464	1.0
113.02330	1.1
122.03619	0.6
123.07990	0.7
129.62619	0.4
133.69118	0.6
139.11221	0.5
149.09612	0.9
153.03453	0.4
161.04495	1.1
167.10724	2.8
172.06203	0.7
177.12814	1.4
179.10655	4.7
193.12231	0.6
193.15948	2.9
195.13882	4.5
201.40082	0.4
209.15392	1.0
219.10294	0.9
219.13867	1.3
231.61211	0.5
233.38530	0.5
237.14922	100.0
238.11800	0.7
238.12683	0.6
238.15271	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	239.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30581	0.2
57.20998	0.2
57.67040	0.2
59.01253	3.8
59.96590	0.6
61.57572	0.2
61.75804	0.2
71.59282	0.3
74.98940	9.6
75.96088	0.5
75.98904	0.3
83.04890	0.4
85.02825	0.5
85.46040	0.2
86.75388	0.2
87.00771	0.5
91.02086	10.5
93.00009	7.6
99.06151	0.2
101.02319	0.2
129.57431	0.2
149.00856	6.0
150.98831	0.3
161.04482	0.7
177.12787	0.3
179.05513	2.4
188.00555	0.2
195.13835	0.3
206.99649	2.8
221.11792	2.1
222.12067	0.2
223.02779	100.0
224.02815	10.4
239.05737	1.0
239.12904	2.3
241.03841	3.0
242.04004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1284
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.09591	0.5
59.01247	5.2
71.29829	0.9
81.06966	0.5
85.02805	0.9
87.00751	0.8
95.04887	1.8
101.05958	7.2
109.06474	4.8
111.08042	5.7
122.03617	0.7
125.02347	0.6
125.09619	1.9
133.95717	0.5
139.03896	12.9
151.11066	0.5
154.06255	32.6
155.06607	1.5
161.04459	1.0
165.46985	0.6
167.14307	11.1
168.14774	0.7
179.05544	3.9
179.10683	4.5
182.05757	2.1
195.13824	100.0
196.14149	7.7
221.55568	0.6
239.12833	7.2
239.16458	16.0
240.16855	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	239.1284
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01756	2.9
57.03323	13.2
59.01240	2.9
61.27450	1.0
63.04281	0.7
67.01755	2.1
69.03316	1.0
70.10624	0.8
70.73195	1.8
70.73581	2.3
80.02529	1.5
81.03320	4.4
83.01262	4.4
83.04890	20.9
84.02039	8.1
85.02821	100.0
86.03151	2.5
87.00742	1.4
89.48080	0.8
95.04913	0.8
97.02818	4.4
97.06445	1.3
109.06458	3.9
110.03612	3.0
125.09586	2.0
141.78394	0.7
142.02605	1.7
149.09613	0.8
152.10173	0.8
155.10663	4.8
171.10194	5.6
177.12740	4.9
179.05534	1.7
193.12250	6.5
194.43013	0.9
195.13811	6.3
221.11763	47.6
222.12091	4.1
239.12836	86.7
240.13155	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	239.1284
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01749	2.7
57.03323	11.8
59.01245	6.5
60.43818	0.7
67.01749	2.5
67.88410	0.9
69.03321	1.6
69.30431	8.3
71.01261	1.0
71.04894	1.8
80.02518	1.4
81.03327	3.6
83.01250	4.4
83.04887	18.2
84.02027	6.4
85.02816	100.0
86.03168	1.9
87.00714	1.2
95.04914	1.1
96.35911	0.9
97.02837	6.0
101.02283	1.4
107.04890	0.7
108.02090	0.9
109.06459	3.2
110.03590	1.5
111.08045	0.8
116.32285	0.9
121.06452	1.1
127.11157	1.3
136.05214	1.4
142.02588	1.6
149.09657	0.8
155.10626	5.7
161.04462	1.2
171.10162	8.0
175.11278	1.3
177.12772	4.3
179.05479	4.9
193.12263	7.4
195.13847	4.2
211.13391	1.3
221.11766	36.0
222.12148	3.9
239.12836	81.8
240.13177	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	241.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	3.9
59.01251	44.6
66.91177	3.1
67.01766	36.0
68.99691	49.3
69.03332	10.8
71.01281	3.8
71.16000	4.5
71.16356	6.2
72.99178	7.6
73.02812	3.8
78.91763	4.1
93.03338	3.0
95.01294	4.0
95.04898	100.0
96.05248	4.0
101.02319	64.9
107.04891	5.6
107.08534	3.9
110.26179	3.2
111.00751	33.7
111.04395	3.5
119.04903	4.9
119.08537	14.2
121.02824	19.6
123.04406	7.8
125.50779	3.7
127.03899	63.0
127.42868	2.9
135.04366	5.4
135.08047	8.2
137.05989	3.5
139.00275	49.5
139.03893	11.8
140.00603	3.6
163.07570	5.4
165.05389	3.4
167.06960	2.9
175.12126	3.2
181.08595	13.8
195.66466	3.1
197.11821	3.6
199.09679	92.5
200.09991	2.9
241.03404	3.3
241.07222	3.9
241.10724	7.2
241.21700	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	241.1078
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
50.86183	0.9
53.81637	0.9
54.24799	1.0
61.89474	1.0
63.17027	0.8
70.42022	1.6
71.01208	1.3
73.02809	6.9
79.55822	1.1
88.79927	0.9
110.82309	0.9
112.92495	1.0
145.06613	1.0
151.11165	1.9
169.12250	100.0
170.12560	5.4
179.10622	1.2
197.11757	18.7
223.09775	2.3
241.10765	34.4
241.21561	1.8
242.11139	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	241.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.4
59.01244	1.0
67.76465	0.3
68.99677	0.3
70.72580	1.2
71.01228	0.8
71.36760	0.3
73.02803	2.1
83.04902	1.0
87.00748	1.1
93.03374	0.4
97.02864	0.3
101.02315	0.8
109.53053	0.4
123.08054	0.4
125.09640	0.4
131.06065	0.4
151.11238	1.8
153.12833	0.8
156.05527	0.5
157.04959	0.4
161.09642	0.5
169.06601	0.9
169.12257	100.0
170.12601	5.1
179.10706	1.0
179.14177	0.5
195.10217	0.5
197.11763	20.2
198.12108	1.3
213.11232	0.8
223.09799	2.0
223.13377	0.5
241.10773	38.1
241.14651	1.2
241.17879	0.8
241.21484	0.8
242.11154	2.6
242.13469	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	241.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76989	0.4
57.03316	1.1
59.01245	2.2
65.01323	0.9
65.84464	0.4
65.99700	0.4
69.03322	2.0
71.01251	0.5
71.04890	4.3
72.99162	0.6
73.02816	0.9
78.86247	0.4
83.04929	0.7
84.02032	0.5
84.70648	0.4
87.00732	0.6
97.06457	0.6
98.19801	1.6
99.00735	0.6
101.02343	0.5
103.06519	0.4
103.56928	0.4
106.03988	0.7
123.08056	1.6
125.09612	1.8
127.03915	0.8
130.83505	0.5
137.09546	0.6
151.11169	0.8
153.12779	3.4
161.09647	1.7
169.12270	1.1
171.06731	0.6
177.09113	0.7
179.10680	4.6
197.11763	100.0
198.12073	5.5
199.09845	0.6
205.08826	0.5
214.07321	0.9
223.09692	7.6
224.10229	0.6
241.05414	2.0
241.10780	50.0
241.14223	2.3
241.17950	1.3
241.21690	1.8
242.11087	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	241.1077
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.29103	0.4
55.01749	0.6
57.03323	1.1
59.01260	0.6
69.03331	2.5
71.01255	1.0
71.04886	5.0
74.79306	0.4
83.04892	1.0
91.94087	0.4
97.06476	0.5
98.20578	0.8
123.08048	0.9
125.09592	2.3
137.09613	0.7
151.11192	1.5
153.12779	2.9
161.09604	2.3
163.07614	0.4
179.10698	7.5
180.10915	0.5
197.06001	2.9
197.11755	100.0
198.12102	6.9
215.89804	0.4
223.09666	4.0
224.09998	0.5
229.84055	0.5
239.78204	0.4
241.10768	78.0
242.11095	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	241.1077
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
51.59660	1.0
57.03314	2.4
59.01250	49.0
59.24820	0.9
60.01541	0.9
67.01764	2.3
68.99688	5.3
69.03320	5.1
71.01243	1.2
71.11063	2.4
72.99174	5.6
73.02815	10.1
78.91737	1.2
83.04933	1.3
90.46004	1.0
93.03341	1.4
95.04885	2.4
101.02306	9.1
105.06974	1.1
107.04874	4.0
107.08544	14.7
109.02825	3.4
111.04390	2.2
119.04902	3.3
119.08539	2.2
121.02829	4.1
123.08030	2.5
127.03883	4.4
135.04387	4.0
137.05966	1.3
139.00325	1.1
139.03876	2.3
149.05981	1.0
151.07556	2.5
153.09058	2.0
153.12741	2.1
163.07561	1.3
167.07007	3.2
169.08589	1.7
169.12236	3.4
179.07033	3.3
179.10660	1.7
181.08612	14.0
197.09837	1.9
197.11752	10.8
199.09680	100.0
200.09978	4.9
241.07101	4.2
241.10727	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	243.0619
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01225	1.2
66.03357	11.1
68.01275	2.6
70.46644	2.4
71.01254	2.1
82.02857	28.9
83.01270	1.0
83.03196	1.3
84.04419	0.8
87.00766	0.9
94.02865	2.2
96.04427	1.9
96.16772	0.7
108.04434	2.3
110.02360	100.0
111.01897	6.8
111.02722	2.5
117.01817	1.1
122.02368	8.3
124.03932	3.5
132.02882	1.4
138.01910	0.8
140.03438	9.9
152.03430	18.6
153.02936	11.7
165.49879	0.8
167.70683	0.7
182.04485	1.6
182.97948	0.8
190.52220	0.9
200.05582	37.1
201.05867	2.0
243.06183	30.6
243.19510	0.9
244.06473	1.7
244.12814	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	243.1234
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
53.35588	4.9
59.01241	19.7
71.01254	8.4
71.30263	11.5
73.02804	11.6
81.03323	6.5
83.04894	6.0
96.47537	4.6
99.00761	5.6
109.06476	44.3
110.02376	25.0
111.79897	4.8
125.09615	10.4
127.11153	9.4
135.08017	5.9
137.09581	10.4
163.11183	20.6
171.10127	20.2
181.12221	13.4
197.11844	6.9
199.09671	92.1
199.11368	9.1
200.05530	9.1
207.10202	74.8
215.12814	52.6
225.11238	100.0
226.11476	7.7
243.02710	6.7
243.12337	43.9
243.15881	7.1
243.19672	8.9
259.06052	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	39.2
61.48542	9.0
66.03342	14.4
71.01251	15.8
71.58280	12.6
73.02806	18.8
83.50437	10.1
88.54021	10.2
93.03322	12.3
97.02824	12.7
106.50164	10.2
109.06452	64.7
110.02380	51.0
121.06446	11.0
125.05900	9.1
125.09544	13.7
130.29373	10.9
135.08054	11.0
137.09605	15.1
152.03334	11.4
155.34576	10.9
162.83801	13.7
163.11192	42.9
171.10158	41.3
176.75938	11.4
181.12270	23.0
185.11827	13.4
199.09698	98.2
199.13309	10.8
200.05629	20.6
205.88715	10.0
207.10214	100.0
215.12872	66.6
215.14586	14.3
225.11288	99.9
226.11623	10.5
243.02731	11.8
243.06407	15.1
243.12349	77.3
243.15866	23.5
243.19670	21.8
251.86490	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	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	5.1
58.00489	1.4
59.01250	43.3
61.34662	1.1
62.31766	1.1
66.61034	1.2
67.46817	1.3
69.03336	1.5
70.94695	2.9
71.01219	2.5
73.02816	5.8
73.82786	1.1
74.36560	1.0
83.04940	1.9
97.06466	13.6
110.02351	2.7
113.66595	1.1
120.05467	1.2
123.08039	8.6
125.09612	100.0
126.09955	3.5
127.11165	2.4
137.09598	1.8
139.11234	1.6
152.03471	1.2
153.01698	1.3
155.10709	3.1
163.11160	1.7
165.09143	2.1
169.08635	2.8
171.10121	6.5
181.12268	9.3
183.10260	1.6
185.11792	4.8
187.09689	10.2
197.11807	1.7
199.09700	2.7
200.05539	1.3
201.11255	64.9
202.11554	3.2
207.10182	3.4
214.75607	1.5
215.12846	18.1
225.11261	28.8
225.14665	1.4
226.11661	1.7
243.02776	2.2
243.06311	2.7
243.10117	2.1
243.12344	20.9
243.15964	7.1
243.19676	1.5
244.12846	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	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24170	2.0
57.03308	4.3
59.01246	43.6
62.46312	1.9
63.58281	1.8
65.11200	2.2
66.03333	2.1
71.01257	4.4
71.58395	4.2
73.02813	8.0
76.52985	2.0
77.72677	2.3
97.06445	14.4
106.16061	2.4
110.02351	6.9
123.08021	8.3
125.09605	100.0
126.09970	2.7
127.11147	3.9
130.61966	2.1
169.08531	2.7
171.10167	10.0
181.12268	10.3
183.10185	2.5
183.13820	4.6
185.11650	4.6
187.09651	6.5
189.05438	4.1
197.11772	4.2
198.80278	2.2
199.09731	6.0
199.13277	2.1
200.05582	2.5
201.11244	65.6
202.11638	6.0
207.10158	9.0
211.13347	38.5
215.12816	18.8
225.11250	32.6
243.02655	3.0
243.06432	5.6
243.10159	17.9
243.12309	29.6
243.15753	2.7
247.29099	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	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74891	0.5
57.03316	5.8
59.01247	39.4
60.01570	0.6
68.99694	0.6
69.03325	1.3
70.01378	1.9
70.67537	0.6
71.01252	2.1
71.04868	1.0
73.02805	6.2
81.03339	0.6
83.04892	1.1
95.04904	1.3
96.95935	0.6
97.02798	0.8
97.06467	12.4
98.06798	0.7
109.06470	1.1
110.02353	2.0
111.00713	0.7
123.08044	7.2
125.09607	100.0
126.09937	4.3
127.11175	5.4
137.09615	1.3
139.11163	1.0
153.09126	0.9
155.10696	2.2
163.11195	0.6
165.09116	2.2
169.08662	3.3
169.12225	0.6
171.10162	6.4
179.10721	0.7
181.12253	7.2
183.10115	2.6
185.11740	3.8
187.09639	11.4
193.12260	0.6
197.11809	1.5
199.09726	1.8
199.13196	0.7
200.05533	1.0
201.11244	69.2
202.11641	2.8
207.10193	3.8
211.13342	1.0
215.12823	14.8
225.11261	29.9
225.14877	1.5
226.11549	1.4
243.02838	0.8
243.06505	1.3
243.12349	14.9
243.15990	9.2
244.12810	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	243.1234
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03315	5.1
59.01248	38.4
69.03341	1.7
69.55699	10.0
71.01253	2.8
72.94746	1.7
73.02819	7.2
80.02538	1.7
83.04899	1.6
95.04909	1.5
97.06473	13.0
98.20469	2.9
110.02386	3.7
123.08041	4.3
125.09608	100.0
126.09914	2.9
127.11166	5.3
155.10661	2.4
169.08603	2.6
171.10197	7.6
173.93007	1.6
181.12251	9.8
183.10237	3.3
185.11786	2.9
187.09662	8.5
197.11810	3.0
199.09677	2.3
199.13391	1.8
200.05614	1.8
201.11252	65.7
202.11560	2.4
207.10243	4.2
215.12825	19.3
225.11255	32.5
226.11627	2.7
243.02821	2.0
243.06509	2.5
243.10138	2.3
243.12297	20.1
243.15932	3.9
243.19740	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	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.7
58.00471	1.2
59.01249	41.7
64.30866	0.6
67.85651	0.5
69.03321	0.5
70.47344	1.8
71.01254	2.3
73.02814	4.8
83.02354	0.6
83.04889	1.9
95.04916	1.2
97.06460	13.2
98.12678	0.7
109.06464	0.6
110.02348	1.6
114.91860	0.6
123.08042	7.5
125.09608	100.0
126.09929	4.6
127.11167	5.3
137.09616	1.9
139.07562	0.7
139.11163	1.6
141.07416	0.5
155.10683	1.8
163.11201	1.6
165.09129	2.7
169.08592	2.7
171.10187	6.1
181.12268	5.5
183.10172	2.7
185.11723	3.5
187.09668	8.6
197.11774	1.3
199.09711	2.2
199.13388	0.7
201.11249	71.5
202.11603	3.7
207.10196	2.8
213.11191	0.6
215.12811	14.7
216.13174	1.4
225.11259	30.2
226.11630	1.8
243.12331	14.5
243.16023	1.5
244.12595	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	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.4
59.01249	64.0
60.25128	0.9
69.03307	2.9
69.43140	2.5
69.43546	5.6
71.04865	1.1
72.99171	11.8
73.02827	7.9
73.76308	1.0
83.04895	2.2
85.06446	1.8
87.91154	1.0
107.08512	4.4
108.26536	1.0
109.06413	1.4
111.04419	1.2
115.43051	1.0
121.10141	2.0
122.29401	1.0
125.09573	5.0
139.11156	4.4
155.10660	5.4
171.10182	3.0
181.12216	2.9
183.10181	65.1
184.10512	3.5
199.09676	1.9
201.11250	100.0
202.11583	5.7
207.10130	2.8
215.12782	2.6
225.11234	9.6
243.12305	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	243.1234
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01748	2.2
57.03318	0.5
59.01237	1.5
60.26734	0.4
61.29432	0.5
69.56639	1.9
69.57059	2.1
69.81334	0.5
71.01258	0.9
71.04875	0.7
73.02815	100.0
74.03142	1.3
98.19820	1.1
99.00764	2.0
117.01814	0.9
119.68665	0.5
125.09608	14.6
137.99651	0.5
163.11188	1.3
169.08585	7.8
171.10191	1.0
181.12218	5.5
183.81062	0.6
199.09740	0.6
199.13333	15.2
200.13733	1.3
201.11189	1.3
207.10197	5.7
225.11281	8.7
226.11559	0.7
243.12341	30.5
244.12686	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	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05580	0.5
57.03326	0.7
58.91156	0.5
59.01254	4.1
62.82840	0.5
69.62466	3.6
71.01249	1.3
71.04879	2.2
73.02825	0.5
97.02824	3.2
97.06461	1.0
98.38106	0.5
99.00753	10.5
99.01343	0.9
109.06458	1.1
110.03590	0.8
125.09612	4.8
127.11176	3.0
135.08031	0.6
136.05132	0.6
139.11131	1.2
142.02649	0.9
153.12770	1.1
155.14313	0.9
161.09619	0.5
163.11200	5.2
171.10143	1.1
181.12253	17.0
182.12639	0.9
183.10168	2.1
197.11729	2.5
199.13329	38.5
200.13712	3.0
201.11261	1.3
207.10197	28.9
208.10468	2.3
215.12772	0.8
225.11264	59.8
226.11499	3.6
243.12338	100.0
244.12680	6.7
253.26184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1234
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01226	1.0
69.47887	1.1
69.48296	2.7
71.04902	2.3
73.17881	0.4
83.04868	0.9
87.84087	0.4
97.02830	3.5
97.06429	1.3
99.00756	15.0
100.01083	0.5
109.06448	1.0
110.03596	0.5
123.08048	0.5
125.09604	5.5
135.08096	0.7
136.05217	0.7
142.02583	1.1
155.14305	1.2
163.11182	4.9
171.10133	1.1
179.10612	0.5
181.12259	16.4
182.12532	1.0
197.11786	0.7
199.13324	10.3
200.13708	0.8
207.10199	31.7
208.10503	2.5
215.12836	1.4
225.11269	68.5
226.11604	4.6
243.12347	100.0
244.12671	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	243.1962
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
50.64688	0.4
54.59783	0.5
55.83232	0.4
59.01226	0.6
60.26741	0.4
68.97859	0.5
69.82426	0.4
82.02796	0.6
101.02220	0.4
110.02338	1.5
152.45990	0.4
167.14325	0.4
168.90442	0.5
169.15863	0.9
195.17493	4.0
197.19029	69.0
198.19388	5.8
215.52777	0.4
225.11320	0.7
225.18539	1.7
229.82953	0.5
241.18071	0.6
243.19615	100.0
244.19930	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	244.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62261	4.5
58.02855	6.3
59.01247	35.5
65.99715	22.4
67.01767	5.1
68.01283	14.3
68.99681	5.0
69.03336	5.6
71.01241	39.2
72.99178	20.6
73.02814	18.5
75.00742	7.5
78.95764	9.8
82.02839	7.1
83.01244	10.0
85.02818	14.6
87.00768	44.7
89.02324	14.5
93.03326	6.1
94.02841	8.9
95.01251	18.0
96.00790	19.6
97.02847	11.6
98.02376	15.1
99.00730	14.6
101.02331	34.1
103.00259	8.1
109.02827	28.7
110.02351	20.9
111.00755	10.4
112.03912	6.0
113.02319	10.7
114.01861	5.6
115.00237	12.2
116.06992	5.6
117.01786	6.2
119.03391	27.2
120.04460	10.2
120.15678	5.9
122.02263	7.0
123.00759	18.0
124.01515	16.4
124.03812	5.6
125.02367	6.6
126.01856	16.4
127.00223	10.4
127.03886	5.4
129.01808	4.9
136.03952	10.5
137.02353	76.9
139.00240	12.1
140.03395	11.5
141.01846	27.6
146.02397	13.0
150.92267	5.4
152.03494	5.6
155.03387	24.9
164.03448	87.2
165.03763	5.8
171.02808	7.1
181.01291	6.7
182.04512	37.6
183.99661	4.9
199.02400	10.2
199.07112	9.9
201.04007	5.7
208.02411	13.2
209.06583	11.5
217.03391	10.4
226.03516	75.1
244.02151	6.6
244.04608	100.0
244.08212	19.8
245.04532	11.4
245.07816	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	245.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54524	0.3
52.94046	0.4
57.03316	0.9
59.01247	44.8
69.99385	1.9
70.13975	0.4
71.04880	1.1
78.60750	0.4
89.11625	0.4
127.11169	4.2
128.11577	0.5
139.11151	1.4
155.10652	2.7
155.99277	0.4
157.12250	18.7
158.12575	0.8
171.10132	1.0
185.11771	14.7
186.12094	0.5
189.98177	0.3
201.11246	0.7
203.12823	100.0
204.13152	5.8
209.11763	0.7
245.08334	0.4
245.13910	5.6
246.14198	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	247.1336
Annotation	Lyratol D
Peak:m/z	Relative Intensity
51.55882	0.5
54.43655	0.6
57.03327	1.2
59.01252	0.9
61.96224	0.5
68.84363	0.6
72.99161	1.5
77.78258	0.5
79.05415	1.3
81.03319	3.7
93.03361	1.2
95.08518	0.7
97.06468	4.6
100.85324	0.6
105.06944	0.6
107.04921	0.8
119.08540	2.4
121.06474	12.5
121.10095	3.4
137.09616	91.2
138.09978	4.0
147.01929	0.6
147.08054	39.9
148.08412	2.7
158.03609	0.9
159.04431	0.6
163.03644	0.6
171.08026	1.0
173.04558	1.0
185.13264	0.5
186.95624	0.7
187.11209	12.4
188.11633	1.3
201.12778	0.8
203.14349	60.4
204.14709	4.9
209.77679	0.5
247.02353	1.1
247.13359	100.0
248.13715	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	247.1699
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
50.20343	0.1
59.01217	0.1
68.61894	0.1
69.99144	0.4
69.99563	0.2
98.06940	0.1
107.99705	0.1
146.79077	0.1
150.85413	0.1
154.85326	0.1
179.07106	0.1
184.00113	0.3
205.15976	0.2
220.16985	1.2
231.13931	0.5
247.16995	100.0
248.08130	0.2
248.17332	11.2
249.21017	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	248.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92099	0.8
53.40008	1.0
55.42837	0.8
59.01244	0.8
61.95821	0.9
65.00191	1.2
71.58584	1.3
93.03357	2.1
95.01315	0.9
105.03337	1.2
109.02814	1.0
121.02818	11.5
124.01580	1.8
133.02774	1.1
136.01567	6.1
139.03883	2.0
144.04427	1.7
145.02837	3.8
146.02385	1.1
147.00783	1.9
147.04469	1.0
148.01544	1.9
149.01164	0.6
149.02333	18.5
152.01083	1.5
160.03922	2.5
161.02338	3.9
162.01857	3.4
162.03116	12.5
164.01070	8.0
165.01718	1.7
167.03387	1.9
172.03946	3.9
175.00333	1.5
176.01031	2.1
176.03371	2.0
176.04727	1.2
177.01869	3.0
177.05486	5.7
179.03400	3.0
188.03320	1.2
189.01837	6.0
189.04208	6.3
190.01292	5.0
191.02174	4.2
192.00578	14.1
193.01331	15.0
204.02887	1.4
204.06503	4.4
205.10678	1.0
206.02399	1.2
206.04544	2.9
207.02885	7.2
215.02190	14.1
216.02960	10.3
218.00882	36.3
219.01086	1.2
220.06105	2.5
221.04456	1.1
230.04495	7.2
232.02405	1.1
233.03236	100.0
234.03610	6.0
248.05592	62.8
249.05870	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	249.1492
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
50.93349	2.0
57.03321	3.3
57.60516	1.8
59.01234	7.1
69.03323	38.5
71.06711	4.0
83.04856	4.0
92.22842	1.8
95.04891	4.4
97.06459	3.2
101.06342	2.2
111.08014	2.1
134.07291	2.9
149.13252	3.7
158.33945	1.8
161.13173	2.1
164.98421	1.7
167.10687	5.7
187.14841	4.8
193.12221	9.5
203.14197	2.6
205.12320	11.3
205.14270	2.3
205.15877	15.6
206.14462	1.9
221.15419	17.1
231.13831	32.8
232.14206	3.1
249.14931	100.0
250.15211	10.4
260.33121	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	249.1491
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
50.55045	0.4
54.73211	0.4
59.01243	0.5
77.24396	0.4
77.91031	0.4
78.15909	0.5
130.94182	0.5
189.12767	1.9
205.15904	57.9
206.16222	4.6
207.96704	0.5
220.14456	0.5
220.66782	0.4
249.14923	100.0
250.14555	19.8
257.27646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1856
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.88882	0.8
54.17498	0.7
54.81773	0.8
55.20949	0.8
59.01245	4.2
62.87798	0.7
67.54765	0.8
68.41985	0.9
71.01231	1.1
71.14491	2.0
80.48221	0.8
93.59866	0.8
146.72038	0.9
148.18396	0.9
149.84117	1.0
177.01772	0.9
205.15878	4.8
205.19359	0.9
231.17601	1.3
249.15007	11.6
249.18559	100.0
250.14473	22.2
250.18753	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	251.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01385	0.3
53.49590	0.3
55.68670	0.4
56.36226	0.3
57.03327	4.1
59.01251	0.7
65.01325	0.5
67.01747	1.3
69.03319	1.4
71.01247	1.2
71.04892	0.6
71.58678	0.4
73.02839	0.4
80.02560	0.4
81.03326	96.0
81.93637	0.4
82.03663	1.6
83.04904	0.8
85.02834	0.5
88.85896	0.4
89.02335	0.4
93.03344	0.4
95.01279	0.6
95.04900	1.4
96.95874	0.9
97.06466	12.5
101.02309	0.6
108.02050	1.6
109.06487	0.5
110.03602	1.1
113.02345	0.4
116.02394	0.4
123.04374	0.4
123.08048	7.8
125.09608	100.0
126.09954	4.7
129.87663	0.4
153.55527	0.4
169.08609	3.6
187.09691	3.3
189.12772	1.8
207.13826	1.7
223.13356	1.0
233.08025	0.7
233.11783	4.3
251.12845	98.7
252.13190	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	251.1648
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03321	7.4
59.01242	0.8
59.98398	0.7
69.03326	9.7
71.01245	0.8
71.04897	3.7
73.02820	0.4
78.70590	0.3
79.95599	2.2
80.25795	0.3
81.03346	0.3
81.84537	0.3
83.04887	0.8
85.02808	0.8
85.06464	1.7
99.04391	15.5
101.02339	0.7
122.03598	0.6
123.57139	0.3
136.88426	0.3
137.09578	0.5
141.72751	0.3
147.86800	0.3
179.14296	1.1
181.12201	1.1
190.12411	0.3
191.14326	1.4
207.13902	0.4
209.11813	1.9
229.20314	0.4
233.05824	0.3
233.11719	0.6
251.16493	100.0
252.07280	1.1
252.16832	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	251.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.5
59.01245	4.3
59.35220	0.5
69.03296	0.6
69.88804	2.8
71.01242	2.4
71.04890	0.5
73.02817	0.6
77.43759	0.4
83.04899	0.8
85.02831	0.6
93.69376	0.5
93.94704	0.5
95.01240	0.5
97.06483	3.6
99.08030	18.5
100.08380	1.2
101.02316	1.5
106.04072	0.6
107.04932	0.7
107.08528	1.1
113.02346	0.6
123.08081	0.8
125.05940	0.6
125.09607	12.6
129.76778	0.5
139.11208	1.1
141.09047	0.5
142.23769	0.5
153.09143	0.6
161.04428	0.7
161.77039	0.5
189.16441	1.4
191.14389	0.7
195.14037	0.5
205.15892	1.0
207.13643	0.7
207.17448	8.0
208.17900	0.6
215.14360	1.7
223.16959	24.7
224.17311	1.9
233.15411	14.1
234.15744	1.4
251.16493	100.0
252.16801	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	251.1649
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
51.30948	0.5
54.09830	0.4
55.85687	0.5
57.03321	7.3
65.93758	0.5
66.62065	0.4
69.03322	9.5
71.04881	4.3
71.19091	0.9
85.02832	0.6
85.06454	1.9
99.04385	15.1
118.85835	0.5
179.14366	0.8
181.12170	1.1
191.14215	1.0
217.09145	0.5
233.11835	0.5
251.16487	100.0
252.16838	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	251.165
Annotation	Cedrolic acid
Peak:m/z	Relative Intensity
51.40331	2.4
57.03321	100.0
58.89072	2.4
59.01249	12.1
60.95846	2.2
61.08284	2.2
67.13590	2.3
68.43668	2.2
68.76745	2.1
71.01250	10.5
71.58170	3.0
73.02796	3.3
81.03316	3.0
83.04893	18.3
85.02826	6.1
91.13039	2.7
96.95833	3.8
99.04402	8.8
101.02328	8.1
105.59373	2.4
113.02323	4.1
123.07990	6.1
125.09593	3.3
150.61211	2.6
189.16409	65.2
190.16705	5.9
191.14297	8.5
193.08534	3.9
207.13885	4.8
223.13391	3.8
233.11790	9.3
251.12825	14.7
251.16605	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2013
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
52.49243	0.6
59.01237	2.1
63.15908	0.7
71.01243	0.9
87.53779	0.6
92.22756	0.6
98.20618	1.3
158.08083	0.6
208.59735	0.6
233.19026	1.6
242.09076	0.6
251.20119	100.0
252.20468	8.4
267.83347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
57.03316	0.6
58.19756	0.2
58.99472	19.8
59.01247	7.0
69.58315	1.7
71.01249	6.2
71.12589	0.2
72.99164	0.2
73.02821	1.2
74.98969	0.5
83.01264	0.8
85.02816	2.3
86.07159	0.3
87.00220	0.5
87.00748	9.0
89.02316	4.8
96.95879	0.5
99.00808	0.4
101.02324	1.0
102.98468	100.0
103.98885	1.2
106.03988	0.3
113.02299	0.8
120.99583	1.6
131.03394	1.9
137.06020	0.3
149.04465	0.6
175.06070	0.5
217.18233	0.2
219.05058	1.6
222.30244	0.2
253.03831	14.7
253.14423	0.5
254.04163	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	253.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.4
58.99474	22.3
59.01245	7.3
59.77890	0.3
69.27651	1.0
69.28061	2.4
71.01253	7.1
72.99189	0.3
73.02808	1.1
74.98980	0.4
83.01257	0.5
84.56056	0.4
85.02827	1.8
87.00748	9.7
87.01270	0.7
89.02301	4.6
93.00946	0.3
93.03346	0.4
96.95878	0.5
98.20634	0.5
101.02319	0.8
102.98470	100.0
103.98807	1.4
108.92611	0.3
113.02329	0.8
120.99561	1.6
131.03401	2.4
131.14992	0.3
149.04388	0.4
219.05005	1.4
253.03833	13.7
253.14517	0.5
254.04105	0.9
273.62219	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	253.2169
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
53.74126	0.2
59.01255	0.5
70.03271	0.5
70.03657	0.7
82.86649	0.3
116.57663	0.2
164.10622	0.2
200.37125	0.3
253.21695	100.0
254.22044	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	253.217
Annotation	Hexadecenoic acid
Peak:m/z	Relative Intensity
78.84635	37.6
88.85090	35.8
97.78250	37.8
98.19734	65.4
104.06226	40.6
152.44228	34.7
177.03142	41.0
246.85405	41.2
253.21733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.066
Annotation	3,4'-Dihydroxy-2-stilbenecarboxylic acid
Peak:m/z	Relative Intensity
59.18681	0.2
71.19150	0.4
71.19479	0.4
82.84825	0.2
91.01762	0.4
91.08050	0.3
93.03323	1.7
108.02043	0.4
115.05305	0.2
117.03332	0.5
119.04925	0.9
121.02833	0.9
143.04906	4.7
144.05299	0.3
167.04919	0.8
168.05673	0.3
169.06490	4.7
181.06497	1.0
182.07222	0.5
183.08078	1.9
193.06496	0.7
195.04489	0.5
196.05214	1.2
208.05302	0.6
209.05998	4.9
210.06750	2.6
211.07570	100.0
212.07904	8.2
255.06596	25.7
255.23260	8.8
256.06909	2.3
256.23709	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	255.066
Annotation	3,4'-Dihydroxy-2-stilbenecarboxylic acid
Peak:m/z	Relative Intensity
50.64122	0.4
57.03302	0.4
58.21072	0.3
70.10801	1.5
76.66853	0.4
83.01250	1.9
85.02818	0.4
93.03335	4.2
97.06503	0.4
98.19891	0.5
103.89114	0.4
112.48892	0.4
115.05372	0.5
117.03320	0.8
119.04894	0.9
121.02814	1.2
125.09592	0.8
143.04922	4.5
144.05255	0.4
149.02319	0.5
151.11140	0.6
156.05684	0.4
167.03676	0.4
167.04883	2.2
168.05632	0.7
169.05139	0.8
169.06496	9.6
170.06807	0.7
171.04385	0.9
171.10155	1.6
180.05772	0.5
181.06499	1.7
182.07207	0.7
183.08119	2.2
183.13811	0.5
193.06430	2.7
193.12268	3.0
195.04547	0.5
195.96780	0.3
196.05220	9.0
197.05656	0.6
208.05257	1.7
209.06000	16.8
209.11813	0.6
210.06674	2.7
211.07571	100.0
211.13161	4.6
212.07904	6.5
237.05508	5.1
237.11189	0.9
237.15031	0.5
238.05865	0.5
239.58415	0.5
255.06598	34.5
255.12341	3.1
255.15895	1.3
255.23256	47.9
256.06998	3.4
256.23627	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	256.9759
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.3
69.74320	1.2
69.74734	0.7
85.02813	0.7
93.03318	1.4
105.03333	0.8
112.59420	0.3
121.02815	2.3
123.04378	1.7
127.03878	0.5
132.02084	0.5
133.02878	2.6
149.02322	2.1
168.10222	1.2
177.01840	100.0
178.02200	4.5
196.09749	0.5
212.09212	0.8
256.23648	2.5
256.97589	8.2
257.10269	0.4
257.23984	0.5
257.97858	0.7
258.09943	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	257.0817
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
52.04199	0.4
53.50191	0.4
59.01242	0.5
61.36818	0.4
65.03818	1.5
71.14144	1.1
79.05415	0.5
81.03337	0.9
83.04890	1.2
85.06487	0.6
93.03332	10.3
95.01270	0.8
95.04872	1.2
106.04117	21.3
107.04905	50.4
108.02047	11.6
108.05231	1.7
109.02818	1.7
111.04401	0.7
115.07523	0.7
119.04900	0.7
121.02842	11.3
138.03114	3.4
151.36035	0.5
167.63637	0.4
171.07999	2.1
211.07608	0.7
213.09138	71.9
214.09445	5.1
239.12851	0.5
256.23624	3.3
257.08160	100.0
257.17355	4.4
257.23840	1.6
258.08499	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	257.2119
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
55.01757	0.5
59.01220	0.4
72.50742	0.4
81.03394	0.5
84.52284	0.3
112.67831	0.3
115.44953	0.3
168.36923	0.3
183.17435	0.8
193.41154	0.4
207.17505	0.8
209.19052	4.3
211.20602	65.6
212.20937	5.0
221.84178	0.6
239.20085	1.8
255.09059	0.4
255.19696	0.4
257.21188	100.0
258.21530	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	259.0222
Annotation	L-Tagatose 6-phosphate
Peak:m/z	Relative Intensity
52.44267	1.7
60.16238	1.6
69.38102	14.6
71.01247	2.0
71.96346	1.6
72.99166	2.1
76.95151	1.5
78.95775	100.0
79.62908	1.3
86.96653	1.4
87.00755	3.6
87.05510	1.9
96.96838	54.2
98.19835	3.1
106.70822	1.7
113.61413	1.5
138.97937	2.4
142.96553	1.9
153.01894	2.4
180.02954	1.6
259.02194	17.1
259.05090	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	259.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07475	0.6
57.03312	0.6
59.01245	18.9
69.63089	2.5
71.01256	0.5
72.97513	0.5
73.02816	0.6
78.85455	0.5
98.20558	0.6
111.04443	0.5
125.09624	0.9
127.11156	1.3
137.09628	9.1
138.10017	0.7
153.09082	0.6
155.10670	100.0
156.11000	4.7
171.10164	25.1
172.05257	0.5
172.10574	1.4
181.08632	1.6
197.11751	0.8
199.09679	33.7
200.10031	1.9
209.11787	0.8
215.12823	1.6
217.10741	90.1
218.11081	4.2
259.09399	1.1
259.11865	12.9
259.14264	0.7
260.12238	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	259.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91316	2.1
70.26694	6.8
83.04866	4.0
84.02028	4.9
135.04468	3.0
163.11171	4.4
176.03906	2.8
209.11761	100.0
210.12080	7.2
227.12830	12.4
259.36572	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	261.134
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
57.03316	3.6
59.01245	1.2
69.03331	0.4
69.78315	2.2
71.01265	0.4
74.47458	0.3
83.04894	0.6
91.03902	0.7
95.04897	0.9
97.06461	11.7
105.13091	0.4
123.08045	5.7
125.09606	100.0
126.09964	2.6
143.10670	1.1
155.08157	0.5
169.08578	3.5
187.09674	83.3
188.10036	2.9
218.41235	0.4
219.12332	0.6
222.91025	0.4
227.06752	0.5
261.13416	32.2
262.13800	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	263.1651
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
51.55600	0.5
59.01247	24.6
63.40374	0.5
69.49873	4.1
71.01235	1.9
73.02804	0.7
80.02572	1.0
83.00709	0.5
83.04882	0.5
85.02811	1.2
93.03349	0.9
95.04929	0.7
97.06474	1.3
98.19630	0.6
101.02307	1.5
109.06475	0.7
113.02303	1.6
119.04791	0.6
120.05643	0.6
123.07976	0.6
142.42300	0.5
147.08034	0.8
148.08865	4.0
149.09682	0.8
151.11177	2.0
163.11185	6.2
165.12752	33.6
166.13091	1.7
175.11174	0.6
189.12738	3.0
191.12714	1.2
191.14336	11.3
192.14667	1.2
217.15904	1.0
219.14081	0.8
219.17505	12.2
220.17758	0.7
227.14342	1.1
245.11896	0.5
245.15457	5.0
263.16492	100.0
264.16827	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	263.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78165	0.6
59.01247	3.8
69.61893	1.1
69.62305	2.7
70.36013	0.5
71.01257	2.6
74.67676	0.7
85.02805	1.0
87.00652	0.5
94.91756	0.5
95.01221	0.6
99.00702	0.5
101.02354	1.1
113.02334	0.8
219.21062	1.1
245.19066	0.8
263.20129	100.0
264.20474	8.6
277.87241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2013
Annotation	KDC 165
Peak:m/z	Relative Intensity
57.15998	0.4
59.01247	2.6
65.71280	0.4
70.97695	1.1
71.01247	2.1
73.02816	0.7
80.03446	0.4
80.54308	0.5
80.62819	0.5
83.04914	0.6
85.02798	0.8
90.51156	0.4
92.73027	0.4
101.02312	0.8
101.05927	0.7
102.96040	0.4
115.72854	0.4
122.84280	0.5
138.60593	0.4
161.04448	0.5
219.21127	0.8
245.19089	0.5
250.22824	0.4
263.20129	100.0
264.20517	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.1
58.00481	1.9
59.01249	55.8
60.00037	1.3
60.33805	1.3
71.01250	30.3
71.57430	1.3
72.99207	1.7
75.00754	5.0
83.01266	2.9
84.30074	1.3
85.02823	27.2
87.00764	4.1
89.02316	33.2
95.01286	3.0
101.02322	15.4
103.03890	33.0
113.02321	11.8
119.03381	12.7
120.03757	1.6
131.03384	1.6
133.05058	2.0
135.04764	6.6
161.42239	1.3
179.05539	2.8
191.05492	10.0
265.09286	100.0
266.09589	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	265.1443
Annotation	Lejeuneapinguisanolide
Peak:m/z	Relative Intensity
54.74408	0.5
55.28894	0.5
57.03321	10.3
59.01244	3.9
65.01286	0.8
70.04350	2.2
71.01235	1.0
77.26147	0.6
80.96361	1.9
81.03324	2.3
83.04890	1.7
85.02814	0.9
92.47615	0.6
93.03343	1.1
95.01277	0.6
95.04895	46.9
96.05240	1.1
96.95878	0.6
97.02823	1.0
97.06464	4.8
98.19846	0.7
101.02327	0.9
109.06472	8.2
112.63046	0.6
113.02277	1.0
121.02918	0.6
121.06499	0.7
123.08030	2.7
125.06024	0.7
125.09600	18.1
126.09940	1.1
135.04408	0.6
135.08026	1.0
149.09587	1.0
159.75879	0.6
163.11186	7.7
179.14320	8.9
183.10213	1.0
185.11717	4.0
187.09697	0.7
203.14372	1.3
205.12221	0.9
207.10172	8.7
213.23024	0.6
221.15416	1.3
223.13332	100.0
224.13664	6.9
233.11720	0.6
247.13382	3.7
265.14429	50.1
265.17975	8.9
266.14825	3.6
266.17764	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	265.1805
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
57.03325	9.7
58.82060	0.8
59.01244	10.3
71.01234	2.8
71.58778	1.0
71.59190	1.7
71.97667	0.9
73.80382	0.8
74.27354	0.9
74.96703	0.8
79.66083	0.9
83.04896	1.7
84.69488	0.8
85.02810	1.0
96.12082	0.9
96.95882	8.8
97.06465	3.9
101.02288	1.0
113.09601	48.2
125.09585	1.8
127.11213	1.4
128.36610	0.8
134.04604	1.6
139.11185	15.0
149.09650	2.8
163.11174	2.7
165.12775	1.1
167.10608	1.3
171.10187	0.9
183.38223	0.9
207.09950	1.1
212.58437	0.9
219.09920	1.1
221.19054	11.4
222.19424	1.2
247.13329	1.2
247.17033	2.3
265.10486	3.0
265.14795	10.0
265.18051	100.0
265.21490	8.1
266.18381	5.9
268.10300	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	265.2171
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
56.89944	0.3
59.01236	1.0
70.82435	0.9
71.13482	0.3
74.95597	0.3
79.20168	0.3
82.43622	0.4
96.95890	7.3
106.87837	0.3
111.47771	0.3
139.31059	0.4
142.16788	0.4
152.11826	0.3
152.25859	0.3
162.72231	0.3
187.55424	0.4
214.50508	0.4
257.51395	0.3
265.15060	5.3
265.21695	100.0
266.15158	0.4
266.22006	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	267.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22229	5.8
53.26809	5.9
59.01241	21.1
70.66095	21.3
71.01250	19.7
76.38304	6.6
85.02821	21.7
87.00737	17.2
89.02325	10.1
101.02286	9.0
113.02357	23.8
163.90059	6.3
168.21373	6.6
191.05553	100.0
267.07297	42.8
272.84686	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	267.072
Annotation	formycin b
Peak:m/z	Relative Intensity
54.41428	1.1
55.01752	1.3
57.03309	4.0
58.00447	1.5
59.01247	28.0
68.99686	1.0
71.01249	35.6
71.57668	1.8
72.99168	4.5
73.02829	1.8
75.00744	15.8
78.95776	1.2
83.01247	2.3
85.02820	32.3
87.00742	20.3
87.45155	0.9
89.01814	1.2
89.02315	13.5
95.01268	5.2
96.06060	0.8
96.95896	1.0
99.00741	7.6
101.02308	7.1
103.00257	2.9
105.01812	1.7
111.00801	1.0
113.02326	37.9
115.00238	1.9
117.01800	3.6
119.03374	3.8
129.01814	2.7
131.03276	1.2
136.93863	1.9
139.00339	1.4
160.03960	1.1
175.02353	1.5
180.93921	1.0
183.89467	1.0
207.05011	1.3
237.06111	1.1
249.06143	5.4
267.07184	100.0
268.07480	4.2
287.98911	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	267.1236
Annotation	Pectinolide C
Peak:m/z	Relative Intensity
57.03306	0.8
59.01238	0.3
69.22459	0.4
69.29514	0.7
69.29926	2.7
83.04890	0.3
90.87536	0.3
97.06469	0.3
123.08063	0.3
123.54893	0.3
168.97987	0.3
178.35368	0.4
204.25821	0.3
205.12256	1.1
223.13333	100.0
224.13678	7.0
240.85916	0.3
249.14984	0.9
267.12363	11.7
267.15564	0.4
268.12717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.16
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
51.37547	1.1
56.56560	1.1
57.03323	20.6
59.01264	1.8
69.03327	34.0
70.30936	3.4
73.02795	6.2
81.06961	4.0
81.98795	1.2
83.04899	16.1
85.92258	1.0
92.91205	1.2
93.06972	3.0
95.04913	3.9
101.06872	1.0
111.08041	9.8
113.05957	5.6
119.08589	1.1
133.10089	5.2
135.11682	18.2
137.09595	4.3
155.07040	7.8
179.10692	48.0
180.11043	1.7
197.11797	12.5
267.16000	100.0
268.16373	6.9
286.35867	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	267.16
Annotation	Arteincultone
Peak:m/z	Relative Intensity
57.03322	23.2
59.01243	2.4
59.34999	0.7
59.65734	0.7
60.46061	0.6
69.03323	37.9
71.59118	1.0
73.02817	4.9
73.68309	0.8
74.80354	0.9
80.48491	0.7
81.06961	3.5
83.04894	19.9
85.02796	1.0
93.06960	1.3
95.04900	2.8
96.95898	1.1
97.06450	1.0
101.02229	0.9
102.98485	0.9
109.06467	1.8
111.08033	9.9
113.05956	5.3
119.08523	3.2
123.08050	1.8
133.10110	6.2
135.11678	16.7
137.09608	6.2
152.48834	0.8
153.05504	1.4
153.12769	1.9
155.07045	6.8
159.09766	0.8
161.09659	1.4
179.10690	51.7
180.11028	2.2
197.11768	16.3
223.13336	2.6
223.16982	0.8
247.69363	0.9
267.16000	100.0
268.16330	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	267.1963
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
53.15556	0.5
55.01755	2.3
57.03327	1.0
59.01241	0.5
69.03326	5.0
70.82446	1.1
70.82778	1.0
71.01247	1.2
71.04887	13.1
73.47966	0.5
80.02541	1.3
81.03323	1.5
83.04892	1.1
83.99777	0.5
86.09713	0.5
94.13235	0.5
97.06472	1.1
113.02325	0.6
195.17464	1.6
221.19032	3.8
223.20607	100.0
224.20940	7.4
267.19623	58.7
268.20004	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	267.1963
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
50.82343	0.7
57.02042	0.7
57.03320	4.0
59.01249	4.7
59.04064	0.7
66.67499	0.6
69.03335	1.0
71.01257	2.4
71.58136	1.3
77.73714	0.9
85.02798	1.0
86.47932	0.7
95.04881	1.9
97.06454	10.0
99.08013	1.2
101.02323	1.8
113.09597	8.2
117.10453	0.8
121.02769	1.6
121.48003	0.6
125.05965	2.0
138.00919	0.7
141.91176	0.8
143.07034	35.3
144.07384	0.9
151.11174	1.9
165.04601	0.9
181.19290	0.7
209.04410	1.2
214.92935	0.7
223.20663	1.2
225.41302	0.8
249.18556	34.9
250.18919	2.6
267.19623	100.0
268.19998	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	267.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	10.6
59.12292	1.4
62.73719	1.5
71.01239	5.1
73.02824	2.0
83.04890	2.2
85.02826	1.5
89.02306	3.9
96.78465	1.4
101.02313	3.5
113.02330	1.7
121.02842	2.7
134.12762	1.7
139.43657	1.5
149.09578	2.8
151.11256	1.7
161.04373	1.7
167.10681	44.7
168.11014	2.3
172.50024	1.4
209.04500	2.6
249.18549	27.9
250.18964	3.9
267.19626	100.0
268.20084	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	267.2326
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
63.17410	0.6
69.47086	0.7
71.21725	1.1
80.37692	0.6
92.56692	0.7
115.71066	0.7
160.78914	0.7
226.25046	0.8
229.91821	0.8
267.23273	100.0
268.23615	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	269.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17257	1.0
55.01755	12.5
57.03324	9.5
58.00470	5.0
59.01250	51.7
64.47128	0.9
69.03313	1.7
69.29306	7.6
69.29711	2.4
71.01250	100.0
72.01601	1.4
72.99176	4.6
73.02814	37.1
74.98972	5.3
75.00758	2.3
75.72145	1.1
77.13718	1.0
81.03345	1.1
83.01252	20.4
84.02045	1.2
85.02819	56.4
85.99979	1.7
87.00758	5.5
89.02316	2.7
95.01269	7.4
97.02824	2.6
99.00749	16.1
99.11569	1.1
101.02317	81.5
107.04927	1.1
113.02326	34.9
118.31409	1.1
125.02302	2.7
129.01834	2.5
139.00237	1.3
143.03375	2.5
152.56012	0.9
159.02867	6.8
161.04462	24.1
181.12199	1.4
193.30775	0.9
194.41808	1.1
205.03413	2.0
269.10269	7.7
269.21133	8.0
269.23880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1294
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
59.01258	0.5
62.96265	0.8
71.58159	0.3
75.13522	0.3
94.02864	0.7
102.99788	0.3
108.08042	0.4
113.82343	0.3
120.04453	2.9
129.36987	0.3
134.06000	0.4
136.07526	0.6
144.09366	0.3
150.09120	0.5
169.23465	0.3
182.09615	0.4
197.06969	0.3
198.12671	0.7
208.24655	0.3
210.09312	0.3
211.08678	2.8
211.13240	0.4
212.05812	0.5
212.09433	0.3
213.10326	0.5
215.69878	0.3
225.06726	0.7
225.10262	4.3
226.10751	0.6
226.12445	1.0
236.09560	0.4
239.08257	3.7
239.11879	0.4
240.08849	0.7
241.13408	4.0
251.11971	0.5
253.09775	1.8
254.10570	8.9
255.10796	0.5
269.12927	100.0
269.21158	6.3
269.24765	1.9
270.13266	7.5
286.09402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1755
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
50.76955	0.4
57.03318	0.9
59.01233	1.0
62.95948	0.9
62.96275	17.6
71.01228	0.4
71.04889	0.5
71.58864	0.6
78.03508	0.4
83.04896	0.5
85.65656	0.4
97.06452	1.8
99.08028	1.3
113.09621	2.7
115.07528	1.5
123.08050	1.2
125.05982	0.9
125.09595	5.1
127.07462	0.4
137.09581	0.6
139.11166	0.7
141.09108	4.4
143.10675	1.2
151.07558	0.6
153.09111	2.1
163.11217	2.8
171.10217	2.0
186.95523	2.3
197.18979	1.0
199.09711	0.5
200.10440	2.9
205.15852	0.6
207.13988	2.0
207.17473	3.0
223.17003	1.5
225.18524	1.5
233.15427	1.1
241.18126	0.6
251.12813	0.4
251.13660	0.5
251.16495	8.4
269.04556	1.1
269.13370	8.5
269.17560	100.0
269.21042	9.5
269.24820	1.7
270.13431	0.7
270.17886	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	269.1757
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
52.15708	0.4
57.03322	4.1
59.01249	0.7
65.53083	0.5
69.03328	0.4
69.71861	0.4
70.34462	1.6
71.01231	1.4
71.04893	2.9
72.02041	2.3
73.02822	4.1
74.03111	0.4
79.69306	0.4
83.04893	0.5
85.02824	1.4
87.04388	100.0
88.04713	2.1
97.06438	0.6
99.04381	5.1
101.05968	0.7
118.27776	0.4
121.10153	0.5
123.08040	0.7
125.09612	0.9
129.57875	0.4
137.09622	1.5
138.04579	0.4
181.15862	0.4
189.16451	0.8
191.14380	0.8
197.05972	0.5
207.17473	7.3
209.11897	0.6
209.15419	2.1
223.17143	0.7
225.14954	0.7
251.12810	0.8
251.16521	0.6
269.04568	2.0
269.17581	54.9
269.20975	3.0
270.17947	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	269.1758
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
57.03323	4.4
59.01237	1.4
69.03320	0.3
69.28512	4.0
69.89027	0.4
71.01260	1.4
71.04895	3.2
72.02050	1.8
72.99182	0.4
73.02811	0.7
77.20293	0.4
81.03332	1.3
85.02808	1.4
87.04390	100.0
88.04729	1.2
97.06554	0.4
98.19755	0.7
99.04397	5.9
100.38882	0.4
101.05943	0.5
123.08062	0.7
125.09634	2.2
131.03442	0.4
137.09605	0.8
155.39911	0.4
189.16415	1.2
207.17447	6.8
208.17760	0.6
209.15385	1.2
223.16895	0.6
227.13017	0.6
233.11795	0.5
251.12811	2.5
251.16562	1.2
269.17581	51.3
269.20950	2.8
270.17905	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	269.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.1
58.58659	0.3
59.01239	1.5
62.96276	20.0
70.55636	1.0
95.04928	0.5
97.06467	2.5
99.08047	1.2
100.03925	0.4
113.09588	2.9
115.07513	1.6
123.08020	1.0
125.05955	0.8
125.09611	4.3
125.48724	0.4
126.09871	0.3
127.07529	0.4
128.08318	0.5
132.98082	0.4
135.07974	0.5
137.09616	0.5
137.61932	0.3
139.11186	0.9
141.09106	3.3
143.10667	1.1
151.07558	0.5
153.09122	1.6
154.09853	0.5
163.11188	1.2
169.08545	0.4
171.10179	2.3
186.95486	2.0
197.18956	0.6
199.09634	1.1
200.10506	3.1
205.15805	0.4
207.13840	1.6
207.17436	3.7
222.16156	0.4
223.16913	1.6
225.18527	2.0
233.15326	1.1
242.59602	0.3
251.16495	8.9
252.16885	0.7
269.13373	9.1
269.17560	100.0
269.21024	8.1
270.13486	0.7
270.17914	7.8
270.21091	0.8
278.04666	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	269.212
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03313	0.5
59.01231	0.8
62.96281	0.6
66.65025	0.4
69.36135	4.0
113.09588	0.6
125.09580	0.9
141.12750	1.2
155.10681	1.6
171.10161	2.6
186.95532	1.1
225.22214	1.5
251.20097	4.4
265.32184	0.4
267.19604	0.6
267.63403	0.4
269.04568	1.0
269.21198	100.0
270.21545	7.0
270.24603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
54.30503	0.4
55.26895	0.4
57.03308	1.8
59.01226	0.4
69.03320	0.6
70.42451	0.3
71.04890	10.7
83.04879	2.4
87.50674	0.4
93.32921	0.4
99.00746	1.5
101.01176	0.4
101.02314	0.5
126.94885	0.4
132.60207	0.5
133.86258	0.4
195.17468	2.3
197.19025	24.0
198.19354	1.1
221.18964	0.8
223.20618	10.6
224.20856	0.5
225.22176	32.7
226.22627	2.2
251.20087	5.7
252.20499	0.6
269.04495	0.7
269.21198	100.0
270.21542	7.6
278.52371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0609
Annotation	CHEBI:68126
Peak:m/z	Relative Intensity
57.03307	0.6
57.03737	0.5
59.01242	1.0
65.00150	0.6
66.60816	0.5
69.03327	0.7
69.75290	0.8
69.75690	3.3
75.46454	0.6
78.85259	0.6
81.03317	0.8
89.98247	0.6
93.03336	15.9
95.01244	0.8
95.04894	0.6
95.93657	0.5
97.02797	0.6
107.01283	0.7
108.02039	2.8
109.02843	1.7
119.04885	2.1
121.02850	4.5
125.02366	0.7
125.09599	0.5
125.67841	0.6
130.04118	2.1
131.04868	1.0
133.02829	1.8
134.03596	1.1
139.58887	0.6
143.04918	2.1
143.91312	0.6
156.05692	1.9
157.06483	5.3
159.04401	1.6
160.01602	1.2
161.02354	0.7
164.00665	1.0
167.04839	0.7
169.06537	2.5
171.08070	2.7
180.05734	2.6
181.06511	4.5
183.04404	0.9
183.08075	2.1
184.05179	1.8
185.06010	3.7
197.05994	3.2
198.06734	1.1
199.07565	7.5
208.05153	3.2
209.06032	9.3
210.06685	2.0
211.03993	0.8
224.04730	2.2
225.05486	9.7
226.06227	4.8
227.07079	100.0
228.07404	6.1
253.05043	10.8
254.05472	0.7
271.06100	41.8
271.15561	5.6
271.18817	1.1
271.22766	2.4
272.06458	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	271.0611
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
63.02263	12.4
65.00189	21.9
66.00511	0.3
67.01753	0.3
68.99659	0.4
70.85548	0.4
70.85912	0.7
71.01260	0.4
75.08829	0.3
79.92738	0.3
83.01251	15.3
87.04396	0.3
93.03329	16.0
94.03645	0.5
102.52119	0.3
107.01263	32.8
108.01566	0.7
109.02851	0.7
116.45129	0.3
117.03354	0.4
119.04906	96.6
120.05245	3.4
121.02846	1.0
123.00769	0.3
125.02293	1.6
133.02853	0.7
137.02361	0.8
143.04936	1.2
145.02835	2.1
149.02338	0.4
151.00264	83.4
152.00603	2.1
157.06458	0.4
161.05975	2.0
164.01070	0.3
165.01836	3.9
169.01323	4.8
170.01762	0.3
177.01831	12.8
177.83344	0.2
178.02165	0.4
185.06013	1.8
187.03900	3.8
191.05504	0.6
199.07426	0.3
208.79471	0.3
227.07062	1.4
229.05069	1.0
242.74510	0.3
253.05095	0.4
271.06091	100.0
272.06421	6.7
272.09366	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	271.061
Annotation	CHEBI:68126
Peak:m/z	Relative Intensity
55.45493	0.6
66.89645	0.5
71.58871	0.7
75.37890	0.6
85.02786	0.8
87.04366	0.9
89.03806	0.7
93.03330	53.3
94.03691	1.3
95.01237	2.0
95.04863	0.9
107.04900	39.1
108.01359	0.9
108.02042	10.2
108.02728	1.2
108.05214	1.3
111.72820	0.5
114.91957	0.5
123.00762	0.6
133.02840	32.5
134.03165	1.6
137.02325	1.2
142.90248	0.6
146.02469	0.6
171.07899	0.7
177.01839	47.9
178.02176	1.9
184.05170	1.0
185.05991	7.8
195.74104	0.6
208.05200	1.6
209.06004	4.6
212.04707	1.3
224.04758	0.9
225.05521	9.3
227.07072	100.0
228.07414	6.3
253.05055	4.0
253.14474	1.0
271.06104	31.6
271.15759	1.3
271.19122	8.4
271.22253	1.1
272.06439	2.4
272.09131	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	271.061
Annotation	CHEBI:68126
Peak:m/z	Relative Intensity
51.68468	0.2
66.08106	0.3
69.03328	0.7
70.55527	0.8
70.55857	0.3
74.40381	0.2
82.83540	0.3
93.03333	4.4
97.02804	0.3
108.02032	0.8
109.02819	1.0
115.05426	0.3
119.04893	0.9
121.02840	4.0
129.03754	0.2
130.04129	2.7
131.04895	0.5
135.04431	0.4
137.02298	0.5
141.06944	0.3
143.04909	1.9
149.02333	1.2
156.05710	2.6
157.06482	4.5
158.03632	0.8
159.04422	2.9
167.04956	0.3
169.06464	2.9
169.81471	0.3
171.04404	0.4
171.08070	3.1
172.05205	0.3
180.05721	1.7
181.06502	5.2
182.07030	0.3
183.04413	0.6
183.08073	1.9
184.05156	1.1
185.06003	1.2
195.04333	0.4
196.05209	1.1
197.06006	4.3
198.06731	1.3
199.07547	6.1
200.08089	0.4
208.05247	2.4
209.05994	9.7
210.06589	1.0
211.03899	0.5
212.04640	0.5
224.04758	4.2
225.05496	12.8
226.06102	2.1
227.07072	100.0
228.05153	0.4
228.07404	6.3
253.05013	14.1
254.05319	0.9
271.06094	43.5
271.22488	0.5
272.06393	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	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.07748	0.6
57.67616	0.6
62.07247	0.5
63.02268	11.8
64.02622	0.8
64.46133	0.5
65.00193	20.2
71.01226	0.5
79.97065	0.5
81.03324	0.7
83.01255	14.2
93.03329	19.3
93.03907	1.0
96.59222	0.5
97.06420	0.7
97.62601	0.7
99.04424	0.6
107.01266	32.2
119.04911	89.6
120.05247	2.8
121.02820	4.2
125.02326	1.6
125.09637	0.7
133.02853	0.7
137.02344	0.9
143.04955	1.2
145.02837	1.6
151.00272	82.0
152.00615	1.9
161.05983	1.2
165.01845	3.5
169.01344	6.1
173.20259	0.6
177.01842	10.7
178.02235	0.5
185.05969	1.7
187.03886	3.5
199.07671	0.9
222.38640	0.6
225.05444	0.7
227.07109	1.8
227.12854	2.6
229.04993	0.8
241.05040	1.7
253.05064	1.1
256.07272	1.7
271.06100	100.0
271.22769	1.3
272.06506	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	271.1185
Annotation	Tensyuic acid C
Peak:m/z	Relative Intensity
55.01683	1.1
57.03215	1.8
57.03497	1.0
59.01160	1.2
64.96806	0.6
65.12550	0.5
68.99626	0.8
69.03223	6.2
69.03634	0.9
69.47053	3.2
69.47468	1.4
71.04789	6.3
73.02718	4.2
83.01167	1.5
83.04821	0.7
84.01963	1.1
85.02746	0.7
86.03524	0.6
87.00674	0.7
87.04318	0.6
93.50788	0.6
97.06453	3.8
99.00647	0.8
99.04285	1.9
101.02304	3.4
101.05901	1.3
108.04350	1.2
112.05090	1.3
123.07932	1.7
125.05877	1.0
125.09608	12.5
126.09896	0.6
136.07518	1.3
137.09583	1.0
141.09087	4.8
143.10637	0.8
151.07498	0.8
153.09125	3.5
155.14233	1.5
165.12778	5.0
166.13199	0.5
169.08485	0.8
171.10123	2.0
174.21899	0.6
181.12241	3.4
183.13794	2.0
187.09727	0.7
191.10777	3.1
199.13310	1.4
209.11757	10.8
210.12134	1.0
223.56207	0.5
227.12828	100.0
228.13177	5.8
239.09195	0.6
266.85593	0.7
271.11871	30.0
271.22729	0.8
272.12283	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	271.2276
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
54.15362	0.8
59.21259	0.7
62.43908	0.6
96.19287	0.6
179.08173	0.7
221.18945	1.0
223.20554	4.0
225.22180	60.7
226.22522	4.5
253.21625	1.5
271.22775	100.0
272.23077	7.7
294.26263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.03852	0.3
57.93362	0.2
59.01234	0.2
70.11934	1.1
80.49313	0.2
92.35228	0.2
119.04867	0.2
125.02338	0.2
194.06198	0.2
225.22185	4.0
227.07063	0.3
236.95145	0.3
241.04857	0.3
253.21719	1.5
269.21124	1.1
271.22763	100.0
272.23102	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	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01252	0.7
62.34209	0.7
74.03774	0.6
83.04900	1.2
97.06448	1.0
99.08035	5.5
99.75101	0.6
108.02045	0.8
109.02834	1.1
113.09580	1.0
119.04876	0.8
125.02329	1.3
151.00288	0.8
155.14317	4.1
182.53447	0.7
215.37219	0.7
225.22176	6.9
232.10429	0.7
253.21587	1.1
269.21213	2.5
271.22766	100.0
272.23148	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	271.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80706	0.3
59.01250	0.6
66.10846	0.3
70.12109	0.6
70.12494	0.7
75.08723	0.3
107.04515	0.3
116.76605	0.3
119.04925	0.5
125.02343	0.6
151.00291	0.4
209.19034	0.3
211.20561	2.0
225.22226	1.3
246.28322	0.3
253.21634	1.7
269.21249	0.6
271.06082	0.9
271.22766	100.0
272.23090	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	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08421	0.3
54.82681	0.4
55.01741	0.3
55.77237	0.5
69.95658	2.2
71.01259	0.5
81.03329	0.8
83.01250	3.2
83.04858	0.6
84.02041	2.4
97.02839	0.5
97.06465	0.8
123.08006	0.6
125.09583	5.0
127.11172	1.7
135.07977	0.4
163.11183	1.5
165.12759	0.8
171.10162	4.4
176.01057	1.0
182.13068	1.0
191.10695	3.5
197.15475	0.4
204.49745	0.4
207.10210	0.4
209.11766	4.0
211.13248	0.5
223.13382	1.0
226.12053	1.1
241.14420	2.3
243.15999	1.2
243.50311	0.4
258.60010	0.8
273.17053	100.0
274.14651	0.6
274.17383	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	277.1808
Annotation	Fenoksan
Peak:m/z	Relative Intensity
58.89949	0.3
59.01234	1.1
71.01257	0.5
80.95597	0.3
95.04881	0.5
97.06453	0.4
104.44852	0.3
119.04856	0.4
121.02833	0.6
125.06020	0.5
127.07511	0.4
134.07256	1.3
136.08836	1.2
137.09570	0.9
139.67383	0.3
149.09608	1.1
151.11182	22.3
152.11563	0.6
152.91684	3.3
161.02371	0.3
161.09624	0.9
167.90369	0.4
170.92783	0.4
176.11938	1.0
177.12746	0.7
179.14323	0.5
191.14450	0.5
194.92694	5.1
194.94035	0.3
194.95494	0.7
203.14363	0.4
205.15883	2.8
212.93854	1.1
233.15613	1.8
233.19046	11.8
234.19383	0.9
259.17007	7.6
260.17441	0.7
276.93112	0.7
277.18069	100.0
278.14182	0.4
278.15244	0.6
278.18396	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.0
71.01248	0.5
77.12379	0.2
79.47648	0.2
98.19729	0.3
98.61668	0.2
127.07529	0.3
152.91681	0.4
194.92760	0.5
205.15794	0.6
231.72977	0.2
233.19115	0.5
233.22633	0.5
259.20715	0.3
275.20114	0.3
277.18433	5.1
277.21683	100.0
278.18796	0.3
278.22031	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	277.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00953	0.4
59.01246	6.1
70.20766	0.3
71.01260	0.9
79.95609	0.4
81.95175	0.6
95.08871	0.3
98.05698	0.3
98.19744	0.5
98.41089	0.3
101.70935	0.3
116.33806	0.2
121.02865	0.4
124.71879	0.3
133.04950	0.3
142.25253	0.2
152.91646	1.1
194.92712	1.6
194.95474	0.7
205.15880	1.3
212.93893	0.3
233.19035	0.6
233.22746	0.7
259.20572	0.4
268.57358	0.3
275.20413	0.5
276.93137	0.4
277.18207	10.5
277.21677	100.0
278.18842	0.3
278.22028	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	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01245	0.5
59.54676	0.3
62.12410	0.4
71.35519	0.9
71.89893	0.4
82.92772	0.4
126.57413	0.3
233.22601	0.4
275.19937	0.4
277.21701	100.0
278.22021	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	278.0668
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
59.01239	0.9
69.95602	1.8
71.01241	4.6
71.54070	0.4
88.03909	27.2
94.68739	0.4
98.20518	0.4
114.01849	4.0
115.00252	10.7
117.03332	0.6
119.04050	0.6
119.04903	12.9
120.05173	0.3
132.02913	100.0
133.03275	1.9
145.02872	2.3
162.05464	0.9
163.03905	3.2
172.64136	0.5
188.07039	0.4
234.07706	1.1
278.06726	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	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59127	0.8
59.01229	1.4
71.00885	1.8
71.01251	20.0
71.59005	1.3
86.59772	1.1
93.03351	1.5
115.00263	11.4
119.04915	68.3
120.05224	2.1
133.01344	11.7
141.33047	1.0
145.02806	1.1
163.03914	100.0
164.04272	4.8
176.01042	6.2
183.08305	1.0
191.03395	6.1
192.44362	1.1
219.02890	2.9
225.40233	1.0
269.17444	0.9
270.98804	1.0
279.12338	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	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85350	0.7
59.01252	1.4
69.58181	3.9
71.01247	16.7
72.99168	2.7
73.02818	1.0
85.02831	1.2
87.00759	0.9
89.02308	2.6
93.03326	0.9
101.02315	1.6
113.02310	1.2
115.00250	36.8
119.04908	36.2
120.05235	1.3
122.04887	0.9
123.04405	1.8
125.04605	0.8
133.01317	100.0
134.01651	1.4
163.03914	35.4
164.04297	1.0
175.64746	0.7
230.62019	0.7
243.36661	0.7
279.09003	1.0
279.12469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1084
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
59.01247	30.2
71.01250	17.7
71.04888	7.8
71.29226	2.9
83.01244	2.0
83.45860	1.3
85.02827	3.5
89.02312	16.3
99.04398	2.3
101.02329	12.6
101.06032	1.6
113.02318	6.3
117.05460	62.1
118.05860	1.9
119.03394	5.3
188.09348	1.4
202.69984	1.3
279.10837	100.0
280.11179	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	279.1084
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01741	1.6
57.03308	1.3
58.00457	2.3
59.01249	71.5
59.75107	1.1
60.01534	0.9
65.68143	0.9
71.01248	38.4
71.04889	17.5
71.57607	1.3
72.99177	4.1
73.02818	2.2
75.80436	0.9
82.27066	1.0
83.01264	3.7
85.02821	8.9
87.00757	2.7
89.02315	31.1
90.98415	1.4
95.01247	3.0
99.00685	0.9
99.04376	9.7
101.02321	20.0
101.05963	2.4
107.78038	1.0
110.02352	1.5
113.02334	12.6
113.05962	2.0
117.05460	77.8
119.03395	10.7
131.03371	1.1
159.06424	1.7
161.04428	1.7
179.05470	1.6
206.09114	1.1
243.06224	2.8
279.10843	100.0
280.11163	5.0
299.57468	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	279.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.3
57.73521	1.0
58.00461	1.4
59.01246	42.3
59.09969	1.1
67.85203	0.8
70.55087	3.6
70.55457	0.8
71.01250	27.5
71.04889	9.1
72.99174	2.2
73.02821	2.4
75.00730	1.2
80.85957	0.8
83.01257	2.5
85.02829	6.4
87.00744	2.2
89.02313	25.7
95.01247	2.4
99.04392	7.3
101.02313	16.1
101.05952	2.1
103.91926	1.5
110.02335	1.9
111.01859	2.2
113.02332	8.6
113.05959	1.2
115.91879	0.9
117.05458	55.0
118.05805	1.1
119.03376	11.0
120.99565	1.4
122.89329	5.2
143.03375	1.6
159.06540	1.7
161.04492	1.5
179.05554	1.2
215.24997	0.9
235.37856	0.8
243.06183	4.5
246.01991	0.8
279.10831	100.0
280.11133	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	279.1083
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
58.00456	3.2
58.57345	1.7
59.01247	100.0
62.28590	1.7
70.49596	2.2
70.49947	5.2
71.01249	67.4
71.04874	1.9
72.99164	5.8
73.02807	4.4
75.00723	1.9
77.91480	1.6
83.01241	2.5
85.02819	9.8
87.00755	3.5
89.02314	84.7
95.01292	4.0
99.04370	12.7
101.02321	49.4
113.02329	30.4
117.05470	19.1
119.03390	36.8
135.21553	1.6
143.03358	2.4
149.04404	2.3
179.05579	2.5
245.02489	1.8
279.10822	99.8
280.11288	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	279.1237
Annotation	5-[1-Hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
54.42361	1.5
57.03310	7.6
59.01250	3.2
67.01740	1.8
67.47676	1.7
69.03323	3.5
69.56481	13.9
71.01255	1.7
81.03319	4.5
82.37455	1.6
83.04884	7.5
93.03315	6.3
95.01157	1.7
95.04901	6.1
96.95891	15.0
97.02830	8.6
98.19753	2.0
99.04371	6.6
101.02296	2.1
107.04869	3.9
109.02823	7.3
109.06470	2.5
111.04387	3.1
121.06467	7.0
123.04372	17.9
123.08028	3.7
125.05965	10.7
135.04410	4.1
135.07999	3.4
136.05205	19.7
137.02344	2.1
137.09596	5.0
139.07556	6.0
147.08089	3.0
147.11679	3.7
149.05952	2.4
151.07549	100.0
151.11153	10.9
152.07928	2.7
158.07248	3.7
161.05908	2.3
162.06831	2.1
165.09225	2.2
167.07021	5.2
168.07843	24.0
169.08626	10.5
171.08073	3.5
171.11681	5.1
173.09615	8.7
175.11183	5.0
179.07008	5.5
179.10658	2.7
184.08858	16.1
187.11205	12.1
189.12778	9.5
199.11354	8.2
199.12962	2.7
201.09158	10.1
202.09901	5.2
205.12260	38.5
206.12593	2.1
215.10667	6.3
217.12259	55.8
218.12624	3.4
235.13339	8.3
236.13107	1.8
249.11296	2.5
261.11337	4.3
279.05499	3.4
279.08975	10.2
279.12329	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	279.1966
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
56.31573	2.0
59.01243	8.9
69.03249	1.9
71.01251	5.6
71.58578	3.1
73.02814	5.8
83.04884	3.9
85.02827	4.3
92.08671	2.0
96.95869	3.6
97.06441	4.2
107.08537	3.7
109.06434	3.1
111.08028	6.0
113.08346	1.8
113.09599	4.9
119.04915	2.9
123.08068	5.4
125.09600	11.0
135.07997	4.4
137.09613	3.5
139.11174	4.4
141.09108	6.5
153.09114	35.3
155.10715	3.1
161.13879	2.5
165.08873	2.6
167.10580	3.1
169.12213	4.9
170.09424	8.3
171.10188	17.9
181.12303	10.5
190.47684	2.0
197.90370	2.2
209.11780	5.0
218.09027	2.4
235.17036	5.9
243.17390	2.6
251.20023	3.9
259.10245	2.2
261.18576	22.4
279.16183	6.4
279.19632	100.0
279.23175	12.3
280.19989	8.1
292.88705	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	279.1963
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
51.22128	0.3
57.03323	3.7
59.01242	3.3
59.89445	0.3
70.16390	1.6
71.01247	0.8
71.04890	0.5
83.04886	1.5
86.23656	0.4
86.39194	0.4
93.03346	0.4
96.95868	1.2
97.06483	0.5
99.08026	21.6
101.02282	0.6
107.08549	0.5
109.06519	0.9
111.07959	0.4
121.02661	0.4
123.08042	1.0
125.09603	2.4
135.11691	0.5
140.63791	0.4
149.09561	0.5
153.09114	0.4
167.10725	1.8
171.10172	1.0
177.12733	1.0
179.10732	2.0
184.75339	0.4
195.13754	3.1
235.17020	2.8
235.20598	2.8
261.18585	1.6
279.19629	100.0
279.22952	5.5
280.19971	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	279.1963
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
55.06845	0.5
57.01922	0.5
57.22393	0.5
59.01248	1.2
69.03374	0.6
72.99173	0.9
81.41836	0.6
83.04933	0.8
85.02814	0.6
96.95898	4.2
97.06494	0.5
99.08031	0.7
101.02328	0.8
113.09565	0.5
117.54310	0.5
119.99915	0.5
121.10088	0.7
125.09620	3.8
132.29333	0.5
132.37726	0.6
133.46042	0.5
139.11172	2.1
142.73140	0.6
153.09035	0.5
175.14896	0.6
177.16377	3.6
200.55264	0.6
233.19101	3.0
251.78041	0.5
279.19635	100.0
279.22974	6.7
280.19983	7.7
280.23090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.18472	0.5
62.31835	0.6
63.04200	0.5
71.75332	0.5
74.35650	0.5
77.19335	0.6
85.98222	0.5
98.19735	0.8
99.64059	0.6
114.18296	0.7
224.74277	0.5
226.33887	0.6
279.23273	100.0
280.23630	9.2
280.66156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.39888	0.4
59.01216	0.5
69.62611	0.4
70.82587	0.3
109.90836	0.3
116.99186	0.3
259.92490	0.4
261.22052	0.5
268.34595	0.4
279.23264	100.0
280.23618	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	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48879	0.6
59.01242	2.2
62.80891	0.7
70.92447	0.8
70.92763	1.0
75.00719	1.1
76.88041	0.6
87.00748	1.1
97.86018	0.7
97.89658	0.7
119.04908	1.9
121.02824	2.0
133.02864	1.3
134.03625	44.1
135.02875	2.8
135.03864	1.0
137.02342	7.9
139.03920	2.6
149.05983	14.3
150.03212	1.0
163.03893	1.3
178.02631	32.5
179.03062	1.0
187.20335	0.7
193.04984	100.0
194.05312	4.4
281.06757	2.2
281.10086	0.8
281.24826	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	281.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87236	1.9
53.22274	2.0
53.89365	1.8
59.01252	6.1
62.25434	2.0
68.44297	1.9
69.40305	20.4
72.99177	5.1
75.00747	22.0
80.96416	2.5
87.00757	24.5
88.01051	2.0
89.02308	2.7
96.95889	3.8
117.01820	41.3
119.04920	61.9
134.03622	23.6
135.02890	59.1
137.02315	3.0
139.97005	2.0
149.05983	7.6
163.03912	100.0
164.04248	4.6
178.02667	13.4
193.05006	49.8
194.05313	3.2
244.31381	2.0
281.06839	6.8
281.24924	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	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.2
65.02519	0.3
69.50784	0.6
69.51201	1.3
71.01291	0.2
72.36481	0.2
87.00739	2.1
89.72301	0.2
93.03316	0.5
96.95879	0.5
99.88133	0.2
106.04130	0.5
111.00748	0.4
117.03304	0.3
119.04900	1.0
121.02830	1.9
133.02847	1.4
134.03627	47.0
135.02959	0.5
135.03970	1.6
137.02333	9.9
139.03906	2.8
147.04411	0.3
149.02350	0.5
149.05978	17.0
150.03136	1.2
150.06296	0.8
163.03873	0.3
165.01820	0.6
178.02623	36.9
179.03046	1.3
183.10170	0.3
193.04980	100.0
194.05342	3.9
201.11072	0.3
207.40482	0.2
276.74268	0.2
281.06720	2.2
281.10001	0.4
281.13870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14616	3.8
59.01251	84.1
62.42930	3.6
71.01254	100.0
71.05740	7.0
73.02830	21.0
83.01255	10.9
85.02827	31.1
87.00703	4.9
89.02299	50.0
96.74905	3.5
97.02770	4.6
98.70706	4.1
99.00736	10.2
101.02319	77.1
113.02338	36.0
119.03357	15.0
119.07007	9.9
131.03384	4.6
143.03378	6.2
150.04112	7.2
159.02864	8.2
161.04442	34.8
243.06203	6.4
281.09171	6.7
281.12372	43.5
281.24741	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	281.2121
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
53.48748	0.5
54.40078	0.5
57.03314	0.8
59.01246	6.5
63.58894	0.5
71.01241	2.6
71.59068	0.9
85.02809	0.7
89.02319	0.8
99.00739	0.7
99.08080	2.8
99.08630	0.5
101.02308	1.3
109.93804	0.5
113.02399	0.6
149.45064	0.6
177.12721	0.7
179.14294	0.9
195.13831	20.5
196.14197	1.4
209.56418	0.6
234.77885	0.6
263.20126	19.2
264.20471	1.3
281.21204	100.0
282.21548	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	283.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38886	0.3
55.01773	0.5
57.03320	1.1
58.99476	22.2
59.01254	8.2
62.30190	0.3
62.67413	0.3
69.31155	3.2
71.01254	11.4
72.99178	0.6
73.02821	3.1
74.98977	1.0
75.00725	0.3
83.01260	1.0
85.02823	5.2
87.00749	11.4
89.02313	5.0
95.01251	0.9
96.95856	0.4
97.02799	0.5
99.00751	1.2
101.02317	4.8
102.98471	100.0
103.98843	0.9
109.06529	0.3
113.02317	3.6
119.03396	2.2
125.69450	0.3
127.35815	0.3
128.55646	0.3
143.03406	0.5
148.37608	0.4
159.02898	0.5
161.04472	5.1
179.05510	0.7
185.50325	0.3
205.07117	0.4
209.11729	0.9
249.06116	5.0
263.04449	0.3
283.04932	19.0
283.11417	1.4
283.15652	1.3
283.26398	18.8
284.05194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.5
57.03304	0.7
57.69725	0.3
58.00437	0.4
58.99471	22.5
59.01249	9.2
59.34449	0.3
61.34211	0.2
69.30145	0.3
69.30470	2.9
71.01248	11.5
72.99197	0.3
73.02814	2.8
74.98972	0.8
79.05363	0.3
83.01263	1.2
85.02814	4.7
87.00748	11.2
89.02314	5.7
95.01250	0.9
97.02850	0.3
98.20500	0.5
99.00755	0.9
101.02320	5.0
102.98468	100.0
103.98875	1.3
113.02327	4.6
119.03419	1.8
120.99590	0.5
125.09618	0.3
128.94972	0.3
130.10867	0.3
143.03389	0.7
155.49500	0.3
159.02859	0.6
161.04459	5.3
179.05476	0.3
205.07068	0.5
241.61845	0.3
249.03767	0.5
249.06129	5.6
260.21912	0.3
283.04922	16.9
283.15549	0.6
283.26385	8.5
284.05365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99459	0.7
59.01254	2.3
71.01263	1.1
73.02821	0.6
77.90086	0.5
80.02562	1.6
80.07240	0.5
81.03332	0.8
83.04893	6.0
87.00781	0.7
95.04915	1.1
95.51727	0.4
102.98449	3.6
108.18620	0.6
125.05963	1.0
135.02940	0.6
163.11211	4.7
165.12764	2.8
170.79178	0.5
181.12238	0.7
191.10684	1.1
193.84630	0.4
209.11766	100.0
210.12100	6.8
239.12878	0.7
266.71625	0.5
283.05200	0.7
283.15723	1.2
283.19382	1.2
283.26395	30.9
284.26724	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	283.1549
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.95212	0.4
53.78268	0.4
58.99466	0.9
59.01234	1.1
69.62306	2.4
71.01247	1.4
80.02537	1.0
81.03339	1.0
83.04893	4.7
85.02837	0.3
87.00734	0.8
89.02303	0.9
95.04919	0.6
101.02368	0.5
102.98466	6.8
108.52987	0.4
125.05936	0.5
134.58659	0.3
135.08012	0.6
147.11685	0.4
161.04494	0.4
163.11189	3.4
164.11581	0.4
165.12735	2.3
181.12257	0.4
191.10667	0.9
209.11752	100.0
210.12061	5.8
249.06139	0.4
283.04910	1.1
283.15646	0.5
283.26382	9.1
284.26868	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	283.1913
Annotation	Koninginin C
Peak:m/z	Relative Intensity
57.03313	0.9
57.18332	1.0
58.00461	3.1
59.01245	12.3
60.99180	1.1
67.43925	1.1
67.44291	0.9
69.03310	0.9
71.01251	2.6
71.19568	1.6
73.02808	3.1
75.00742	2.1
75.12766	0.9
83.04906	1.6
93.03323	0.9
95.04884	4.2
97.06458	30.7
99.08031	19.4
101.02360	1.0
101.05985	1.0
109.06467	8.2
110.06782	1.0
111.08021	4.2
115.07407	1.1
121.02840	1.3
121.10110	3.6
123.07991	1.6
125.05967	3.9
125.09599	2.7
127.07523	8.3
129.09111	3.8
137.05980	22.2
139.11168	1.8
143.07039	19.2
155.07040	29.4
155.08310	1.6
157.08560	2.2
173.08098	60.4
174.08453	3.5
187.09695	1.6
197.24066	0.9
199.09850	1.1
201.02515	4.4
201.11261	2.5
203.17938	2.8
209.11761	1.8
218.93416	1.1
219.17401	1.3
247.17009	8.4
248.17204	1.2
248.83659	0.9
265.18027	15.7
283.10367	1.4
283.15826	2.6
283.16409	1.6
283.19141	97.2
283.26367	100.0
284.19504	8.6
284.26712	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	285.0767
Annotation	(R)-DNPA
Peak:m/z	Relative Intensity
58.84803	0.6
59.01253	2.5
66.18056	0.6
67.01755	0.8
69.64326	4.3
78.95766	2.8
84.02070	2.9
97.59953	0.6
98.20477	1.1
99.04394	4.7
102.04208	0.5
123.04428	1.4
156.05728	0.7
169.06499	1.2
171.10187	2.3
180.05777	0.9
181.06471	1.5
183.04413	1.0
195.04492	0.6
196.05206	1.4
197.06010	6.4
198.06671	1.2
202.98706	1.2
208.05243	1.6
209.06056	5.3
210.63834	0.6
224.04755	4.6
225.05508	100.0
226.06227	32.7
227.06619	1.4
241.08649	49.6
242.08952	2.5
252.04265	3.1
267.06558	2.6
284.26712	4.0
285.04224	2.3
285.07645	43.8
285.17435	5.2
285.20328	5.4
285.27112	2.3
286.07977	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	6.3
58.00464	1.5
59.01237	2.4
69.03304	1.5
70.93529	2.9
71.01230	1.0
74.65656	0.9
83.04900	1.9
85.02834	1.6
85.06445	2.9
89.12953	0.9
95.04897	1.5
97.06469	12.4
98.47498	1.2
100.35169	1.0
101.05959	98.3
102.06295	2.3
106.03988	1.2
111.08062	1.1
113.05954	2.4
115.07523	10.3
123.04452	1.4
123.08062	6.1
125.09609	100.0
126.09918	3.6
127.11176	4.2
143.04987	1.4
143.10777	1.1
145.02893	1.2
155.10666	1.7
159.04378	2.7
160.05148	1.2
165.09093	3.2
169.08641	3.2
171.10165	6.3
172.05165	3.1
173.05995	1.7
183.10266	1.7
187.03903	2.6
187.09697	13.8
188.04639	5.4
199.09647	1.4
200.04657	2.9
201.11252	67.3
202.11578	3.5
206.01563	1.0
211.13301	2.0
223.16974	7.1
227.16447	2.3
239.16368	1.2
241.14476	1.4
249.14914	2.8
256.11163	1.9
257.11526	1.3
257.17551	11.0
267.15994	17.9
268.16382	1.9
285.04059	4.7
285.17032	12.9
285.20599	3.5
285.27066	1.8
286.17493	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
50.81734	0.4
57.03310	0.8
57.76317	0.4
59.01241	3.2
64.50554	0.4
69.79038	0.8
69.79446	1.9
78.54788	0.4
78.95778	1.4
95.01239	0.5
98.19884	0.9
123.04385	1.4
136.28200	0.4
168.10446	0.4
174.99112	0.9
189.10883	0.4
202.98718	1.4
203.02267	0.5
217.00259	0.9
221.19038	0.8
223.20615	56.1
224.20909	3.6
233.95311	0.4
241.21722	1.0
243.36751	0.4
258.42075	0.4
267.19635	33.7
267.68631	0.4
268.19931	2.2
285.04031	2.9
285.20700	100.0
286.21033	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	286.2386
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.97749	0.3
55.90482	0.3
58.83673	0.3
59.01236	0.5
70.02853	0.9
71.59006	0.5
71.59411	0.4
74.05988	1.9
91.05419	0.4
117.06983	21.2
118.04989	0.9
125.09573	1.7
143.21921	0.4
153.44359	0.4
240.23268	2.9
242.21230	1.4
243.17378	0.7
266.56247	0.3
268.22791	0.6
269.15402	1.2
286.23849	100.0
287.16492	14.0
287.24203	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	287.0558
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
54.78368	6.3
59.01257	13.8
68.89197	6.1
69.48372	48.6
71.01263	6.2
74.64755	6.6
85.46262	7.2
93.03322	12.7
95.04895	6.2
98.20512	13.4
103.36955	6.0
108.02053	13.6
109.02802	18.9
117.07010	11.6
121.02844	14.9
123.00739	11.1
124.01537	5.8
125.02299	9.2
130.04156	6.6
131.04944	9.4
136.01555	7.3
137.02345	10.0
143.04926	14.6
145.06497	10.5
157.06487	7.8
169.06500	25.4
171.04408	16.1
171.07986	7.3
173.06003	16.0
177.01852	11.8
181.06625	7.9
187.07523	10.2
197.06006	35.6
199.07600	8.2
215.07019	19.4
224.04636	8.9
225.05481	42.0
226.06212	8.8
241.04953	9.8
243.06573	100.0
243.17484	8.5
265.98203	5.9
269.04501	26.5
281.97171	6.2
287.05585	93.8
287.13147	8.0
287.16449	36.6
287.22260	26.2
288.06128	8.2
289.06140	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	287.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.9
58.97067	0.3
59.01258	1.8
69.03327	0.4
70.72722	0.7
70.73111	0.7
71.01257	0.6
83.04915	0.5
89.02316	0.9
91.03904	1.6
91.22200	0.4
95.04915	0.6
97.06448	2.6
115.47471	0.4
125.02423	0.4
133.10178	0.4
149.09576	0.4
151.11180	16.3
152.11606	0.5
161.81299	0.3
169.12244	100.0
170.12602	4.3
195.10176	5.0
213.11249	20.0
214.11552	1.1
245.13991	0.4
255.12407	0.4
287.14932	20.7
288.15292	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	287.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.9
59.01248	2.4
69.03310	0.5
69.24906	2.3
69.25325	0.8
71.01270	0.4
72.97138	0.3
73.68253	0.3
83.04925	0.3
89.02316	1.0
91.03870	2.0
95.04914	0.6
97.06464	2.7
102.00183	0.3
114.40041	0.3
124.43626	0.3
125.09634	0.5
133.10158	0.4
149.09645	0.3
151.11183	15.1
152.11507	0.8
163.60019	0.3
167.13940	0.3
169.12250	100.0
170.12585	4.5
176.01035	0.6
185.11800	0.3
195.10178	4.6
213.11263	20.5
214.11594	1.1
287.14966	21.8
288.15250	1.1
291.88431	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	287.1652
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
57.03317	0.7
59.01242	1.7
69.55565	2.5
69.74809	0.3
71.62928	0.4
87.04385	0.4
95.59193	0.3
97.06460	1.4
97.98144	0.3
98.20542	0.4
102.04625	3.0
115.05427	4.5
117.06983	100.0
118.07304	3.6
119.08527	1.4
123.08035	1.1
125.09611	11.0
143.04950	0.9
157.06516	0.7
169.08640	0.4
184.64125	0.3
196.01726	0.3
225.16406	0.4
228.15224	0.3
241.15875	0.5
243.17442	1.7
269.15436	1.1
287.16507	71.2
288.16864	6.7
296.05609	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	287.1653
Annotation	Estriol
Peak:m/z	Relative Intensity
51.32364	0.2
57.03320	0.3
59.01241	0.9
71.39138	0.4
71.39486	0.4
78.08910	0.2
79.05411	0.4
94.98942	0.2
97.06460	2.1
102.04623	3.6
109.06392	0.3
115.05410	4.3
117.06985	100.0
118.07316	4.4
119.08533	1.0
123.08049	1.2
125.02313	0.4
125.09610	11.7
126.09937	0.6
143.04950	1.4
144.05724	0.3
157.06543	0.9
159.08078	0.3
169.08463	0.3
187.09738	0.3
189.12808	0.4
225.16374	0.5
243.17497	2.3
269.15433	1.4
287.16519	79.7
288.16876	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	287.1653
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
51.45887	0.3
57.03316	0.5
59.01245	7.3
65.03804	0.4
67.48606	0.3
71.01237	0.5
71.04894	0.4
71.30121	0.5
71.30474	0.4
80.02555	0.7
81.03321	1.9
83.04886	1.6
93.06936	0.5
95.04891	6.9
97.06470	1.1
100.60878	0.4
106.04129	1.9
107.04907	3.1
108.03041	0.3
109.05702	0.5
109.06463	10.7
110.06778	0.5
111.04469	0.5
111.08015	1.0
111.57589	0.3
117.06964	0.6
119.04892	0.7
119.08546	1.1
120.05614	0.4
121.06480	4.2
121.10111	2.3
123.08042	6.3
127.07491	0.8
130.89351	0.3
131.04893	0.5
132.05673	0.6
133.10083	1.6
135.08034	2.7
135.11674	0.8
137.09622	0.8
141.09116	0.5
145.06459	1.5
146.07173	0.5
146.87357	0.3
147.08061	3.4
148.07524	0.7
149.09599	4.8
151.11124	0.4
157.06450	0.6
158.07298	0.4
159.08051	1.4
161.09590	2.3
163.07610	0.5
163.11159	0.8
171.08028	0.7
172.08810	0.4
173.09636	1.5
174.10378	0.6
175.07397	0.4
175.11189	2.4
177.09143	1.2
179.48045	0.3
180.30602	0.4
185.09651	1.1
186.10428	1.0
187.11156	1.2
188.11906	0.4
189.12767	8.2
190.13120	0.3
191.10716	0.8
201.12769	0.6
201.16441	0.4
202.13655	0.4
208.41371	0.4
213.12787	0.8
214.13438	0.4
215.14322	1.4
215.18034	0.4
225.16388	1.0
227.14325	0.6
241.15923	1.2
243.17485	37.6
244.17812	2.9
269.15439	2.7
285.14856	0.5
287.16492	100.0
288.16870	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	288.1602
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01251	2.4
65.03822	0.5
71.58950	0.6
81.03335	1.1
92.04913	1.0
93.03339	1.4
97.06396	0.3
107.03639	0.4
108.02022	0.6
108.04418	4.7
109.02832	5.1
119.08553	7.5
121.02848	0.6
124.01513	0.5
125.09606	1.2
134.02367	36.2
135.03163	7.6
136.03935	39.2
137.02330	1.3
137.04272	1.4
148.03966	1.0
148.82028	0.3
149.03616	0.4
149.04771	1.2
168.76006	0.4
176.03450	4.6
177.04222	1.0
181.03749	0.6
190.04990	0.6
191.14284	0.6
196.86853	0.3
222.97218	0.4
229.15482	0.3
245.19167	0.6
260.16464	0.5
270.64175	0.3
271.17007	0.5
282.29584	0.4
288.16040	100.0
289.16119	4.0
289.18149	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89305	0.9
56.36648	1.0
57.03312	2.3
59.01250	3.9
69.03327	1.8
70.18581	0.9
71.04878	1.8
71.59024	1.4
77.63515	1.0
81.03341	1.1
83.01258	4.3
83.04845	1.4
94.26382	1.0
95.04865	1.3
97.06472	1.8
109.06455	1.1
111.08026	2.2
111.21940	0.9
120.99541	31.5
125.09585	3.6
139.11197	6.6
140.11668	1.0
151.11191	1.0
153.09186	1.1
163.11212	3.0
165.12762	5.1
181.12234	2.2
183.10199	1.2
191.10706	4.8
209.11754	25.4
210.12004	2.5
235.09688	1.4
245.19048	2.2
253.10788	100.0
254.11169	7.6
289.08441	47.3
289.17990	11.7
290.08762	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	289.1808
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.82766	1.0
59.01240	4.9
64.88271	1.0
65.03819	1.8
67.81805	1.1
71.14760	1.6
71.15164	0.9
78.95827	1.0
83.04904	1.2
84.18768	1.1
97.06454	2.8
98.52670	1.1
109.06484	3.0
119.08549	72.9
120.08859	2.2
123.08053	1.7
125.09598	13.8
149.09612	1.4
151.11214	1.6
164.87222	1.3
191.14424	1.1
233.15480	3.4
245.19044	8.8
271.17090	1.4
289.18076	100.0
290.18341	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	289.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63633	0.4
57.03300	0.7
59.01248	5.7
59.99911	0.4
65.03818	1.4
71.58639	0.6
80.02502	1.2
83.04887	1.2
95.04872	1.3
97.06453	2.5
98.74323	0.5
106.04106	1.2
109.06478	3.9
111.08060	0.5
119.08546	58.1
120.08900	2.5
123.08028	1.6
125.09603	10.8
143.10591	0.5
145.06516	1.3
148.08833	0.6
149.09602	1.6
151.11186	2.2
159.08015	0.9
163.11169	0.6
163.96545	0.5
165.12762	0.6
177.12708	1.2
187.11215	1.1
191.14380	3.0
192.04121	0.7
202.98532	0.5
203.14491	0.5
215.04198	0.4
216.15018	0.5
217.15901	1.1
227.17915	0.8
233.15385	2.0
245.11816	0.5
245.19060	17.3
246.19395	1.5
271.17108	2.5
273.14682	0.6
287.16592	1.0
289.18076	100.0
290.18454	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	289.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32521	0.6
57.03330	3.7
59.01250	5.9
63.85471	0.7
64.39449	0.7
69.03320	2.0
70.04713	3.0
70.39035	0.6
83.04892	2.2
88.23973	0.7
93.03308	1.1
95.04882	1.2
97.06474	1.5
107.08537	19.9
109.06451	1.0
118.41195	0.6
119.08543	4.3
125.09641	0.7
135.08038	1.7
137.09621	10.8
149.09616	1.7
151.11176	2.9
153.09018	0.7
153.12708	1.0
155.10661	1.1
163.07596	0.7
175.11087	0.9
177.12700	1.1
181.08662	0.7
191.14333	1.9
192.28255	0.6
195.13800	0.9
197.11707	5.0
202.98444	0.8
217.02974	0.7
232.96835	0.7
245.19081	9.8
246.19363	0.7
271.17078	3.3
289.18066	100.0
290.18307	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	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.00704	0.9
57.03315	2.4
59.01243	5.6
63.91558	1.0
67.01773	1.0
70.73895	0.9
72.10149	0.9
83.04884	2.0
93.03278	1.1
93.56840	0.9
107.08543	15.2
131.04883	1.3
135.08047	1.4
137.09648	6.7
146.07201	1.4
148.08809	1.0
149.09583	1.6
150.04764	1.1
151.11188	2.2
170.56998	1.0
191.14276	3.0
197.11754	2.9
229.15910	1.1
245.19063	16.4
246.19276	1.0
247.17026	1.4
271.17078	3.2
289.18082	100.0
290.18317	7.4
293.12125	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	289.1808
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
58.99725	0.4
59.01242	0.7
71.14625	0.5
71.14970	0.9
89.16123	0.5
110.68617	0.4
149.72089	0.4
156.89590	0.4
192.64363	0.4
213.25934	0.4
229.15970	3.1
257.15414	8.0
289.18073	100.0
290.18411	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	291.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97874	1.1
58.99466	2.0
61.98666	1.4
68.02406	9.5
70.66657	3.7
85.02841	2.8
87.00742	3.7
89.00535	3.3
93.03337	1.1
113.04192	3.5
117.03345	1.8
119.04910	86.0
120.05244	2.0
120.99543	19.6
127.07504	1.0
145.02826	4.5
157.06813	2.2
159.08394	100.0
160.08708	3.4
161.62215	1.1
162.47536	1.0
163.03911	82.3
164.04214	3.3
180.17039	1.1
185.06287	2.3
203.07387	12.4
209.65065	1.2
229.08865	2.7
247.10057	7.2
273.07996	2.7
278.27292	1.1
291.09042	82.6
292.09268	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70272	0.6
57.03324	0.9
59.01248	20.1
59.01529	1.4
68.02406	26.4
68.02754	1.6
69.03328	7.1
71.01244	10.3
71.04882	1.4
71.58884	1.1
72.92946	0.9
78.21057	0.7
83.04913	1.3
93.03331	1.1
94.24769	0.7
95.04925	1.6
101.02332	0.8
103.97242	0.7
106.96821	0.7
109.06499	0.9
111.08054	1.7
119.04907	1.3
121.02832	2.1
147.06506	1.0
151.20522	0.8
153.09131	2.0
163.11214	1.7
165.09068	1.0
165.12737	6.0
173.09605	1.1
181.12262	7.9
182.63010	0.9
191.10710	13.5
209.11758	100.0
210.12080	4.4
231.09987	21.4
232.10329	2.0
247.20657	1.7
249.38133	0.8
255.72487	0.7
273.18597	0.9
291.12363	7.5
291.16232	1.5
291.19611	34.6
292.20074	2.0
307.37164	0.7
309.98276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1971
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03328	2.1
59.01231	1.7
60.34371	0.4
68.02406	16.4
69.45034	3.5
71.01233	0.8
83.04887	0.7
85.02808	0.5
97.06476	0.9
98.19817	0.8
107.08538	9.0
108.08881	0.4
111.08023	1.1
119.04836	0.6
121.02840	1.0
121.10094	2.0
123.08067	0.7
125.09610	1.8
127.07491	0.4
133.06520	0.6
135.08043	0.5
137.09644	0.8
139.11183	5.7
147.06516	0.5
151.11244	0.7
153.09099	0.7
153.12715	0.5
155.14442	0.4
161.34407	0.4
165.12718	1.1
167.10675	4.0
182.69424	0.4
183.10226	1.1
185.11749	1.2
191.14211	0.6
193.16026	0.4
197.11763	0.6
199.11618	0.7
199.13339	5.6
201.11292	0.6
211.13307	0.5
223.13364	0.7
247.02383	0.7
247.16968	1.1
247.20596	2.1
263.20139	1.0
273.18576	2.9
291.19635	100.0
292.19946	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94636	0.7
70.03761	1.0
70.04168	1.8
119.04938	0.8
127.82693	0.5
147.80980	0.5
150.10387	1.2
163.11176	0.8
165.11343	1.0
165.12749	19.5
166.13091	1.3
215.68988	0.7
217.16103	0.7
247.20616	8.8
248.20894	1.0
273.18604	5.5
291.19638	100.0
292.19931	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16618	0.4
59.01249	0.6
68.02412	2.5
71.45753	0.6
103.53496	0.3
109.06420	0.6
112.23855	0.3
118.82333	0.3
119.04898	0.9
127.07568	0.6
139.07576	0.4
145.40802	0.4
148.08820	1.5
149.09531	0.5
150.89787	0.3
151.11192	2.2
153.12701	1.1
163.11110	0.9
165.12750	3.2
174.17336	0.3
175.11157	1.0
177.12769	1.3
200.74359	0.3
203.14372	0.9
219.17409	0.5
221.11516	0.4
224.93808	0.3
237.14851	0.6
247.20619	6.0
273.18555	2.0
291.19641	100.0
292.19980	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	291.1967
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
57.03319	1.7
57.46811	0.3
59.01235	0.6
68.02393	1.5
71.22667	0.5
77.13429	0.3
83.04869	0.5
84.74052	0.3
85.21461	0.4
93.06973	1.2
97.06464	1.5
107.08479	0.4
109.82204	0.3
111.08061	0.5
121.10114	14.6
122.10443	0.3
123.08071	1.8
125.05919	0.4
125.09608	9.3
125.10516	0.6
127.07552	0.4
141.12746	1.4
141.52676	0.4
147.08093	0.8
149.57147	0.4
149.71806	0.3
163.11195	0.5
165.12794	0.7
171.10143	0.5
185.11757	14.7
186.12097	0.6
197.11757	4.0
209.11839	2.0
211.13406	1.8
223.13344	1.2
247.20639	1.9
273.18597	1.9
277.77063	0.3
289.18057	0.4
291.19647	100.0
292.19962	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	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
68.02407	7.3
68.41891	0.4
71.22258	0.9
73.02816	61.1
74.03156	1.0
85.95410	0.4
147.05287	0.4
161.88106	0.4
165.12733	0.5
291.19644	100.0
292.19965	8.5
292.23199	0.5
293.65939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
57.03307	1.0
59.01238	3.1
62.47449	0.9
67.23727	1.0
68.02406	17.6
69.73575	6.5
71.01250	2.8
73.02842	1.3
84.69872	1.0
95.02869	0.9
97.06464	60.9
98.06818	1.6
107.08537	7.5
121.02860	1.0
139.11183	3.9
150.74306	0.8
153.52690	1.0
165.12849	1.0
171.10150	2.5
183.13820	1.8
193.10675	1.5
193.12273	17.2
194.13020	1.2
199.13332	4.5
211.13347	38.4
211.15379	2.0
212.13708	2.4
247.20877	1.7
263.20102	2.6
273.18555	3.6
291.19647	100.0
292.20023	7.7
293.20728	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14217	0.3
53.75835	0.3
57.03312	1.1
59.01238	1.6
68.02404	5.9
69.03313	0.6
71.04890	0.6
71.45589	0.3
71.45941	0.6
80.02541	0.7
81.03329	0.5
83.04893	0.6
85.02905	0.3
93.06948	0.4
97.06470	0.8
107.08525	0.4
111.08072	0.5
119.04897	0.4
119.08555	5.2
121.02891	0.6
121.10107	1.6
123.08022	0.4
125.09615	1.1
127.07500	0.5
137.09619	1.4
139.11195	0.7
148.08813	0.7
149.09637	0.8
151.11200	2.7
153.12737	1.0
156.13878	0.8
163.11183	0.9
165.12807	1.7
169.12183	0.5
171.10179	4.6
172.10567	0.7
175.11191	1.0
175.14792	0.3
176.11908	0.4
177.12704	0.5
179.14348	0.9
185.11732	1.9
189.12836	0.3
191.14413	0.4
193.15898	0.5
197.11737	1.0
203.06978	0.4
203.14371	0.5
209.11761	0.6
211.13379	1.0
214.86603	0.3
223.13280	0.6
229.19485	2.0
233.15050	0.3
245.19028	0.5
247.16977	0.3
247.20633	4.7
248.21036	0.4
255.17349	0.5
263.20154	1.5
273.18594	8.2
274.18790	0.8
291.19641	100.0
292.19968	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	292.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	11.2
65.31056	1.3
68.02406	54.8
69.88222	6.7
71.01249	4.9
72.99184	2.1
80.41738	1.2
82.02850	1.5
85.02836	3.0
85.06471	2.5
89.02331	5.7
93.03326	1.8
96.95857	1.3
101.02343	5.8
102.05474	36.4
113.02314	1.3
113.05947	1.8
117.03348	5.3
119.03503	2.6
119.04912	99.6
120.05262	3.6
126.99458	1.7
128.03421	54.2
129.03764	2.1
131.07027	13.5
135.04500	1.4
135.35002	1.3
145.02852	35.5
146.04482	100.0
147.04619	2.5
149.06023	1.1
162.05498	1.5
163.03908	15.9
172.02396	2.1
176.03378	3.1
202.08650	5.4
204.10263	2.9
230.08153	2.7
248.09250	3.6
274.07181	10.5
292.08304	22.5
293.08987	2.6
293.12369	16.9
303.19650	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	292.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.4
64.58485	0.5
67.01755	4.2
68.01288	14.4
68.02407	47.9
68.99719	0.6
69.03323	100.0
70.03658	1.6
71.01249	0.8
81.02064	0.9
83.04880	0.8
84.04417	20.0
85.02813	1.5
93.03346	1.2
100.03928	10.5
102.05485	2.6
108.04411	1.7
110.06000	11.4
119.04912	0.8
120.04462	3.3
124.03886	0.8
126.99445	1.6
128.07054	1.0
130.04097	0.8
131.03566	0.7
131.04950	0.9
134.03632	2.5
135.04332	1.1
142.08638	2.3
144.04462	1.0
146.06009	2.2
147.04411	1.6
148.07544	1.8
152.08173	0.8
154.05003	8.2
168.06581	3.0
172.03970	1.2
173.37140	0.6
174.05516	20.5
175.05817	0.7
177.01788	0.8
178.02605	1.2
178.08650	1.4
179.03412	0.8
179.07013	4.7
186.07632	8.7
192.06567	3.6
206.08156	20.3
207.08519	0.7
216.10120	1.5
222.07642	1.3
223.08464	0.9
229.18451	0.8
248.12885	2.7
260.09073	0.8
292.11929	16.5
292.19873	1.3
293.12469	0.8
293.17609	1.7
293.21136	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.8
55.35557	0.5
57.03308	0.6
58.00457	1.5
59.01249	32.9
63.62445	0.4
69.03326	0.6
69.53337	2.1
69.53764	1.6
69.88898	0.5
71.01251	16.2
72.99184	1.6
73.02815	1.1
83.01256	1.2
85.02820	4.3
85.05930	0.6
85.06454	13.0
87.00735	0.8
89.02316	18.6
95.01244	1.5
101.02322	10.9
113.02324	6.4
113.05968	5.4
115.07536	1.4
119.03384	5.4
127.07523	2.2
129.09076	0.6
131.07030	48.4
132.07368	1.4
143.03365	0.6
173.08076	1.8
179.05507	1.0
249.63057	0.5
293.12408	100.0
294.12683	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32161	0.4
55.01744	0.4
58.00458	1.7
59.01250	31.1
68.02416	0.4
70.04414	1.1
70.04813	0.9
71.01254	17.1
72.99192	1.2
73.02824	1.1
83.01276	1.4
85.02815	3.5
85.06461	11.7
87.00764	0.8
89.02315	18.1
95.01263	1.1
99.00764	0.4
101.02326	12.2
107.91083	0.3
110.03945	0.4
113.02322	7.2
113.05968	3.4
115.07558	1.7
119.03386	7.2
127.07533	1.6
131.07034	57.4
132.07372	1.3
161.04468	0.7
173.08105	1.9
179.05496	1.0
263.00879	0.4
293.12424	100.0
294.12796	5.2
299.34845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.9
57.03308	0.5
58.00459	1.3
59.01248	44.2
63.59988	0.4
67.95624	0.5
68.19072	0.4
71.01251	20.0
72.01596	0.6
72.99192	1.2
73.02818	1.1
83.01257	1.3
85.02815	5.4
85.06459	15.7
87.00761	1.6
89.02312	22.7
95.01262	1.9
97.98168	0.4
98.20662	0.6
99.08061	0.5
101.02320	14.6
102.02661	0.4
113.02316	9.1
113.05962	4.6
115.07492	2.2
119.03374	8.6
120.03750	0.4
127.07549	2.2
129.09064	0.5
131.07027	72.9
132.07344	2.2
134.18192	0.4
143.03378	0.8
145.08591	0.4
161.04448	0.6
173.08098	2.6
179.05554	1.3
196.68947	0.5
239.92274	0.4
293.12405	100.0
294.12704	5.3
300.10190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01250	15.3
59.56909	0.4
68.02406	17.0
69.02115	0.6
69.02740	0.9
69.03326	0.6
71.01247	0.7
71.59217	0.5
80.06349	0.4
82.12925	0.4
83.04869	0.7
89.02343	0.5
95.04917	0.9
96.95888	2.0
105.28259	0.4
109.06463	0.7
124.05451	0.4
131.03435	0.4
136.05136	0.4
139.11192	0.4
165.12665	0.9
167.05350	0.4
167.14352	1.1
183.13824	8.3
184.14124	0.6
193.12253	2.7
211.13332	100.0
212.13708	5.4
220.14624	0.6
221.15381	0.8
231.17482	0.5
233.11549	12.7
234.11819	1.0
251.34488	0.4
275.16556	4.9
276.16849	0.6
293.08936	0.8
293.13718	6.5
293.17581	2.6
293.21158	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	293.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13748	0.2
63.58518	0.2
68.02408	1.5
70.48608	0.9
71.01249	9.0
93.65149	0.2
95.37177	0.2
102.06178	0.2
108.34610	0.2
123.08006	0.2
127.07529	0.8
136.05170	0.2
138.73744	0.2
148.05132	1.1
151.07538	0.3
164.08293	1.5
177.09129	5.7
178.09335	0.3
180.06743	0.2
190.09972	0.3
192.11478	7.0
193.12003	0.6
205.12277	7.2
207.13812	1.3
217.08673	0.3
218.09406	1.7
220.14627	49.7
221.15399	100.0
222.15755	6.3
235.13242	1.3
236.10487	72.4
237.10881	4.6
273.37216	0.3
275.16476	0.2
278.46722	0.2
293.14124	0.9
293.17578	8.5
293.21106	1.0
294.17828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Dendocarbin K
Peak:m/z	Relative Intensity
57.03315	1.2
59.01253	2.4
61.98668	0.5
65.12297	0.5
68.02409	11.2
69.02749	0.5
71.01244	2.3
71.58405	0.4
83.01251	0.5
89.02312	0.7
93.86668	0.5
94.40413	0.5
96.95887	0.5
99.00730	3.1
109.06496	0.6
113.02296	0.5
113.09599	2.1
131.07001	0.5
136.08827	49.7
137.09178	1.5
152.91647	1.6
161.04547	0.7
166.90976	1.0
171.10202	0.5
177.09119	3.4
177.12756	0.7
183.13841	3.0
192.11475	32.7
193.12088	2.1
193.15895	100.0
194.16240	5.0
194.92702	1.1
195.13773	0.6
210.89946	1.1
211.13319	1.4
220.14655	3.5
221.15378	8.2
236.10495	5.5
249.18552	33.0
250.18835	1.4
265.21988	0.8
275.16574	0.6
275.20187	1.4
293.17566	41.2
293.21188	27.4
294.17929	3.5
294.21573	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65736	1.2
57.03291	1.0
59.01252	1.8
68.02393	1.5
69.95618	4.0
69.96029	2.2
98.97340	1.2
100.71968	1.0
109.06459	1.9
109.70763	1.4
113.09599	2.1
167.10582	1.6
167.23766	1.0
171.10190	1.1
181.12212	1.4
183.13821	26.2
185.96426	1.0
195.13812	10.0
200.26421	0.9
205.12189	1.1
211.13312	7.3
223.13353	8.2
228.13496	1.2
237.79883	1.4
256.13104	2.2
265.21680	2.6
275.20135	14.2
293.21210	100.0
294.21399	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03300	0.6
60.46730	0.5
68.02406	0.8
69.03331	0.7
69.61478	4.4
72.99171	0.8
83.04891	0.7
86.10090	0.5
96.95880	2.4
107.07596	0.7
107.35871	0.6
120.65099	0.6
125.09637	0.9
139.11142	3.5
153.12700	1.9
191.17972	3.1
199.13214	0.6
245.18867	0.6
247.20595	3.6
264.01840	0.5
268.81656	0.6
275.20038	0.7
293.21198	100.0
294.21494	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03051	0.4
57.03313	1.3
59.01250	1.9
64.43906	0.3
64.63946	0.3
65.18968	0.4
68.02406	7.5
69.02725	0.6
69.03328	0.5
71.01244	1.4
71.56345	0.4
71.57713	0.6
75.56143	0.4
83.04909	0.6
84.14843	0.3
89.93537	0.4
92.99435	0.7
97.06450	0.5
104.49379	0.4
104.85989	0.4
115.99488	0.4
117.41722	0.5
123.08057	0.9
125.09580	0.4
139.11169	1.1
151.11165	2.4
153.09149	0.8
153.12689	0.5
169.12228	2.2
171.10156	1.1
177.12685	0.6
192.11398	0.7
193.15898	1.3
197.11755	28.1
198.12086	1.5
205.12196	0.4
211.13295	0.7
213.14780	0.5
220.14603	1.9
221.15379	3.8
231.21114	1.0
236.10489	2.6
249.18570	0.7
249.22232	0.9
275.20129	15.8
276.20468	0.7
292.98438	0.7
293.21198	100.0
294.21500	8.1
308.28467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45543	0.8
59.01246	5.4
68.02407	28.5
68.10712	0.9
69.02741	1.7
70.88263	1.2
70.88605	2.1
71.01241	2.6
71.04899	1.2
75.02502	0.9
89.02312	1.5
89.05617	0.8
96.95918	1.9
101.02348	1.0
121.10150	1.4
128.86642	0.9
136.08852	1.2
139.11166	1.0
151.11217	1.4
152.91702	1.6
169.12265	1.5
170.81609	0.8
171.10182	2.4
183.10191	1.1
192.11421	1.4
193.15923	3.6
194.92787	1.3
197.11751	9.9
201.59283	0.9
205.12344	1.2
209.15474	1.8
220.14629	5.8
221.15404	12.7
231.21130	1.1
235.17000	7.0
236.10486	9.7
249.18602	3.7
249.21053	0.9
263.20154	2.9
275.20126	25.4
276.20441	2.1
277.40134	1.0
293.09137	1.7
293.17578	3.6
293.21152	100.0
294.18607	0.9
294.21539	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.6
60.70213	1.1
69.80443	4.2
69.80862	3.0
74.18166	1.1
77.99122	1.1
96.65459	1.2
121.10112	41.0
125.09591	1.9
127.07517	1.2
171.10178	74.7
172.10524	2.6
177.16409	2.1
183.13791	9.0
185.11766	4.1
211.13362	1.7
231.21101	5.7
260.20050	1.2
260.22705	1.2
264.88412	1.2
275.20129	100.0
276.20499	7.7
279.99219	1.3
293.21204	82.3
294.21524	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31090	0.6
56.07779	0.5
59.01220	1.0
60.43854	0.7
70.92567	1.1
70.92910	1.0
94.78783	0.5
105.21062	0.6
107.99093	0.5
113.09638	0.6
179.14317	1.0
190.81714	0.7
195.13828	14.1
196.14517	1.7
205.12276	1.2
211.13306	1.0
223.13303	10.9
224.13846	1.1
228.13623	2.3
256.13120	5.3
270.60699	0.6
275.20166	9.0
276.20352	0.7
293.21201	100.0
294.21561	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.7
68.02412	4.7
71.08073	1.0
71.08428	0.7
72.77028	0.4
73.69030	0.5
87.66437	0.4
87.90711	0.4
105.55535	0.4
114.12663	0.5
121.10110	0.8
127.32630	0.5
145.54764	0.5
147.70068	0.4
150.10353	1.6
165.12738	1.6
171.10139	1.4
179.14301	0.5
195.13788	0.5
220.14651	0.7
221.15352	1.9
230.74947	0.5
236.10435	1.0
249.22238	4.8
250.22453	0.6
275.20224	2.3
293.21191	100.0
294.21539	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37572	0.2
68.02412	1.3
70.00770	1.1
70.51716	0.2
71.01263	0.4
96.95911	0.3
98.20583	0.3
121.10059	0.4
128.40738	0.3
151.11157	0.6
158.75206	0.2
159.31865	0.2
171.10159	0.4
177.12759	3.9
178.13477	0.9
179.14325	0.4
192.11479	0.3
193.15916	0.5
195.48462	0.2
220.14661	0.3
221.15347	0.7
223.13425	0.3
236.10538	0.5
249.22154	3.3
264.17709	0.2
265.21646	0.3
275.20142	1.1
293.21198	100.0
294.21518	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	6.2
59.01241	3.4
64.17974	0.8
69.30271	8.1
76.40675	0.7
97.06448	1.5
109.06506	1.2
113.09600	25.2
121.10110	2.3
139.11151	2.2
156.47983	0.8
167.10646	1.6
171.10135	3.3
179.10698	1.8
190.15240	0.8
195.13838	4.5
209.19672	0.8
249.22188	2.5
275.20142	6.4
293.21204	100.0
294.21555	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.1
70.46482	1.8
72.33376	0.4
72.34971	0.4
80.58511	0.5
90.73513	0.5
97.06489	1.2
100.15975	0.5
104.02740	0.5
123.07988	0.6
124.06126	0.4
125.09596	4.0
127.09707	0.4
141.12776	1.1
149.09601	2.2
185.11775	8.1
197.11761	2.1
275.20032	0.5
293.21204	100.0
294.21558	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
59.01235	3.7
68.02401	5.6
70.82462	2.7
71.01252	2.0
78.48650	0.9
94.97247	1.0
96.71747	1.1
96.95884	11.3
99.08031	67.3
99.84896	1.1
100.08355	1.7
141.27150	0.9
149.13242	2.4
161.04483	1.4
191.10721	1.1
192.11438	1.6
193.12265	39.7
194.12753	2.7
195.13721	1.2
205.12242	1.2
211.13347	9.7
220.14613	1.8
221.15324	3.2
236.10481	3.0
265.21680	1.8
275.19943	1.8
284.04413	1.0
293.18005	7.1
293.21182	100.0
294.18716	1.3
294.21588	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03078	0.5
57.03325	6.2
59.01249	3.2
64.45053	0.3
68.02400	2.9
69.86270	1.8
70.49641	0.3
71.01215	0.6
74.88345	0.3
83.04892	0.6
86.61597	0.4
91.36610	0.3
93.97388	0.3
95.04891	0.4
96.95958	0.3
97.06457	1.3
109.06475	0.7
113.09602	21.1
114.09884	0.4
135.11671	0.4
139.11166	2.3
149.09628	0.9
165.65207	0.4
167.10667	2.7
177.12727	0.9
179.10693	2.6
195.13805	3.6
195.17410	0.4
220.14595	1.3
221.15395	3.1
236.10533	1.8
249.22241	2.3
275.19861	0.5
293.21216	100.0
294.21536	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	294.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.2
61.02503	0.4
61.98699	3.9
66.03328	0.4
68.01262	0.6
68.02406	9.9
71.07743	0.3
71.14341	0.6
71.14706	0.9
79.95575	0.5
80.25203	0.4
85.02821	3.8
95.95087	2.2
96.95887	1.5
103.04156	0.9
104.04936	7.4
112.64072	0.4
116.04907	1.3
118.06510	1.1
119.04887	0.8
122.02348	1.4
122.05973	0.7
123.08000	0.5
124.03896	0.5
130.06497	1.6
132.04437	1.8
132.08089	4.8
134.03642	0.6
134.06001	0.9
135.04117	0.5
136.07552	1.5
137.04718	6.4
146.06000	0.8
148.03938	20.2
149.04475	0.6
162.05482	0.8
164.07079	15.0
165.07455	0.5
169.03708	10.8
176.07080	14.8
177.07303	0.4
178.02542	0.6
178.08640	31.2
179.03043	0.6
179.08994	1.4
188.10324	0.4
190.25616	0.4
206.15562	0.5
208.09715	100.0
209.10078	4.5
219.41472	0.4
250.14497	0.6
277.18170	0.5
294.13464	25.5
295.13773	1.2
295.18869	0.8
296.85907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1709
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
59.01236	1.7
68.02036	0.8
68.02402	14.3
69.80255	2.7
71.04892	1.1
83.04884	1.4
85.02805	1.7
85.06463	2.6
96.95882	0.7
98.20569	0.6
98.31094	0.5
101.02328	0.5
109.06507	0.5
113.95376	0.4
121.02846	0.5
134.09644	1.5
146.09598	1.2
148.11255	0.9
162.12788	7.0
164.14340	18.6
172.11279	1.2
190.12283	27.0
191.12675	1.1
206.15486	2.9
208.13353	31.4
209.13661	1.5
232.17007	46.8
233.17361	3.1
250.18047	1.9
276.16013	20.8
277.16159	1.4
294.17072	100.0
295.17389	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	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97395	1.4
57.03322	2.1
58.00465	2.7
59.01247	55.2
70.25163	1.5
70.26452	6.0
71.01249	32.6
71.04865	2.0
72.99194	3.9
73.02812	2.8
74.43944	1.9
75.00741	26.3
83.01238	1.8
85.02818	8.2
87.00745	4.2
88.03915	1.6
89.02312	29.5
95.01289	2.4
101.02309	21.5
105.05011	1.7
113.02325	10.7
115.00239	2.5
115.03925	8.5
115.04612	1.5
119.03371	15.9
132.02907	2.8
133.04961	6.3
137.39754	1.4
139.73212	1.8
143.03444	2.0
161.04471	2.4
179.05475	3.8
191.33376	1.9
237.06076	15.2
295.10333	100.0
296.10873	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	295.1185
Annotation	Amotin
Peak:m/z	Relative Intensity
55.01747	1.4
56.00127	0.8
57.03327	10.8
57.85516	0.9
59.01249	5.3
62.32988	0.7
65.88834	0.7
66.14067	0.7
66.84705	0.8
68.02391	2.3
69.03322	5.3
69.28104	8.1
71.01248	5.1
71.04881	2.1
72.99158	1.3
73.02808	1.7
79.41195	0.7
80.02533	1.0
81.03325	1.6
83.04880	6.4
85.02816	6.6
85.06454	1.0
87.00762	1.0
92.55489	0.9
93.03324	2.2
93.06959	1.5
95.01253	1.5
95.04897	26.5
96.95873	1.7
97.02811	2.2
97.06522	0.9
98.03596	3.3
98.20502	1.6
107.04910	3.2
107.49346	0.7
109.02825	4.0
109.06429	3.6
111.04398	22.3
111.08044	4.0
113.02299	2.6
113.05968	30.0
114.06305	0.9
115.00253	11.1
115.03909	4.8
119.08527	0.9
120.05668	1.3
121.02757	0.9
121.06471	8.7
121.10122	1.4
122.03613	3.0
123.08048	6.8
124.05177	2.5
125.02341	0.9
131.08528	0.8
133.01323	26.9
133.02832	1.2
133.06477	2.8
135.04439	4.6
135.08037	3.4
137.05972	7.2
137.09627	4.8
138.06721	2.4
139.07549	7.5
141.00078	0.9
141.09081	1.3
145.10159	1.4
147.08064	2.9
147.11572	0.8
149.06044	1.5
149.09628	11.0
150.06773	0.9
150.09956	0.8
151.07573	3.2
155.07011	3.5
163.07582	1.0
163.11168	4.9
165.05481	1.0
165.09116	8.5
169.10074	1.2
171.11737	8.3
173.09616	1.7
174.10344	1.1
179.03391	3.5
187.11234	1.5
189.12762	97.2
190.13063	6.2
193.08672	1.4
207.13828	9.6
215.10664	1.2
233.11685	2.8
251.12845	100.0
252.13275	6.7
277.10770	1.6
295.08841	2.9
295.11841	74.3
295.80334	0.8
296.12247	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	295.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
68.02383	3.2
70.87184	7.9
70.87546	3.0
78.54597	2.7
88.66869	2.7
97.97533	2.8
101.02357	2.8
111.54927	2.8
112.68866	2.7
157.22107	2.9
212.21138	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	295.1913
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
51.74065	0.6
57.03322	0.7
58.93709	0.5
59.01247	4.3
64.24249	0.6
68.02434	1.8
69.03328	0.6
69.35404	5.4
71.04921	0.6
72.99180	0.6
74.99305	0.6
81.03348	1.8
83.04897	0.9
85.02840	0.5
95.04920	0.8
96.95912	0.9
97.02818	3.1
97.06550	0.6
109.06493	2.4
111.08048	0.5
123.04427	1.8
123.08052	1.1
127.07552	0.6
134.07248	0.8
137.05981	0.9
137.09631	4.4
138.06738	0.9
139.07553	1.5
139.11212	1.7
142.02663	0.9
142.05328	0.5
151.11142	0.7
155.10760	0.5
163.66539	0.6
171.10167	1.4
175.11151	0.8
177.12779	1.5
185.11725	1.7
195.13861	3.1
203.14267	0.7
211.13268	1.0
221.11726	3.4
221.15359	0.7
233.19008	6.3
239.12822	1.6
240.13635	1.0
259.17053	1.3
263.41528	0.6
277.18076	100.0
278.18393	7.4
291.50519	0.5
295.19122	44.6
296.19403	3.2
297.40887	0.6
297.90933	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	295.1914
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
50.12703	0.6
56.59119	0.8
57.03326	1.6
59.01247	6.7
59.80928	0.7
60.96976	0.7
68.02394	3.0
69.02734	0.8
69.03308	0.7
71.01254	1.9
71.58057	0.9
71.58448	1.3
73.02837	1.0
83.04879	0.9
84.02047	1.0
85.02810	1.5
92.64653	0.7
96.95903	0.8
97.02868	0.8
97.06444	1.0
101.02297	0.9
104.37389	1.0
115.28639	0.8
123.08015	3.3
125.09618	6.5
127.11135	1.7
133.01457	0.8
137.09612	1.3
139.11128	1.5
141.09099	2.4
141.12767	1.1
153.09151	2.2
161.04466	1.3
165.12813	1.1
169.12218	1.0
171.10187	4.3
199.09628	4.4
200.10515	5.3
201.11159	4.1
233.19109	5.8
249.18533	1.2
251.20102	3.6
259.17120	0.9
267.19565	1.5
277.18027	14.6
277.20947	1.2
278.18427	1.0
289.06784	0.9
295.08707	2.3
295.19125	100.0
295.22113	3.7
296.19489	7.3
309.92377	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	295.2276
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03320	1.2
58.21745	0.4
59.01239	1.7
68.02395	1.2
70.82735	1.5
83.04884	0.6
141.12801	1.2
151.11241	1.2
153.12759	0.8
166.81767	0.5
169.12234	2.8
197.11705	2.0
219.07001	0.5
251.23804	0.8
258.08185	0.5
274.26443	0.6
277.18378	0.7
277.21716	9.5
278.22241	0.5
295.22757	100.0
296.23184	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	295.2275
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.86403	0.9
55.53624	0.9
57.19858	0.8
59.01242	1.8
62.68490	1.0
68.54038	0.8
69.31216	6.5
69.31632	3.0
70.23944	1.0
97.88631	0.8
113.09612	3.5
179.14372	2.6
180.34238	0.8
195.13818	23.9
196.14197	0.9
251.24010	0.8
266.90530	0.8
277.21713	22.9
295.22772	100.0
296.23151	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03323	1.1
59.01245	1.6
59.80700	0.7
62.54365	0.6
66.41431	0.7
69.26192	8.1
85.12656	0.7
125.09591	1.3
141.12715	0.9
171.10170	36.4
172.10492	1.2
233.22517	0.9
277.21710	49.3
278.22046	3.2
295.22766	100.0
296.23141	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	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03306	1.6
59.01250	6.8
59.40775	0.7
66.55416	0.7
68.02401	2.5
71.01248	1.6
71.58762	0.6
71.59182	0.9
83.04896	0.8
101.02317	0.8
113.09579	0.7
123.00804	0.8
125.09610	0.9
135.96953	0.7
141.12680	0.7
143.07054	1.1
151.07584	0.9
151.11156	1.7
169.12234	0.7
170.05736	1.8
171.10164	25.9
183.10168	2.3
185.00644	0.8
192.42404	0.7
195.13795	5.6
216.50320	0.7
223.45525	0.7
233.19124	1.2
251.20103	1.5
255.53185	0.7
277.14999	1.6
277.18054	37.0
277.21667	38.7
278.18448	3.3
278.21805	1.5
295.19104	51.3
295.22714	100.0
296.19458	3.8
296.23068	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34151	0.6
57.03319	0.9
59.01234	2.4
62.78773	0.6
66.95705	0.5
86.95791	0.6
99.08049	1.0
103.29170	0.7
113.09580	3.1
177.12750	1.2
179.14374	1.1
183.13814	3.9
195.13823	28.2
196.14120	1.1
275.50778	0.7
277.21725	23.1
278.22098	1.6
293.21262	0.6
295.22754	100.0
296.23090	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	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.9
59.01242	2.6
70.61363	0.9
74.37097	0.9
94.24517	0.8
99.08022	2.0
112.99775	0.9
140.15251	0.8
155.14339	1.3
171.10182	53.4
172.10515	1.2
183.10196	3.5
195.13826	2.3
251.23622	1.1
277.21695	64.2
278.22037	4.2
295.22760	100.0
296.23151	7.7
296.37946	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	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.23687	0.3
51.80959	0.3
52.18368	0.3
54.58234	0.3
55.67868	0.3
59.01251	0.7
68.02379	0.4
70.82571	0.4
70.82896	0.7
72.99181	0.3
83.04897	0.3
88.82159	0.3
95.04905	0.5
97.06470	0.4
109.06473	0.6
122.76630	0.3
127.11182	1.2
139.11165	0.5
141.12755	9.0
144.34158	0.4
146.87396	0.3
155.14334	3.3
169.15834	0.4
191.17966	0.4
231.21182	0.4
241.98532	0.4
247.20746	0.4
249.22227	9.8
250.22557	0.6
277.21732	1.3
293.21106	0.4
295.22766	100.0
296.23120	6.7
296.26324	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	297.1189
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01754	2.9
57.03305	2.2
58.00456	2.1
59.01250	100.0
60.01572	1.4
64.73057	1.1
68.51019	1.0
70.42033	1.9
70.42390	3.2
71.01253	51.2
72.99170	2.8
73.02808	7.6
83.01244	4.4
85.02827	17.0
87.00755	2.2
89.02316	50.5
95.01262	2.5
99.00747	2.1
101.01685	2.2
101.02326	31.0
102.02660	1.2
103.03870	1.2
113.02329	20.3
114.97692	1.0
117.05457	1.8
119.03394	18.6
125.02351	1.0
131.03384	3.2
135.04369	1.6
135.06531	23.0
143.03404	3.4
149.04433	1.3
150.77660	1.0
157.58025	1.1
161.04472	14.3
179.05524	13.8
189.52553	1.5
237.09740	4.5
297.11905	44.3
297.24374	3.7
298.12177	1.4
316.25040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28600	2.1
55.01747	3.0
57.03314	1.8
58.00467	4.6
59.01248	100.0
70.29994	2.2
71.00891	3.6
71.01256	57.2
71.41614	1.8
71.57592	3.0
72.99175	4.8
73.02810	6.9
74.87602	1.9
75.00764	5.4
79.15215	1.9
82.26051	2.1
83.01278	2.7
85.02828	17.9
87.00761	3.7
89.02321	62.3
95.01273	4.2
99.00765	3.1
101.02316	33.8
113.02328	19.3
119.03405	15.6
121.02848	8.8
135.02832	5.3
135.04413	70.7
135.06516	31.6
143.03375	2.9
157.86264	3.3
161.04500	12.0
179.05525	12.2
181.04929	3.0
198.41942	2.4
297.08237	10.2
297.11819	35.6
297.24326	10.2
298.12189	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	297.1342
Annotation	Oligandrumin C
Peak:m/z	Relative Intensity
57.03317	2.3
58.23797	0.5
59.01247	4.6
71.01235	1.1
71.59244	0.8
72.99191	0.9
80.96443	0.5
81.03331	18.9
82.03667	0.5
83.04890	2.0
89.02302	0.8
97.02836	0.6
97.06484	0.7
100.38725	0.5
101.02348	0.7
113.02350	0.7
125.02279	0.6
125.09566	1.3
127.11168	2.2
135.02861	0.8
135.04411	0.8
153.09084	1.8
164.99011	0.5
171.10181	48.5
172.10492	1.7
191.14337	1.4
205.88127	0.6
208.15291	0.6
222.56229	0.6
235.13370	11.6
236.13635	0.8
248.33739	0.6
253.14424	100.0
254.14778	6.4
279.12317	1.1
297.04440	0.6
297.13547	7.1
297.20758	1.3
297.24335	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	297.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50469	0.3
57.03315	0.3
59.01249	4.6
70.46427	1.3
71.01247	1.3
85.02791	0.5
86.04368	0.3
87.99548	0.3
89.02321	1.7
96.61279	0.2
97.06479	0.3
101.02303	1.1
101.33719	0.3
107.39510	0.3
113.02304	1.1
119.03416	0.4
135.04411	0.6
135.06488	0.6
161.04434	0.7
183.01117	4.7
184.01775	0.5
198.10411	4.6
199.11226	6.0
213.09171	1.9
225.09149	0.3
226.09988	0.7
230.09378	1.0
237.09804	0.7
239.14359	0.6
249.55690	0.3
266.80179	0.3
267.13837	0.4
279.22543	1.0
281.15530	1.5
282.16089	1.1
297.15359	8.6
297.18542	100.0
297.23834	16.4
298.15604	0.9
298.18900	7.8
298.24579	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	297.1858
Annotation	3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol
Peak:m/z	Relative Intensity
51.64936	0.3
59.01245	3.4
71.01251	1.4
71.35045	0.3
73.02805	0.4
79.95602	0.6
89.02311	0.9
98.20625	0.6
101.02318	0.9
109.06473	12.3
110.06763	0.4
113.02338	0.5
119.03368	0.3
119.04935	0.4
135.06593	0.4
135.24254	0.3
161.04404	0.5
183.01131	23.7
183.98428	0.3
184.01892	2.6
197.02727	0.9
198.03539	0.5
198.10393	0.7
199.11234	0.7
201.12802	0.4
213.19402	0.3
214.89470	0.5
216.00893	1.8
229.17252	0.4
229.65604	0.3
237.09816	0.4
239.07491	0.4
239.14389	0.5
251.14284	0.4
253.15884	0.6
267.13965	2.6
269.19171	0.8
279.13922	1.7
280.14285	0.5
281.15424	1.7
295.17020	0.8
297.15240	42.4
297.18549	100.0
297.24173	4.5
298.15549	3.8
298.18900	7.5
306.69550	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	297.2069
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
57.03223	0.7
59.01120	5.4
59.01459	2.1
71.01109	1.9
71.04804	0.5
71.13589	0.7
71.13943	1.0
83.01125	0.6
83.04793	0.6
85.02718	0.5
89.02164	2.2
95.04830	0.5
97.06390	0.4
99.07915	0.8
101.02172	1.6
111.07922	0.8
113.02185	1.2
113.09512	0.6
115.07369	0.5
119.03244	0.9
125.09452	1.2
135.04288	0.8
135.06403	0.9
137.09547	0.7
139.07428	0.6
139.11063	1.2
140.08173	2.0
161.04361	0.9
165.31415	0.4
167.14212	0.9
171.10194	2.2
172.88409	0.5
175.25133	0.4
177.12752	3.1
178.13475	1.0
181.12186	0.5
185.11581	0.7
193.12120	0.6
195.13838	3.4
196.14513	1.0
197.11626	0.6
211.13208	1.7
214.89545	0.7
235.20647	3.5
237.09706	1.2
261.18509	0.9
279.19626	82.3
280.19983	5.0
297.11948	2.3
297.20715	100.0
298.21078	7.3
298.24463	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	297.2069
Annotation	Plakortic acid
Peak:m/z	Relative Intensity
57.03319	1.0
59.01247	7.7
70.02167	2.1
71.01245	2.8
71.32870	0.4
73.02832	0.5
76.60825	0.5
78.00277	0.4
85.02831	0.8
89.02315	2.2
97.06474	0.8
101.02304	1.3
108.00397	0.5
111.08021	0.5
113.02290	0.9
119.03379	0.9
123.08076	1.1
125.09607	4.4
127.11201	1.4
128.79314	0.5
131.59958	0.5
135.04417	0.9
135.06525	0.8
138.47435	0.4
139.11186	0.5
141.09105	1.8
141.12749	2.0
143.10663	1.2
146.97452	0.5
151.11230	0.4
153.09096	1.8
155.10677	0.9
161.04527	0.7
161.94333	0.6
167.10718	1.0
169.08519	0.6
169.12309	0.7
171.10121	2.3
183.01135	0.5
185.11687	0.8
185.60086	0.5
197.02795	0.9
200.10457	3.2
216.06366	0.4
225.22015	0.8
235.20663	2.0
237.09737	1.0
251.20197	1.4
253.21779	1.4
261.18582	1.2
279.19672	9.0
280.19962	0.6
297.11725	1.5
297.20728	100.0
297.24176	7.8
298.07324	2.4
298.21066	7.0
298.24213	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	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.04742	0.4
59.01249	4.1
59.36122	0.3
70.51416	0.4
71.01247	1.2
89.02332	1.3
101.02325	0.8
113.02334	0.5
119.03380	0.8
135.04445	0.4
135.06540	0.8
145.34166	0.4
152.68861	0.3
183.01126	4.1
184.44011	0.4
190.70033	0.4
198.10373	0.4
199.11130	0.7
246.53310	0.4
251.23761	1.5
279.23260	2.3
295.23029	0.7
297.15253	6.1
297.18665	9.0
297.24329	100.0
298.15784	0.5
298.19031	0.9
298.24670	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	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01248	2.9
69.48996	2.9
69.49402	0.9
71.01256	0.9
78.26414	0.4
101.02318	0.8
110.12201	0.4
113.09593	0.6
114.45026	0.4
135.04376	0.6
147.50760	0.4
155.14301	0.5
159.41946	0.4
161.04318	0.5
183.01141	3.0
183.13843	1.1
199.13335	3.4
253.25224	0.7
269.24832	1.3
279.23273	5.1
295.22781	0.6
297.04736	1.0
297.15332	6.6
297.24329	100.0
298.24664	10.1
310.38135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01246	3.1
62.50652	0.3
69.88925	2.0
71.01249	1.6
89.02305	0.8
101.02354	0.4
137.09567	0.4
139.11221	0.5
141.12724	1.3
151.04008	0.4
155.10680	15.4
156.11058	0.9
183.01125	3.2
237.09921	0.4
251.23564	0.5
279.23273	12.8
280.23660	0.8
295.22644	0.8
297.15353	6.5
297.24329	100.0
298.15558	0.5
298.24701	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	299.077
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
50.34947	0.3
59.01250	0.3
66.97882	0.3
66.98262	0.3
70.33488	0.5
70.33887	0.6
71.01258	0.3
77.99355	0.3
93.03337	3.7
105.05016	0.3
106.24792	0.2
109.02834	0.4
136.01517	2.6
137.02335	100.0
138.02670	3.5
151.45151	0.3
213.89256	0.3
275.51727	0.3
299.07666	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	299.077
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
52.47722	0.4
52.58958	0.3
59.01244	1.1
60.96794	0.4
70.87232	0.7
71.01253	2.8
73.02802	0.6
83.01232	0.4
83.06387	0.3
85.02817	1.3
89.02298	0.3
93.03329	60.7
94.03662	1.5
101.02312	1.3
113.02295	0.6
123.03145	0.7
133.43346	0.3
137.02332	100.0
138.02679	2.9
138.04472	0.4
138.05499	6.0
187.25967	0.3
194.48779	0.3
267.51160	0.4
299.07794	1.0
299.25848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.09
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12902	7.0
59.01252	14.5
70.99789	19.6
72.21853	6.9
78.95741	7.8
89.02312	8.5
93.03331	100.0
102.41666	8.2
118.53559	6.4
120.99517	7.6
121.02827	15.4
135.04390	8.9
137.02333	99.4
138.05536	12.5
164.49496	7.4
246.05956	8.2
252.81767	8.4
299.12601	9.6
309.42886	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	299.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01044	5.3
50.27377	6.4
69.85252	6.5
69.92123	40.8
71.01261	8.0
93.03325	57.4
102.31805	6.3
116.36272	6.7
137.02335	100.0
151.41290	7.4
203.15298	7.2
210.90181	6.4
221.83516	6.5
225.04427	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	299.1136
Annotation	Salidroside
Peak:m/z	Relative Intensity
50.41573	1.0
51.06616	1.0
55.01746	1.4
56.96535	1.2
57.03323	2.2
58.00460	5.1
59.01249	100.0
71.01250	66.6
71.59113	1.7
72.99182	7.4
73.02812	2.4
74.98963	3.9
80.96406	1.5
83.01266	3.2
85.02817	11.2
87.00754	4.1
89.02313	83.0
95.01251	2.5
99.00723	1.5
101.02319	41.9
105.01785	1.2
107.04898	1.8
107.68539	1.2
113.02326	27.0
119.03387	35.3
119.04871	16.0
123.73849	1.2
131.03401	3.1
137.02350	9.7
137.06006	5.6
138.05501	22.4
143.03409	4.1
147.02859	2.3
149.04462	2.1
161.04546	1.7
179.05539	5.1
180.06577	1.9
181.12834	1.2
189.71368	1.2
299.04541	1.8
299.11450	10.3
299.14468	1.7
299.25925	1.9
300.10641	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	299.1498
Annotation	Strobilol C
Peak:m/z	Relative Intensity
57.03292	1.0
59.01254	6.3
63.39326	0.5
69.03300	0.7
69.70057	3.5
74.98962	0.8
80.02502	0.9
81.03322	1.1
83.04877	1.9
83.31923	0.5
84.02023	0.5
85.02799	1.5
87.00751	0.7
89.02324	0.7
91.03857	2.4
95.04873	1.2
97.02818	11.3
97.06458	1.6
98.20516	1.0
99.00716	1.9
109.05800	1.0
109.06467	12.2
110.03601	1.9
113.05927	0.7
118.62844	0.5
121.06455	0.9
123.04405	1.1
125.09628	3.5
135.08058	3.3
136.05164	2.4
137.02336	1.0
138.05490	1.2
142.02576	2.9
143.07004	1.4
161.09583	1.5
163.07574	0.6
163.11185	17.2
164.11488	1.1
179.10635	1.4
181.12239	8.4
189.09090	2.0
206.14264	0.6
207.10190	100.0
208.10550	5.7
213.05234	0.6
225.11252	74.7
226.11670	3.6
228.14162	0.6
241.04897	0.7
255.11292	0.5
299.09427	1.5
299.14999	59.7
300.15378	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	299.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15974	0.6
59.01240	6.7
69.41901	2.5
69.42334	2.8
80.02554	0.9
81.03307	1.4
83.04887	1.5
89.02308	1.8
91.03880	2.5
93.03321	0.6
95.04917	1.0
97.02824	9.8
99.00711	0.7
109.06474	14.4
110.03629	3.0
121.06446	0.8
123.04394	0.9
125.09615	0.9
135.08049	2.9
136.05186	1.9
137.02292	0.6
138.05534	0.7
142.02612	2.8
161.09680	1.9
163.11186	17.9
164.11539	1.0
165.09187	0.7
177.02934	0.6
179.10677	1.5
181.12267	6.1
189.09126	2.5
207.10191	100.0
208.10519	5.8
217.00157	1.5
225.11266	52.5
226.11588	3.5
256.89890	0.7
270.14771	0.7
283.91602	0.6
299.14984	61.8
300.15363	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	299.1652
Annotation	Miltipolone
Peak:m/z	Relative Intensity
51.41558	0.3
52.82943	0.3
53.55376	0.3
59.01246	18.0
60.01601	0.3
61.25565	0.4
68.81216	0.3
69.35827	0.6
69.36235	2.1
71.01260	1.1
75.00757	0.3
76.77112	0.3
94.04765	0.3
96.95904	0.4
97.02827	1.5
109.06473	0.5
114.51633	0.3
117.56618	0.3
132.98140	0.5
137.02324	0.4
138.05536	0.9
153.50104	0.3
163.11188	0.9
171.08066	1.1
174.99161	5.2
182.87062	0.4
183.07932	1.4
185.00670	0.8
187.07582	0.4
187.11209	0.4
199.07541	3.1
200.08336	2.9
201.09174	0.3
204.04254	0.4
207.10170	7.6
208.10564	0.4
213.05568	0.8
215.07083	3.1
217.00235	20.8
218.00696	0.4
225.09239	0.3
225.11246	6.7
225.13263	0.5
227.07077	5.5
228.07874	0.8
231.06619	0.5
241.12349	0.6
255.13814	0.5
256.10977	0.4
257.15463	2.1
271.09781	2.6
281.19308	0.4
283.13339	4.3
284.14142	4.0
299.16537	100.0
300.13675	2.0
300.16907	8.0
303.54636	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	299.1862
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03313	8.1
59.01250	26.3
60.99167	3.0
71.01255	2.2
71.58457	2.0
73.02815	2.9
75.00748	3.6
79.95583	5.6
83.04905	2.3
85.02840	3.8
87.00746	8.6
87.04337	3.4
93.09074	1.8
95.04906	3.9
97.05870	2.4
97.06462	33.5
99.08041	14.8
99.92466	2.2
109.06469	7.7
111.04415	2.5
111.08005	3.8
113.05969	2.2
113.08810	2.1
113.09583	25.7
115.07514	2.5
116.04922	1.4
121.47466	1.5
123.08031	27.7
124.08450	1.8
125.05951	3.1
125.09602	2.4
127.07532	5.3
129.09055	2.0
136.07570	9.7
137.02344	2.2
137.05980	23.0
137.09557	3.3
138.05453	5.6
139.11165	1.8
143.06999	4.8
145.03868	2.1
150.05486	3.2
155.06003	1.9
155.07053	16.6
167.07011	3.4
173.08083	44.9
174.99130	7.2
183.10185	3.9
185.08083	30.3
207.10165	8.4
217.00217	22.5
218.00403	2.0
219.17458	4.4
225.11278	12.9
237.18541	3.3
245.15125	1.7
263.16547	8.0
271.09271	1.8
271.24075	1.7
281.17538	50.9
282.17841	5.0
298.94232	9.6
299.14935	6.0
299.18600	100.0
299.25525	3.8
300.18945	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	299.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.3
69.43201	0.9
69.43613	0.4
85.21979	0.1
96.03020	0.1
121.90117	0.1
137.02335	0.2
138.05568	0.3
174.99130	0.6
185.00629	0.2
185.09502	0.2
189.05547	0.2
199.11191	0.4
200.11980	1.2
201.12772	0.2
204.07774	0.5
213.09076	0.7
215.10728	0.6
217.00223	2.8
241.15947	0.2
256.44418	0.2
269.15457	0.6
283.17029	4.9
284.17358	0.5
299.20145	100.0
300.20483	9.0
306.17270	0.2
316.16745	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	299.2014
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
59.01238	1.4
69.41316	1.8
71.01270	0.2
91.54926	0.2
95.82972	0.2
96.31836	0.2
114.82729	0.2
138.05507	0.6
217.00208	1.6
299.20120	100.0
300.20462	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	300.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	0.3
50.26625	0.2
51.89523	0.2
52.60673	0.2
59.01244	1.6
68.01283	3.1
69.89836	1.0
71.01254	0.7
72.99167	0.3
75.67065	0.2
94.06488	0.4
95.04923	0.2
96.04431	0.5
101.02283	0.2
110.05985	0.5
122.02365	0.7
122.05988	0.3
123.03146	5.2
124.03944	0.3
124.07576	1.0
130.08630	1.1
136.07564	0.6
137.04718	0.8
137.05817	0.2
138.05499	100.0
139.05858	2.4
145.04004	0.4
147.36917	0.2
150.05492	0.4
152.03410	0.4
152.07057	1.5
166.08665	0.7
167.05803	2.2
168.06522	0.6
180.06578	5.5
181.06909	0.3
192.06546	0.2
204.71515	0.2
210.07660	0.8
222.07635	0.2
240.08644	0.4
256.20401	0.3
285.96967	0.2
300.10873	14.8
300.19073	1.5
301.11313	0.9
303.62408	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	301.1594
Annotation	alpha-hydroxy Farnesyl Phosphonic Acid
Peak:m/z	Relative Intensity
50.29259	0.5
51.38286	0.5
57.49915	0.5
60.79329	0.5
62.15526	0.5
70.25097	1.1
70.25483	1.3
123.00750	2.1
138.03119	1.3
139.03886	0.5
166.90781	0.6
187.77065	0.5
204.04518	0.5
217.07121	2.5
285.13370	1.0
286.13577	2.1
301.00006	3.4
301.15958	100.0
302.16287	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	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85634	0.3
69.86485	1.9
72.34087	0.3
80.02551	1.0
81.03307	1.0
83.04891	4.3
84.02025	0.9
93.03329	0.7
95.04890	0.4
110.08842	0.4
121.02825	1.1
125.05987	0.9
125.09625	0.4
128.62132	0.3
135.08029	0.6
149.02330	1.4
163.11188	3.0
165.12747	2.2
181.12242	0.6
191.10703	1.1
209.11752	100.0
210.12042	4.6
210.13681	0.5
227.12859	5.0
228.12952	0.4
276.86459	0.4
301.07416	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	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.7
73.69950	0.4
80.02541	0.9
81.03333	1.1
83.01247	0.5
83.04893	5.4
84.02039	1.0
93.03353	0.4
95.04916	0.4
98.19840	0.9
102.55737	0.3
125.05977	0.4
135.08064	0.7
146.65616	0.3
147.11670	0.3
163.11191	4.0
165.12767	2.1
181.12297	0.8
191.10684	1.1
199.13303	0.4
209.11760	100.0
210.12100	4.6
227.12845	5.8
239.14397	0.4
242.74289	0.4
254.76605	0.3
301.20181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	0.5
70.56813	0.7
71.04881	0.6
80.02546	1.0
81.03334	1.0
81.46977	0.3
83.04900	5.3
84.02040	0.9
91.03886	0.3
93.03341	0.3
95.04881	0.6
125.06001	0.7
125.09592	0.3
135.08044	0.8
147.11620	0.3
163.11206	4.0
165.12758	2.5
168.63986	0.3
181.12181	0.5
191.10669	1.3
199.13242	0.4
209.11763	100.0
210.12096	5.4
227.12842	5.8
228.13010	0.3
301.11264	0.4
301.16620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.78854	0.6
60.97371	0.7
63.49528	0.6
70.65282	2.5
74.04499	0.6
92.18986	0.6
123.67704	0.6
134.99281	4.7
136.97220	3.0
159.08322	1.5
161.06299	6.7
175.69559	0.7
203.05621	3.4
205.03497	1.1
215.05481	0.9
217.07152	85.8
218.07240	5.4
261.06070	0.8
263.94238	0.6
285.13449	36.8
286.13742	2.6
301.16592	100.0
302.16791	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	301.2172
Annotation	Abietic acid
Peak:m/z	Relative Intensity
53.12092	0.1
59.01237	0.2
61.98694	0.2
64.68980	0.1
70.57826	0.3
70.58228	0.3
83.04900	0.3
123.00759	0.4
138.03123	0.3
170.16568	0.1
170.37819	0.1
185.02393	0.2
196.30916	0.1
201.12775	2.9
209.11784	0.2
219.00758	0.1
229.12369	0.7
267.17468	0.2
269.19077	0.2
283.20715	0.4
285.18552	0.5
299.20181	0.5
300.99948	3.4
301.21704	100.0
302.00311	0.4
302.22046	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	301.217
Annotation	Abietic acid
Peak:m/z	Relative Intensity
59.01244	1.0
61.98692	0.6
62.83174	0.2
68.89120	0.3
69.33733	1.1
69.34161	1.5
112.22394	0.3
123.00761	1.1
147.00235	0.3
180.32373	0.3
187.11180	0.7
190.44960	0.3
209.11781	0.5
213.12805	0.7
234.65509	0.3
245.11862	0.3
267.17596	0.5
269.19040	2.6
285.18744	0.5
300.99945	5.0
301.21692	100.0
302.00217	0.6
302.22034	8.3
312.17798	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	303.135
Annotation	NSC 177499
Peak:m/z	Relative Intensity
51.96841	1.2
54.29972	1.2
56.38605	1.2
59.01246	26.5
70.87508	1.3
71.01250	2.6
74.98982	3.2
84.04433	1.5
96.04424	3.0
98.43889	1.3
103.27693	1.5
107.03674	3.5
108.04426	19.4
117.34397	1.5
121.05226	3.0
122.06003	70.5
123.06330	1.5
124.07569	47.0
130.08644	2.5
134.06032	2.5
135.98163	2.0
136.07578	93.8
136.99010	2.1
137.07903	2.2
139.11136	1.3
148.07556	1.7
164.07039	1.4
167.05792	6.5
168.06569	100.0
169.06920	3.2
180.06538	12.5
185.11807	6.0
188.10802	1.9
200.10652	1.6
215.08270	2.4
216.13783	8.1
230.10529	2.8
231.11305	4.7
242.11702	1.7
243.11382	7.0
259.14511	11.9
285.12402	4.9
293.63638	1.4
303.13486	66.4
304.13910	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	48.6
59.03180	0.6
71.36124	0.8
85.08125	0.3
125.09570	0.9
135.08090	0.9
168.13850	100.0
169.14230	3.9
212.12827	4.3
248.10402	0.4
287.16678	0.5
304.19235	0.9
305.17331	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	304.2282
Annotation	Samandarine
Peak:m/z	Relative Intensity
59.01246	0.7
68.73610	0.4
71.01263	0.4
86.05983	36.5
87.06338	0.8
103.64830	0.4
106.04088	0.5
121.06485	0.7
122.89259	0.4
125.09595	1.1
125.30999	0.3
130.05000	1.6
135.08023	1.2
160.85553	0.4
168.13809	1.3
179.04485	0.4
180.33717	0.5
193.12253	0.4
213.66508	0.4
220.80772	0.4
262.21756	1.5
287.16367	1.1
304.22794	100.0
305.17691	4.4
305.23160	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	305.1143
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
52.24378	0.2
54.36308	0.2
55.82888	0.2
59.01241	0.7
59.37040	0.2
65.99713	0.6
67.99302	0.2
68.99668	0.4
69.03328	0.5
69.69706	0.2
70.10291	1.1
71.01250	1.0
74.98962	0.5
76.08788	0.2
77.09874	0.2
82.02857	3.8
92.04918	0.6
94.02847	2.1
94.03717	0.3
96.04424	4.5
97.02840	0.6
101.02319	0.6
110.06010	0.5
115.02068	0.3
115.61558	0.2
120.04436	1.1
120.99525	0.8
122.02340	0.3
122.02747	0.3
122.03619	4.0
122.06006	1.6
123.03987	0.3
123.06310	0.2
136.03923	1.4
138.05496	100.0
139.04034	0.2
139.05861	2.9
149.04729	0.3
150.05508	0.6
161.04651	0.3
161.08167	0.4
174.05531	0.7
178.08708	0.4
188.07097	0.9
190.08687	1.1
202.08720	0.8
216.10266	0.7
217.06096	1.1
217.08978	0.6
218.06909	1.7
218.11778	1.5
219.84956	0.2
228.71178	0.2
229.06082	0.3
233.09271	4.2
244.09851	1.1
245.09431	0.6
253.15594	0.2
261.12418	10.0
262.12839	0.7
265.10754	0.2
287.10367	1.5
305.11398	14.9
306.11737	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	305.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.6
57.03327	3.2
58.00468	3.1
59.01245	100.0
65.03811	1.6
66.65726	1.4
71.01247	79.7
72.01563	1.5
72.99174	6.0
73.02813	12.2
75.00726	2.2
80.20892	1.3
81.06956	7.6
83.01257	7.0
84.70215	1.5
85.02821	23.9
87.00730	5.1
89.02309	82.0
95.01266	5.9
95.63768	1.4
98.20674	2.0
99.00727	6.8
101.02314	78.1
107.79272	1.5
113.02324	37.5
119.03383	40.3
120.14140	1.3
123.85027	1.3
125.02342	1.9
125.05994	2.3
131.03401	3.5
138.05510	8.8
138.81978	1.2
143.03409	4.1
146.13068	1.3
149.04515	2.9
159.02908	2.4
161.04451	12.4
179.05504	5.1
202.47385	1.4
219.00455	1.3
224.10741	1.4
246.45123	1.4
261.13419	10.1
305.12408	63.0
306.12582	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	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.0
55.50095	1.8
57.77081	1.7
58.00451	5.3
59.01247	100.0
59.53809	1.9
69.95854	10.5
71.01253	70.5
72.36291	1.6
72.99174	5.3
73.02818	3.3
81.06976	15.3
83.01246	4.5
85.02831	16.0
87.00737	3.4
89.02311	73.1
95.01235	4.6
98.19876	3.1
98.86897	1.7
99.00742	4.1
101.01682	3.5
101.02319	48.7
113.02335	27.1
119.02572	2.8
119.03384	33.1
123.54012	2.1
125.05968	5.2
131.03458	2.5
131.04590	1.7
143.03418	3.9
149.04419	3.0
161.04462	5.7
179.05470	3.3
233.53658	2.0
261.13385	4.3
305.12408	52.7
306.12759	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	305.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67972	0.6
57.03336	0.5
57.07217	0.6
58.14113	0.6
58.17743	0.5
58.97520	0.6
59.01249	12.0
66.40000	0.5
69.70815	1.3
69.71218	3.5
71.01254	0.7
74.13378	0.5
80.96400	0.9
95.03643	0.7
96.00769	0.8
96.04446	0.9
96.08047	1.4
97.01572	2.2
100.03925	0.8
101.02323	0.7
102.87248	0.6
107.03651	0.7
108.04427	11.6
109.05221	1.9
110.06000	0.8
120.04421	0.7
120.99552	0.8
121.05227	1.8
122.06027	3.7
124.07569	39.5
125.07865	0.8
126.05540	0.6
133.02834	0.6
134.03500	1.9
136.07574	100.0
137.07942	2.9
137.16133	0.5
138.08142	1.0
138.09142	9.3
153.42111	0.5
167.48253	0.6
168.06570	46.8
169.06937	0.7
180.06570	22.2
181.06866	0.7
190.12320	1.1
203.08220	0.8
218.15436	4.2
232.12141	0.9
233.12961	1.3
245.12990	1.7
261.16052	1.8
290.15689	0.6
305.12265	1.2
305.15210	11.6
313.68494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
55.01730	0.4
57.03297	1.8
59.01258	2.8
69.03300	0.6
71.04890	27.5
71.07495	1.2
72.05209	0.8
80.02509	1.3
81.03315	2.5
83.04864	1.5
93.03304	2.0
93.06966	4.0
95.04317	1.0
95.04899	14.4
97.06435	1.4
106.04122	2.8
106.48409	0.4
107.04897	1.1
107.35763	0.4
109.02819	1.4
109.06474	11.8
110.03559	0.5
111.04344	1.2
119.04927	1.0
120.05724	0.8
121.06477	4.3
122.03613	2.1
123.04412	0.8
123.08007	2.0
125.02291	0.6
125.09612	4.3
127.07490	1.5
133.06487	1.8
135.04407	0.6
135.08057	14.3
136.05147	1.5
137.09612	0.6
139.07466	0.6
142.02534	0.5
147.04375	1.8
147.08047	2.6
149.05954	1.4
149.09610	0.7
150.06760	1.7
151.07442	0.8
153.09100	0.8
159.08040	0.7
161.05978	4.1
161.09581	1.5
162.06740	0.8
165.09117	9.1
165.12766	0.8
170.84355	0.4
171.10120	0.8
172.02734	0.5
175.07573	0.9
179.14342	0.9
185.11783	1.1
187.11217	0.7
189.12788	10.7
195.13809	0.6
205.15900	6.2
215.10684	1.0
231.13806	1.4
233.11792	5.4
235.13490	0.6
243.17494	7.8
244.17786	0.6
245.15512	0.7
247.13335	0.9
249.14923	9.2
250.15070	0.6
261.18591	2.2
263.16458	1.4
269.12866	0.5
269.15469	2.9
277.18295	1.0
287.16507	62.5
288.16812	5.4
289.14459	0.9
305.17554	100.0
306.17896	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1755
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
57.03321	1.7
59.01035	0.5
59.01255	5.7
63.54874	0.7
65.03812	1.1
69.03320	0.6
69.65649	0.6
70.97595	1.6
71.01255	1.3
71.04885	6.1
73.02843	0.6
77.80078	0.6
80.02551	1.3
81.03335	1.9
83.04886	2.3
93.03357	1.1
93.06972	1.3
95.01264	0.9
95.04906	2.3
97.06467	3.4
101.02254	0.7
106.04111	3.2
107.04915	1.2
107.08546	0.9
108.02031	0.7
109.02817	0.8
109.06469	2.7
111.08015	0.6
117.89655	0.6
121.02833	1.0
121.06483	11.9
122.03610	1.0
123.08072	3.2
125.02357	0.9
125.05958	2.1
125.09610	7.2
127.07504	1.0
135.04407	1.2
135.08064	8.8
136.05205	1.1
137.09619	1.3
139.07571	0.6
139.11183	1.9
141.01616	0.7
144.05708	1.0
147.04414	1.8
151.07724	0.7
151.11165	1.3
153.09114	1.3
161.06012	4.0
161.09605	1.0
162.06766	5.5
163.11259	0.6
164.08321	1.0
173.09543	0.7
176.08409	0.7
176.12030	0.6
177.09160	0.7
177.12642	0.8
179.10721	0.7
189.12775	4.2
195.13820	4.1
199.13310	2.3
203.14351	0.7
205.15889	1.7
206.16222	0.6
209.11847	1.1
219.17542	0.7
221.11823	2.4
223.13399	2.6
231.13892	1.9
233.11758	1.5
243.17497	10.2
244.17923	0.7
249.14943	4.9
250.12050	3.6
250.14636	0.6
259.17050	1.2
261.18423	4.1
263.16592	1.5
269.15506	3.7
277.18158	1.3
285.74557	0.7
287.16513	30.0
288.16806	2.0
305.17563	100.0
306.17877	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	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.3
59.01244	15.1
65.03835	1.6
71.01260	2.6
71.04897	1.4
80.02563	1.7
81.03335	1.5
83.04884	2.8
93.03354	2.8
93.06944	2.3
95.01268	1.9
95.04901	5.3
97.06463	7.6
106.04101	2.6
107.04929	2.7
109.02845	3.6
109.06496	3.3
111.04411	2.0
119.04975	1.5
121.02845	1.8
121.06470	18.6
122.03575	2.1
123.00757	2.2
123.04436	2.3
123.08000	2.6
125.05972	12.8
125.09590	6.9
127.07535	8.0
133.10103	1.5
135.04420	3.2
135.08054	8.8
136.05193	4.1
136.06322	1.3
137.09583	2.3
138.06705	3.1
139.11220	6.4
141.01633	4.0
141.09142	1.7
149.09605	4.3
151.11159	3.5
153.09135	1.9
154.20998	1.3
161.06000	2.1
164.08330	1.7
167.10748	2.3
175.11140	3.1
177.09102	2.3
177.12706	1.4
178.09918	1.3
179.10706	1.6
179.14330	1.6
183.10226	1.5
189.12817	7.6
193.12187	2.2
195.12215	2.3
195.13834	19.4
195.21111	1.4
201.11285	2.3
205.12120	1.4
215.14223	1.6
231.13928	4.2
243.17471	35.2
244.17868	3.6
250.12038	10.1
250.34013	1.4
256.33386	1.5
259.17035	4.6
261.18423	8.6
277.18152	3.1
287.16528	36.4
288.16800	3.2
305.17563	100.0
305.20682	3.5
306.17953	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	305.1758
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01774	2.9
57.03310	3.5
59.01250	38.9
69.03310	2.8
71.01244	2.8
71.04882	12.7
71.59062	3.6
73.02808	7.5
80.02564	2.4
83.04884	2.9
92.28875	2.0
93.03317	2.3
95.04926	2.8
97.06461	7.2
99.04394	88.7
105.31462	2.1
106.04160	2.9
107.08525	4.0
109.02871	2.0
109.06499	5.1
116.92667	1.9
121.06481	5.9
123.08046	28.4
125.05966	9.4
125.09630	5.6
127.07538	3.0
135.08070	12.9
136.05237	2.4
137.09547	2.2
141.01634	14.9
149.09642	10.6
151.11081	2.1
161.09674	2.6
161.13287	2.6
164.08238	2.2
174.38443	2.3
175.11174	3.2
189.12759	4.0
190.09988	2.4
193.12274	6.9
196.68739	2.0
205.12309	5.7
215.14383	2.0
215.68106	1.9
219.13843	6.5
220.59612	2.1
229.36317	1.9
243.15150	3.7
243.17517	50.2
249.14917	3.0
261.18619	4.4
269.15414	8.2
287.16507	72.3
288.16901	4.6
305.08414	2.6
305.17572	100.0
305.20825	4.2
306.17953	8.7
327.83426	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	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	3.0
59.01246	9.3
65.08939	0.9
69.03321	1.6
70.06995	3.9
70.54024	0.8
70.65995	0.8
71.01259	2.4
83.04871	1.1
85.02804	2.1
88.19226	0.8
93.03327	2.0
93.06973	2.8
95.01248	1.7
95.04847	1.4
97.06452	3.7
98.20522	1.4
105.06911	1.1
106.04108	1.4
107.08540	6.4
109.02852	1.1
119.04900	1.6
119.08541	1.1
121.02795	1.0
121.06441	1.4
123.08035	5.0
125.09602	10.2
133.06464	1.8
135.04436	1.1
135.08054	12.8
136.05156	0.8
137.09627	2.5
141.01572	1.9
141.09048	1.6
146.07295	1.8
147.08197	1.1
149.06023	1.1
149.09592	2.5
151.07549	2.3
151.11200	2.0
153.09148	2.1
157.06673	1.1
161.05949	1.3
161.09625	1.2
163.07625	1.1
164.08301	1.1
167.10658	1.4
169.08641	1.3
171.10138	2.2
177.09111	2.0
177.12775	1.0
179.07074	1.5
179.10704	2.3
181.12215	4.1
182.69656	0.8
189.12750	3.7
193.15909	3.6
196.07341	2.2
197.08214	1.0
198.08900	1.1
200.10339	1.0
203.10751	1.5
207.13821	5.7
213.11185	1.7
214.13570	0.9
215.14259	2.0
233.19041	1.7
233.81668	0.9
243.17488	29.3
244.17923	2.1
261.18616	8.0
269.15356	4.2
283.74106	1.1
287.16507	31.4
288.16888	3.2
305.17584	100.0
306.17847	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	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63395	0.8
54.65040	0.8
57.03313	2.3
59.01244	10.5
61.99528	1.1
62.37087	0.9
66.35592	0.8
69.03330	2.1
70.82652	1.8
70.83008	1.7
71.01251	1.1
71.04881	1.0
73.02779	0.8
80.02557	1.2
81.03346	1.0
83.04881	1.2
85.02824	1.9
93.03353	1.4
93.06962	1.5
95.01295	1.6
95.04887	1.2
96.95891	1.3
97.06430	2.5
105.06941	1.4
106.04109	2.2
107.08541	6.6
117.06985	1.2
119.04933	1.2
119.08582	0.9
123.08042	3.8
125.05981	1.3
125.09609	10.8
133.06506	2.5
135.08043	11.8
137.09592	3.2
141.01593	2.1
141.09099	1.1
145.06485	1.2
146.07260	1.6
149.05991	1.7
149.09628	2.9
151.07544	1.7
151.11169	2.4
153.09090	1.9
160.84126	0.9
161.06004	1.4
163.07533	1.3
163.11143	1.4
164.08362	1.4
167.10617	1.3
171.10153	1.7
175.11223	1.1
177.09172	1.8
179.07060	1.8
179.10695	2.0
181.12263	3.1
189.12831	4.2
196.07402	2.0
197.07983	1.3
199.09698	3.0
207.13850	5.6
211.05975	1.2
213.11211	2.2
215.14317	2.8
220.83887	0.9
233.19029	1.6
243.17490	28.9
244.17851	3.2
261.18570	9.7
262.18915	0.9
269.15384	3.2
287.16510	29.1
288.16879	2.4
305.17578	100.0
306.17972	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	305.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.4
56.15257	0.6
56.89696	0.6
57.03321	2.4
57.48141	0.6
59.01237	2.6
65.03839	4.1
69.03326	1.3
69.53928	5.2
71.04886	6.4
79.05393	11.3
80.02546	1.2
86.36535	0.6
91.05395	1.5
93.03323	2.0
95.04903	2.0
97.06463	14.6
106.04120	12.7
107.04933	3.4
107.08569	1.6
109.06454	3.0
117.06989	3.4
119.04893	2.6
120.05690	6.5
121.06499	4.4
123.08034	5.8
125.09603	20.5
133.06444	1.5
135.08044	100.0
136.08376	2.5
137.09618	2.6
151.11148	1.9
154.17738	0.7
158.07373	0.7
160.04535	0.7
161.05945	1.1
162.06770	1.3
163.11150	1.3
169.08612	0.8
171.10158	1.0
183.10149	1.6
185.11768	1.5
189.12752	1.3
205.15936	5.6
207.10234	1.1
209.11702	1.6
209.22752	0.7
221.11844	1.5
230.64334	0.6
231.13771	1.4
233.11800	1.3
243.17648	0.8
249.14911	43.4
250.15227	2.5
263.16394	2.0
269.15408	2.1
277.18137	1.3
287.16537	15.2
305.17560	73.4
306.17987	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	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03320	3.7
59.01256	2.4
65.03821	2.3
69.03312	2.2
69.27430	1.0
69.54169	7.4
71.04893	2.5
79.54081	1.0
80.02541	7.8
81.03327	3.3
83.04903	1.1
93.03295	1.3
95.04913	1.8
97.06478	9.9
99.04403	5.7
106.04128	10.3
107.04878	1.2
117.07006	1.8
120.05718	1.1
121.02821	2.3
121.06486	2.0
122.03607	3.4
123.08036	11.5
125.09608	67.4
126.09927	2.6
135.04437	2.1
135.08049	84.7
136.08365	2.7
137.09592	4.1
147.04424	2.6
148.05156	1.0
149.09576	1.2
161.05981	8.0
162.06772	3.4
163.07576	0.9
164.08328	3.0
169.08643	2.5
177.09048	1.1
187.65543	1.1
191.43651	1.1
206.13045	1.6
243.17566	4.2
245.11409	1.1
249.14883	2.6
250.12021	12.3
261.18549	2.7
269.15335	1.0
269.54440	1.2
287.16492	18.8
305.17572	100.0
306.17969	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	305.1758
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
57.03307	1.6
59.01245	5.8
69.03312	0.8
70.92049	1.4
71.01267	1.0
71.04889	42.2
71.61292	0.7
80.02550	0.9
81.03329	3.1
83.04907	2.0
93.03316	2.3
95.04894	18.5
98.03603	0.7
106.04082	1.8
107.04889	2.4
109.02805	1.7
109.06467	15.1
111.04391	1.5
121.06474	6.0
122.03613	1.5
123.08050	1.7
125.05936	0.8
125.09605	1.2
127.07537	2.9
133.06487	1.0
135.08037	3.0
136.05180	0.8
139.07501	1.3
147.04398	2.4
147.08041	3.8
149.05943	1.5
149.09592	1.2
150.06721	1.6
151.07468	1.1
161.05945	2.3
161.09645	1.3
162.06764	0.8
164.08336	1.4
165.09116	13.8
169.68530	0.8
173.09633	1.0
179.14314	1.0
189.12759	13.4
203.14163	0.8
205.15892	9.8
231.13858	2.1
233.11748	7.6
243.17528	10.2
244.17873	0.9
245.15425	1.4
249.14902	12.4
261.18613	2.1
263.16577	1.1
269.15485	2.2
287.16510	76.9
288.16815	6.6
305.17566	100.0
306.17883	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	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.2
57.46624	0.4
58.55214	0.3
59.01242	1.1
65.03833	11.2
69.54021	0.8
69.54424	1.9
73.02799	0.4
83.04891	0.5
91.05392	0.8
93.03374	0.4
93.06969	36.7
94.07318	0.9
97.06457	0.8
106.04118	1.1
111.08043	0.7
121.02822	3.9
121.06475	24.4
122.06799	1.2
123.07997	0.6
125.09638	2.6
135.08060	1.6
137.09636	0.5
139.11188	6.0
146.07219	0.5
147.04408	2.6
159.08023	0.5
161.05994	2.0
162.06740	3.7
163.07413	0.5
171.10152	3.3
183.10228	1.8
189.12837	0.5
201.11252	0.9
209.11743	1.1
231.13805	2.1
243.17529	1.8
245.15590	0.6
249.14909	8.7
250.15384	0.6
259.16995	0.7
261.18494	1.9
263.16653	0.4
267.72446	0.4
269.15491	0.8
275.16339	0.7
277.18192	0.9
287.16498	36.8
288.16827	2.8
305.17557	100.0
306.17920	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	307.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45813	0.5
55.01765	0.9
55.09287	0.5
57.03318	0.8
58.00455	2.2
59.01247	40.5
69.03294	0.6
69.94386	1.2
69.94775	1.4
71.01248	23.6
72.99174	1.9
73.02818	1.2
78.95788	0.6
83.01252	1.6
84.02054	0.5
85.02814	4.8
87.00751	2.1
89.02311	20.8
95.01261	1.3
98.20464	0.7
99.00729	0.5
99.08024	24.8
100.08332	0.5
101.02309	14.7
108.94118	0.5
111.47887	0.5
113.02319	8.0
113.09605	0.6
119.03373	8.3
127.07539	6.6
129.09103	1.4
135.04430	1.5
140.83426	0.5
141.09120	2.0
143.10716	0.6
145.08594	68.5
146.08919	2.1
151.03885	0.7
161.04465	0.6
179.03423	1.6
179.05598	1.2
187.09694	2.1
187.44675	0.5
239.35652	0.5
307.13953	100.0
308.14352	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	307.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96211	0.9
53.03724	0.8
55.01753	1.1
57.03315	1.0
58.00455	1.5
59.01247	53.3
59.25866	0.8
62.37486	1.1
69.30397	9.5
71.00889	1.7
71.01250	23.5
71.32614	0.8
72.94803	0.8
72.99177	2.1
73.02812	1.6
83.01270	2.3
85.02818	7.7
87.00740	1.4
89.02312	26.9
95.01263	2.8
99.00754	1.6
99.08030	27.8
101.02330	18.0
113.01660	1.2
113.02335	7.6
119.03392	8.4
125.12506	1.0
127.07519	4.1
129.09091	2.6
135.04413	0.8
136.33461	0.8
141.09091	2.3
145.08604	77.0
146.08942	2.0
161.69482	0.8
179.03416	0.9
179.05585	1.3
187.09662	1.6
216.12592	0.8
251.75891	0.9
307.13977	100.0
308.14404	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	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
56.83721	0.7
57.03299	0.9
58.00458	2.0
59.01248	29.8
71.01254	18.9
71.58289	1.4
72.99171	1.9
73.02801	0.9
80.96377	0.7
84.67184	0.8
85.02801	5.4
87.00800	1.3
88.03915	0.8
89.02316	20.8
95.01285	0.9
96.25912	0.7
99.08025	2.9
101.02319	16.7
113.02345	7.8
119.03388	9.6
126.36852	0.9
127.07532	9.0
131.03433	0.8
132.02916	4.5
135.04393	3.2
145.03966	2.6
145.08583	10.0
145.49203	0.8
146.04465	0.8
161.02280	1.0
161.04475	1.0
179.03407	3.4
215.69868	0.7
219.10542	1.7
307.13974	100.0
308.14355	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48381	1.5
55.01754	3.2
57.03325	4.1
59.10326	1.5
61.43834	1.5
65.03830	71.7
66.76327	1.4
71.04887	47.7
75.66371	1.5
83.04890	4.5
93.03332	6.5
97.06462	83.2
109.06482	2.2
117.06958	5.3
119.08554	21.0
121.06476	98.8
122.06756	3.4
123.08023	3.9
125.09604	48.4
125.10519	2.6
133.00165	1.9
133.06407	2.5
135.08049	27.1
137.09581	5.2
144.02754	1.6
163.11147	1.8
163.42026	1.5
169.29152	1.8
171.10190	17.4
185.11740	77.1
185.13419	3.9
186.12105	4.7
209.09883	2.9
209.11781	35.6
210.12120	2.3
211.13321	34.7
217.12212	2.2
235.13344	100.0
236.13721	4.1
245.18915	2.0
249.14944	1.7
271.17047	2.2
289.18088	33.8
290.18375	3.1
307.19144	40.4
308.19489	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	6.0
57.03316	4.6
65.03831	67.6
65.30392	1.5
67.01764	1.5
70.64326	4.6
71.04887	44.7
83.04871	3.2
97.06464	76.4
98.06794	2.2
109.06467	2.6
113.55328	1.4
114.08778	1.4
119.08556	16.5
121.06480	100.0
122.06841	2.9
123.08034	6.1
125.09605	45.7
125.10525	2.5
125.14478	1.6
135.08083	2.3
137.09605	6.7
163.11263	2.8
185.11752	90.3
186.12039	2.6
191.14247	1.9
209.11754	36.2
209.15002	1.9
211.11455	2.4
211.13344	38.3
235.13350	95.9
236.13661	4.7
245.19263	1.8
289.18079	23.6
290.18604	2.2
307.19125	33.2
308.19565	2.5
310.61606	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39852	2.0
57.03315	4.5
59.01242	8.3
67.25960	1.8
71.04885	2.5
71.08028	4.2
81.03334	2.4
83.04880	2.7
85.52147	1.9
95.04891	5.3
97.02828	10.5
97.06460	3.5
109.06470	2.3
121.06416	2.5
123.04372	6.2
123.08018	9.3
139.11145	2.7
139.76501	2.2
149.09575	3.2
151.11212	5.8
153.12833	2.0
154.14268	2.1
163.11113	2.1
165.12749	5.5
169.79599	1.9
179.83780	2.1
185.11821	2.6
191.14281	7.2
199.13251	2.7
203.14304	2.2
209.11778	9.0
217.15854	5.3
235.13272	3.7
245.19055	57.3
246.19321	3.2
289.18085	100.0
290.18494	8.8
307.19104	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.9
61.56568	0.8
70.46282	2.8
71.04888	4.4
73.89345	0.9
80.02527	1.6
81.03342	1.4
83.04895	1.7
95.04926	1.5
98.03603	1.5
109.06470	13.4
111.04390	7.3
111.08025	1.0
112.05176	1.0
123.08045	2.1
125.09563	1.7
127.07536	4.7
131.47148	0.9
135.08051	1.5
137.09613	2.5
143.10651	1.5
145.06519	2.5
149.09567	1.1
167.10651	2.3
168.02245	0.9
179.10638	1.2
191.14432	0.9
195.13820	2.8
215.14165	1.0
228.29515	0.9
235.13278	1.7
235.20024	0.9
235.22313	1.0
245.18977	6.0
249.14980	0.9
251.16548	1.5
271.17032	1.8
287.16467	3.2
289.18082	100.0
290.18454	10.3
295.26138	0.9
307.19131	16.2
308.19611	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59185	2.1
57.03309	6.1
59.01234	2.0
70.13336	3.9
70.13731	5.4
70.61671	1.6
73.57917	1.8
95.04913	1.6
97.02829	2.2
107.08569	2.5
110.03597	4.0
121.06483	5.2
123.04454	9.7
123.08061	16.0
125.09614	3.1
127.11217	2.4
137.05968	2.1
137.09615	3.0
139.11201	6.8
142.02579	5.0
149.05997	1.9
149.09634	1.8
151.11212	3.2
155.14301	4.9
168.25398	1.8
179.18555	1.6
199.13342	40.5
199.15059	1.5
210.55067	2.0
236.66820	1.8
245.19072	15.0
247.16951	2.6
289.18082	82.2
290.18350	4.6
295.63699	1.8
307.19138	100.0
308.19531	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	6.4
59.01240	4.2
69.03301	2.0
71.14086	1.8
71.14417	2.5
80.02538	3.6
81.03318	5.6
83.01245	7.3
83.04882	2.6
92.71169	1.4
95.04885	4.6
97.02814	6.2
97.06470	12.9
106.04134	2.1
109.06451	2.6
110.03575	1.9
110.48981	1.3
121.06466	4.4
123.04373	7.3
123.08038	4.2
125.05997	3.2
125.09603	18.9
135.08054	2.7
136.05180	1.6
137.09616	11.1
141.12714	2.9
142.02650	2.1
149.05968	3.5
163.11215	16.3
165.09096	2.0
165.12732	3.7
167.10655	1.7
171.10149	1.6
175.11197	1.7
175.46936	1.3
181.12222	6.2
185.11746	21.6
189.12753	2.3
191.10683	2.5
191.14314	22.4
207.10159	9.8
209.11754	32.7
211.13315	2.7
217.15854	3.0
225.11244	11.2
226.12036	1.4
245.19046	48.8
245.21600	2.6
271.17004	4.4
289.18076	100.0
290.18402	6.6
307.19138	63.6
308.19485	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42146	1.3
56.50474	1.1
57.03322	9.5
59.01250	6.4
66.60313	1.2
69.03307	3.0
69.59373	9.1
71.01234	6.6
71.04895	1.5
73.02824	1.3
80.02542	3.1
81.03306	1.6
83.04898	5.1
93.03349	1.8
95.01232	1.3
95.04898	3.0
97.06463	13.9
106.04126	3.0
107.08553	2.6
109.02837	1.5
109.06469	4.1
110.03591	1.5
111.08032	8.6
117.56801	1.4
121.06448	8.8
123.04396	1.8
123.08022	5.3
125.09606	7.8
127.11182	1.5
135.08031	3.5
137.06004	1.9
137.09592	4.4
139.07478	1.3
139.11186	3.5
149.09608	3.8
151.07468	1.6
151.11176	14.7
153.09108	5.7
153.12775	2.0
155.10689	7.2
160.01921	1.3
161.09567	1.3
162.10101	1.2
163.11176	4.7
165.12776	17.1
166.09752	1.3
166.13092	1.5
166.45837	1.4
167.10667	4.9
171.10165	11.3
177.09128	1.3
177.12733	2.1
179.10692	4.1
181.12244	20.9
182.12494	1.3
185.11763	17.0
191.10684	6.6
191.14302	8.5
197.11818	2.5
199.13264	3.0
205.12274	1.9
209.11758	38.3
210.12131	2.4
211.13391	6.4
239.09259	2.1
245.19044	29.6
246.19328	1.5
261.18585	4.0
263.20206	10.2
271.17050	3.1
279.19592	5.2
289.18103	45.9
290.18469	3.0
307.19135	100.0
308.19449	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	307.1913
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03312	10.9
59.01224	10.8
69.47894	24.7
69.48288	5.9
71.01253	7.5
71.19911	2.9
83.04881	5.1
95.04905	4.5
97.06465	24.3
109.06458	7.0
111.08045	8.1
119.78628	3.1
125.09597	6.0
127.11082	3.3
137.09618	4.3
140.72697	2.6
147.11723	2.6
149.09605	4.9
151.11176	18.2
153.09123	4.8
155.10675	10.6
163.11168	5.0
165.12761	21.4
167.10619	5.8
169.12273	3.7
177.12750	3.6
179.10701	5.3
181.12262	22.3
191.10660	9.3
191.14331	8.3
197.11708	3.2
209.11769	50.6
210.12108	4.6
211.13239	6.1
245.19049	38.9
263.20062	10.1
271.17062	6.2
279.19543	5.6
287.90317	3.4
289.18073	46.3
290.18329	3.9
307.19110	100.0
308.19476	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.3
59.01234	4.3
60.23855	1.1
69.03326	1.0
70.01492	4.5
71.01237	1.8
71.04881	1.3
73.02818	1.8
80.02576	1.2
83.04893	1.0
91.52692	0.9
95.04890	3.2
97.06469	3.6
98.20493	1.1
107.08533	16.3
109.06470	1.3
113.05932	1.3
119.08527	6.0
121.06477	1.5
122.39929	1.0
123.04338	1.7
123.08047	4.8
125.05941	1.9
125.09623	14.3
127.11105	1.2
135.08023	1.1
137.09630	11.1
139.11136	1.7
149.09625	1.6
151.11153	2.1
153.09134	1.6
155.10681	1.5
171.10168	5.4
172.07854	1.0
175.11250	1.0
177.09198	1.2
181.12257	2.5
182.77837	1.0
183.09909	1.0
183.13811	1.8
185.11678	1.8
191.14369	2.1
199.09691	19.8
199.13397	2.1
200.10457	6.2
209.11748	2.6
209.15424	2.7
213.11269	5.6
237.11290	5.0
245.19092	19.1
261.18530	1.2
263.20190	6.1
271.17050	2.5
279.19675	1.6
289.18091	37.3
290.18433	2.2
307.19128	100.0
308.19400	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	307.1914
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.01212	0.9
57.03313	2.4
59.01247	6.5
69.03279	1.5
70.34199	1.9
70.34570	3.0
71.01259	1.6
71.32533	0.8
81.03309	1.2
83.04883	2.2
93.03368	1.4
95.04896	1.4
97.02779	1.5
97.06487	1.5
98.03603	1.4
105.07014	1.1
108.67759	1.0
109.06449	1.6
115.07553	1.8
119.08554	1.2
121.02825	1.0
121.06480	2.1
123.04356	1.1
123.08069	6.9
125.09585	3.0
131.04938	1.2
135.08011	1.6
137.09604	4.2
139.11186	7.2
141.09123	1.7
149.09641	0.9
151.11159	2.6
153.12753	2.1
155.10645	1.2
163.11221	1.5
167.10672	4.3
169.12315	1.6
177.12741	0.9
181.12228	1.6
183.10236	1.0
183.13963	0.8
190.64944	0.9
191.10591	1.0
191.14377	5.7
199.13271	3.2
201.11156	1.4
209.11772	5.3
213.11253	1.9
219.61516	0.9
224.10515	0.9
227.12837	2.1
245.19038	16.2
257.05975	0.9
261.18713	1.7
263.20120	5.5
271.17007	2.1
273.80609	1.0
279.19711	1.7
289.18085	37.3
290.18481	2.5
307.19138	100.0
308.19455	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	307.2276
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.09002	0.5
56.87057	0.5
58.31102	0.5
67.24215	0.6
73.39314	0.6
98.20543	1.5
177.28105	0.6
228.81134	0.6
289.17996	0.8
307.22766	100.0
308.23105	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	309.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53061	3.2
52.77090	2.9
57.03318	5.9
58.00458	3.8
59.01250	100.0
69.03329	60.4
69.33443	22.9
69.33852	8.5
71.01253	88.5
72.25237	3.2
72.99187	10.6
73.02827	7.7
75.00748	30.1
77.59309	3.3
83.01232	4.7
83.83321	2.9
85.02814	17.4
85.70821	3.0
87.00749	13.7
87.04388	3.6
89.02313	56.1
93.03329	9.2
95.01299	7.6
97.02823	86.2
99.00747	20.4
101.02339	9.8
113.02316	11.7
113.17091	2.8
123.00748	4.0
129.01794	8.5
131.03413	6.6
135.98621	3.3
136.01521	5.0
136.07590	5.2
141.01819	31.3
146.06052	4.9
149.04413	9.5
191.05550	6.1
193.05052	6.5
215.32639	3.4
229.04228	21.3
273.06238	4.4
285.03833	4.1
285.53052	3.5
291.07288	22.1
309.08380	23.7
309.13315	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	309.1189
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.12859	1.5
55.01764	1.9
56.03031	1.4
57.03308	2.1
58.00440	2.7
59.01247	70.6
71.01253	37.6
72.99178	3.8
73.02810	5.2
74.98899	1.8
75.00732	3.5
83.01252	4.0
83.04892	2.0
85.02831	9.4
87.00724	2.4
89.02316	32.2
93.03384	1.9
95.01260	3.1
97.02797	1.7
99.94119	1.4
101.02313	23.9
111.04393	3.0
113.02328	11.9
119.03382	15.2
120.99516	4.8
129.05467	14.7
133.13635	1.8
147.06552	14.7
161.04477	4.6
179.05466	2.5
185.76003	1.5
229.04335	2.3
249.00183	3.0
309.11893	100.0
310.12268	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.9
59.01250	1.7
71.45631	0.7
71.45963	0.9
83.04910	0.8
96.45295	0.5
96.95875	1.1
97.06468	1.0
111.08050	1.1
113.09550	0.6
123.04395	0.7
123.08069	2.3
125.09594	4.6
135.08090	0.6
137.09616	3.6
139.11176	1.9
141.09073	0.8
148.05194	68.2
149.05626	2.9
151.03970	1.0
151.07541	1.8
151.11194	1.5
152.08296	1.5
153.09131	1.0
155.10672	1.1
155.14304	1.0
165.05492	1.0
165.12769	1.0
169.12344	1.2
171.10202	5.1
179.01651	9.1
179.14328	0.8
180.04190	100.0
181.04524	3.6
183.13808	2.1
185.11726	2.4
185.34946	0.6
193.12216	0.6
195.13893	1.0
197.02728	0.9
197.11775	2.3
199.09645	2.9
200.10451	3.3
201.11331	0.6
209.11778	0.7
209.15356	3.0
211.13261	0.9
211.16949	0.9
219.17470	0.6
229.92018	0.7
240.13412	0.6
247.20627	10.1
257.15366	0.9
263.20184	1.1
265.21695	32.6
266.22073	3.1
273.18631	1.5
281.21274	1.1
291.19638	32.3
292.19986	2.4
309.14920	6.2
309.17526	2.8
309.20663	81.8
310.15622	0.8
310.21045	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	309.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40587	0.4
59.01231	0.9
62.68728	0.4
69.48931	1.5
69.49360	2.2
79.95600	8.8
80.96387	1.1
94.97961	0.9
95.95094	3.1
96.95884	84.2
97.02780	0.4
103.07244	0.4
111.08045	0.5
120.19434	0.4
122.97461	3.7
125.09566	0.8
137.09624	1.0
139.11171	1.2
151.03868	0.6
151.07565	1.7
151.11148	0.7
152.08344	0.7
153.12767	0.5
154.33929	0.4
155.10678	0.6
167.10712	0.6
171.10181	2.2
185.11729	1.8
193.12117	0.5
193.15834	0.8
197.11743	0.9
209.11679	0.6
209.15372	1.8
223.16948	0.8
247.20612	1.6
249.83099	0.5
265.18143	0.7
265.21564	0.6
291.19699	11.4
291.22983	1.1
292.20132	0.8
309.17422	100.0
309.20715	17.6
309.24622	4.7
310.17752	5.9
310.21078	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38247	1.1
54.57927	1.2
57.03321	2.0
57.43925	1.1
58.57090	1.3
59.01249	3.0
66.02905	1.2
68.50216	1.1
69.03333	6.4
71.04893	1.4
71.08092	3.0
75.47742	1.1
83.04880	1.8
85.95351	1.1
91.04726	1.0
97.06441	1.4
102.67432	1.3
107.08549	2.5
108.05650	2.3
113.11278	1.1
119.01684	1.3
119.08554	23.6
121.10128	2.1
125.09615	11.2
127.11136	3.9
135.08060	3.0
136.86777	1.5
137.09621	35.2
138.09944	1.4
139.11201	1.7
151.11230	1.9
153.09091	1.7
154.48300	1.3
155.10648	5.1
167.10672	5.2
171.10179	100.0
172.10489	4.3
177.56168	1.2
183.10175	4.7
185.11755	27.4
195.10213	1.9
195.13872	1.4
195.74214	1.4
197.11877	5.8
201.11160	7.5
211.13315	2.7
213.11276	10.4
229.19557	2.9
273.18558	11.7
291.19653	32.5
292.20020	3.1
309.20691	67.7
310.20953	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	309.2071
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.81761	0.3
57.03349	0.9
58.57747	0.3
59.01258	2.3
69.03349	0.7
71.01289	0.4
71.04918	0.8
71.29774	0.8
71.30117	0.4
71.97532	0.3
72.68418	0.3
73.02810	0.4
80.02582	0.9
81.03392	0.7
83.04929	0.9
85.02864	0.5
93.03383	0.3
95.04953	1.0
96.95932	0.6
97.02831	4.8
97.06493	0.5
99.92494	0.6
109.06508	0.7
111.08022	1.9
113.09621	0.5
116.92789	0.9
123.04381	2.2
123.08081	1.7
125.09676	1.2
127.07584	0.7
136.04909	0.3
137.09605	1.8
139.07562	0.7
139.11214	0.9
142.02643	0.8
148.08821	0.9
151.07588	0.8
151.11180	3.2
152.08362	0.5
153.09166	0.9
153.12825	0.7
163.11284	0.7
165.12775	0.5
167.10759	0.5
167.14333	0.7
169.12276	0.6
171.10182	2.6
177.12787	1.3
179.10587	0.4
179.14323	0.5
181.12271	0.6
185.11719	1.6
193.16032	0.5
195.10141	0.4
195.13849	3.2
197.11763	3.0
202.88371	0.4
203.14357	0.9
203.84892	0.3
206.41742	0.3
209.11795	0.7
211.13347	1.5
221.11775	4.0
221.15375	0.7
223.13219	0.4
237.14859	0.6
239.12753	2.3
240.13609	1.2
247.20604	5.5
263.20023	0.5
265.18109	0.5
265.21552	0.5
273.18576	1.5
291.19629	100.0
292.19965	8.0
309.20660	54.4
310.21014	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79160	1.4
57.03314	4.2
59.01251	2.3
59.12241	1.6
69.03306	1.8
69.35183	12.1
71.04891	13.5
79.29179	1.6
81.03319	2.0
82.62590	1.7
83.04871	1.7
96.95870	1.5
97.02831	2.2
97.06458	5.9
107.04886	1.6
121.10116	10.1
122.92636	1.4
123.04418	1.6
123.08005	2.1
125.09589	8.6
132.48376	1.5
137.09615	22.3
137.49448	1.7
141.12782	2.2
155.82431	1.3
167.69034	1.4
171.10176	41.4
181.12161	1.9
183.13794	3.0
185.11740	13.5
191.05357	1.5
193.12070	1.6
196.49171	1.4
197.11775	3.2
207.13824	2.5
209.11839	1.5
219.13873	1.7
223.13226	1.7
228.89626	1.4
230.80247	1.4
235.16922	2.5
237.14925	2.6
247.20583	2.4
251.16473	33.5
273.18625	2.7
291.19638	98.4
292.20001	6.6
299.83582	1.4
309.20670	100.0
310.21069	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.9
57.03314	2.5
59.01243	3.4
64.81686	0.7
69.03323	0.7
71.04891	25.9
72.05213	1.0
72.47481	0.7
83.04922	0.9
95.04894	2.8
96.95900	1.0
97.06463	7.7
98.19573	0.8
107.04861	1.0
111.08035	1.1
119.08553	1.4
121.10107	7.1
123.08041	1.7
125.09604	5.4
127.11180	1.4
135.08003	1.3
137.09613	27.6
138.09964	1.3
141.12723	1.3
171.10168	66.9
172.10420	3.5
181.12204	1.6
185.11783	9.7
207.13860	1.5
209.11740	1.4
211.13300	1.4
213.14835	0.9
217.15860	1.1
219.13857	2.8
233.15407	2.6
235.16959	2.3
237.14941	4.2
238.59126	0.9
247.20581	3.8
251.16487	20.1
252.16852	2.0
263.20074	1.5
273.18616	2.7
291.19647	80.8
292.19940	8.6
307.99222	0.9
309.20679	100.0
310.21017	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.1
67.01768	1.3
69.95528	5.2
79.66933	1.1
83.04895	1.8
88.78421	1.0
90.94686	1.1
95.04901	1.0
97.02811	1.7
97.06480	2.0
111.53681	1.0
121.10120	11.1
125.09637	7.9
125.51067	1.2
130.00999	1.1
131.40224	1.0
137.09596	3.7
138.87900	1.0
140.98203	1.2
150.98383	1.0
167.14311	1.5
171.10130	6.4
185.11751	11.7
197.11754	2.6
204.52103	1.0
209.11757	1.4
211.13327	60.5
212.13626	3.4
221.11761	3.0
239.37886	1.3
247.20445	1.4
247.31767	1.0
273.18533	1.3
291.19632	100.0
292.19952	9.6
309.20703	21.1
310.20996	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09168	0.4
57.03328	0.9
59.01259	0.6
59.15187	0.4
69.03329	2.0
71.19035	1.1
80.02557	0.8
81.03352	0.7
83.04903	0.9
85.02817	0.8
86.28662	0.5
91.00767	0.4
92.26571	0.5
95.04901	0.5
97.02821	18.3
97.06464	0.7
98.70806	0.5
111.08029	0.8
119.08537	1.6
121.10125	0.5
123.04397	2.0
123.08072	1.4
125.05949	0.6
125.09631	1.5
130.16789	0.5
132.10736	0.5
135.08064	0.8
137.09601	5.6
139.11159	0.7
142.02664	0.7
148.08821	1.0
151.11179	2.7
153.09123	1.2
153.12669	0.7
155.19200	0.5
165.12675	0.5
167.14337	0.8
169.12210	0.5
171.10175	10.0
175.11128	0.6
177.12744	1.7
183.10074	0.6
183.13852	1.3
185.11726	2.6
193.12332	0.8
195.13808	3.5
203.14259	0.9
211.13330	1.3
221.11794	4.0
233.15367	2.0
239.12798	2.9
240.13635	1.1
247.20679	5.7
251.16451	0.7
273.18640	2.4
291.19641	100.0
292.19974	7.8
309.20682	67.7
310.21066	5.5
329.17734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17664	0.9
57.03314	2.2
59.01251	1.7
63.69302	0.8
66.91671	1.0
69.03335	6.5
71.21561	2.0
80.02531	1.1
81.03336	1.1
83.04891	4.8
84.02000	1.1
85.02816	4.7
87.54893	1.0
89.17857	1.0
97.02826	53.8
99.00800	1.6
106.11543	1.1
109.06462	1.1
109.95417	0.9
111.08047	2.7
119.08537	4.1
125.09621	3.9
130.40785	0.9
137.09610	20.5
139.11206	1.1
149.44818	1.3
151.03914	4.6
151.07542	6.4
152.08345	9.6
155.10664	2.7
163.11211	2.0
165.12790	1.8
171.10185	40.7
177.12749	1.6
181.12309	1.1
183.13809	1.8
184.07419	1.6
185.11772	4.0
195.13771	2.9
197.11765	3.5
201.11394	1.3
209.15413	11.1
210.15643	1.6
211.13307	3.9
221.11885	5.3
222.46872	1.0
229.19772	1.1
239.12854	3.9
247.20552	2.0
252.09943	1.9
265.17993	2.8
271.36551	1.2
273.18665	5.5
291.19662	39.5
292.20023	4.4
297.31638	1.0
309.17053	18.8
309.20694	100.0
310.17484	2.3
310.21011	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45429	1.4
54.75431	1.3
55.23585	1.3
57.03312	2.5
59.01250	3.4
62.93200	1.4
68.25280	1.2
69.03313	3.9
71.04879	1.5
71.14706	1.8
83.04917	1.4
89.44241	1.3
97.02820	2.0
108.05589	1.3
111.08013	1.4
119.08533	13.3
121.06498	1.7
123.08082	1.7
125.09608	7.0
127.11172	3.4
135.08058	2.5
137.09612	32.2
139.11183	1.5
148.78255	1.4
151.11224	1.9
153.09164	2.2
155.10684	5.0
167.10721	2.4
171.10165	100.0
172.10527	4.7
183.10182	6.0
185.11737	25.9
195.10013	1.5
201.11194	4.7
211.13223	2.1
213.11285	6.8
229.19620	2.9
260.80988	1.6
273.18536	10.0
291.19629	39.3
292.19940	2.6
309.17273	1.3
309.20651	34.8
310.21008	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02028	1.2
57.03304	1.6
57.43150	1.2
58.00462	1.6
59.01246	2.1
70.05077	7.1
109.06484	2.4
111.08036	35.9
127.07558	3.2
169.12239	7.0
171.10161	3.4
181.12233	2.4
183.13763	1.2
197.11769	100.0
198.12025	3.9
199.13335	3.0
209.15300	3.1
211.13356	9.6
217.96581	1.4
225.14937	5.9
227.12759	4.5
235.16882	1.4
251.16502	3.4
263.20111	5.9
265.18039	1.9
291.19629	19.9
292.19910	1.8
293.20908	1.4
301.31812	1.2
303.42163	1.3
309.17218	2.5
309.20679	35.6
310.20996	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30873	0.9
57.25888	0.9
57.87403	0.9
58.00456	1.4
64.16290	1.3
67.84515	1.0
71.08175	2.4
79.01606	1.0
109.06507	2.0
111.08040	28.4
127.07529	1.8
130.51825	1.1
137.09601	1.2
151.11163	1.3
153.12698	1.2
155.10640	1.5
169.12306	5.0
171.10152	4.3
181.12234	2.1
183.13885	1.2
197.11758	100.0
198.12160	5.1
199.13310	3.8
211.13322	9.5
217.75381	1.0
218.35193	0.9
227.12752	1.7
253.50139	1.0
263.20175	6.8
265.17947	2.2
273.18579	2.3
291.19626	24.6
292.19986	2.5
309.20697	37.1
310.21021	2.8
327.01395	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	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85714	0.4
58.00443	0.5
59.01227	0.6
71.07803	1.2
97.06456	0.6
104.95476	0.5
123.08039	1.2
125.09612	4.7
127.11191	1.4
137.09616	1.1
139.11160	0.6
141.09082	1.2
153.09053	0.9
155.10722	1.2
155.60355	0.5
156.53960	0.5
158.95074	0.5
169.08487	0.5
171.10146	2.9
183.13806	0.8
185.11818	0.6
199.09686	5.6
200.10475	6.3
201.09535	0.5
201.11125	2.9
213.11226	1.2
225.30278	0.5
247.20627	5.8
260.01538	0.6
265.21616	1.5
273.18646	0.7
281.20999	0.7
291.19641	13.9
292.19891	0.9
305.89084	0.6
309.20679	100.0
310.21017	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
59.01252	1.5
69.98565	0.6
71.19355	1.2
80.02544	0.6
113.09640	1.0
123.04423	1.9
123.08051	1.3
125.09631	1.9
130.36287	0.7
137.09587	1.1
138.12440	0.6
139.11157	1.0
142.02655	1.1
150.72862	0.6
151.07594	0.9
151.11191	4.7
153.09123	1.8
153.12790	0.9
169.12274	0.9
171.10147	0.7
175.11134	0.8
175.98784	0.6
177.12766	1.3
179.14220	0.6
185.11801	0.9
193.15996	0.8
194.13171	0.8
195.13858	1.0
200.10497	1.2
203.14436	0.8
209.11784	1.1
211.13539	0.8
221.11760	1.8
247.20663	7.7
248.21054	0.8
265.21710	2.0
273.18567	1.1
291.19635	100.0
292.19949	6.9
309.20673	65.7
310.21014	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.4
57.03325	2.5
59.01242	1.6
67.01749	3.4
69.03332	2.4
70.21281	4.0
71.04888	4.3
80.02538	10.0
81.03325	5.9
82.41990	1.2
82.42518	1.2
83.04397	1.6
83.04897	31.9
84.02031	14.6
95.04897	2.0
97.06452	4.8
99.08038	7.8
109.06447	3.5
109.23088	1.3
110.03689	1.4
111.08048	2.2
113.09583	3.7
115.07521	5.5
123.04411	4.9
123.08060	2.6
125.09621	7.6
127.07551	1.8
127.11163	7.5
135.08000	1.9
137.09616	52.4
139.07486	1.3
139.11211	8.2
145.17241	1.1
148.12848	1.3
151.11151	4.6
153.09109	11.3
153.12717	2.5
155.10670	57.4
156.11028	1.5
163.11130	1.6
165.12790	2.2
167.10623	4.3
169.12277	2.1
171.10170	53.4
172.10565	1.7
177.12749	1.7
193.12263	27.7
194.12662	2.5
194.94746	1.3
195.13857	1.7
209.11714	3.7
211.13350	3.9
221.11650	2.0
224.42368	1.2
247.20671	7.3
263.20126	7.9
265.21655	6.6
267.64615	1.3
281.21231	1.4
291.19644	100.0
292.20084	7.6
299.47116	1.2
309.20676	75.7
310.21042	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52521	1.3
57.03302	1.9
59.01238	3.7
61.51464	1.2
69.30447	10.6
69.30856	3.2
80.02522	2.7
81.03315	1.6
83.01263	7.2
83.04873	3.7
94.78610	1.3
95.04855	1.9
97.06452	3.1
113.09594	1.5
123.04399	4.0
123.08017	5.0
124.48039	1.2
125.05928	1.7
125.09604	10.7
139.11186	9.8
141.09137	1.5
151.11212	1.9
153.12791	1.4
155.10675	2.4
163.11215	6.3
165.12773	13.8
167.10674	4.9
168.11378	1.8
171.10146	5.0
181.12170	3.8
185.11763	3.7
191.10670	2.7
193.15872	5.4
207.10275	2.1
209.11758	49.9
210.12073	4.3
225.11171	1.6
247.20654	13.6
265.21707	4.0
273.18704	4.0
281.21231	1.9
291.19644	100.0
292.20114	7.8
301.67429	1.4
309.20673	33.1
310.20972	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.8
58.00458	2.3
59.01233	2.2
67.20447	1.6
68.14870	1.4
77.24337	1.2
80.02543	11.8
84.02056	2.6
85.06496	1.7
97.06461	4.1
98.20550	3.4
123.08057	21.5
125.09605	21.5
127.11157	9.7
132.71420	1.4
137.09616	13.1
139.11145	6.7
141.08997	1.6
141.12733	1.9
153.09120	3.1
155.10667	49.8
156.11035	1.6
167.10718	5.4
171.10172	97.8
172.10576	3.6
184.11028	2.0
185.11739	100.0
186.12010	2.9
204.22217	1.3
212.10457	4.2
247.20604	5.4
263.20068	7.8
265.21725	3.9
281.21246	14.3
291.19644	39.6
292.19870	3.2
309.20673	39.2
310.21136	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	309.2069
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.88579	1.8
55.40130	1.6
58.00500	3.1
59.30060	1.7
59.51770	1.9
69.47000	18.7
80.02555	5.1
83.04888	2.3
85.21529	2.0
91.68573	2.2
96.02214	2.0
96.95905	5.7
97.06454	3.3
98.60271	2.0
102.34187	1.8
123.08068	16.5
125.09590	19.3
127.11156	5.8
137.09583	12.8
139.11127	5.0
141.09116	4.0
141.12767	2.7
153.09152	2.8
155.10674	46.9
167.10692	6.2
169.12173	3.0
171.10173	100.0
172.10536	4.1
182.74519	1.9
185.11755	89.1
186.12067	3.1
212.10439	2.9
247.20610	6.6
263.20206	6.7
265.21774	8.2
281.21274	11.6
291.16675	3.4
291.19687	38.8
292.20020	4.2
309.17374	9.8
309.20703	34.8
310.20920	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03313	1.8
59.01247	4.2
69.03326	0.5
71.04901	0.6
83.04866	0.8
83.43896	0.6
95.04890	0.6
96.95882	5.4
97.06487	0.9
98.19754	1.4
107.08527	0.9
111.08023	1.3
123.08040	0.9
125.09617	3.5
129.72952	0.6
134.50291	0.6
137.09605	2.3
139.07553	0.9
139.11183	7.0
141.09073	0.8
141.12723	1.2
151.07556	0.9
151.11169	1.0
152.08244	1.0
153.09105	1.0
155.10681	1.5
165.12791	1.1
167.10669	3.8
169.12282	3.1
171.10150	1.7
176.41193	0.5
183.10201	2.0
185.11765	1.6
193.12257	1.4
193.15883	4.7
197.11676	0.7
204.42682	0.6
209.15248	1.1
213.11261	1.9
214.12010	1.2
219.17476	0.8
229.45107	0.8
237.22150	0.7
240.13692	0.7
247.20566	5.9
250.72289	0.6
263.20209	0.8
265.21680	2.6
273.18558	2.4
281.21127	1.2
291.19650	33.9
292.20010	2.7
309.17401	7.8
309.20667	100.0
310.17874	1.0
310.21024	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.4
59.01239	3.7
66.14585	0.6
67.47389	0.7
75.00762	0.7
80.99017	0.7
83.04888	2.0
96.95899	7.7
107.08585	0.9
107.75433	0.7
111.08014	1.3
123.08022	0.8
123.88313	0.8
125.09579	2.9
137.09610	2.2
139.11171	4.8
141.09073	1.0
141.12714	2.1
149.09657	0.8
151.07521	2.1
151.11115	0.8
152.08214	0.7
153.09123	1.0
155.10678	1.7
165.12738	1.1
167.10669	2.9
169.12221	3.8
171.10184	1.9
179.14172	0.9
183.10168	2.4
185.11732	2.0
193.12152	1.4
193.15941	5.1
197.11713	1.2
201.11383	1.2
209.15468	1.7
211.13260	1.1
213.11246	0.9
214.11949	0.7
219.17580	1.2
247.20616	7.2
265.21701	2.1
273.18573	2.7
276.78165	0.7
281.21213	2.2
291.19659	33.5
292.19992	2.9
309.17392	10.0
309.20670	100.0
310.21036	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	310.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.9
67.01759	2.0
68.01292	16.2
69.03325	21.0
69.70592	2.2
70.99818	3.8
71.01254	2.0
79.01765	27.7
81.02074	6.1
83.04894	3.1
83.81270	1.6
84.04420	52.4
85.02813	2.3
85.04749	2.0
93.03353	2.4
95.01242	15.7
96.95914	2.0
98.09505	1.8
100.03927	38.9
102.05485	2.7
108.02048	2.6
108.04424	6.8
110.06001	45.7
122.02347	11.0
123.04411	63.1
124.04798	2.9
127.03892	23.5
134.03639	4.9
135.04440	4.2
136.01581	2.9
136.03894	2.2
137.02322	2.3
142.08696	8.6
148.03914	4.7
151.03894	4.4
154.05011	44.7
155.03439	10.1
161.04298	1.7
163.03847	2.2
164.07057	6.2
165.04288	1.9
168.06526	9.9
171.90939	1.9
180.06580	100.0
181.06845	2.8
186.07639	93.2
187.07930	4.5
188.16069	2.2
196.09779	9.6
224.09212	4.6
235.05878	2.2
240.08734	24.7
266.10367	13.9
283.17035	1.6
299.39017	2.1
300.49063	1.7
310.09805	2.2
310.13123	7.8
311.11481	2.8
311.14929	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	310.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.9
67.01759	2.0
68.01292	16.2
69.03325	21.0
69.70592	2.2
70.99818	3.8
71.01254	2.0
79.01765	27.7
81.02074	6.1
83.04894	3.1
83.81270	1.6
84.04420	52.4
85.02813	2.3
85.04749	2.0
93.03353	2.4
95.01242	15.7
96.95914	2.0
98.09505	1.8
100.03927	38.9
102.05485	2.7
108.02048	2.6
108.04424	6.8
110.06001	45.7
122.02347	11.0
123.04411	63.1
124.04798	2.9
127.03892	23.5
134.03639	4.9
135.04440	4.2
136.01581	2.9
136.03894	2.2
137.02322	2.3
142.08696	8.6
148.03914	4.7
151.03894	4.4
154.05011	44.7
155.03439	10.1
161.04298	1.7
163.03847	2.2
164.07057	6.2
165.04288	1.9
168.06526	9.9
171.90939	1.9
180.06580	100.0
181.06845	2.8
186.07639	93.2
187.07930	4.5
188.16069	2.2
196.09779	9.6
224.09212	4.6
235.05878	2.2
240.08734	24.7
266.10367	13.9
283.17035	1.6
299.39017	2.1
300.49063	1.7
310.09805	2.2
310.13123	7.8
311.11481	2.8
311.14929	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	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	4.7
55.78253	1.7
59.01249	12.0
70.96180	2.6
70.96509	2.8
71.01253	5.4
72.99183	3.3
73.02798	5.8
74.02366	1.8
75.00748	41.7
85.02827	1.9
87.00716	2.1
89.02289	4.2
93.03336	3.6
101.02293	3.2
107.54232	1.6
114.96648	1.9
119.04147	3.2
119.04913	32.3
121.71896	1.6
129.01808	9.9
147.02911	5.7
149.04443	5.9
159.07837	1.8
163.03912	41.7
165.03954	100.0
166.04253	2.3
177.09369	1.8
194.44991	2.0
209.42300	1.9
229.54459	8.8
285.03967	1.9
311.09848	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	311.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
70.97357	2.4
70.97683	2.3
71.01256	7.2
72.99164	1.5
73.02819	3.4
85.02821	3.1
89.02322	2.7
99.00708	1.5
101.02325	10.2
113.02339	3.4
161.04474	9.9
214.06483	1.9
251.11314	24.4
285.03101	1.6
311.22351	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1653
Annotation	TRIPTOPHENOLIDE
Peak:m/z	Relative Intensity
57.03308	0.4
59.01247	3.8
64.84391	0.3
69.03339	0.4
71.01255	0.5
71.04881	0.3
71.30240	0.7
77.18047	0.3
83.04876	0.8
85.02847	0.4
90.69485	0.3
97.06467	0.6
101.02370	0.3
111.08043	0.3
112.88705	0.3
113.09560	0.4
116.03277	0.3
121.02844	0.4
125.09565	0.9
127.11111	0.4
137.09610	0.8
139.07518	0.4
139.11240	0.4
153.12604	0.3
155.10603	0.7
157.08577	0.4
161.04335	0.3
163.99768	0.3
165.09216	0.4
169.12192	0.4
171.10083	0.6
186.06758	1.3
195.10135	0.7
195.13783	0.7
201.11247	0.5
211.07571	3.7
211.13324	0.8
212.08354	12.9
212.13872	0.3
213.08928	1.2
213.14801	0.4
214.06335	1.9
225.50563	0.3
239.07246	0.3
244.07387	4.1
249.22263	0.4
251.11273	0.4
265.17914	0.3
267.13943	0.5
267.19617	0.7
291.19485	0.3
293.17535	0.7
293.20975	3.6
295.13382	6.4
296.13913	1.9
311.16486	100.0
311.21902	16.8
312.16846	7.9
312.22549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1863
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
50.45150	0.5
51.04796	0.5
51.62300	0.5
56.09537	0.6
59.01258	3.7
62.07393	0.5
71.04887	0.7
71.19513	1.3
80.65702	0.5
86.37584	0.6
86.78774	0.6
90.72607	0.6
97.06460	1.0
111.08047	1.1
121.02863	0.9
121.35287	0.6
123.04442	0.6
136.05173	1.0
138.07657	0.6
157.08592	1.4
167.14294	3.0
171.10181	1.7
175.42174	0.7
186.06709	1.5
211.13361	0.8
214.06282	2.2
223.20610	2.3
249.18546	4.8
267.19635	100.0
268.19943	7.9
275.16486	7.9
293.17612	40.3
293.21036	6.4
294.17914	2.5
304.00406	0.6
311.18600	34.1
311.22220	19.9
311.29633	0.7
312.18933	2.7
312.22653	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	311.1863
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
57.03310	5.0
58.00465	1.4
59.01253	13.4
69.03321	1.9
69.39016	9.6
71.01254	2.5
71.04892	1.7
73.02829	2.4
83.04871	1.6
85.02792	2.4
87.04395	1.8
95.04862	1.5
95.74345	1.1
96.87568	1.1
97.06467	35.1
97.07087	2.0
98.06826	1.3
105.03374	1.2
109.06479	3.2
110.03631	1.2
111.08046	1.7
113.09579	1.1
121.02876	1.3
121.06492	2.1
123.08048	10.0
125.05969	1.5
125.09605	34.7
125.10526	1.8
126.09953	1.3
127.11178	14.3
135.08075	1.3
137.09650	3.2
139.07556	4.3
139.11174	1.5
141.09126	3.6
150.06757	3.9
151.11211	3.8
151.64699	1.2
153.09143	2.8
155.10678	6.1
165.09125	5.2
169.12294	2.3
171.10187	17.2
183.10223	1.7
186.06757	6.6
195.10190	5.9
199.09724	4.5
201.11250	100.0
202.11584	4.3
209.11726	1.6
213.11258	64.9
214.06310	5.3
214.11581	3.7
219.09882	1.4
227.12889	1.5
231.17413	2.4
249.18448	1.7
250.12021	2.1
275.16492	24.3
276.17014	1.6
293.17590	46.6
293.20999	3.0
294.17917	3.9
311.18628	93.7
311.22025	6.1
312.19119	6.5
334.96671	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86266	2.7
73.61713	0.5
82.36870	0.6
129.81667	0.5
145.03578	0.5
154.09912	0.8
154.11714	0.5
167.14392	0.7
177.12770	1.5
195.13828	2.2
196.65556	0.5
249.22144	1.8
293.21213	66.2
294.21552	5.1
311.22260	100.0
312.22586	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44024	0.5
54.69791	0.6
55.97908	0.5
57.03310	2.0
59.01241	0.8
65.84246	0.5
67.33759	0.5
69.03302	0.6
70.03519	2.8
70.03816	0.7
85.06410	0.5
97.02776	0.8
97.06448	1.3
111.07998	0.6
113.09594	4.2
121.10112	2.0
125.09618	1.7
125.97121	0.5
127.11172	1.4
137.09613	1.1
139.11176	18.6
149.84325	0.5
153.09166	0.6
153.12738	0.7
155.10680	1.1
163.11179	1.5
165.12712	1.4
167.10724	1.5
171.10170	25.7
172.10509	0.9
185.11815	2.5
193.12309	0.9
201.11188	1.9
211.13327	2.9
249.22179	2.3
275.20090	1.2
293.21225	42.9
294.21597	3.7
311.22256	100.0
312.22629	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46037	0.8
57.03322	1.6
62.97567	0.9
64.17880	0.9
70.34465	3.7
99.08022	1.1
113.09611	1.1
117.48176	0.9
121.10030	1.0
123.08036	1.0
125.09656	1.5
127.11150	5.3
129.09099	2.4
137.09642	1.7
139.11186	11.3
151.11118	1.3
155.10680	2.4
169.12143	1.2
171.10167	59.8
172.10500	1.5
181.12279	1.3
183.10172	5.6
185.11771	8.3
193.12315	1.2
197.11746	2.8
199.13301	1.8
201.11221	13.2
211.13297	6.3
213.66809	0.9
225.94041	0.9
230.83630	0.9
241.98244	0.9
253.37851	0.9
262.68887	0.9
275.20251	5.0
293.21210	17.9
311.22250	100.0
312.22559	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39363	0.4
57.03315	0.7
59.01251	3.6
60.96161	0.5
68.07052	0.4
69.03317	0.5
70.86434	0.4
71.04896	0.9
71.19258	0.6
71.19604	0.8
72.08014	0.4
83.04890	0.6
97.06488	0.6
101.86159	0.4
111.08018	0.8
113.09618	2.4
115.07484	0.5
125.09602	0.9
127.11189	0.7
137.09645	1.3
139.10167	0.8
139.11159	5.0
141.12766	0.6
151.11172	0.6
153.12779	0.5
155.10690	1.0
156.10918	0.5
157.08592	2.0
167.14331	0.6
171.10172	11.6
172.10547	1.1
173.10626	0.7
183.01186	0.8
183.10272	1.1
185.11748	2.7
186.06955	0.6
193.96022	0.5
195.13908	2.6
195.17482	0.8
197.11707	1.2
199.13301	0.6
201.11284	1.3
211.13371	2.2
211.16913	0.5
214.06236	0.9
223.17049	1.6
239.16423	0.8
249.22627	0.4
265.21701	1.4
275.20123	1.0
293.21164	20.1
294.21429	1.1
311.16513	2.8
311.22247	100.0
312.22607	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	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69455	0.5
57.03311	0.7
59.01234	0.9
65.64658	0.4
69.47408	2.6
69.47835	1.3
76.76741	0.5
97.06461	0.6
98.20502	0.7
125.09579	2.7
139.11157	2.2
139.12480	0.4
141.09102	1.1
141.12698	1.4
143.10654	0.9
153.09061	1.1
155.10652	1.4
155.14310	1.6
157.12177	0.6
162.01259	0.5
167.10687	3.8
171.10129	1.4
185.11745	1.0
200.10420	2.0
206.40720	0.5
214.11897	0.5
218.04080	0.5
239.23615	0.7
239.77060	0.5
249.22192	2.2
265.21680	1.9
267.23294	1.2
275.20004	0.7
283.22845	0.7
293.21213	7.9
294.21399	0.6
298.13959	0.5
311.22241	100.0
312.22598	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.0
59.01236	1.2
69.27937	1.2
69.28356	4.1
81.67072	0.5
88.33472	0.6
93.06894	0.5
97.06441	1.2
123.08035	0.9
123.87021	0.5
125.09605	4.1
127.11185	0.5
134.51892	0.5
139.11134	1.3
141.09119	2.0
141.12772	1.4
151.07591	0.6
153.09077	1.4
155.14311	1.6
157.12221	1.5
170.03912	0.5
171.10164	2.7
181.15782	0.6
183.13770	0.7
199.09581	0.6
200.10432	3.4
214.56673	0.5
239.23691	1.2
249.22160	2.2
265.21777	1.4
267.23187	1.1
275.20154	0.9
293.21146	8.5
296.14233	1.4
307.11441	0.5
311.16443	4.5
311.22250	100.0
312.16724	0.7
312.22656	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	311.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.6
59.01257	0.9
70.11148	3.6
80.02525	1.6
83.04889	1.1
84.02061	1.0
97.06472	1.5
110.14382	0.8
113.09592	3.9
138.09990	1.0
139.11183	12.6
147.39131	0.9
154.52374	0.8
171.10176	17.3
172.10509	2.7
173.10736	1.8
177.12772	1.9
179.14357	1.8
180.79106	0.9
195.13803	1.8
205.12361	1.0
223.13336	63.4
224.13637	4.0
241.14400	3.1
248.07004	0.9
293.21188	30.3
294.21585	2.0
311.22250	100.0
312.22522	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	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.5
59.01220	1.4
61.34990	1.2
61.44933	1.1
62.44248	1.2
71.21727	2.4
71.22052	1.5
77.44267	1.3
84.76955	1.4
121.10107	3.2
123.08099	1.5
125.09593	4.6
127.11152	5.9
136.44673	1.3
139.11169	14.7
143.61201	1.4
151.11194	1.5
155.10683	3.8
171.10175	69.3
172.10580	1.8
183.10152	5.5
185.11740	16.7
193.12273	2.9
197.11783	2.0
201.11247	8.9
211.13345	3.6
252.94478	1.4
275.20111	5.9
276.44662	1.5
293.21198	26.8
294.21530	2.1
311.22238	100.0
312.22565	5.0
317.10080	1.4
330.64862	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	313.0716
Annotation	Sylpin
Peak:m/z	Relative Intensity
52.84736	0.2
59.01239	0.3
71.06617	0.5
81.81032	0.2
88.48303	0.2
89.02299	0.2
121.02834	100.0
122.03172	2.6
146.37076	0.2
180.05737	1.1
181.06493	4.7
184.09943	0.2
184.28491	0.2
225.05504	6.3
226.05827	0.5
295.18054	0.2
313.07156	13.6
313.17410	0.4
313.20294	0.7
313.23465	0.3
314.07492	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	313.0928
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
58.00465	4.5
59.01250	100.0
63.01682	2.1
71.01250	72.0
71.58410	2.5
72.99175	6.7
73.02810	4.9
82.10439	2.0
83.01279	2.1
85.02824	16.2
89.02314	84.5
95.01257	4.4
101.02326	46.9
106.91961	2.6
107.04893	14.7
113.02332	23.9
119.03384	35.5
123.04411	4.4
131.03386	3.6
143.03432	3.9
150.06783	17.9
151.02823	2.7
151.03923	28.8
151.07350	2.2
161.04489	5.4
179.05557	2.7
194.16678	2.3
198.72520	2.1
313.09424	14.6
313.12589	2.3
319.79077	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1802
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
52.88996	0.3
57.03314	0.6
59.01243	1.6
67.45261	0.3
71.01241	0.7
71.16924	0.5
72.99174	0.6
79.85691	0.3
93.03310	0.8
113.05966	0.5
121.10101	3.3
139.11169	1.2
141.09024	0.3
147.08080	0.5
149.02248	0.3
151.06084	0.4
173.09692	0.3
175.07341	0.6
175.11258	0.4
176.92117	0.3
188.97090	0.4
191.06709	0.3
199.11295	0.5
201.12788	0.3
207.09955	3.5
215.14342	0.7
216.87582	0.3
217.15842	0.7
219.06604	0.4
227.18008	1.2
230.98080	0.6
241.16002	0.3
243.17566	1.0
245.19075	8.8
246.19365	0.8
251.22980	0.3
255.10179	0.6
255.13763	0.3
268.11014	0.4
283.13379	7.3
284.13748	0.7
285.18512	0.7
295.16760	1.1
295.22034	0.5
297.14893	3.3
298.15701	11.3
299.16028	0.9
311.16254	0.9
313.17978	100.0
313.23770	3.1
314.14645	0.3
314.18347	8.0
330.14658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	0.3
63.90361	0.3
70.65375	0.8
71.01257	1.7
73.27384	0.3
83.15412	0.3
86.00252	0.3
127.11147	0.4
128.11546	0.3
139.11121	0.6
140.11526	0.6
171.10158	1.6
172.10532	2.5
173.10686	2.6
182.57387	0.4
186.86722	0.4
187.12286	0.6
199.11226	1.3
202.11540	0.5
203.11757	0.9
241.15910	6.5
265.12341	1.0
267.14038	0.3
272.33896	0.3
277.20667	0.5
283.13837	0.3
283.16992	1.8
295.16782	0.4
295.21890	1.7
297.14926	3.1
298.15668	3.4
299.16333	0.4
313.18073	100.0
313.22879	11.1
314.18387	9.5
314.22345	0.6
330.14841	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	313.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
70.13342	0.5
70.13761	0.7
71.01244	0.6
72.95037	0.2
79.49654	0.2
85.39688	0.2
91.78992	0.2
183.08183	0.3
197.09787	0.3
199.11232	0.6
202.06273	0.3
209.09686	0.3
211.07597	0.2
213.08995	0.3
241.15919	1.9
245.43925	0.3
265.12341	0.8
279.13864	0.3
280.14682	0.9
281.15356	0.7
283.13614	0.3
283.17062	0.6
297.14932	4.9
298.15692	8.8
299.15991	0.5
313.18073	100.0
314.18402	9.1
330.14590	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	313.1808
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
52.56972	0.2
59.01229	0.2
64.96910	0.2
69.46594	1.6
71.01238	0.2
82.42988	0.2
83.40306	0.2
85.12984	0.2
121.02846	0.5
162.31816	0.2
197.24397	0.2
199.07539	0.4
201.09074	0.3
213.09143	1.5
214.09914	7.5
215.10583	0.6
216.07846	0.2
229.08615	0.2
246.08949	2.4
255.13898	0.2
256.86148	0.2
297.14923	5.4
298.15665	0.9
313.18060	100.0
314.18396	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	313.1809
Annotation	Xanthoperol
Peak:m/z	Relative Intensity
58.88560	0.3
58.89300	0.2
59.01239	0.9
61.99503	0.3
68.71816	0.3
98.20655	0.7
118.34603	0.3
185.09685	0.3
199.11337	0.3
227.10783	0.6
239.07031	0.5
240.07886	3.7
241.08562	0.7
252.09129	0.3
253.08722	0.9
255.10242	0.5
255.13969	0.5
268.11023	6.7
269.11273	0.6
272.24237	0.3
281.15491	0.6
283.13382	30.9
284.13602	2.5
297.14944	1.3
298.15720	28.2
299.15924	2.1
313.18073	100.0
314.18411	8.0
330.14352	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	313.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13460	0.6
57.03316	6.8
58.00463	2.4
58.03682	0.5
59.01250	2.8
60.30564	0.5
61.02436	0.6
69.03353	0.8
69.46991	0.6
71.04906	1.1
71.58990	0.6
71.59341	0.7
73.02818	1.0
83.04921	1.7
84.02041	0.6
85.01383	0.6
85.02801	0.6
97.06466	1.5
99.08029	23.1
100.08392	0.7
113.09603	1.0
121.02836	0.6
123.08011	1.8
125.09609	9.3
127.11178	8.3
128.11452	0.9
137.09602	2.8
139.11177	1.6
141.09096	4.1
143.10764	0.7
151.11121	3.5
153.09146	1.3
155.10681	4.3
157.12291	0.9
161.76776	0.6
165.09120	4.0
167.10793	1.1
169.12354	0.7
171.10159	7.3
183.10191	1.9
191.05440	0.7
195.10165	3.8
196.10580	0.7
199.09677	2.6
200.55257	0.6
201.11250	75.4
202.11615	3.0
213.11258	41.9
214.11617	1.4
230.97957	0.7
233.19095	0.6
277.17999	8.3
290.26813	0.7
295.19153	16.0
296.19611	1.3
313.20224	100.0
314.20566	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	313.2381
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.93418	0.4
58.87110	0.4
59.01237	1.2
69.32182	0.4
69.85908	2.0
71.04893	1.2
84.02035	0.4
97.15998	0.4
98.20451	0.7
99.08020	2.4
125.09587	0.7
127.11173	1.9
139.11165	1.9
141.12747	1.7
149.07384	0.4
155.10728	0.4
169.15913	1.5
171.10223	0.8
173.10698	0.5
198.12015	0.6
199.12434	0.4
201.11227	3.0
212.13676	1.2
213.13968	0.9
235.69121	0.5
249.22166	0.7
285.18533	2.7
293.21243	1.9
295.22629	6.3
311.22256	1.1
313.17862	2.9
313.23792	100.0
314.18668	0.5
314.24167	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	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
54.28999	0.6
57.01726	0.5
57.03328	0.9
58.00459	1.6
59.01241	2.0
71.58990	1.0
72.99197	0.7
89.02312	0.6
97.06447	0.7
99.08031	9.5
121.02853	1.3
125.09664	0.6
127.07567	2.0
127.11165	2.9
129.09100	10.7
139.11165	0.7
158.09174	0.6
158.11906	0.6
165.09151	0.6
167.10672	0.5
167.71861	0.5
169.12216	0.7
171.10159	1.4
172.10487	1.0
173.10732	0.7
182.12578	0.8
183.13823	18.5
184.14194	0.9
185.11751	11.8
186.12207	1.0
195.13779	1.0
195.63182	0.6
198.12146	0.6
199.12471	0.9
201.11250	2.3
205.83397	0.5
211.86328	0.5
212.13689	0.9
213.13943	1.1
215.12836	2.3
235.43283	0.5
255.13914	1.1
273.14880	0.6
277.21692	5.4
293.21371	0.9
295.22470	7.9
296.23126	0.9
313.17902	5.3
313.23758	100.0
314.24155	8.5
339.84058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01238	3.2
67.25596	0.9
69.32275	2.5
69.32691	6.9
71.01245	1.7
89.02302	1.3
105.98173	0.9
138.75909	0.9
139.11185	1.2
150.69658	1.1
151.06000	0.9
184.01491	1.8
185.00595	5.4
238.96959	1.0
250.99411	0.9
251.23769	60.4
252.24095	4.2
269.24957	1.2
283.13437	1.2
286.58420	1.1
295.22766	25.8
296.23157	2.3
298.15833	2.3
313.17307	17.7
313.23837	100.0
314.24127	10.2
330.52982	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	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.14907	0.1
55.33344	0.1
57.03324	0.2
59.01245	0.5
60.54484	0.1
64.92171	0.1
68.99689	0.1
69.03303	0.3
69.59027	0.1
71.01248	2.0
73.02821	0.7
81.03324	0.9
83.01253	0.3
85.02825	2.1
89.02306	0.2
93.02396	0.1
93.03344	0.7
95.01258	1.1
98.19796	0.2
99.00759	0.3
101.02321	1.0
107.01311	0.1
107.04875	0.1
108.02048	100.0
109.02844	34.8
110.03172	0.9
113.02307	1.1
117.05431	0.2
117.11528	0.1
121.02816	1.0
123.00763	1.0
123.04419	1.2
133.02870	0.8
134.03615	0.2
135.00745	0.6
135.04387	1.1
137.02286	0.2
137.06050	0.1
151.03903	1.5
152.01051	65.5
153.01836	34.7
154.02165	0.8
163.03897	1.5
165.01863	1.9
172.64745	0.2
179.03348	0.1
181.05014	0.2
183.04042	0.1
195.02898	0.5
207.02948	0.3
225.03897	0.4
241.65594	0.1
261.50946	0.2
310.28705	0.1
315.07196	67.6
316.07532	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.09153	0.3
51.95063	0.2
55.21103	0.3
59.01252	0.3
64.55270	0.3
71.01250	1.9
71.07095	0.9
73.02821	0.6
81.03330	1.0
83.01260	0.3
85.02833	1.7
86.05394	0.3
93.03335	0.4
95.01240	1.6
99.00801	0.4
101.02328	0.8
108.02049	100.0
109.02850	30.1
110.03162	0.7
113.02308	1.1
121.02835	0.4
123.00793	1.0
123.04415	1.3
133.02834	0.5
134.03731	0.3
135.04427	0.6
151.03902	1.2
152.01059	59.3
153.01846	24.3
153.03644	0.4
154.02194	0.8
163.03914	1.2
165.01852	1.2
181.05109	0.4
225.03955	0.4
315.07199	41.8
316.07446	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	315.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76225	0.4
59.01247	0.6
64.53035	0.5
66.95254	0.4
69.87589	2.8
69.87875	0.8
71.01255	1.7
81.03308	0.5
85.02821	1.2
95.01244	1.0
98.06561	0.5
101.02349	0.7
103.60191	0.5
105.69859	0.5
108.02050	67.3
109.02852	25.7
110.03139	0.8
113.02340	0.8
114.91683	0.5
121.02840	0.6
123.00786	1.0
123.04389	2.3
130.97578	0.7
151.03928	1.5
152.01057	45.9
153.01843	31.9
153.02846	0.4
153.05450	4.2
161.74597	0.6
163.03902	1.1
165.01852	1.8
191.86124	0.5
201.73976	0.5
225.03920	1.1
231.48814	0.6
315.07202	100.0
316.07556	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	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
51.87286	0.7
69.42749	0.6
71.34941	1.6
93.03343	0.9
95.04908	0.7
104.19701	0.7
109.02831	7.2
123.04408	80.5
124.04762	2.2
135.04433	0.7
153.01981	4.2
153.05479	100.0
154.05826	3.4
155.11839	0.6
171.76122	0.8
198.42517	0.6
315.07208	1.8
315.10901	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	315.1447
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
59.01245	6.2
68.99680	2.9
69.03317	1.4
70.82415	0.8
71.01244	3.5
71.59143	1.0
72.99201	1.0
76.47595	0.7
83.04884	0.8
89.02324	2.1
91.03884	3.1
95.04844	0.7
97.06474	0.9
107.04887	0.8
108.02037	1.1
151.11166	5.6
153.05489	0.7
153.09102	1.4
153.12737	1.4
166.09412	0.9
169.12254	90.1
170.12578	3.3
171.10178	2.5
176.60316	0.8
179.10687	3.2
197.11761	100.0
198.12117	3.5
205.08598	0.9
223.09671	2.4
227.07481	0.9
241.08658	1.1
241.10828	11.0
242.11096	0.9
315.14471	70.7
316.14603	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	315.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.4
57.03309	0.8
59.01241	3.2
67.01728	0.3
69.03326	3.8
69.32388	1.3
69.32808	2.1
71.01256	1.3
71.04893	2.7
89.02306	1.1
91.03881	2.4
97.06426	0.4
108.02052	0.5
109.02811	0.4
123.08036	0.9
125.09583	1.9
149.09592	0.4
151.03894	0.4
151.11188	2.0
153.12788	2.4
161.09621	3.6
169.12051	0.3
179.10692	14.2
180.11058	0.8
197.11758	100.0
198.12093	4.6
223.09778	1.6
234.85197	0.3
241.10782	16.4
242.11159	0.7
245.50526	0.3
271.10834	0.9
315.14484	38.7
316.14731	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	315.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81651	0.3
56.88400	0.3
57.03316	0.8
59.01250	2.7
69.03311	2.7
71.01241	1.0
71.04899	2.5
71.39027	0.7
83.04908	0.4
89.02318	0.8
91.03882	1.6
97.06500	0.5
108.02045	0.5
109.02860	0.3
117.02747	0.3
123.08002	0.8
123.75418	0.3
125.09614	1.9
137.09560	0.3
151.11148	1.7
153.12767	2.2
161.09599	2.7
171.10141	0.3
179.09096	0.6
179.10681	12.8
180.11044	0.5
192.37660	0.3
193.81030	0.3
197.11748	100.0
198.12093	4.8
223.09679	2.4
241.10771	15.2
242.11171	0.9
315.14450	37.0
316.14774	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	315.1598
Annotation	CHEBI:68171
Peak:m/z	Relative Intensity
51.68390	0.2
53.61783	0.3
59.01029	0.2
59.01247	2.7
64.99990	0.3
70.97097	0.8
75.00743	0.4
83.04903	0.3
108.02050	1.5
109.02836	0.6
119.27670	0.3
122.21759	0.3
125.09601	0.4
140.97960	0.3
145.08592	0.4
152.00989	0.5
153.01877	0.3
153.05409	0.5
177.45634	0.3
187.09702	0.9
199.07631	0.8
200.08398	1.8
201.09082	1.0
204.04129	0.3
215.07086	1.1
232.97520	1.2
241.12289	0.4
243.13805	1.8
258.12656	0.6
267.10211	0.7
273.14951	0.9
282.12491	1.0
283.13358	2.9
287.20023	0.5
295.09134	0.3
299.12900	4.6
300.13654	8.8
301.13919	0.6
315.15952	100.0
315.19592	35.4
316.16293	8.0
316.19977	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	315.1597
Annotation	Zaluzanin C isobutyrate
Peak:m/z	Relative Intensity
55.98941	1.1
57.03318	9.3
59.01243	8.4
71.04884	2.9
71.58119	1.4
83.04885	3.8
87.04386	39.1
97.06452	7.3
135.11897	1.1
145.50746	1.0
148.97537	1.2
152.00989	1.4
153.05586	1.5
161.09605	3.4
173.09645	5.3
174.10358	3.3
185.09637	3.3
187.07622	1.4
188.08324	2.7
189.09155	1.7
197.09688	1.3
199.11220	21.5
200.11493	1.3
201.12776	15.4
202.09888	2.1
202.13141	1.4
215.10683	1.2
227.10684	2.5
232.97554	2.4
232.99812	1.5
243.17432	3.9
253.15913	1.4
259.17245	1.4
271.17044	27.9
271.20377	2.6
272.17395	3.1
287.16537	61.0
287.20020	5.6
288.16870	3.6
297.18463	4.0
315.15948	32.1
315.19595	100.0
316.16440	2.2
316.19934	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	315.1963
Annotation	Jatrowedione
Peak:m/z	Relative Intensity
59.01247	4.9
67.37370	0.4
68.83703	0.5
69.86791	3.0
75.00772	0.5
92.43959	0.5
117.75248	0.4
128.17989	0.5
152.52817	0.6
153.01845	0.5
157.12325	2.4
158.07253	0.7
171.04318	0.5
173.06027	0.8
188.98480	0.5
191.10710	0.6
191.32491	0.5
196.65456	0.5
199.11038	0.5
205.54042	0.5
206.43347	0.5
217.00244	0.7
232.97514	1.5
232.99741	0.7
241.12335	4.9
242.13074	0.8
257.15448	43.5
258.08820	0.6
258.15674	3.0
274.12161	2.3
297.18515	3.3
299.16476	9.5
315.11438	3.6
315.19604	100.0
316.19949	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	315.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98643	0.4
58.90500	0.4
59.01248	2.6
65.54613	0.4
70.45760	1.3
78.39668	0.4
86.23178	0.4
101.13979	0.3
106.01365	0.3
108.02028	0.5
112.38654	0.4
116.42738	0.3
123.04394	0.6
129.29085	0.3
136.70401	0.3
153.05402	0.6
184.81931	0.4
187.07474	0.4
199.07544	0.9
200.08315	0.9
201.09071	0.5
215.07146	0.7
226.23389	0.4
232.97440	1.2
239.10542	0.4
243.13756	1.4
267.10242	0.7
282.12589	0.5
283.13309	2.1
285.11319	0.4
285.18692	0.5
287.20154	0.4
297.18677	0.6
299.12869	2.8
300.13626	6.0
315.15930	56.6
315.19592	100.0
316.16251	5.3
316.19937	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	315.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06187	0.2
59.01232	0.7
70.03965	0.8
70.04385	0.3
75.00735	0.2
83.04899	0.2
96.95877	0.2
98.19910	0.2
108.02039	0.3
152.01099	0.2
153.01889	0.3
153.05475	0.2
171.10081	0.3
197.11794	0.3
214.09949	0.5
215.10710	4.5
217.00192	0.2
227.10722	0.2
232.97375	0.4
243.10229	5.4
244.10510	0.2
257.12006	0.3
283.16968	0.6
285.14941	0.4
297.18402	0.4
299.16510	0.8
315.19598	100.0
316.19940	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	315.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19060	0.1
58.00476	0.8
59.01231	0.3
64.21425	0.1
69.85596	0.7
71.01241	0.6
79.01933	0.1
82.65469	0.1
83.04897	0.2
90.03535	0.1
91.17094	0.1
93.03309	0.4
97.06458	0.6
98.19707	0.1
101.27522	0.1
108.02048	0.1
114.25624	0.1
119.08504	0.2
121.06484	0.5
183.08061	0.1
185.09698	0.3
197.09657	0.4
199.11194	3.9
200.11563	0.2
209.09608	0.2
211.11255	0.2
213.09097	0.4
227.10712	1.2
228.11121	0.2
229.08452	0.2
232.97374	0.2
239.10678	0.3
241.12254	0.2
241.15933	2.1
242.16231	0.2
247.20560	0.3
265.15875	0.3
267.13837	0.6
267.17947	0.1
271.20657	0.3
272.13806	0.2
279.17557	0.3
281.15439	0.3
282.16284	0.2
283.17032	1.1
284.17465	0.1
295.16873	0.2
297.14944	0.4
297.18484	2.5
298.15790	0.7
298.18665	0.2
299.16464	0.3
313.18008	1.3
314.18341	0.2
315.19595	100.0
316.19934	8.3
316.23828	0.3
330.14783	0.2
332.40561	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	315.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.7
62.07485	0.2
69.77911	1.3
83.10651	0.2
95.20784	0.2
97.82096	0.2
98.20582	0.3
109.02760	0.2
124.72659	0.2
131.81584	0.2
161.09538	0.2
173.30658	0.2
185.09648	0.3
198.10422	1.1
199.11218	2.3
201.12680	0.2
211.11031	0.2
213.09169	0.3
232.97510	0.4
239.10724	0.7
241.15915	1.4
243.17509	0.6
265.12192	0.5
266.13205	0.5
275.26489	0.2
281.15405	1.3
283.17053	0.7
287.20132	1.6
297.18588	0.5
299.16522	1.7
315.19604	100.0
316.19949	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	315.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64075	0.3
59.01087	0.5
59.01361	0.6
71.01363	0.3
71.59473	0.3
93.36203	0.2
117.41266	0.3
126.93021	0.2
141.62407	0.2
147.71814	0.2
155.26085	0.3
162.12930	0.3
164.52548	0.3
197.11833	0.3
198.10603	0.9
199.11256	1.4
201.09305	0.6
201.11232	0.3
203.10808	0.3
213.09286	1.0
214.10088	1.0
227.10695	2.9
228.11571	0.3
230.11591	0.5
232.97804	0.3
246.08922	0.3
247.89040	0.3
271.14325	0.3
281.15424	1.4
283.17032	5.2
284.17502	0.4
285.15067	0.5
297.18588	36.7
298.18936	3.2
299.16553	0.6
314.15057	0.3
315.16281	4.6
315.19589	100.0
316.15564	1.3
316.19916	7.8
328.37540	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	315.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68673	0.4
59.01247	3.3
61.44434	0.4
108.02065	0.5
125.09678	0.8
133.53139	0.4
153.05490	0.7
171.10219	0.6
174.59869	0.5
199.07555	0.7
199.63141	0.5
232.97614	1.5
255.13829	1.1
269.15427	5.0
270.15955	0.7
281.15543	1.0
285.18573	85.0
286.18924	5.5
297.18567	30.7
298.18918	2.7
302.15225	2.0
313.18146	0.6
315.19592	100.0
316.19937	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	315.196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73460	0.4
58.37526	0.3
69.54589	2.3
71.01255	0.6
98.20487	0.6
108.31632	0.2
137.09724	0.3
162.85918	0.3
174.60120	0.3
185.09628	0.3
186.91481	0.3
199.11177	0.4
200.11848	0.4
201.12798	0.4
243.17525	0.9
265.71115	0.3
282.16266	0.5
285.15036	2.7
285.18353	0.5
299.16495	3.9
300.17249	3.8
315.19614	100.0
316.19971	8.1
332.16354	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	315.1962
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
54.94939	0.1
59.01243	0.6
70.82855	0.3
70.83198	0.2
71.01247	2.5
87.48658	0.1
95.88481	0.1
185.09604	0.2
199.11235	0.5
200.12007	0.4
201.12708	1.0
204.07832	0.2
215.14230	0.2
227.14384	0.2
232.97476	0.3
241.15845	0.8
243.17509	4.2
244.17792	0.2
267.13828	0.5
269.15411	0.6
269.19019	0.4
271.13165	0.2
271.16916	0.2
282.16272	0.3
285.14981	0.7
285.18582	3.1
286.19009	0.2
297.18640	0.2
299.16486	4.4
300.16956	0.7
303.95352	0.2
315.19611	100.0
316.19955	8.4
332.16147	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	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69275	1.1
59.01245	3.5
66.95615	1.1
67.51079	1.1
69.03330	1.2
71.01246	5.2
71.04879	4.1
71.59260	2.2
89.02355	1.3
89.12973	1.1
91.03892	3.3
97.02843	3.4
97.06445	2.4
99.00752	22.2
110.03619	1.2
120.99529	3.5
125.09590	7.4
127.11186	4.0
153.12889	1.3
155.10684	4.9
163.11154	8.9
181.12262	19.9
182.12666	1.2
194.14651	1.1
197.11748	3.7
199.13319	96.7
200.13683	4.6
207.10187	30.7
208.10480	1.5
225.11264	98.3
226.11636	4.8
243.12334	36.6
244.12671	3.3
299.14929	1.7
317.16031	100.0
318.16397	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	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54587	0.9
55.01749	1.1
57.03319	2.1
59.01255	7.4
59.34387	0.8
71.01247	4.5
71.04887	6.5
72.78460	0.8
83.04879	1.8
85.02824	1.1
89.02312	2.0
91.03875	1.8
97.02814	5.6
97.06462	3.7
99.00748	29.5
101.02353	1.8
104.48373	0.9
107.39110	1.0
108.04440	1.1
109.06477	1.7
110.03592	1.8
113.02380	1.1
122.06007	1.2
123.07999	1.7
125.09597	11.7
127.11153	2.5
142.02596	1.7
148.20987	0.9
152.07047	1.1
153.12770	1.4
155.14282	1.5
163.11188	16.1
171.10124	1.4
181.12247	50.1
182.12558	1.7
187.07819	1.0
197.11877	1.3
199.13324	35.1
207.10194	44.9
208.10559	2.8
225.11259	92.3
226.07288	1.2
226.11568	3.9
239.08261	1.4
240.08975	2.0
243.12329	100.0
244.12608	4.8
255.11409	9.6
269.81161	0.9
273.12445	20.4
274.12708	1.3
301.43188	0.9
317.10486	4.0
317.16037	79.0
318.16422	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	317.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
57.03310	1.6
59.01244	8.4
70.27230	3.3
71.01263	3.6
71.04884	3.8
83.04913	1.1
89.02325	2.5
91.03868	4.1
91.70394	0.7
97.02827	3.5
97.06459	2.6
99.00754	19.5
109.06485	2.1
110.03640	0.9
125.09610	9.3
127.11182	4.7
142.02661	1.4
153.12758	1.6
155.14317	1.6
163.11194	9.8
181.12265	21.7
182.12511	1.4
183.18228	0.8
183.60068	0.9
197.11801	2.2
199.13324	100.0
200.13655	5.7
207.10187	32.5
208.10576	2.2
222.90477	0.9
225.11269	91.0
226.11575	4.6
243.12332	39.6
244.12756	2.4
299.14966	3.1
299.18314	0.8
317.16043	95.5
318.16449	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	317.1754
Annotation	Subcordatolide E
Peak:m/z	Relative Intensity
51.84332	1.2
54.39539	1.0
59.76486	1.1
69.78003	7.4
71.04884	5.8
80.11928	1.1
83.15878	1.1
87.04384	30.0
87.04886	2.2
94.18175	1.2
97.06462	18.6
102.13490	1.1
118.87557	1.0
133.29517	1.2
163.11188	4.7
163.86023	1.2
175.07613	2.7
175.11194	7.6
177.12680	1.3
187.11232	3.4
189.09129	1.9
190.09915	8.9
191.10683	4.5
199.11241	2.4
201.11153	1.3
201.12785	19.6
202.09900	2.3
202.13176	1.4
204.11508	7.3
205.12193	1.5
214.04747	1.2
217.12209	3.9
229.12317	3.3
229.15897	1.4
245.18983	1.6
255.17564	1.3
273.15561	2.8
273.18588	70.6
274.18927	6.0
289.18076	100.0
290.18338	4.7
296.31470	1.3
299.20062	2.5
317.17545	96.4
317.21210	38.3
318.17877	7.9
318.21448	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	317.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	0.5
59.01233	0.5
70.55265	0.2
70.55624	0.4
71.01253	0.3
75.91954	0.1
80.72646	0.1
86.60847	0.1
88.60303	0.1
97.06457	0.3
159.08029	0.2
159.88441	0.2
187.07588	0.2
199.07584	0.5
200.08365	0.3
201.09157	4.0
202.09480	0.2
215.06999	0.4
229.08623	3.1
241.12201	0.2
243.13962	0.8
257.15408	0.4
259.16736	0.1
267.13818	0.4
275.16507	1.5
281.15314	0.9
283.13489	0.2
285.14847	1.5
286.15396	0.2
299.16443	1.0
299.19388	0.4
300.13708	1.3
301.14395	0.5
317.17532	100.0
318.17880	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	317.2118
Annotation	9-Deoxyxenialactol C
Peak:m/z	Relative Intensity
52.89679	0.3
55.71004	0.3
57.21170	0.3
59.01251	0.5
67.14958	0.4
69.81928	0.3
71.58720	0.5
71.59164	0.4
73.02818	2.5
91.51674	0.4
199.11273	0.7
220.03160	0.4
221.03793	0.3
225.16376	0.7
227.68161	0.4
236.25778	0.3
236.75517	0.3
241.15996	0.4
243.17502	31.5
244.17870	2.8
255.17575	0.8
269.19067	0.6
271.20648	56.5
272.20941	4.1
285.18497	1.6
287.20084	0.4
288.17322	0.4
296.48416	0.4
299.20090	5.6
300.20682	0.4
301.17996	1.8
315.19589	0.9
317.21173	100.0
318.21524	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2116
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
58.00463	1.1
69.74711	0.8
71.01248	0.7
97.06461	0.6
107.73081	0.1
110.64516	0.1
118.21361	0.1
125.06834	0.1
138.88074	0.1
187.11159	0.4
200.11899	0.2
201.11095	0.2
201.12781	1.9
215.10616	0.2
219.09949	0.1
220.09026	0.1
229.12224	0.5
241.12268	0.2
241.15968	0.2
243.17514	1.0
244.17917	0.1
246.00644	0.1
267.17560	0.2
269.15424	0.6
269.18723	0.2
283.17172	0.2
284.17685	0.2
285.18558	1.0
286.19247	0.2
297.18576	0.3
299.16489	0.8
299.20105	2.6
300.20425	0.3
301.18048	0.2
315.19672	2.0
317.21164	100.0
318.21524	10.3
332.30112	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	319.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	62.2
69.03317	47.2
71.01242	46.4
71.57815	20.5
73.54497	23.7
74.98932	23.1
89.02316	33.5
99.00801	21.0
101.02308	42.3
113.00534	27.1
113.05927	26.1
118.93098	23.0
120.99551	25.9
133.04987	28.8
258.97827	24.6
283.10272	81.5
299.78223	23.0
319.07889	100.0
320.13547	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	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01754	6.8
57.03334	4.6
58.00465	4.8
59.01248	100.0
64.02991	2.2
69.03329	2.4
71.01251	96.7
71.58145	3.6
72.99179	8.2
73.02815	26.4
76.54463	2.2
76.96431	2.4
80.85404	2.9
81.03342	4.6
82.02871	3.8
83.01261	14.1
83.04900	6.8
85.02812	31.6
85.13572	2.2
87.00752	6.6
89.02313	67.0
93.03341	17.4
95.01264	7.4
95.04910	3.6
96.91260	2.4
96.95868	4.7
98.02299	4.2
99.00758	6.9
101.02316	85.0
111.04395	20.6
113.02327	41.2
116.04913	2.5
118.06517	21.1
119.03390	31.9
119.04887	2.6
121.02814	4.2
136.03877	4.9
138.05522	3.1
139.07463	5.3
143.03412	4.4
143.07011	5.5
147.04417	3.4
155.10693	9.9
155.14256	2.1
157.08606	15.9
161.04475	19.4
164.07114	12.2
176.57156	2.2
179.05563	2.4
195.08159	3.8
196.06213	2.9
213.09151	2.6
217.10809	8.2
222.09230	11.9
237.11819	2.5
240.10213	5.6
275.15045	10.3
277.28445	2.5
317.09433	2.3
319.13980	92.8
320.11307	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	319.2275
Annotation	19S-HETE
Peak:m/z	Relative Intensity
51.81995	0.7
59.01230	1.8
61.91486	0.8
69.79426	4.5
97.06459	2.2
99.04384	1.7
124.19346	0.7
129.88509	0.7
137.09544	1.0
189.12741	2.9
200.17352	0.7
203.14323	0.9
217.15913	12.7
218.16173	0.9
219.17436	1.6
259.13687	0.8
273.22223	0.9
301.14532	1.5
319.19412	3.8
319.22733	100.0
320.23126	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	319.2274
Annotation	16R-HETE
Peak:m/z	Relative Intensity
53.97104	0.3
54.94556	0.3
57.03303	0.4
59.01238	0.8
67.01752	0.5
69.03323	4.2
69.88835	1.9
71.01225	0.3
71.04890	9.7
81.03316	0.5
83.04880	0.3
87.04372	0.3
89.74818	0.3
93.03287	0.4
95.04916	0.7
97.06464	5.5
101.52899	0.3
107.04906	0.9
109.06468	0.4
119.08526	0.5
120.46721	0.3
121.06497	1.7
122.03728	0.4
123.08084	0.4
125.09592	1.3
131.09729	0.3
133.06480	0.8
133.10141	3.0
135.08061	1.4
137.06020	0.3
137.09607	3.7
147.08058	1.6
149.09621	10.9
151.11185	24.8
152.11453	1.1
161.09573	0.4
163.11180	4.2
164.11548	0.3
167.10706	2.0
177.12764	0.6
195.10233	0.7
214.47835	0.3
215.14331	0.4
217.15869	0.5
229.15919	1.1
233.15536	0.9
245.19147	1.6
265.15982	0.9
283.20728	1.5
291.18750	1.0
299.20297	0.6
301.14505	0.6
301.21646	5.3
319.22748	100.0
320.23093	9.1
331.10370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.5
59.01250	100.0
62.78407	0.8
68.73351	0.9
71.01251	8.2
71.59042	1.4
75.30752	1.0
85.02817	1.6
89.02312	7.8
99.04404	0.9
101.02316	5.2
108.58613	0.9
111.46800	0.9
113.02333	3.1
119.03388	3.4
124.03941	1.4
124.88555	0.8
129.01770	1.0
129.68893	0.8
136.07591	10.2
138.05499	4.0
138.09134	1.4
143.03395	1.0
161.04492	1.0
184.06035	2.6
259.14429	2.2
321.15738	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
56.71206	0.6
57.03308	0.7
58.00471	1.7
59.01250	45.3
71.01249	22.8
72.99186	1.5
73.02827	1.9
83.01268	2.0
85.02827	5.6
87.00764	2.0
89.02319	17.7
93.03336	0.6
95.01269	2.4
99.00752	1.6
101.02322	15.9
103.83854	0.5
104.80403	0.5
113.02334	9.1
113.09608	28.2
119.03397	7.5
123.37228	0.5
131.03430	0.8
141.09109	5.1
143.10681	2.3
155.10722	2.8
159.10176	75.4
160.10532	1.9
179.05510	0.9
201.11287	2.5
299.40613	0.6
321.15533	100.0
322.15833	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73899	1.1
57.03318	1.2
58.00466	2.3
59.01251	84.4
69.92795	6.0
71.01251	47.2
71.04882	1.4
72.99178	3.4
73.02811	2.2
83.01244	3.8
83.53090	1.1
85.02834	9.3
85.31612	1.1
89.02310	43.6
95.01275	4.0
101.01688	2.4
101.02319	33.0
113.02328	18.3
119.03392	20.3
131.03293	1.3
141.09113	15.1
143.03391	2.7
148.63831	1.4
149.04466	1.9
159.10217	5.6
174.50340	1.1
179.05585	1.3
321.15543	100.0
322.15967	5.8
339.27527	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	321.1705
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
55.01756	1.2
57.03318	2.2
57.22361	0.5
59.01249	4.1
60.62670	0.5
65.03812	0.6
69.03339	1.5
69.37702	2.8
69.38127	2.7
71.01251	1.3
71.04889	5.7
73.02811	1.8
80.02568	0.7
81.03327	6.4
83.04899	2.3
86.28516	0.6
93.03358	1.7
95.04895	5.3
96.95901	1.0
97.06461	15.0
107.04902	1.9
109.02874	0.6
109.06467	8.7
110.03639	0.7
111.04404	3.4
119.04926	1.0
121.02822	1.3
121.06456	4.9
122.03639	2.0
123.04436	1.4
123.08051	22.8
124.08349	1.5
125.05990	1.1
125.09608	12.1
126.09970	0.8
133.06497	1.7
135.04430	1.7
135.07986	1.1
136.05228	0.9
137.05988	8.5
137.09570	0.7
139.11189	3.0
141.09087	1.6
149.05943	1.3
149.09669	1.1
151.07521	4.5
151.11212	2.2
153.09119	0.8
155.10657	0.7
159.08147	0.9
160.05222	2.5
161.09610	1.8
167.10733	1.1
171.10184	0.9
174.06790	1.2
175.11220	1.4
177.09065	0.7
178.06316	0.8
179.10698	2.3
183.10197	1.4
187.09650	1.7
187.11244	1.6
191.10693	1.1
193.08484	0.7
195.10197	0.9
201.11133	1.6
203.14351	3.7
205.12225	2.2
213.11266	4.6
221.11769	0.7
221.15450	1.6
223.09734	6.3
231.10179	1.2
237.11287	3.4
247.13364	4.1
249.11269	2.3
259.17041	2.4
261.15005	0.7
265.14438	11.4
266.14783	0.8
275.16455	1.5
277.18127	1.3
285.14929	6.6
293.17557	1.4
303.12781	1.1
303.16031	17.5
304.16345	1.0
321.17047	100.0
322.17407	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	321.1705
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
57.03310	1.4
59.01247	2.1
70.93908	0.8
71.01254	0.5
71.04887	2.4
73.02804	0.8
80.02530	1.2
81.02830	0.6
81.03317	10.5
83.04893	1.1
85.02824	0.6
86.74863	0.4
93.06953	0.6
95.04895	2.1
96.95875	1.1
97.06460	0.9
102.65179	0.4
107.04887	1.4
108.02052	1.6
109.06464	31.7
110.06783	1.0
110.24146	0.5
111.08049	0.8
112.02826	0.5
119.04893	1.0
121.02850	1.7
121.06494	0.6
122.03622	3.2
123.04346	1.0
123.08021	1.7
125.09593	1.7
135.04407	3.8
136.01570	0.9
136.05194	3.3
137.05980	14.9
137.09590	0.9
139.11192	8.0
140.11493	0.8
149.02417	0.5
149.05931	1.5
149.09598	1.2
150.03142	0.7
151.07530	1.3
160.05139	0.6
163.07497	0.6
164.04652	1.0
166.06245	0.5
167.10623	1.1
177.05450	0.8
178.06172	0.7
181.12227	0.6
181.85533	0.5
183.10179	3.0
187.09674	0.7
191.10605	1.2
193.08644	0.5
193.15945	0.6
201.11226	2.6
203.14343	1.9
205.12198	1.6
211.09560	0.6
219.13841	0.9
221.15413	1.8
223.13335	0.9
227.12839	2.8
231.10156	1.5
233.11775	1.0
237.11227	0.7
237.14946	1.3
247.13339	6.9
249.11307	1.3
251.12910	1.2
251.16501	1.1
259.16959	1.0
265.14398	28.8
266.14774	2.3
275.16531	1.3
277.18176	2.2
285.14911	3.3
303.15985	33.4
304.16272	2.7
321.17023	100.0
322.17365	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	321.1705
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
57.03316	6.3
59.01236	2.6
69.03315	3.1
70.74947	2.1
70.75319	2.5
71.04887	13.7
73.02802	2.9
74.12548	1.1
80.02547	3.6
81.03334	10.0
83.04883	4.8
83.87379	1.1
85.94112	1.2
93.03336	11.0
95.04899	65.0
96.05260	2.0
97.06461	10.1
107.04897	15.8
108.02060	1.8
109.02814	2.3
109.06472	22.4
111.04400	12.8
111.08030	1.2
121.02843	10.5
121.06481	4.3
122.03627	4.0
123.04382	3.3
123.08051	8.7
125.09605	62.8
133.06516	1.9
135.04428	11.0
136.05191	4.0
137.05995	6.5
139.07588	1.3
139.11205	3.0
147.30194	1.3
149.05997	14.0
151.07549	100.0
152.07895	3.4
160.05135	1.5
161.09593	2.3
166.38214	1.2
167.07037	11.7
167.10681	3.7
169.08720	1.8
170.05385	1.2
171.10205	21.1
178.06302	6.1
179.14229	1.4
183.10277	1.7
185.11760	22.6
191.10783	1.6
200.09544	1.3
203.14354	1.3
205.12279	5.2
211.13324	1.4
219.13715	2.0
221.11565	1.6
223.13202	7.2
224.14049	1.3
237.11334	3.9
237.14966	2.6
247.13393	6.4
249.11299	3.2
259.16965	3.1
265.14420	35.0
266.14609	2.3
275.16644	2.2
277.18164	3.0
279.16025	3.6
285.14969	1.9
293.17694	2.0
303.16006	19.8
304.16428	1.4
321.17041	58.4
322.17462	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	321.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05217	1.7
57.03315	5.5
59.01251	9.9
67.37231	1.8
71.04890	100.0
71.59106	3.1
73.02826	4.3
81.03340	5.9
83.04882	2.6
89.02325	2.3
93.07014	2.4
95.04890	2.2
96.95898	5.0
97.06438	2.7
109.06467	5.2
120.45793	1.8
121.02908	1.7
121.06478	2.6
123.08065	2.7
125.09638	1.8
130.50087	1.7
133.98906	1.8
135.04449	2.0
137.05972	5.9
138.39857	1.7
149.05869	1.9
151.11160	14.3
191.14406	3.5
193.12262	3.9
205.12384	2.1
225.14853	4.9
233.15430	11.1
235.13443	3.3
237.14914	2.8
249.14903	10.9
265.14377	2.8
265.18091	9.2
277.18027	3.1
289.18085	8.3
298.75061	1.8
303.16025	6.4
303.19415	2.2
306.18408	13.1
321.17004	17.8
321.20715	72.1
321.24469	3.7
322.21085	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	321.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.5
69.47325	6.0
69.51694	0.6
71.01263	0.9
80.02570	0.7
81.03332	1.0
83.04911	1.4
83.39053	0.7
88.15150	0.7
93.03368	1.0
95.04939	0.8
96.95893	0.9
97.02876	0.9
97.06500	1.4
104.94666	0.7
108.84982	0.7
109.06537	2.7
111.04430	1.4
120.63010	0.6
123.04565	0.8
123.08108	1.0
137.05966	1.5
139.11188	1.4
145.06534	0.8
146.07315	2.2
148.08864	2.8
149.02565	0.6
149.09659	2.2
151.11176	3.7
153.12776	1.9
163.07632	0.9
163.11189	1.9
165.12729	5.2
174.10454	1.3
175.11157	1.4
177.09148	1.1
177.12791	2.3
189.12839	0.7
191.10687	12.2
191.14320	4.7
193.12314	1.3
198.14699	0.7
203.14308	1.6
207.01717	0.7
209.11668	1.1
216.15170	1.5
217.15904	3.1
219.10324	0.7
227.18069	1.7
229.12285	0.7
229.15921	1.3
237.11282	4.5
245.11949	0.9
245.19043	33.4
246.19400	1.6
247.14450	0.6
247.16965	3.6
261.18600	4.1
265.14743	0.8
271.17014	3.3
274.47397	0.7
277.14502	0.9
289.18066	100.0
290.18411	7.7
303.15973	1.8
306.18381	1.2
321.17197	4.6
321.20645	71.1
322.21027	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	322.093
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
58.00454	0.5
59.01248	6.7
60.45350	0.2
63.01250	0.2
71.01251	2.7
72.99185	0.6
73.02814	0.3
79.21891	0.1
83.01208	0.2
85.02818	0.2
87.00771	0.2
89.02309	1.8
90.38687	0.2
99.00732	0.2
101.02322	3.1
101.02982	0.2
108.44875	0.2
116.04943	76.4
117.05271	2.4
119.03362	2.2
127.90352	0.2
128.04936	1.4
130.06516	3.8
131.06895	0.3
142.06491	0.3
146.04446	0.2
146.05942	0.3
158.06017	1.8
160.03941	100.0
161.04308	3.6
166.04677	0.2
170.05948	0.2
172.03938	0.6
186.05548	0.2
188.07106	0.3
202.05046	0.3
229.21095	0.2
232.06110	1.1
322.09357	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	322.2022
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03333	0.2
58.02852	2.3
59.01238	1.3
68.64101	0.2
69.98562	0.9
71.01241	0.2
73.02859	0.2
79.02412	0.2
80.02530	0.2
81.03326	0.7
83.04881	0.2
88.75017	0.1
95.04883	0.9
97.06474	0.7
109.06490	1.0
111.49783	0.1
121.06496	0.4
123.08070	0.2
125.09589	0.5
127.11182	0.4
128.10698	7.5
129.11061	0.3
130.08626	100.0
131.08990	2.2
139.11122	0.2
151.07576	0.3
153.09116	0.2
154.11891	0.2
155.10753	0.2
165.12712	1.1
167.31616	0.2
171.10133	0.6
172.09683	0.3
199.09723	0.2
201.11243	3.1
209.11885	0.2
261.65948	0.2
265.14380	0.3
266.14737	0.2
287.16608	0.3
304.16327	0.2
305.17578	0.9
322.20218	29.1
323.18484	1.3
323.20767	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	323.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54383	0.7
51.01122	0.6
59.01251	8.5
65.41465	0.7
70.50270	2.7
71.01242	3.3
71.52171	0.7
74.98987	0.8
83.04897	1.1
84.00768	3.5
85.02824	1.3
87.00753	1.3
89.02309	2.0
96.08547	0.6
101.02332	2.6
113.02320	0.9
118.02868	18.8
119.03291	0.9
131.06036	2.0
133.02863	0.9
134.49936	0.7
145.03969	3.0
151.03940	0.9
159.05569	1.4
160.03894	1.5
161.02332	2.7
161.03465	22.4
162.03743	1.0
175.05037	71.0
176.05327	2.1
177.06567	1.5
179.05577	0.7
203.04549	100.0
204.04939	4.4
316.50641	0.7
323.08810	69.9
323.12653	2.2
324.09140	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	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
64.68842	0.5
70.33212	1.0
70.33617	0.9
71.01244	4.4
73.02821	1.1
85.02837	1.9
89.02333	1.8
99.00752	0.6
101.02314	3.2
101.05981	1.7
113.02332	2.5
119.03403	1.0
161.04475	5.4
185.38860	0.5
263.11282	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	4.1
55.56761	1.0
56.28577	1.0
57.03319	3.2
58.00467	3.6
59.01251	91.1
61.79243	1.2
69.74911	7.8
71.01253	100.0
72.01608	1.4
72.99175	5.6
73.02827	11.2
83.01267	7.3
85.02818	28.1
85.99980	3.0
87.00756	10.1
87.04405	1.7
89.02317	46.9
89.66524	1.3
95.01267	5.3
99.00768	4.2
99.04404	1.3
101.02323	56.7
101.06001	1.4
103.03888	1.2
113.02328	30.1
119.03394	23.6
125.02312	1.3
125.39228	1.2
129.05476	2.6
131.03415	2.8
143.03395	3.9
147.06532	28.7
149.04526	1.2
159.02937	3.0
161.02409	1.4
161.04462	28.1
173.08134	10.1
179.05524	4.7
198.11096	1.1
263.11304	12.1
264.11899	1.1
291.10934	2.1
323.13489	79.8
324.13800	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07622	1.6
57.03308	4.3
59.01248	100.0
69.69016	1.7
71.01260	13.0
71.57520	2.4
71.57903	2.0
73.02807	2.0
76.15019	1.9
78.95776	18.2
85.02822	5.4
87.00765	3.2
89.02325	11.4
96.95895	1.7
96.96828	5.0
99.00726	2.0
99.04380	3.1
101.02325	9.3
108.02056	2.0
111.00731	1.6
111.01913	3.4
113.02311	7.1
119.03367	5.5
133.02837	1.9
143.03383	3.8
143.07004	2.2
152.01013	3.8
161.02309	2.3
161.04451	5.3
167.03406	4.4
211.00067	13.1
212.00598	1.9
249.35905	1.8
263.11279	2.4
265.09387	2.8
323.09464	6.6
323.13428	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	323.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83848	0.6
59.01249	100.0
61.18353	0.6
69.51209	4.9
71.01256	3.1
71.36472	0.6
73.02821	1.8
85.02806	1.1
93.06996	1.3
96.91277	0.6
96.95860	1.1
97.06468	0.9
98.19824	1.6
101.02338	2.9
106.33642	0.6
113.02321	1.1
133.06473	0.9
134.03648	1.5
135.04424	1.4
137.02354	1.5
146.26982	0.6
151.03905	1.0
151.07593	0.9
160.74553	0.7
161.04501	0.8
177.01907	1.8
191.05534	2.0
193.05002	1.3
202.54614	0.8
235.13435	0.7
263.15002	3.1
303.12653	0.7
323.11646	1.2
323.15167	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
57.03310	11.0
58.00465	5.5
59.01250	78.8
68.14492	2.7
69.03312	2.6
69.72246	2.2
70.14154	8.2
71.01252	11.4
73.02805	3.4
80.02559	2.4
81.03350	3.3
83.04906	6.5
84.02045	2.2
85.02824	5.1
89.02324	2.7
93.03347	5.9
95.04892	14.7
96.95892	3.7
97.06464	13.2
98.19828	3.7
101.02326	6.0
106.04109	10.7
106.23785	2.7
107.04900	15.6
109.06463	8.7
110.44889	2.4
111.08022	17.4
113.02301	2.3
113.09599	2.6
115.07500	3.8
121.02851	4.3
121.06476	40.1
123.08045	3.3
125.05993	11.0
125.09600	9.7
127.07542	6.1
129.09076	6.3
129.47484	2.3
135.08035	10.5
137.02335	2.8
137.09613	20.2
139.07553	48.7
139.11174	86.4
140.11487	2.7
141.12775	3.2
144.16998	2.6
149.09631	4.3
151.03934	8.6
152.04626	3.0
153.09123	6.6
153.12737	7.4
161.04471	3.7
163.11177	2.5
166.06229	7.9
167.10706	4.5
169.12267	13.2
171.10162	6.4
179.10625	2.5
181.12292	3.4
183.10146	25.2
183.92224	2.3
185.11786	7.1
193.08635	4.7
195.10323	3.3
197.11844	12.9
199.09578	3.1
199.13261	2.7
201.11256	93.5
202.11667	3.6
207.10245	9.5
211.09723	5.0
213.11264	10.5
215.12820	69.2
216.13199	3.8
221.11662	2.5
225.11278	19.2
225.14810	3.2
243.17467	3.6
261.18561	9.5
261.22296	2.9
263.16635	2.2
264.59674	2.3
267.19553	5.8
277.18063	3.4
279.16519	5.0
279.19632	100.0
280.20087	3.7
287.16611	7.9
295.19272	3.5
305.17578	28.0
305.21240	19.6
323.18674	83.6
323.22214	7.2
324.18936	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90015	1.1
55.01743	1.1
57.03315	3.7
59.01241	11.3
69.03329	1.8
71.01266	1.5
71.04895	13.5
71.07813	1.8
72.98170	1.1
73.02791	1.6
81.03330	3.7
83.04892	4.9
93.03315	2.1
95.04910	4.6
97.06469	2.0
106.04098	2.0
108.02050	25.9
109.02876	1.4
109.06468	2.2
110.03640	2.3
111.04391	3.2
121.02811	3.5
121.06461	13.1
122.03603	2.1
123.04415	12.2
123.08052	3.3
125.09622	2.3
129.65915	1.3
135.08037	2.7
139.07590	2.2
139.11215	6.7
147.04384	1.6
149.09624	1.4
151.07616	1.4
162.06796	1.4
164.08250	1.4
171.10217	3.0
189.12764	4.9
197.11711	1.8
199.13322	100.0
200.13626	4.5
200.83890	1.2
203.14409	1.3
207.13817	2.5
209.11754	3.9
211.13300	2.0
215.10690	1.6
221.11787	3.2
233.11778	25.4
234.12181	1.8
243.17578	1.6
247.13419	2.0
249.14992	2.3
251.12857	50.6
252.13089	2.9
261.18677	1.5
265.14413	4.5
269.15399	1.5
279.19455	2.1
287.16556	15.6
305.17599	44.4
306.18152	2.5
323.18604	22.1
324.18951	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	323.1861
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
57.03307	9.6
59.01247	82.0
65.03870	2.6
69.03301	2.9
70.34053	10.1
71.01240	8.3
73.02805	3.3
83.04881	6.2
85.02815	7.0
89.02319	3.4
93.03331	5.4
94.03443	2.4
95.04869	11.2
96.95880	5.5
97.06447	5.9
101.02335	4.1
106.04107	9.8
107.04928	14.8
108.34615	2.7
109.06478	8.4
110.03663	4.0
111.08054	15.6
113.02332	3.9
115.07531	7.3
121.02802	4.7
121.06477	33.7
123.08017	4.1
125.05959	7.5
125.09599	11.3
127.07542	4.4
129.09106	11.0
135.04436	3.0
135.08029	9.7
137.06029	2.5
137.09619	16.2
139.06540	4.4
139.07539	43.1
139.10109	5.4
139.11179	83.5
149.09567	5.8
151.03873	6.6
151.11156	4.1
153.09123	5.7
153.12756	6.6
161.04459	4.6
163.11214	4.6
166.06262	9.4
167.10660	4.2
169.12254	10.8
179.10715	3.5
183.10156	23.8
185.11734	6.3
190.02101	2.4
193.08585	3.3
197.11761	14.3
197.13316	2.4
201.11243	89.1
202.11658	3.0
207.10153	7.0
211.09752	4.9
213.11238	9.6
215.10887	5.5
215.12834	70.5
216.13329	4.0
225.11275	19.4
229.14357	4.2
235.20596	4.1
245.26436	2.4
261.18576	14.4
267.19739	4.0
279.19620	100.0
280.20038	6.5
287.16458	7.0
295.19360	3.2
305.17560	29.4
305.21188	11.6
323.18625	90.4
323.22116	5.5
324.18927	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	8.2
59.01250	7.9
64.93552	1.9
66.62090	1.8
69.03323	2.7
69.47693	2.1
69.48016	16.7
71.04889	100.0
72.05232	2.4
77.94157	1.9
80.02534	1.9
81.03334	6.8
83.04903	5.9
84.02021	2.6
93.03305	2.3
95.04901	24.1
97.06467	3.2
106.04104	2.3
108.02106	2.0
109.02830	10.6
109.06474	11.6
110.03620	6.0
111.04369	9.5
111.08038	3.0
121.06480	6.8
122.03609	2.7
123.04423	2.5
123.08053	3.9
125.09621	5.6
127.07582	2.5
127.11208	2.0
132.05673	1.9
132.33405	1.7
133.06494	11.4
135.08121	4.5
136.05200	3.0
137.06035	3.0
147.08076	2.3
149.09636	2.4
151.07542	27.7
153.09163	2.3
165.09108	6.9
165.12799	2.7
171.10188	36.5
185.11752	4.3
189.12769	12.2
195.13855	2.5
199.13332	5.2
201.11223	4.6
201.42801	1.9
205.15910	5.4
209.11818	1.9
211.13290	3.9
221.11725	2.8
233.11743	6.3
243.17534	15.5
249.14917	8.7
251.12843	2.6
261.18430	2.7
263.16495	2.6
265.14420	2.0
269.15359	3.1
279.19641	2.7
287.16528	49.8
288.16904	2.4
305.17517	23.7
306.17981	3.5
323.18622	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29606	1.3
56.56517	1.3
57.03313	5.2
59.01241	6.1
63.62696	1.4
69.03326	2.1
71.04889	24.3
71.22216	2.5
73.02809	2.9
81.03329	2.6
83.04893	4.2
83.74636	1.5
93.03337	1.4
95.04895	37.3
97.02810	2.5
97.06456	8.3
107.04890	1.9
108.02061	1.8
109.06471	26.4
111.32279	1.3
119.04893	1.7
121.06470	2.6
123.08031	6.3
125.09603	20.1
127.11140	4.8
133.06508	2.6
135.08058	10.8
136.05153	1.8
151.07530	10.4
151.11166	2.5
153.09116	5.4
155.10666	1.9
157.45065	1.6
171.10168	100.0
172.10484	4.4
177.12782	2.1
185.11740	1.7
187.09673	9.6
189.12784	9.7
199.09688	2.3
201.11241	19.2
209.11694	7.8
227.12624	1.7
233.11766	11.7
249.14926	28.1
250.15247	1.5
250.53111	1.4
261.18695	2.0
263.16507	4.9
279.19693	8.1
287.16446	6.1
305.17557	25.6
323.18655	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	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	8.3
59.01254	9.6
65.03825	7.6
69.03312	8.1
71.01261	1.9
71.04891	9.9
71.45814	3.6
72.99199	2.6
73.02805	2.8
77.78831	1.7
81.03325	8.5
83.04897	24.3
85.02782	2.6
88.91320	2.1
89.80841	2.1
93.06976	8.7
95.04906	8.0
97.02821	6.6
97.06467	3.7
107.04871	2.4
108.02014	2.8
109.06463	7.6
110.03628	2.4
111.04473	2.0
111.08048	5.6
113.16220	2.2
115.87885	1.8
117.04955	2.2
121.02850	2.2
121.06461	13.9
122.03602	6.5
123.04381	3.1
123.08050	4.9
125.09578	4.2
127.78214	2.0
134.46266	1.8
135.08051	3.3
137.09616	17.4
139.07579	10.0
139.11162	10.0
147.04404	2.5
149.05962	3.4
149.09621	3.7
155.10692	11.0
163.11171	6.4
165.09100	2.3
179.10745	10.5
179.12009	2.1
181.12216	5.6
187.09641	2.2
187.58162	2.2
191.10381	1.8
195.10161	29.5
201.11217	2.4
205.12129	1.9
207.10223	2.5
209.11813	3.4
211.48392	1.8
221.11864	2.4
225.11301	11.3
227.12775	22.0
233.11771	45.8
234.12097	2.8
249.14951	9.8
251.12852	29.2
252.13232	2.8
259.16971	9.4
277.18024	6.8
279.19604	6.0
287.16571	15.6
305.17572	84.3
306.17841	7.6
323.18610	100.0
324.18900	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	323.186
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
57.03307	3.4
57.57659	0.7
58.00457	2.6
59.01248	18.1
69.03331	2.1
69.66771	5.6
71.01236	3.7
73.02811	2.1
77.98776	0.7
80.02552	3.7
81.03313	1.0
83.04885	1.8
85.02808	2.5
87.00712	1.1
87.04354	1.0
93.03345	1.0
95.04895	2.1
96.95866	1.6
97.02804	1.3
97.06434	3.4
98.03621	0.8
98.19746	0.9
101.02319	2.1
106.04057	1.9
107.04913	4.3
109.02837	1.0
109.06463	69.3
110.06786	1.9
111.95284	0.9
113.02306	1.1
121.06460	5.9
123.08034	23.2
125.05997	1.3
125.09601	18.1
127.11169	9.6
135.04424	3.6
135.08078	5.4
137.02333	0.9
137.09601	2.5
139.11119	1.8
141.09081	2.8
151.07652	1.6
151.11180	4.1
153.09131	5.5
155.10732	4.1
161.04520	1.6
161.06007	2.8
165.09109	4.2
167.10657	1.1
169.12128	0.9
171.10152	10.2
173.04498	1.3
176.03937	2.0
179.03372	4.0
181.67047	0.8
183.10249	1.2
185.11787	1.1
187.09671	1.9
191.05489	4.3
195.10149	4.9
199.09666	11.7
199.13315	0.9
200.10445	1.3
201.11241	85.6
202.11534	4.2
212.85515	0.7
213.11250	75.6
214.11552	3.4
243.17645	1.7
261.18506	1.5
269.15625	1.7
287.16495	76.4
288.16882	6.4
289.66000	0.8
305.17554	27.1
306.17804	2.7
323.18591	100.0
324.14954	1.4
324.18903	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	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10802	2.2
53.28479	2.3
57.03321	3.7
59.01241	18.1
63.45966	2.3
65.03838	2.9
69.03317	2.5
70.98920	4.2
70.99271	5.2
71.01236	3.3
80.02562	5.2
80.54871	2.1
81.03355	2.6
83.04903	5.7
95.04906	5.3
97.02837	6.3
97.06465	64.4
107.05048	2.1
109.06466	41.3
110.03622	2.3
112.77512	2.1
123.08058	9.5
125.09609	51.1
133.06415	2.4
133.15643	2.2
135.08032	23.7
137.09554	2.7
138.25194	2.4
151.07549	2.5
161.05988	36.0
162.75018	2.3
163.11180	7.1
169.08533	4.6
171.10097	3.5
181.12276	7.2
185.11795	5.1
207.10150	21.7
209.11794	6.8
223.13353	3.7
225.11305	19.9
243.17514	3.7
261.15024	2.7
261.18585	2.7
265.14545	3.5
277.18176	5.6
279.15997	68.5
280.16412	4.4
287.16547	26.6
288.16873	3.2
305.17566	100.0
306.18015	7.2
323.07962	2.4
323.18698	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	6.3
59.01250	28.9
65.03371	1.3
68.99685	1.4
69.02983	1.3
69.03310	6.7
70.55813	2.4
70.56200	2.9
71.01263	6.1
71.04884	8.5
72.99181	6.1
73.02805	1.5
76.12282	1.2
80.02554	2.9
81.03336	4.7
83.04896	4.4
85.02817	2.4
88.27152	1.4
89.02317	1.5
95.04902	19.3
96.95869	1.3
97.02826	37.5
97.03461	1.9
97.06461	6.0
98.03615	3.5
101.02315	3.6
107.04908	3.5
108.02055	2.1
109.06471	18.5
111.04366	6.2
111.08050	2.6
113.02347	2.3
121.06470	2.7
123.04376	5.8
123.08038	23.0
125.09604	13.0
127.11179	2.2
129.05434	1.4
133.06496	1.5
135.08035	9.6
137.06007	2.3
137.09605	2.5
139.07529	5.0
139.11140	2.0
141.09113	1.7
147.91507	1.5
149.09595	13.5
151.07545	6.2
151.11201	4.6
153.09071	2.7
155.10762	1.6
161.04523	2.9
161.05963	1.6
161.09648	2.1
167.10657	4.8
171.10176	19.8
179.14297	1.5
185.11732	4.7
187.09642	3.0
189.12769	3.7
199.09685	5.7
201.11247	17.3
203.14337	3.3
207.10239	2.7
208.10875	2.0
209.11842	3.8
213.11223	8.2
223.13376	9.3
225.11330	1.8
231.17500	2.8
233.11868	1.7
241.15955	1.7
243.17487	5.7
247.13383	2.8
249.14882	5.3
251.12758	1.6
254.11737	2.3
259.16986	8.6
261.18634	2.4
263.16434	1.9
265.14536	7.4
269.46802	1.3
277.18091	5.2
287.16501	16.9
288.16830	2.4
305.17557	80.1
306.17987	5.8
311.91531	1.4
315.18884	1.6
323.18613	100.0
324.18985	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	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
54.90015	1.1
55.01743	1.1
57.03315	3.7
59.01241	11.3
69.03329	1.8
71.01266	1.5
71.04895	13.5
71.07813	1.8
72.98170	1.1
73.02791	1.6
81.03330	3.7
83.04892	4.9
93.03315	2.1
95.04910	4.6
97.06469	2.0
106.04098	2.0
108.02050	25.9
109.02876	1.4
109.06468	2.2
110.03640	2.3
111.04391	3.2
121.02811	3.5
121.06461	13.1
122.03603	2.1
123.04415	12.2
123.08052	3.3
125.09622	2.3
129.65915	1.3
135.08037	2.7
139.07590	2.2
139.11215	6.7
147.04384	1.6
149.09624	1.4
151.07616	1.4
162.06796	1.4
164.08250	1.4
171.10217	3.0
189.12764	4.9
197.11711	1.8
199.13322	100.0
200.13626	4.5
200.83890	1.2
203.14409	1.3
207.13817	2.5
209.11754	3.9
211.13300	2.0
215.10690	1.6
221.11787	3.2
233.11778	25.4
234.12181	1.8
243.17578	1.6
247.13419	2.0
249.14992	2.3
251.12857	50.6
252.13089	2.9
261.18677	1.5
265.14413	4.5
269.15399	1.5
279.19455	2.1
287.16556	15.6
305.17599	44.4
306.18152	2.5
323.18604	22.1
324.18951	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	323.2225
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.98291	0.8
52.75790	0.7
56.41136	0.6
57.03310	1.8
59.01249	29.6
69.03316	1.2
69.86639	1.7
69.87053	1.9
71.01249	3.8
71.04890	1.5
73.02825	1.1
80.02538	1.9
81.03315	1.9
83.04903	1.2
85.02814	1.1
89.02299	1.5
95.04893	2.1
96.95896	2.1
97.02814	2.5
97.06469	1.3
101.02327	2.3
107.04898	0.7
107.08556	1.3
108.02089	0.7
109.06463	2.5
110.03625	1.1
111.08051	1.5
113.02310	1.5
113.09591	0.9
119.08553	0.7
121.02838	2.2
123.04427	6.7
123.08051	10.1
125.09589	4.4
135.08047	1.5
136.05171	1.0
137.09622	5.9
139.07518	0.9
139.11194	7.4
142.02620	2.1
149.09598	0.7
151.07567	3.8
152.08347	5.4
153.09111	4.9
161.04449	1.8
165.01793	0.7
165.12714	1.3
167.10701	1.0
167.14348	0.9
168.06705	0.7
171.10237	3.8
177.12747	7.0
185.11742	1.0
187.09578	1.1
193.12195	1.6
195.13823	16.5
196.14215	0.8
197.11723	1.0
199.13347	1.9
201.11169	1.4
203.14319	1.6
211.13309	3.5
221.11790	32.5
221.15199	6.6
222.12138	1.3
233.15392	1.2
235.13264	1.1
247.20703	3.8
249.18478	0.9
251.12825	1.5
253.14423	33.9
254.15164	4.4
254.35773	0.7
261.22189	1.7
263.11377	0.9
263.20355	0.8
273.18674	4.8
279.19604	1.3
279.23151	0.7
291.19647	66.3
292.20090	3.9
305.17618	3.3
305.21130	23.0
306.21570	2.0
307.18982	0.9
308.19913	7.0
323.22241	100.0
324.22580	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03314	2.8
59.01248	15.8
64.93761	0.7
70.11469	2.6
70.59872	0.8
71.01257	1.3
73.81863	0.9
75.62883	0.7
82.36834	0.7
85.37540	0.7
86.51678	0.7
87.42332	0.8
98.20509	1.0
98.78868	0.7
99.63108	0.7
107.08532	10.4
111.08064	1.3
114.53624	0.7
123.08028	2.7
125.09628	1.3
135.08011	1.0
137.09618	1.2
139.11194	9.7
165.09134	0.9
165.12682	1.5
167.10699	6.8
171.10150	1.4
183.10144	1.3
185.11760	0.8
193.12219	2.4
195.13788	1.1
195.75919	0.8
199.13351	6.2
213.11362	1.4
223.13399	1.0
239.12720	1.0
247.20554	5.0
254.15201	1.5
263.20053	1.5
273.18640	2.9
291.19638	100.0
292.19977	7.3
295.22522	0.9
305.17688	1.0
305.21243	2.0
308.19849	9.4
320.99081	0.8
323.16309	2.1
323.22238	79.9
324.22623	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	324.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	0.8
65.99751	0.4
66.03356	1.7
66.13085	0.5
67.01751	2.1
68.01278	1.2
68.04913	0.9
68.99681	0.5
69.03323	18.8
69.27888	3.2
69.28291	1.4
70.02840	0.8
71.01276	0.5
73.02815	13.0
79.01742	1.0
85.02823	3.8
92.04913	0.5
93.03340	1.1
93.22353	0.4
94.02856	1.3
95.01272	3.2
97.09134	0.5
99.04394	0.5
102.62087	0.5
104.04929	1.1
111.04379	0.7
116.04926	1.3
118.06516	4.7
119.04900	1.2
120.04418	2.3
122.02330	1.3
123.00772	1.1
123.08034	0.4
124.03928	6.2
125.06004	0.9
125.09605	0.8
127.03906	1.2
128.04906	0.9
130.06526	4.2
131.03644	1.9
132.04430	1.4
134.05998	0.6
138.03096	2.2
144.04434	2.1
146.06004	15.4
146.07152	0.8
146.94563	0.5
147.04385	1.8
147.06328	0.8
148.03947	3.3
149.05922	0.6
150.05405	0.6
152.03433	1.7
159.03171	1.1
162.05504	1.9
164.07076	16.9
165.04147	0.9
165.07361	0.7
171.10098	0.6
174.05507	11.6
175.05820	0.8
176.07130	0.7
178.08658	6.5
179.07054	1.3
188.07103	1.7
191.05780	1.0
191.21234	0.5
192.06555	1.1
201.11180	1.3
206.08151	100.0
207.08449	3.5
213.11288	0.5
238.10793	37.9
239.11087	1.8
289.18015	1.2
307.19202	1.4
324.14508	30.1
325.11362	0.5
325.14584	2.3
325.20187	2.0
328.81628	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	324.1451
Annotation	Monocrotaline
Peak:m/z	Relative Intensity
50.37832	0.3
59.01247	0.5
63.50771	0.2
67.01759	2.7
68.01296	0.4
69.03325	100.0
70.03666	1.4
77.68104	0.2
85.02824	1.7
99.04396	1.2
115.49154	0.2
121.99043	0.2
122.02364	2.8
122.48341	0.2
123.04369	0.2
124.03905	0.3
144.04472	0.2
146.06023	1.6
164.98601	0.2
174.05513	4.6
178.08649	0.4
206.08116	0.3
221.87320	0.2
229.52309	0.3
238.10858	0.7
263.98816	0.2
310.67288	0.3
324.14508	12.1
325.14719	0.7
325.20233	0.3
332.23514	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	324.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67268	0.2
57.03310	0.3
57.21306	0.3
57.56035	0.3
59.01239	0.8
67.01778	2.0
68.01287	1.0
69.03325	100.0
69.60528	0.3
70.03655	1.5
70.86926	0.3
71.04877	0.3
71.35997	0.6
84.04430	1.4
85.02827	1.8
99.04404	0.7
99.70290	0.2
100.03915	0.4
104.59549	0.3
108.04450	0.4
110.06015	0.4
111.07989	0.5
122.02356	3.7
123.04390	0.3
124.03936	0.4
125.09576	0.4
144.04456	0.4
145.90379	0.3
146.05995	1.4
154.04994	0.4
171.10197	1.5
174.05522	4.9
178.08644	0.6
179.06958	0.4
201.11240	1.0
206.08110	1.5
213.11238	0.5
222.07649	0.6
286.18213	0.3
287.15018	0.3
289.18121	1.5
292.11853	0.5
307.19171	1.0
324.14508	16.7
325.14902	1.1
325.20154	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	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
51.47207	0.6
52.13641	0.6
53.19814	0.6
54.28120	0.7
58.20311	0.5
67.13782	0.5
67.21844	0.6
71.31709	1.2
88.62589	0.5
119.04913	100.0
120.05274	3.3
134.48204	0.6
147.37955	0.5
154.18068	0.6
163.03914	78.2
164.04295	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34526	1.2
57.03314	4.8
59.01244	4.0
59.41256	1.2
62.96257	1.2
66.09328	1.0
67.78423	1.1
69.69796	6.6
71.01255	2.0
71.04897	3.1
72.75684	1.0
73.02839	1.2
80.02549	5.2
83.04883	1.9
84.02048	5.5
97.02811	1.3
97.06464	9.8
110.03593	1.3
111.08060	1.4
115.07444	1.5
120.09167	1.1
120.77608	1.2
123.08019	6.2
125.09612	69.6
126.09938	1.7
127.11158	3.7
135.08058	2.0
137.09613	40.3
138.10005	1.7
139.11206	1.6
142.02614	3.2
151.07498	1.5
151.11157	1.4
153.09116	30.1
155.10686	9.6
163.11250	1.6
164.08354	2.8
169.08611	1.5
171.10181	24.5
181.12276	1.7
185.11606	1.2
187.09666	3.5
201.11258	5.8
209.11807	8.0
213.11217	2.9
225.11284	2.2
227.12843	8.4
245.19075	2.0
254.09912	1.2
263.20007	2.0
279.19562	2.8
281.21124	2.7
289.17990	8.7
297.20837	1.3
307.19138	100.0
308.19522	7.1
325.20184	27.5
325.23108	1.1
326.20535	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	325.2016
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03323	4.9
58.00473	1.6
67.71179	1.4
69.72853	8.9
71.31162	1.7
83.04910	1.8
88.31972	1.3
97.06451	2.3
111.08046	23.4
123.08034	3.7
125.09613	30.8
127.11176	9.1
134.12636	1.4
135.08061	2.3
137.09621	7.9
139.11177	2.3
141.09122	2.1
151.11186	2.8
153.09128	5.1
155.10661	3.8
164.08313	1.6
165.09122	4.1
165.88994	1.4
171.10173	12.4
195.10248	4.3
199.09650	2.9
201.11249	80.9
202.11635	2.1
213.11270	57.4
214.11584	3.0
289.18079	23.5
307.19101	50.2
308.19556	2.6
325.20169	100.0
326.20490	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24489	0.9
57.03328	5.8
58.00470	1.4
59.01241	3.0
66.57491	1.0
70.70949	2.3
70.71352	2.6
73.02821	8.3
83.19827	1.0
95.04890	1.5
97.06460	13.0
101.26962	1.1
112.91484	1.0
123.08035	15.3
125.09611	100.0
126.09949	3.9
127.11169	4.9
137.09616	1.9
141.09111	77.9
142.09428	3.1
143.10690	2.5
153.09099	1.4
155.10674	6.3
165.09198	1.7
167.04350	1.2
169.08588	4.0
171.10194	8.9
183.10172	1.2
187.09669	15.2
199.09650	2.7
201.11252	79.8
202.11482	3.0
227.12801	2.9
263.20154	11.4
264.20633	1.6
267.19690	1.9
279.19659	2.1
281.21173	3.7
289.18231	1.2
297.20721	13.0
307.19125	25.1
308.19318	1.9
325.20160	19.4
341.55682	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.1
58.00463	2.0
59.01239	1.7
69.03335	2.0
71.19164	2.2
73.02817	7.6
82.00243	1.6
97.06464	13.0
98.06810	1.3
109.02246	1.3
111.08057	1.9
113.93974	1.4
123.08054	19.5
125.09611	100.0
125.54989	1.2
126.09958	3.1
127.11185	5.2
135.08031	2.1
137.09583	3.4
139.11162	1.3
141.09113	66.6
141.10223	3.2
142.09477	2.0
142.18698	1.3
143.05423	1.7
143.10693	5.8
153.09090	1.9
155.10678	8.5
165.09216	2.2
169.08586	3.9
171.10196	16.3
183.10182	2.8
187.09698	14.3
197.80298	1.6
199.09735	6.7
201.11255	82.5
202.11607	3.4
209.11765	1.7
213.11292	1.8
227.12805	4.0
229.14481	1.9
236.91716	1.6
263.20087	14.1
267.19498	2.6
281.21143	3.4
289.18079	3.2
297.20639	8.9
307.19107	23.5
308.19565	1.7
325.20181	21.0
326.20557	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	325.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47836	0.9
57.03316	5.7
59.01231	1.6
69.75626	1.6
69.76035	4.7
71.01237	1.2
71.04885	3.5
73.02832	1.0
80.02541	8.9
81.03335	1.0
83.04884	1.5
84.02032	9.9
85.02821	1.2
95.04887	1.3
97.06456	13.1
99.08026	1.4
111.08051	1.3
113.09586	3.2
123.08033	7.5
125.09608	89.4
126.09933	2.4
127.11166	4.5
135.08031	1.9
137.09608	47.1
138.09990	1.8
139.11226	1.9
141.09152	1.2
143.03661	0.9
151.11171	1.6
153.09125	6.3
155.10669	14.0
161.84230	0.9
164.08272	1.5
165.12819	0.9
167.10669	1.1
169.08611	2.8
171.10172	5.5
181.12259	2.0
187.09645	4.3
191.10643	1.2
195.53152	0.9
199.09642	1.8
201.11313	2.2
209.11804	6.6
213.11256	1.8
227.12718	3.8
238.28951	0.9
245.19116	1.1
250.11931	1.4
253.17947	1.6
263.20505	1.1
279.19714	4.3
281.21207	2.8
289.18112	9.4
297.20755	1.1
307.19119	100.0
308.19556	8.9
325.20163	23.8
326.20441	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	325.2018
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
52.62334	0.7
57.03319	4.7
58.69431	0.7
59.01253	1.6
69.03331	1.1
71.01279	1.4
71.04893	3.0
71.07946	1.3
71.08280	1.2
77.85814	0.8
80.02535	6.8
80.16621	0.7
81.03358	0.9
83.04893	2.7
84.02032	6.1
84.65809	0.7
95.04898	1.0
97.02806	1.2
97.06458	11.0
99.08033	0.9
107.90787	0.8
113.09589	2.6
119.08561	1.1
122.03667	1.0
123.08025	6.5
125.09611	70.3
126.09962	2.5
127.11159	2.1
137.09615	40.3
138.09914	1.3
141.09105	1.2
149.09650	1.0
153.09077	2.2
153.12717	1.3
155.10698	10.1
163.11192	1.6
164.08362	1.9
165.12767	1.5
169.08614	2.9
170.85794	0.8
171.10225	2.4
187.09689	2.1
190.70139	0.8
209.11763	7.5
215.12907	0.9
227.12790	2.6
240.68327	0.9
245.19205	1.4
250.12045	2.1
253.18088	1.9
263.20035	1.4
279.19611	2.6
281.21136	1.9
289.18021	7.0
307.19135	100.0
308.19464	6.7
325.20218	15.8
325.23688	0.6
346.68280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2017
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03316	7.2
57.50135	1.1
58.00465	1.8
59.01242	4.3
69.03314	3.1
70.92858	3.2
71.01254	1.5
72.02032	1.1
73.02807	2.0
80.02531	1.9
83.04906	2.3
85.02808	2.0
88.14512	1.0
97.06444	3.5
110.03601	1.7
111.08028	27.3
121.02866	1.2
123.08041	4.8
125.09605	35.5
127.11166	14.5
135.08034	3.4
137.09613	11.6
139.11180	2.6
141.09073	3.9
146.05969	1.3
147.06311	1.2
149.09593	1.2
151.07593	1.2
151.11179	5.8
153.09081	6.4
154.86298	1.1
155.10699	7.5
164.08327	4.0
165.09154	5.0
171.10170	22.0
175.05721	1.2
178.08502	1.2
183.10091	2.1
185.11752	1.4
188.36108	1.1
195.10226	5.2
199.09665	5.5
201.11244	99.5
202.11584	4.2
206.08131	2.9
207.08514	7.6
211.13364	1.3
213.11253	66.2
214.11554	2.7
227.12749	3.2
239.11137	2.9
245.19048	3.8
250.12091	1.8
263.16183	1.4
263.20102	1.7
279.19638	1.9
289.18073	29.9
290.18503	1.5
307.19113	51.7
308.19510	3.3
325.14539	2.9
325.15213	2.9
325.20163	100.0
326.20358	7.6
329.93845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43058	0.6
57.03322	2.0
59.01241	2.6
62.79544	0.6
64.38039	0.6
64.64904	0.6
69.03304	0.9
69.47669	4.9
71.04886	2.8
80.65844	0.6
83.04872	1.0
97.06456	1.4
110.03641	0.9
111.08044	2.4
113.09599	2.0
123.08027	0.8
125.09611	6.7
127.11166	1.5
128.87624	0.7
137.09612	2.5
138.97507	0.7
139.11165	10.0
141.09134	1.3
153.09134	4.9
154.09879	1.5
155.10663	1.1
161.81281	0.7
163.11244	0.8
165.12732	1.2
167.10721	1.1
167.14265	1.6
171.10194	1.4
177.12762	10.3
179.10661	0.8
181.12257	0.7
183.01160	3.3
195.13841	48.7
196.14224	3.6
197.02718	6.0
197.11781	0.7
201.11272	5.4
209.11749	0.7
209.78966	0.8
211.13393	4.5
213.11276	2.5
227.12878	2.5
247.20586	0.6
249.22160	2.7
254.15170	0.9
263.70163	0.6
265.21695	2.1
275.20108	2.5
289.18042	1.5
293.21210	39.0
294.21536	2.6
307.19110	6.7
307.22772	7.6
309.20636	1.6
310.21426	4.7
325.17841	12.4
325.23798	100.0
326.18564	0.7
326.20465	0.6
326.24133	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	325.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.5
59.01243	4.7
69.03308	1.3
70.92844	2.6
71.01258	1.2
71.04906	0.9
76.51342	0.8
79.95615	1.2
80.02536	1.0
83.04890	1.5
89.01404	0.9
90.66261	0.9
93.03326	1.1
97.06454	2.1
99.08024	2.1
99.49958	1.0
104.21512	0.9
105.00620	1.0
111.08036	2.2
113.09595	2.6
113.59357	0.9
113.69582	0.8
121.10084	2.8
123.07999	1.9
125.09603	8.7
126.13068	1.0
127.11180	3.4
137.09624	5.6
139.11180	36.2
139.12247	2.0
140.11508	1.1
141.09097	3.3
151.11252	1.1
153.09088	3.1
153.12733	1.2
153.34096	1.0
163.05986	1.2
165.12752	2.6
167.10666	1.9
171.10167	24.8
177.12756	6.4
179.14325	1.1
183.01125	30.3
183.10132	1.7
184.01677	2.8
193.12230	3.7
197.02705	17.0
198.03210	1.4
201.11261	4.9
209.11739	2.2
213.11188	1.8
227.12785	5.3
230.02553	2.2
243.19609	1.7
249.22070	1.6
263.20230	0.8
275.20184	6.6
289.18036	1.8
291.19644	3.9
293.21198	18.8
294.21381	1.4
307.19073	8.6
307.22769	15.0
325.18387	87.9
325.23792	100.0
326.18710	9.9
326.24039	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	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
59.01245	3.4
66.93757	0.4
68.07658	0.5
69.39787	4.9
79.95634	1.8
80.04104	0.5
83.04891	0.6
83.25497	0.5
87.47794	0.5
98.19791	1.1
101.02362	0.6
105.03160	0.5
108.10204	0.5
111.08039	1.3
119.04902	1.4
121.10118	0.7
123.08050	0.9
125.09619	4.1
127.11196	0.6
137.09608	1.4
139.11191	4.0
151.11159	2.0
155.10620	0.6
167.10663	5.0
170.00360	2.5
171.10184	6.7
177.12740	1.2
183.01131	54.1
183.10165	2.2
184.01524	2.2
195.13815	0.5
197.02690	7.4
199.13182	0.8
201.11208	2.8
201.99223	0.7
209.11766	0.9
213.11285	1.6
225.05948	1.0
227.12843	2.5
230.02440	0.9
239.07361	1.2
249.22354	0.7
253.08885	0.7
265.21756	2.1
275.20203	2.4
281.24887	0.5
289.18069	0.9
293.21216	20.3
294.21570	1.2
307.19141	4.2
307.22775	3.4
309.20682	0.7
310.21490	2.9
325.18402	100.0
325.23807	86.8
326.18695	11.2
326.24167	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	327.0872
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
58.54654	0.5
58.98227	0.4
59.01241	1.2
62.74151	0.5
65.59586	0.6
69.25817	5.9
75.00744	2.5
93.03330	26.5
96.99194	6.8
98.20498	1.0
101.02319	0.9
109.02804	0.8
117.03339	2.2
119.04050	1.2
119.04906	25.4
121.02847	0.8
123.04391	2.4
130.04135	2.0
131.04912	6.1
132.05685	0.9
133.02849	4.6
137.02312	1.2
143.04918	19.4
144.05197	0.7
145.02847	3.7
145.06451	1.5
147.04428	1.3
150.35956	0.6
159.04430	1.3
163.03891	13.1
171.04440	2.7
195.04318	0.8
210.06956	0.6
211.07555	7.0
219.08046	0.7
221.09602	1.3
222.06911	0.7
223.07524	1.2
235.07588	5.6
237.09167	8.9
239.10704	1.4
249.84279	0.6
263.07199	0.7
265.08667	23.1
266.09058	1.5
281.08414	0.6
283.09695	6.6
284.10297	0.6
309.07648	5.8
327.08691	100.0
328.08997	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	327.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87367	0.9
54.59191	0.9
58.00441	1.8
59.01248	42.1
69.64352	2.6
69.64783	3.7
71.01252	21.9
72.99176	3.5
73.02822	0.9
75.00726	1.3
76.92398	0.8
79.66297	0.9
83.01234	1.3
85.02814	3.5
87.00748	1.9
87.92752	0.9
89.02312	18.1
95.01251	2.4
101.02319	12.1
113.02325	7.7
119.03392	7.1
119.04893	6.6
143.03407	1.2
147.04414	100.0
148.04762	4.6
165.05496	13.9
266.04691	1.0
327.10858	52.4
328.11142	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	327.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52567	0.9
58.00462	1.7
59.01250	35.8
67.70046	0.9
71.01254	22.7
71.58531	1.5
72.65882	0.9
72.99181	4.4
73.02799	1.6
82.44704	0.8
83.01236	1.5
85.02822	4.7
87.00747	3.2
89.02316	17.1
91.90372	1.0
95.01244	2.0
101.02316	14.6
105.05459	0.9
113.02324	7.4
119.03392	9.8
119.04859	4.5
147.04414	100.0
148.04739	3.9
149.02393	0.9
161.04459	0.9
165.05467	14.5
179.05479	1.2
327.10843	51.4
328.11316	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	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10759	0.9
59.01245	17.6
62.85493	0.9
71.01260	4.1
71.58543	1.5
72.48756	0.9
75.00752	1.8
93.03356	6.4
101.02309	1.2
113.02326	1.2
119.04928	0.9
121.02859	1.0
121.06471	5.3
147.04422	2.4
149.02328	1.1
150.03139	7.7
165.05479	100.0
166.05865	2.8
183.93382	0.9
327.10837	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	327.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78398	0.9
56.04724	1.0
57.03305	1.3
59.01246	2.2
71.01243	1.0
71.58571	1.4
71.58949	1.1
72.05287	0.8
73.98197	1.8
74.98965	1.9
75.89079	0.8
81.03310	1.0
83.04910	2.3
84.95502	0.8
85.02856	1.6
87.00743	3.1
87.02592	4.0
93.03319	0.9
113.04192	6.6
120.85406	0.9
120.99552	5.8
121.06477	2.2
129.03680	3.1
134.09802	0.9
137.04202	28.0
138.04622	1.0
145.02789	1.2
152.02875	1.2
152.06480	1.6
153.07288	3.7
154.04454	1.7
155.05272	11.4
165.03700	4.6
171.10130	1.4
174.03131	2.2
186.03172	1.1
187.11220	1.4
191.05411	2.2
195.08372	1.8
196.57620	1.1
201.11160	1.2
202.02647	2.0
205.06723	2.5
205.12155	1.8
206.07556	3.9
211.13396	1.1
213.11172	1.0
216.00655	1.6
219.08315	1.6
221.09995	100.0
222.10390	5.0
225.09377	1.1
230.02104	1.8
239.11063	81.1
240.11392	5.3
253.18164	1.2
283.13217	1.5
297.07834	1.1
309.11612	27.6
309.15009	1.9
310.11996	2.1
312.10022	2.2
316.26959	1.1
327.08743	3.4
327.12567	19.2
327.15878	2.0
327.21646	12.2
328.12888	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26208	0.7
54.94294	0.8
57.03315	3.7
58.00454	1.8
64.40556	0.7
69.03335	1.0
70.02334	3.7
71.01237	1.2
73.02817	1.3
88.39764	0.7
95.04890	1.3
97.06453	12.6
98.19901	1.1
103.14617	0.8
107.64508	0.7
113.09608	0.9
115.07545	3.2
123.08045	7.3
125.09601	100.0
126.09943	3.0
126.94068	0.7
127.11179	7.1
137.09634	1.5
139.11162	3.5
143.10667	97.0
144.11021	2.6
150.25438	0.8
153.12744	1.4
155.10645	3.3
157.12245	6.6
165.09123	1.9
169.08607	2.6
171.10172	9.6
183.10153	1.8
187.09677	13.6
197.11769	1.6
199.09612	0.9
199.13182	0.8
201.11244	78.4
202.11615	4.0
213.11189	0.8
215.12779	1.6
227.12848	3.5
229.14357	2.0
263.88831	0.8
265.21750	6.4
268.10559	0.8
269.21191	2.2
291.19751	2.2
299.22250	14.1
309.20709	20.5
310.20862	1.7
327.21729	23.9
328.22198	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03312	3.3
58.00459	0.9
59.01239	3.0
61.98695	1.7
69.03316	3.3
70.73215	0.6
71.01250	2.0
71.04903	0.8
71.58638	0.9
72.35899	0.7
83.04877	1.8
84.02003	0.9
85.02822	7.6
85.06468	1.0
89.02314	1.0
95.04932	0.9
97.02826	1.6
97.06467	2.9
99.08042	1.5
111.08051	1.4
119.08525	1.1
123.08035	1.1
125.09621	5.2
127.11161	1.9
129.05460	1.2
129.09088	1.9
133.42929	0.7
134.36827	0.7
135.08026	0.8
137.09625	4.7
139.11273	0.9
141.09161	1.5
143.10689	2.3
153.09091	0.8
155.10670	1.6
157.08580	1.9
157.12210	0.7
165.12759	1.2
171.10168	23.3
172.10500	1.9
183.01131	0.9
183.13828	4.5
185.11792	1.7
193.12242	0.8
195.13826	0.9
197.11816	1.9
201.11232	6.7
202.11546	1.3
209.11792	2.4
211.13329	7.7
212.13411	0.9
213.11308	1.7
221.11761	1.5
223.13368	0.9
227.12770	1.6
229.14465	4.9
230.09297	0.7
291.19574	5.6
299.22168	0.8
309.20404	6.4
311.12842	1.9
312.13580	6.1
327.16168	9.7
327.21729	100.0
328.16449	1.3
328.22064	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	327.2173
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03316	4.5
58.00456	0.7
59.01247	0.7
62.43270	0.6
64.82194	0.6
69.03331	0.6
69.88114	3.2
72.41803	0.6
97.06454	1.1
113.09602	11.3
123.07942	0.6
125.09589	5.0
127.11185	5.5
137.09613	1.0
139.11153	0.9
141.09088	1.2
145.65608	0.6
151.11169	1.0
153.09073	1.0
155.10701	2.3
165.09106	2.4
171.10182	4.1
171.61453	0.5
181.11371	0.6
183.10295	0.9
195.10191	1.9
199.09641	1.3
201.11253	45.8
202.11610	1.8
213.11247	30.2
214.11476	0.8
235.00888	0.5
247.20630	1.1
291.19656	4.7
309.20715	13.4
310.20972	0.7
315.12119	0.8
327.21732	100.0
328.22067	5.4
343.22675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85574	0.9
57.03321	4.5
58.00463	1.3
59.15438	1.0
64.17381	0.8
71.45880	2.1
73.02803	1.1
74.16479	1.0
85.02858	1.3
95.04922	1.5
96.08892	1.0
97.06461	13.1
123.08046	7.5
125.09605	100.0
126.09922	2.3
127.11121	6.7
135.91125	1.0
143.10670	86.0
143.61102	1.1
144.11008	4.0
155.10648	3.4
157.12198	6.3
165.09120	2.1
169.08575	2.2
171.10188	8.0
183.10158	1.7
187.09677	10.3
199.09589	1.5
201.11241	69.6
202.11604	1.4
203.22197	1.0
213.11243	1.7
216.28304	1.0
223.49826	1.0
265.21735	5.3
269.21036	1.9
275.94159	1.0
279.95694	1.1
291.19876	2.6
299.22253	13.2
309.20697	21.4
327.16034	2.4
327.21725	29.2
328.22095	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	327.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30297	0.9
57.03326	7.7
58.70450	0.9
59.01234	1.0
59.19494	1.0
59.82407	1.0
61.70424	0.9
63.02227	0.9
69.01199	0.9
71.13869	1.9
72.01976	1.3
72.73556	1.0
73.02793	1.2
85.02824	1.3
97.06447	1.8
97.16296	0.9
99.22674	1.0
113.09612	12.4
123.08031	1.2
125.09625	8.2
127.11179	8.7
137.09573	2.0
139.11147	1.1
141.07910	1.1
141.12781	1.2
143.10689	1.1
151.11261	1.3
155.10686	7.8
157.12236	2.4
165.09131	1.6
169.12294	1.4
171.10172	12.1
171.13786	1.6
183.10229	0.9
185.11740	1.8
190.21834	1.1
195.10226	1.2
196.75122	1.0
197.11803	1.1
199.09787	1.5
201.11244	49.2
202.11665	1.9
212.85738	1.1
213.11250	26.4
227.12689	2.3
265.21750	3.8
281.21146	4.6
291.19598	4.2
309.20624	9.8
327.21747	100.0
328.22107	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	327.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34996	0.5
52.37431	0.4
52.86291	0.6
55.01713	0.6
57.03323	3.7
59.88521	0.6
65.87984	0.5
69.03328	3.0
69.16650	0.5
69.46534	0.5
71.01250	1.1
71.04878	1.0
71.35559	0.8
78.35809	0.6
83.04906	1.1
84.01974	0.5
85.02823	13.3
95.04889	0.6
97.02821	2.1
97.06455	4.2
113.09582	1.1
113.93520	0.5
119.08556	1.2
125.09576	1.4
127.11178	1.9
137.09621	4.8
165.12692	0.9
167.14372	0.8
167.91235	0.5
171.10173	28.5
172.10614	1.4
177.12715	0.6
183.13799	3.8
185.11768	0.8
201.11247	6.0
211.13310	9.3
213.11275	2.4
221.11772	0.7
225.65106	0.6
229.14439	4.1
239.12816	0.7
273.99484	0.6
291.19724	3.2
309.20700	1.7
327.21735	100.0
328.22064	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.57091	0.6
57.03316	2.6
58.00481	0.7
59.01241	0.6
66.35524	0.5
67.78091	0.4
69.03325	2.2
69.54107	3.4
69.84634	0.4
71.01265	1.0
81.98415	0.4
83.04900	1.5
84.02039	0.7
85.02816	9.0
92.09599	0.5
95.04893	1.2
97.02806	1.0
97.06464	5.6
104.72935	0.5
110.03654	0.6
111.70415	0.5
125.09595	2.2
127.11191	2.0
137.09604	1.8
151.11209	0.5
155.10675	1.0
155.14311	1.0
165.12738	1.5
167.10722	0.5
167.14310	1.1
171.10173	18.3
175.11153	0.7
177.12778	1.6
183.13840	5.7
185.11746	2.3
193.12257	1.9
197.11725	0.9
201.11211	0.9
203.10715	1.2
208.21762	0.5
209.11807	2.4
211.13342	27.5
212.13608	1.6
221.11728	3.5
229.14412	16.0
229.16705	0.7
230.14699	1.0
239.12810	2.5
291.19684	3.7
292.20074	0.6
309.20575	1.6
327.21759	100.0
328.22104	9.6
347.51926	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	329.0875
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
52.16081	5.6
53.89125	5.4
59.01254	17.6
65.13213	6.7
66.37843	5.7
68.23301	6.0
71.01263	14.4
71.57516	12.4
89.02370	11.1
93.03398	6.5
95.87905	6.2
101.02304	8.9
106.06030	6.3
108.02055	62.1
122.03623	12.9
123.04404	62.5
133.01360	9.9
149.02353	14.1
152.01033	45.8
167.03409	100.0
169.03833	7.8
201.89882	7.1
208.39833	6.6
327.45163	6.6
329.08853	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	329.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87453	1.8
58.89081	1.6
59.01229	2.9
62.59934	1.8
70.51827	4.3
70.71033	2.0
71.01250	6.9
85.02812	3.8
93.90060	1.5
101.02331	3.7
104.69909	1.6
105.01278	1.9
113.02303	4.9
121.02823	2.3
122.03621	100.0
123.04465	10.3
137.02429	1.6
161.04465	5.3
165.05455	5.5
167.03419	2.1
177.05516	1.8
178.07236	1.9
217.51920	1.7
329.08841	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	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28864	1.1
59.01246	100.0
69.55530	9.3
71.01247	9.6
73.02815	1.9
85.02808	3.3
89.02373	1.6
93.03347	1.9
99.00711	1.3
101.02313	4.7
113.02301	1.6
119.04951	2.8
123.00789	2.2
123.04373	2.0
130.08644	1.8
132.59071	1.7
161.04462	3.7
167.03407	8.5
173.04411	1.9
191.05490	1.6
252.88710	1.3
269.10254	4.7
329.12314	3.8
336.79568	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	329.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
57.88276	0.3
59.01229	1.4
62.58495	0.2
63.14161	0.2
65.22010	0.2
71.27244	0.3
71.27575	0.3
83.04895	0.7
84.02056	0.4
85.02818	0.7
85.06478	0.3
87.00758	0.3
93.03330	0.9
99.08033	0.9
125.09616	0.7
127.11154	0.9
133.02795	0.3
134.03569	0.2
135.04416	0.7
137.09653	0.5
139.11171	1.3
155.10597	0.5
156.11037	0.4
157.08638	0.2
159.04243	0.2
171.10167	5.1
172.10533	0.9
173.04514	0.5
173.10753	0.6
176.03981	0.5
177.01912	0.4
178.02637	0.3
179.03432	0.5
183.13829	0.5
191.05521	3.7
193.12242	0.8
194.12663	0.4
199.07574	0.3
201.09299	0.4
201.11258	1.4
203.11823	0.3
211.13345	2.4
213.09171	1.0
213.11105	0.3
214.09943	4.3
215.10606	1.4
223.56369	0.6
225.14848	0.6
227.03351	0.5
229.14320	1.3
232.07530	0.3
241.12392	0.7
246.08931	1.0
255.13885	0.3
257.15427	2.0
269.11719	0.3
281.11899	0.3
285.15115	0.4
289.14542	0.2
296.14102	0.6
297.14838	1.2
299.12924	0.7
299.16388	0.4
307.19250	0.3
309.20615	0.3
311.16553	0.4
311.21161	0.2
313.14438	7.0
314.15164	3.1
315.15546	0.4
329.17563	100.0
329.23212	20.0
330.17883	7.9
330.23541	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	329.233
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
53.95930	0.3
54.84750	0.4
57.03318	1.3
59.01242	0.4
71.38741	0.5
71.39084	0.5
91.19991	0.4
95.80200	0.4
96.86864	0.4
99.08025	5.9
125.09586	1.8
127.11146	4.0
128.29712	0.4
139.11169	4.9
155.10693	0.7
155.14310	1.0
165.12694	0.6
167.10599	0.4
167.14297	1.9
171.10168	11.9
172.10547	0.6
179.13409	0.4
183.13829	5.5
184.14188	0.5
193.12236	1.7
209.11778	1.4
211.13322	29.7
212.13634	1.1
229.14389	15.3
230.14662	0.5
261.34149	0.4
293.21344	1.3
306.11133	0.4
329.23285	100.0
330.23605	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	330.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55414	1.6
58.00464	4.9
59.01249	81.0
70.91760	4.6
71.01251	64.0
72.99175	5.2
83.01269	3.0
85.02827	12.9
85.36708	1.9
87.00751	3.6
89.02316	61.0
95.01241	4.3
95.05979	2.1
101.01691	2.5
101.02319	33.9
113.02332	22.5
119.03375	23.2
130.08604	4.0
131.03427	2.8
138.01833	6.5
143.03362	5.1
151.02657	2.5
152.03444	26.8
161.04428	4.3
166.01355	7.5
168.02924	83.6
169.03261	2.2
179.05479	3.9
180.02846	3.1
183.01665	2.2
191.08910	1.8
192.02969	4.0
197.05562	6.3
209.11760	6.4
210.04025	22.6
222.03993	9.0
227.12849	2.6
240.05070	5.2
270.06165	4.5
291.54810	2.0
305.56653	2.4
330.08258	100.0
330.20245	2.4
331.08545	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	330.1193
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
59.01247	7.1
70.16600	6.4
71.01257	7.1
85.02818	2.5
85.99989	2.3
87.00756	21.6
89.02330	3.4
101.02332	3.4
113.02325	3.8
117.45183	2.0
122.06006	38.7
123.04371	2.9
129.01901	2.9
133.04974	3.2
134.04613	2.4
134.06030	3.6
136.07590	17.8
145.44099	1.8
150.05502	100.0
150.06732	4.8
151.03894	7.7
151.05820	2.3
152.07054	8.2
162.05542	4.5
169.05054	3.9
174.05457	2.1
175.06299	3.4
176.07051	7.3
192.06648	2.9
194.08145	4.2
204.06644	3.0
222.07600	4.1
252.08806	2.1
264.21472	2.2
312.10886	59.2
313.11292	3.8
330.11972	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	331.1395
Annotation	Trp-Ala-Gly
Peak:m/z	Relative Intensity
50.92639	1.7
55.01746	7.8
57.03313	4.4
57.82796	1.8
58.00463	3.9
59.01249	82.6
62.29658	2.0
63.37994	1.9
71.01250	88.5
71.58878	2.7
72.99182	4.1
73.02815	22.8
82.02853	3.9
83.01263	14.3
83.18924	2.1
85.02814	38.9
87.00739	4.7
89.02313	44.2
95.01254	8.0
99.00749	8.7
101.02320	73.5
111.61168	1.9
113.02329	32.4
119.03392	23.3
125.09591	5.4
128.54126	1.7
153.01889	2.8
159.02858	3.9
161.04472	7.6
178.99702	1.9
179.05519	2.8
182.73868	1.9
233.71619	1.9
287.10379	6.2
313.32135	1.8
331.13965	100.0
332.14246	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	331.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58472	0.3
54.79435	0.3
59.01233	0.6
59.98372	0.4
69.86213	1.9
71.01250	19.2
75.69125	0.4
85.02834	1.2
99.04373	0.6
101.76801	0.4
125.09595	1.5
125.99236	3.8
133.29800	0.5
137.05994	0.5
137.09605	0.6
137.46494	0.4
140.00789	0.4
141.09090	7.3
143.10660	0.5
155.06821	0.7
162.39091	0.4
165.01587	8.9
165.08900	1.2
171.10205	1.0
175.72423	0.5
180.03986	0.5
181.08376	2.6
183.09940	2.9
191.06773	0.8
193.04718	1.6
193.08376	16.6
194.05550	0.7
194.08757	1.0
197.07870	0.6
199.09712	0.6
207.09911	0.6
209.07864	6.2
210.08243	0.4
212.02893	0.5
221.07849	5.3
222.08676	100.0
223.09433	50.4
224.09743	2.1
225.07343	1.8
227.09026	3.1
230.09525	0.4
236.10202	0.5
237.10916	0.8
245.18753	0.5
248.10211	1.2
254.07680	8.8
262.11877	1.0
267.08484	0.6
301.17892	1.0
303.05582	0.4
303.16296	0.5
303.19290	2.8
313.17865	4.2
331.18903	28.9
332.19272	2.6
347.18155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1913
Annotation	Spiraminol
Peak:m/z	Relative Intensity
54.44781	0.2
54.55894	0.2
59.01243	0.3
64.18499	0.2
68.90192	0.2
71.01239	0.3
72.91946	0.2
73.02814	2.4
158.07272	0.3
159.08023	0.2
173.05994	0.3
186.10440	0.5
190.06334	0.3
191.05499	0.7
195.37209	0.2
199.07643	0.3
201.09163	0.3
241.12306	2.8
241.15956	1.2
242.13019	0.9
255.13768	0.7
257.15436	38.6
258.15753	3.1
269.15472	3.5
270.15863	0.2
274.12186	1.4
283.17010	0.7
285.18567	42.5
286.15677	0.3
286.18884	2.8
295.16949	0.2
299.16461	2.2
300.16745	0.2
301.17953	1.0
302.15216	0.9
313.18079	5.3
314.18491	0.5
315.16013	2.1
329.17490	0.7
330.64014	0.2
331.19119	100.0
332.19482	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	333.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.3
57.03303	1.9
58.00461	1.7
59.01250	29.8
71.01251	30.4
71.58540	1.4
72.99167	1.8
73.02814	8.6
75.00740	1.2
78.95782	1.1
80.04920	1.0
83.01250	3.7
85.02824	13.3
87.00736	2.6
89.02317	14.0
92.04943	2.3
93.03334	1.0
94.06496	3.9
95.01259	3.4
96.95878	0.8
99.00754	3.3
101.02321	25.4
104.04922	2.9
105.03328	2.0
106.06512	10.1
108.04440	1.7
113.02316	10.4
119.03406	6.0
120.04457	5.0
121.05206	0.8
122.06007	13.6
122.93664	0.9
123.03163	2.0
124.07569	1.2
127.03867	4.0
131.03528	1.7
132.04442	5.1
138.05504	19.9
143.03377	1.6
148.03851	1.3
150.05492	1.4
153.09120	1.6
155.10643	1.4
159.02946	1.7
161.04425	5.0
171.10152	4.3
177.61583	0.9
179.05473	1.3
183.10176	1.1
188.07097	1.0
189.07874	1.3
197.11737	1.6
198.34360	1.0
201.11293	4.1
213.06696	1.1
215.11858	1.8
241.09778	3.1
271.10815	1.3
284.63406	0.8
289.11926	100.0
289.16901	3.4
290.12369	7.4
291.14801	0.9
333.10907	6.8
333.15485	57.9
334.11691	1.6
334.15924	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	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19784	0.4
64.01785	0.5
71.01257	0.4
71.16592	1.0
78.03355	1.2
92.04923	2.8
94.02859	0.5
94.06490	4.6
95.04900	0.4
103.04141	0.7
104.04929	3.3
105.03343	2.6
106.06494	15.4
107.03662	0.9
108.04423	1.9
120.04424	5.8
121.05209	1.7
122.02357	0.7
122.06001	16.4
123.03142	2.7
123.06291	0.6
124.07588	1.2
131.03593	0.5
132.04440	8.1
135.03119	0.8
138.05498	25.0
138.42030	0.4
139.05814	1.1
142.65414	0.4
148.03915	1.3
150.05495	3.3
152.07083	0.6
152.90324	0.5
161.99550	0.4
166.05013	0.8
171.10094	0.5
174.12766	0.7
177.96870	0.4
180.89487	0.4
188.10568	0.5
189.07826	1.4
198.07916	0.5
202.84769	0.5
203.09383	0.5
209.11751	0.9
215.11816	1.7
217.07368	1.8
226.07431	0.6
228.08827	0.6
229.09727	0.8
231.09013	0.5
231.11217	1.1
241.09785	2.9
242.10507	0.5
243.11305	1.9
259.10831	0.5
271.10895	0.7
289.11920	100.0
290.12259	6.9
333.10901	6.9
333.14700	0.8
334.11166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72063	0.8
55.01751	5.2
57.03322	5.7
58.00460	2.0
59.01249	30.3
64.43356	0.8
69.03313	2.6
71.01249	100.0
71.04885	8.1
71.08099	1.2
71.08437	1.6
72.01588	0.9
72.99184	4.6
73.02816	29.5
75.00735	2.3
79.95583	0.9
83.01257	12.7
83.04911	0.9
85.02820	46.8
85.25656	0.9
87.00729	3.6
89.02312	14.6
95.01257	8.1
96.95888	1.1
97.02837	2.7
99.00754	11.8
101.02315	48.7
102.02636	1.8
113.02327	37.9
119.03378	5.9
125.02260	1.2
125.09615	1.5
127.10255	1.6
127.11165	24.0
129.01843	1.1
133.02823	1.0
143.03369	1.4
153.09134	6.7
159.02882	6.2
161.04454	13.1
168.06503	1.5
171.10172	94.1
172.10486	3.4
179.05481	1.2
191.05635	1.0
220.13356	0.9
333.06290	1.2
333.10349	1.2
333.15588	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	333.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	8.7
57.03321	5.5
58.00452	2.9
59.01250	54.7
69.03287	0.9
69.60207	5.5
71.01251	59.5
72.01591	0.8
72.99179	4.1
73.02815	21.8
74.03184	0.9
79.59807	0.7
81.42074	0.7
83.01251	16.9
85.02818	33.0
85.99965	3.4
87.00743	3.4
89.02314	13.0
95.01254	6.5
97.02853	1.5
99.00751	9.2
101.02321	62.9
102.02644	1.4
111.00763	2.2
112.01508	0.7
113.02328	21.0
114.02612	0.9
119.03399	4.6
125.02359	1.1
127.03875	2.5
129.01834	1.7
130.91110	0.8
136.07660	0.8
143.03387	2.0
153.09117	1.1
155.10805	1.0
159.02908	3.0
161.04445	10.5
162.96904	0.7
171.10178	2.4
193.91759	1.0
197.11807	1.5
273.83041	0.9
289.16763	5.2
290.10199	1.0
333.15536	100.0
334.15906	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	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	7.3
57.03322	6.0
58.00458	3.8
59.01249	77.4
68.99680	1.0
71.01251	80.4
71.58330	0.9
72.01572	1.0
72.99185	6.1
73.02816	22.3
75.00737	1.6
78.69877	0.8
83.01254	14.7
85.02824	32.3
85.99960	2.1
87.00752	3.9
89.02313	35.3
95.01261	12.2
96.12568	0.8
97.02824	1.6
97.06390	0.8
99.00749	8.6
101.02321	68.8
102.02704	1.1
105.01103	0.9
111.00759	1.1
113.02330	30.8
117.28790	0.8
119.03390	14.6
125.02322	2.1
125.09693	1.1
127.03872	8.0
131.03346	1.8
137.02296	1.5
139.20126	0.8
143.03413	4.4
153.01881	1.0
153.09084	1.6
155.10652	2.5
159.02873	3.6
161.04456	13.0
171.10193	3.8
179.05511	2.0
180.76949	1.0
207.10225	0.8
217.10831	1.0
225.11368	0.9
266.96759	0.8
273.06180	1.1
289.16611	6.9
291.14484	2.9
307.39059	0.8
333.08630	3.0
333.15546	100.0
334.15836	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	333.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29320	0.8
59.01246	48.7
59.45367	0.6
61.41056	0.7
68.10069	0.8
68.99681	1.9
71.01250	4.7
72.99197	1.3
75.00755	1.4
75.97321	0.8
78.95771	1.4
83.01212	1.0
83.04914	1.0
87.00739	1.9
89.02316	2.6
91.03886	2.5
96.95881	0.9
98.20613	2.1
101.02306	8.0
119.03381	0.9
125.09646	0.9
135.23924	0.8
136.25177	0.7
137.09601	13.4
137.10590	1.0
152.99542	0.8
153.09166	1.9
155.10669	100.0
156.10999	4.2
171.10170	32.0
171.11620	1.8
172.10579	1.0
181.08621	4.9
199.09669	22.1
200.10147	0.9
215.12831	7.3
217.10736	39.2
218.11151	2.0
229.63280	1.0
273.13416	22.4
291.14471	75.4
292.14896	4.7
333.09753	1.7
333.15616	29.9
333.18869	1.3
334.15979	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	333.2044
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
59.01237	0.5
59.98380	0.9
71.01249	18.2
71.14594	0.8
85.02821	1.5
94.59096	0.3
99.04401	0.6
113.05892	0.3
117.42490	0.3
125.09604	0.6
125.99248	3.9
140.00806	0.5
141.09067	0.4
141.98703	0.9
143.10608	0.7
150.02603	0.3
152.00838	0.4
155.10640	1.2
165.01599	9.4
165.02998	0.5
167.10672	0.6
183.99783	0.4
193.04797	2.4
193.08371	2.1
194.05496	0.6
195.09967	0.6
205.08318	0.9
207.06282	0.6
207.09999	0.5
208.07001	0.4
209.07916	0.4
212.03020	0.5
221.07886	5.8
222.08676	100.0
223.09122	6.1
236.10248	27.7
237.10583	1.3
237.22220	0.4
239.08994	0.3
254.07698	10.6
262.11853	1.7
264.98901	0.3
265.21667	1.9
268.09143	0.4
303.19504	0.7
305.20911	1.3
315.19415	0.7
333.20456	41.0
334.20676	3.3
335.20309	0.4
351.20090	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	333.2069
Annotation	Phomactin A
Peak:m/z	Relative Intensity
59.01237	0.3
67.45234	0.2
70.00533	0.8
70.00948	0.4
71.01276	0.3
73.02808	2.7
78.24435	0.2
83.04879	0.3
91.51865	0.2
159.08070	0.7
187.11174	2.0
215.10670	0.5
226.13356	0.2
241.15846	0.5
243.17531	0.4
254.16498	0.3
257.15347	0.8
259.16992	39.5
260.17328	2.9
269.19025	0.5
271.16925	0.6
285.18549	1.1
287.20117	53.8
288.20450	4.6
301.18063	2.4
303.19565	0.8
304.16797	0.5
315.19571	6.1
317.17575	2.4
331.19089	0.8
333.20663	100.0
334.21008	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	335.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.2
57.03304	0.6
58.00492	0.7
59.01250	17.6
69.03333	1.2
69.38191	2.6
69.38631	2.2
71.00885	1.0
71.01250	13.2
72.99164	1.6
73.02817	3.7
79.53809	0.5
83.01260	2.6
85.02817	5.7
87.00744	1.6
89.02312	4.6
90.09824	0.5
95.01260	1.0
99.00758	1.8
101.02322	8.9
111.00776	1.6
113.02345	4.2
119.03382	1.5
125.02366	0.5
127.11171	1.6
135.04404	1.1
155.10657	2.6
158.74025	0.6
161.04640	0.6
163.03915	0.8
173.11737	35.2
174.12048	1.5
215.12857	1.0
276.54211	0.5
317.15976	2.9
335.17099	100.0
336.17520	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	335.1862
Annotation	Dihydrorubrosterone
Peak:m/z	Relative Intensity
56.02811	1.6
57.03318	4.7
59.01251	4.5
61.57391	1.6
63.52757	1.6
71.01276	1.6
71.59306	2.7
81.03313	2.3
83.04889	1.6
93.07050	1.9
95.04048	1.7
97.06474	4.1
103.20533	1.6
107.04907	2.4
109.06507	2.4
117.36947	1.6
121.02813	10.7
121.06485	8.6
122.03638	4.7
123.04401	2.7
123.08057	17.5
125.09654	2.8
133.06500	2.3
135.08089	4.2
136.05191	20.8
137.09700	2.2
139.11162	17.6
147.08107	1.9
149.05978	5.7
151.07545	42.1
155.14256	2.3
165.09143	6.1
177.05487	1.9
179.14491	1.9
183.10204	5.2
185.11726	14.8
188.08374	5.6
192.08054	1.6
192.95853	3.0
199.11441	3.4
199.13318	66.4
200.13791	3.8
201.11267	4.5
213.11353	2.0
216.29778	1.9
218.36986	1.7
253.18117	1.8
271.17114	2.9
273.18719	6.6
281.15558	7.1
289.18091	14.9
291.16248	3.7
291.19763	6.8
299.16510	43.3
300.16840	3.6
307.19147	54.3
308.19592	4.5
310.82886	1.7
317.13843	3.9
317.17554	65.9
318.18042	3.7
335.18655	100.0
335.22357	18.4
336.08688	3.9
336.18973	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	335.2228
Annotation	PGB1
Peak:m/z	Relative Intensity
50.98050	0.4
52.68712	0.5
54.34273	0.5
57.03301	0.7
58.55963	0.5
59.01243	1.5
67.01759	1.1
69.03328	8.6
70.36316	0.5
71.01244	1.0
71.04891	4.2
71.58657	0.8
71.59016	0.5
72.51278	0.5
83.04886	0.9
95.04895	0.9
96.95914	0.7
97.06443	1.0
104.19034	0.6
107.04879	0.7
109.06463	1.3
122.35062	0.5
123.07988	0.7
125.09572	0.6
135.08051	1.5
137.09622	5.7
143.08597	0.7
149.09628	5.1
150.09940	0.5
150.36990	0.5
151.11140	1.0
161.09642	4.3
163.11162	2.2
175.11201	1.1
177.09090	0.8
179.10651	2.1
197.09814	0.9
197.11658	0.9
198.10320	0.5
203.14378	1.0
213.12717	0.8
227.14439	1.0
231.13823	1.1
243.17580	2.6
245.15497	1.0
245.19012	0.8
255.17397	0.8
263.18118	3.7
265.16086	0.6
266.16534	0.7
273.18573	0.6
281.19098	12.6
282.19308	1.4
299.20081	4.9
317.21170	1.2
335.22235	100.0
336.22546	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	336.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79389	1.5
55.01744	1.5
57.05108	1.4
59.01249	11.4
64.05285	1.4
67.01755	3.5
68.01282	6.1
68.99675	2.2
69.03323	100.0
71.01235	2.3
71.58936	1.7
73.02794	2.4
81.02064	2.0
81.07174	1.4
83.01264	2.3
84.04425	18.8
85.02837	3.3
93.03314	3.9
94.02884	1.7
95.04912	2.5
96.95895	1.5
100.03905	6.3
102.05510	3.7
105.10170	1.7
108.04393	4.0
108.70522	1.4
110.05979	10.8
111.04401	1.5
118.06519	3.6
119.04890	1.8
120.04423	1.6
123.04332	1.6
124.03954	1.7
125.09604	2.2
126.56208	1.4
128.02484	3.1
128.03423	40.8
131.03653	6.6
131.04881	2.8
136.03951	1.4
137.05954	4.0
144.20313	1.3
146.06018	16.6
147.04439	4.4
149.05977	2.8
151.58022	1.5
154.05066	6.7
163.06274	2.8
167.07048	2.2
168.06563	2.3
173.04559	1.6
174.05489	12.8
175.03917	2.6
175.07695	1.4
178.08635	43.8
179.07042	6.3
186.07613	6.0
187.09596	1.9
190.08687	1.8
191.05501	4.1
204.10159	2.5
206.08162	11.9
208.09734	22.0
216.10306	2.9
222.07635	9.1
227.09941	1.8
248.09233	2.2
248.12845	5.7
260.09326	3.8
292.11890	13.4
336.10861	57.5
336.14923	2.8
336.18491	2.6
337.07504	1.7
337.11298	2.9
337.16788	6.6
337.20126	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	336.1087
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
55.01751	7.6
57.03310	4.5
57.46704	1.5
58.00454	3.6
59.00949	2.2
59.01248	45.0
69.03309	1.7
69.40915	4.1
69.41336	9.5
71.01250	46.8
72.99188	3.7
73.02814	20.6
83.01260	17.8
83.45950	1.4
85.02827	28.2
87.00749	4.7
89.02293	9.8
93.49349	1.4
95.01254	2.3
95.26232	1.5
96.95960	1.5
97.02843	1.5
99.00768	9.5
101.02320	86.9
111.00783	3.2
113.02322	18.1
119.03382	4.3
128.04979	2.4
129.01881	1.8
130.06511	54.7
131.03377	2.2
132.36948	1.6
142.06490	4.4
143.03455	3.4
144.08020	1.4
146.32625	1.2
155.89508	1.5
159.83092	1.3
161.04449	7.7
172.07549	8.3
174.05464	5.1
188.07152	1.7
191.05571	8.2
196.81281	1.5
200.07091	15.2
202.08656	2.1
214.08745	2.3
266.23331	1.5
292.11887	100.0
293.12152	5.9
331.45932	1.5
336.10818	17.3
337.15088	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	337.0775
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01734	1.0
57.03321	0.9
59.01249	8.3
66.10702	0.7
68.99683	3.3
69.03326	0.9
69.56094	5.7
71.01254	11.4
72.99170	2.6
73.02817	2.3
75.00739	2.1
77.01658	0.7
78.95776	4.9
81.03307	1.0
81.49667	0.7
83.01259	2.4
85.02817	10.1
87.00749	7.7
89.02315	3.8
91.28344	0.7
93.03312	4.4
95.01232	1.1
96.99238	0.7
97.02789	1.3
99.00746	7.0
101.02311	4.5
109.02747	0.7
110.98392	2.5
111.00744	3.4
111.01880	32.2
112.02125	0.7
113.02316	9.5
113.99461	18.7
115.00261	8.6
119.03374	0.8
125.02332	0.8
127.00257	6.4
129.01805	3.3
137.02347	2.1
137.03423	0.8
139.00276	2.6
139.03886	1.4
145.93121	0.7
157.01349	8.6
161.04433	1.0
169.01303	2.2
171.34843	0.7
173.04433	1.4
174.01622	19.7
175.02409	6.7
179.05464	1.1
191.05606	1.3
200.08537	0.8
225.01595	1.8
226.54698	0.9
277.05603	19.9
277.08652	1.2
337.07736	100.0
338.08109	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	337.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	5.3
59.23267	0.8
59.26637	0.8
68.99648	1.0
69.91447	3.5
69.91856	1.6
71.01253	6.6
73.02834	2.1
73.70475	0.9
78.95781	7.0
81.04603	0.8
83.01260	1.6
85.02821	5.6
87.00745	2.4
89.02300	3.0
98.19824	0.9
99.00748	3.4
101.02312	4.7
110.98416	6.4
111.01880	100.0
112.02245	1.4
113.02322	6.0
113.99465	9.0
115.00264	5.1
117.80852	0.8
119.03380	1.7
127.00275	2.0
131.03375	1.0
157.01299	2.7
161.04425	1.2
174.01590	7.1
175.02367	4.6
192.98932	1.3
225.01582	4.8
242.09116	1.2
277.05609	10.8
282.22714	0.9
306.11035	1.0
337.04385	4.3
337.07767	60.3
337.11090	2.9
338.08084	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	337.0928
Annotation	4-Methylumbelliferyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.56679	0.2
57.03313	0.4
59.01244	1.1
60.99154	0.4
67.01763	0.7
69.03327	0.4
69.36865	2.1
71.01263	0.7
73.02803	0.4
81.03318	0.3
83.04895	0.4
85.02818	6.1
85.03339	0.3
87.00739	1.8
93.03339	6.3
99.04415	0.2
109.02856	0.5
111.04395	1.8
115.16189	0.2
117.03342	0.2
119.04916	2.1
127.03909	2.0
145.02856	0.8
155.03488	0.2
163.03905	2.5
171.02902	0.5
173.04443	2.1
178.50731	0.2
191.05531	100.0
192.05876	3.6
337.09094	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	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01249	3.9
69.74373	4.5
71.01262	2.4
79.16216	0.7
83.04886	0.7
85.02816	4.7
87.00752	2.2
91.86901	0.7
93.03323	5.5
101.02323	1.6
111.04404	2.0
113.02306	1.2
119.04913	54.5
120.05244	1.9
130.70239	0.8
132.04457	2.1
145.02867	0.9
155.03395	2.5
163.03914	100.0
164.04213	3.4
173.04474	4.6
176.03442	2.3
191.05542	44.5
192.05878	1.6
259.12024	0.8
309.24551	0.9
335.56506	0.9
337.08908	5.3
337.15027	3.0
338.09137	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	337.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.6
57.42652	0.6
58.00467	3.5
58.41928	0.6
59.01249	66.0
65.67935	0.6
67.01759	2.0
69.03302	0.6
69.60651	3.3
69.61057	1.2
71.01250	40.4
72.01582	0.7
72.99170	5.8
73.02828	1.6
75.00732	2.6
83.01246	2.6
85.02815	17.0
86.12162	0.7
87.00738	4.4
89.02312	37.3
90.02684	0.8
91.02811	0.6
92.72956	0.6
93.03346	8.1
94.58140	0.6
95.01250	2.9
95.60788	0.7
99.04423	1.0
101.02317	25.2
111.00764	4.6
111.04402	1.8
113.02332	15.9
115.00219	0.7
115.26711	0.6
119.03383	17.9
119.04906	2.5
120.03712	0.9
122.25868	0.6
127.03931	1.8
131.03430	1.0
133.01265	0.7
142.50893	0.5
143.03430	1.7
145.02879	1.4
149.04417	0.9
154.99791	0.8
161.04468	1.0
163.03899	2.1
167.41661	0.6
173.00900	1.7
173.04491	2.9
175.09669	1.7
179.05478	2.1
191.05540	100.0
192.05972	3.1
271.61148	0.7
272.24814	0.7
337.08743	2.1
337.15039	70.4
338.15509	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	337.1657
Annotation	18-Cooh-19,20-ltb4
Peak:m/z	Relative Intensity
57.03307	10.3
59.01247	23.7
62.35627	2.6
65.00189	5.9
67.01760	5.6
69.03310	7.4
70.42272	2.4
70.72916	9.2
70.73285	2.5
71.01248	4.4
71.04898	17.8
71.35945	2.7
73.02813	5.2
80.02541	5.3
81.03326	27.4
83.04893	16.0
85.02809	12.1
85.06482	6.1
86.12602	2.3
87.00751	6.5
93.03338	28.3
95.01252	10.7
95.04906	12.8
96.95875	3.3
97.02827	11.9
97.06454	9.3
99.04396	3.4
107.04909	13.0
108.02054	7.0
109.02836	7.9
109.06476	31.2
110.03567	2.7
111.04400	37.7
113.05964	8.7
121.02762	3.0
121.06467	13.3
122.03617	2.9
123.04430	5.0
123.08028	29.1
125.05965	5.5
125.09608	45.5
128.87675	7.9
130.58591	2.4
135.04410	20.0
136.05150	3.3
137.05975	24.5
137.09558	2.6
138.03113	4.9
139.07507	2.9
141.09160	4.8
149.05981	44.2
149.09686	3.4
151.03894	2.9
151.07416	3.1
153.05557	2.8
160.05200	2.5
161.09612	2.9
163.68399	2.3
165.05415	5.8
167.07054	28.6
171.10158	8.7
173.04517	4.2
175.03970	2.4
176.04004	3.6
177.12782	31.1
179.10706	6.5
182.16100	3.0
185.11758	3.3
187.07996	4.7
187.09677	41.1
191.05540	69.7
192.05855	4.5
195.13777	7.5
199.04042	3.2
199.09662	14.0
201.11237	21.0
203.10757	2.8
211.07286	2.7
219.13966	3.5
221.11783	25.3
223.09773	7.6
231.17409	4.0
235.13351	3.5
237.14940	6.7
239.10396	5.6
239.12836	100.0
240.13065	4.0
245.11774	4.7
263.12903	13.3
265.10831	9.7
266.05756	3.0
273.14859	3.5
275.16467	9.1
277.21567	9.4
278.47443	2.4
281.13940	7.0
293.17624	23.8
301.14441	19.3
319.15448	43.9
328.23380	2.4
336.98712	5.4
337.10828	4.8
337.16437	56.1
337.20236	4.5
337.23373	14.1
338.16724	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	337.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66134	3.0
57.03308	3.3
59.01233	17.3
69.03349	3.5
69.66418	20.1
71.01261	6.4
71.04884	25.1
73.02813	6.0
78.01910	2.7
81.03330	5.6
83.04902	13.9
85.02821	5.9
85.94803	3.0
90.11920	3.0
93.03317	18.9
95.01266	9.1
96.95879	5.6
97.02836	7.6
97.06467	8.6
98.19856	4.1
107.04904	7.6
108.02078	9.1
108.21041	3.1
109.02831	6.9
109.06484	10.0
111.00736	3.7
111.04379	52.9
121.06409	4.8
122.03636	7.5
123.04440	3.4
123.08028	29.0
124.01565	6.7
125.09602	59.1
135.04433	6.4
137.02289	19.1
137.05963	28.5
138.03114	10.9
149.05971	38.7
151.03896	5.9
153.05466	3.7
163.03883	3.4
163.11183	3.6
167.07016	46.9
171.10245	6.3
173.04431	5.0
177.12793	6.1
185.11850	5.2
187.09669	47.9
191.05490	18.5
194.05751	29.7
199.09692	6.8
201.11267	7.9
203.10806	5.9
207.10213	4.1
217.12270	5.9
219.10162	3.9
221.11797	8.3
231.17351	5.4
237.11234	5.4
237.14882	19.2
239.12785	5.2
245.11543	3.7
247.09705	3.9
251.16527	3.8
263.12607	5.4
265.10757	27.7
265.18118	6.7
274.80603	3.2
275.16412	20.2
283.13254	5.9
289.79477	3.5
293.17548	40.3
301.14441	26.5
302.15054	4.7
314.90842	3.7
319.15463	41.8
337.12558	6.5
337.16498	100.0
337.20349	5.3
338.16751	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	337.2383
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
57.03311	6.9
58.44152	2.2
59.01247	13.9
68.56398	2.0
71.00884	3.2
71.01253	42.2
71.59053	3.4
72.02030	13.9
72.82298	2.3
73.02814	15.1
73.97004	1.7
82.10020	1.6
85.02814	4.0
87.04385	48.9
96.95866	2.9
99.04375	6.3
102.19563	1.8
109.06432	3.6
111.08047	5.3
119.08525	2.3
123.00787	2.6
123.08002	2.1
125.09596	4.2
134.68938	2.1
137.09587	13.5
143.09291	2.1
155.10680	87.4
156.10999	3.7
193.15851	6.9
194.95518	2.4
209.15393	4.7
275.23843	11.1
284.22943	2.2
291.23129	2.5
319.19199	3.2
337.20129	16.8
337.23801	100.0
338.24249	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	339.0719
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.19039	0.2
59.01246	0.2
69.64040	0.8
69.64464	0.4
79.47488	0.2
84.60195	0.2
85.68410	0.2
93.03338	1.0
95.04898	0.3
98.20428	0.3
105.03342	0.8
108.02039	1.4
120.02035	0.5
121.02852	1.1
123.04388	1.3
132.02046	0.3
133.02826	2.0
148.01579	1.1
149.02359	1.6
176.01065	9.8
177.01840	100.0
178.02173	4.4
186.06610	0.2
193.05988	0.4
234.48105	0.2
250.64394	0.2
286.61053	0.2
296.43884	0.2
339.07169	25.3
340.07458	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	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16462	0.2
56.33805	0.2
59.01246	0.7
65.16086	0.2
66.34749	0.3
71.13374	0.6
71.13729	0.2
72.58992	0.3
89.03845	1.6
93.03310	0.3
94.63108	0.2
101.45489	0.3
104.02559	0.5
105.03334	3.3
121.99484	0.2
133.02844	7.4
148.01572	0.6
149.02342	0.9
176.01045	1.4
177.01845	100.0
178.02193	4.4
294.24335	0.3
339.07175	14.5
340.07425	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	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.7
69.94153	0.9
69.94572	0.4
75.00764	0.4
75.72570	0.2
78.55316	0.2
89.35715	0.2
93.03323	1.1
105.03333	0.9
119.05228	0.6
121.02835	2.2
123.04423	1.8
123.08152	0.2
132.02098	0.5
133.02858	2.8
149.02342	2.4
163.03889	0.3
177.01840	100.0
178.02190	3.9
339.07086	1.3
339.13083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.5
55.32831	1.4
57.03313	7.0
59.01261	8.5
60.95132	1.4
63.41138	1.5
65.03847	1.5
67.01733	1.7
69.03313	6.0
69.27580	8.0
69.28004	8.5
71.01237	1.8
71.04888	24.9
73.02811	6.9
80.02544	1.9
81.03320	12.7
83.04893	14.8
85.02816	5.6
93.03362	2.7
95.01252	2.5
95.04913	7.2
97.02814	12.4
97.06456	19.6
104.86900	1.5
105.77493	1.4
109.02829	1.9
109.06477	6.7
110.03622	2.0
111.04393	48.5
111.08018	7.1
113.05933	4.1
117.02968	1.4
119.81973	1.4
121.02794	2.5
121.06464	9.5
122.03617	2.8
123.08051	15.5
125.05981	3.0
125.09606	100.0
126.09940	2.2
127.11155	8.0
135.07948	1.9
136.10281	1.5
137.05974	11.0
137.09595	1.7
139.07542	4.4
139.11160	3.2
149.05994	7.3
151.07544	5.9
151.11154	3.7
155.07065	2.8
155.10698	2.2
157.08592	2.3
163.11209	2.1
165.09178	2.5
167.07045	25.4
169.08591	5.5
171.10170	48.2
172.10512	3.1
177.01703	1.7
185.11757	8.3
187.09673	94.3
188.09999	3.4
191.05562	2.1
197.11787	4.1
199.09676	7.2
201.11235	51.0
202.11513	1.7
205.12132	1.9
209.11845	1.7
213.11186	2.2
215.12830	3.8
223.13397	4.9
225.11302	3.0
233.19028	3.1
249.11426	2.0
250.12132	1.9
259.17090	3.1
265.14459	5.2
267.12427	3.1
277.18073	37.3
278.18390	2.4
285.14975	4.2
293.17410	2.0
295.19098	8.7
303.16043	13.3
321.17068	23.8
322.17471	2.1
339.13461	3.6
339.18030	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	339.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31195	1.8
55.01747	2.0
57.03325	8.8
57.03563	2.1
59.01242	8.7
69.03315	5.6
69.83411	1.8
71.01250	2.7
71.04884	34.1
71.05247	3.4
71.19410	4.2
73.02824	2.9
75.38187	1.6
76.74156	1.9
78.63644	1.7
80.02529	1.9
81.03320	20.5
83.01293	2.5
83.04907	5.4
85.02819	2.0
93.03345	4.3
93.13297	1.6
95.04897	16.6
96.30423	1.7
97.02824	3.3
97.06432	10.0
99.00688	1.8
107.04912	3.8
108.02074	3.3
109.02830	3.2
109.06480	8.5
110.03623	7.9
111.04395	22.1
113.05980	2.9
121.02782	2.7
121.06474	6.6
122.03625	5.3
123.04377	6.1
123.08041	20.1
125.05991	5.1
125.09599	69.1
126.09935	2.1
127.11153	3.6
133.06474	7.8
137.05997	11.6
137.55354	1.9
139.07549	7.7
141.01805	2.9
146.36320	1.7
148.78551	1.9
149.05978	7.6
151.07535	33.1
151.11073	1.6
155.10677	2.6
163.11086	2.2
167.07048	43.7
168.07364	1.8
169.08583	2.6
171.10184	25.6
174.06729	4.1
181.12073	2.0
185.11772	3.7
187.09621	10.9
187.19661	1.9
191.05412	3.5
197.11682	4.2
199.09669	6.2
199.13316	2.3
201.11240	21.3
205.12283	3.3
209.11707	3.0
213.11290	16.4
215.12811	100.0
216.13200	5.2
223.13304	2.1
227.12888	3.1
229.10698	4.2
231.10187	1.8
237.15102	3.0
247.13445	2.9
249.11293	17.3
249.14973	2.5
250.11946	3.9
259.17014	2.1
265.14322	12.1
267.13431	1.9
275.16397	1.9
277.18045	6.6
279.16129	2.6
285.14948	37.6
295.19107	4.4
303.15982	87.8
304.16400	4.5
321.17010	44.1
322.17426	5.5
337.31732	1.7
338.60715	2.3
339.10745	3.6
339.18045	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	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42839	1.5
55.01749	2.1
57.03311	6.0
59.01245	6.4
65.03809	2.2
69.03326	4.9
71.04884	22.7
72.51900	1.7
73.02834	4.3
73.73974	1.7
81.03316	10.6
83.04897	11.1
85.02791	1.7
93.03358	3.8
93.07010	1.8
95.04894	7.2
97.02843	9.1
97.06447	17.0
107.04893	1.8
108.02084	2.1
109.06469	4.6
111.04395	44.7
111.08064	9.3
113.05959	2.8
121.06477	7.9
123.04321	2.2
123.08063	16.5
125.05997	2.2
125.09606	100.0
126.09951	3.3
127.11166	6.0
137.06006	10.7
137.09663	2.2
139.07520	4.2
146.35272	1.7
149.05980	8.9
151.07507	6.9
151.11205	3.9
155.10657	2.9
157.08653	2.8
165.09122	2.4
167.07063	27.8
169.08612	6.0
171.10179	47.7
172.10533	1.8
174.06651	1.7
179.14238	2.4
185.11659	9.4
187.09676	92.7
188.10002	3.9
191.05573	2.8
195.60472	1.9
199.09682	6.7
199.13263	2.1
201.11250	52.8
202.11551	3.2
221.11758	6.7
223.13324	5.3
233.19020	4.1
253.11595	1.8
259.16885	2.1
265.14499	4.4
267.12421	3.7
277.18094	37.7
278.18375	2.1
285.15024	4.2
295.19153	5.0
303.16037	16.5
304.16364	2.7
321.17068	22.6
339.18085	14.1
340.18210	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	339.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35902	0.3
57.62370	0.3
59.01251	1.6
69.58235	0.3
71.01226	0.4
78.86324	0.3
83.04890	0.3
100.67085	0.2
101.33341	0.3
112.01874	0.2
121.02803	1.2
125.09601	0.7
127.11174	1.1
137.09654	2.0
139.07530	5.8
141.67827	0.3
147.04398	1.0
153.09172	0.4
155.10672	23.8
156.10959	0.9
171.10167	28.0
172.10541	1.2
181.08594	0.4
183.01154	0.6
193.10112	0.5
199.09691	4.8
217.10738	100.0
218.11060	4.7
229.17865	0.3
251.10815	0.3
295.09726	0.6
307.19193	0.4
321.20578	0.5
339.08679	1.1
339.16476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2174
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
53.38908	1.6
57.03321	4.8
59.01246	10.5
59.01505	1.8
64.73848	1.8
69.38026	16.2
71.01279	1.8
81.03339	3.2
85.02821	2.8
89.86940	1.9
95.04910	3.3
97.06470	2.3
98.03630	1.9
101.02347	1.6
113.09599	2.3
123.04388	4.1
123.08020	7.6
125.09628	11.0
126.62837	1.6
137.09641	4.1
137.46976	1.8
139.11168	6.0
141.09175	1.7
149.05965	2.3
149.09590	3.7
151.11232	9.0
153.09064	9.2
153.12743	1.8
163.11172	5.2
165.12721	3.5
167.10687	7.7
169.12270	4.5
171.10164	1.6
181.12297	1.9
183.01125	3.7
183.10054	1.8
191.10747	3.5
195.10228	2.2
199.13362	9.9
201.11116	2.0
209.11787	11.9
211.09679	3.3
241.14272	3.7
245.19037	20.6
263.20175	5.2
289.18063	100.0
290.18414	7.3
307.15604	3.8
307.19110	58.7
308.19455	5.5
321.20691	6.9
324.19394	66.0
325.19849	5.1
339.22006	74.5
340.21994	5.5
347.29056	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.6
59.01249	9.3
61.81048	1.3
62.08747	1.4
65.63007	1.2
69.03327	3.6
69.03696	1.2
71.01257	1.9
71.04886	39.3
71.58816	2.3
76.01909	1.2
78.95744	1.6
81.03342	3.2
83.01268	1.7
83.04887	2.6
93.03334	4.5
93.06982	4.0
95.04911	2.8
96.10881	1.2
97.02818	3.1
97.06457	3.8
99.04435	1.2
107.04874	1.6
109.06474	15.2
111.04359	2.5
111.08054	2.4
113.05959	1.6
121.02854	1.5
121.06457	1.5
123.04375	1.5
123.08041	4.6
125.09614	6.9
127.07483	1.4
127.11171	3.5
127.89584	1.4
130.31178	1.5
134.06003	1.5
135.04402	3.0
135.08080	2.3
136.05170	3.8
137.05951	9.4
137.09612	2.4
139.11140	7.1
151.07521	3.2
151.11154	3.9
152.08351	1.5
152.99504	2.2
153.09117	2.0
167.07031	1.6
167.10634	6.3
171.10181	100.0
172.10507	4.4
173.04445	5.2
173.44740	1.4
183.10251	3.1
185.11758	3.7
187.09680	2.6
191.05519	2.6
197.11806	2.1
201.11227	6.5
202.27104	1.3
211.13217	1.7
213.11279	1.5
225.14832	1.9
227.12778	1.8
229.10808	2.5
233.15489	2.6
235.13368	1.9
237.14874	2.8
249.14957	4.1
251.16591	2.6
259.17041	5.9
261.14914	7.1
263.12811	2.0
265.17969	2.5
275.16550	1.9
277.18130	6.8
279.15994	8.0
285.15039	3.4
289.18103	3.1
293.17615	3.3
303.15997	13.7
304.16586	1.6
306.18402	4.6
321.17007	40.3
321.20749	43.1
322.17401	3.4
322.20963	3.8
339.18039	13.4
339.21851	3.8
340.22171	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	339.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.3
59.01244	5.1
69.03297	0.7
69.80081	0.6
69.86182	2.3
69.86593	1.0
80.02548	1.6
81.03333	1.5
83.04899	1.4
85.02839	0.6
95.04926	1.5
97.02837	1.5
97.06459	1.4
106.04128	1.2
107.04922	2.6
109.02829	0.8
109.06465	1.6
110.03637	2.2
111.08053	2.0
113.09608	0.9
121.06475	2.8
123.04404	7.8
123.08045	15.9
124.08385	0.7
125.09622	2.6
135.04518	0.9
137.05948	1.1
137.09612	2.0
139.11163	11.3
142.02599	4.7
149.05980	2.1
149.09625	2.2
151.07562	1.3
151.11194	6.5
153.09103	1.7
153.12706	1.0
155.10664	0.8
155.14287	3.6
159.08020	0.8
163.11174	1.3
165.12729	1.0
171.10185	2.1
177.12801	2.2
183.01135	2.9
183.10184	2.0
185.11786	1.5
188.11946	0.8
191.14314	1.5
191.44176	0.7
193.12427	0.6
199.13307	31.2
200.13635	1.6
201.11227	1.6
209.11742	1.7
213.11180	3.5
217.15953	1.3
221.11743	2.5
233.15378	1.5
238.11978	1.1
239.12839	1.9
245.11966	0.6
245.19077	16.7
246.19452	0.9
247.17044	1.7
261.18607	1.0
263.20068	1.2
271.17087	2.6
273.14886	0.8
287.16455	1.2
289.18069	100.0
290.18436	6.7
307.19119	59.0
308.19449	4.2
321.17139	1.3
321.20688	3.3
323.18539	1.1
324.19446	11.5
325.19904	0.8
339.16782	2.7
339.21722	57.1
340.22101	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
68.49356	0.4
71.35690	1.2
79.15363	0.4
147.07954	0.5
163.11188	100.0
164.11502	4.1
183.01216	0.7
339.23264	59.8
340.23578	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	340.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16203	0.7
50.23141	0.9
55.01756	1.0
57.03309	1.4
59.01249	7.3
69.03316	2.5
71.01250	5.1
71.04892	6.5
71.52764	1.6
73.02825	2.6
81.03326	11.1
83.04890	72.6
84.02041	0.8
84.05240	1.5
85.02804	1.4
85.47094	0.8
87.00752	1.0
89.02312	6.0
93.03323	1.2
95.04873	1.4
97.02783	1.0
97.06450	1.7
99.08047	2.0
101.02304	2.7
109.06472	2.4
111.04402	0.9
111.08077	1.0
113.02316	2.0
113.09612	9.9
114.09119	3.2
115.07526	22.7
119.03387	1.9
121.06504	1.7
123.08036	1.1
125.09614	5.5
126.09936	1.6
127.03897	6.8
127.07455	1.1
127.11177	1.0
128.10696	3.1
135.04378	0.9
135.08014	1.4
137.02403	0.9
137.05959	0.9
137.09612	3.5
138.09119	1.6
139.07541	65.0
139.11137	2.1
140.07869	1.8
140.10660	1.1
143.03384	1.0
143.07014	1.3
145.04915	1.7
151.07640	1.3
155.10683	1.7
156.10202	32.9
157.08604	100.0
158.08940	3.5
158.11768	30.1
159.12074	1.3
161.04402	1.0
171.10170	3.8
175.86906	1.0
179.05522	2.4
180.13860	2.9
181.08687	1.6
181.12263	13.4
183.10176	2.0
185.00905	1.2
185.28740	0.8
186.11285	1.1
187.09789	1.0
191.05534	1.6
199.09680	74.6
199.13402	3.3
200.10059	2.9
201.11345	4.3
204.06989	0.9
206.11896	1.1
213.11285	2.0
216.13062	1.0
218.67641	0.8
224.12863	9.3
225.11333	1.3
241.12390	1.0
242.13913	12.7
243.12306	1.0
256.07623	1.3
265.14420	3.3
287.16641	0.9
304.16266	2.6
305.17673	3.1
322.17334	3.2
323.18527	1.8
340.21301	48.9
341.10599	1.4
341.14322	1.8
341.19086	5.1
363.16415	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	341.0877
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.06413	2.6
56.16418	2.7
57.03314	7.7
59.01249	30.1
59.02266	2.3
66.79058	2.5
69.50913	21.5
71.01248	31.3
71.78623	2.3
72.99155	3.7
73.93701	2.4
75.00742	41.5
85.02815	15.5
87.00742	13.2
89.02304	27.5
93.03352	3.1
99.00744	5.3
101.02338	14.1
107.64808	2.4
108.61236	2.6
111.00784	3.7
113.02317	6.2
119.03477	4.1
119.04917	38.0
121.02769	3.0
124.01549	4.8
129.01816	21.6
134.03613	7.1
134.94173	2.8
135.04411	43.4
141.01820	2.6
145.02820	9.8
152.01062	18.5
159.02873	8.3
161.04608	3.2
161.05864	5.1
162.05579	2.9
163.03928	42.0
177.03960	61.5
179.03429	9.5
179.05536	9.1
179.20575	3.2
180.00514	6.9
182.02155	3.2
185.07498	2.3
193.04945	4.9
194.04785	2.9
195.05022	100.0
196.05400	4.3
196.51183	2.6
315.48480	2.9
323.07773	3.3
326.06403	7.3
341.08585	55.7
342.08990	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	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.0
69.35591	0.5
69.36004	1.8
71.01259	2.0
75.00752	0.9
85.02829	0.7
87.00754	0.4
89.02313	1.3
91.05415	0.6
93.03313	0.3
94.65657	0.2
101.02327	1.0
107.04897	1.6
113.02320	0.8
119.03391	0.7
119.04931	0.9
123.04419	0.3
129.01860	0.4
134.03641	2.0
135.04407	100.0
136.04739	3.2
150.06691	0.6
151.03891	0.7
162.05513	0.9
163.03894	2.2
178.06233	0.6
179.03409	20.6
179.06966	0.6
180.03705	0.6
195.05000	3.0
257.81171	0.3
297.09750	1.7
326.06247	0.3
341.08636	9.6
342.08353	0.4
342.12253	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	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.9
59.01246	5.5
60.97406	0.5
69.26525	3.5
69.26930	0.4
71.01247	5.0
72.97400	6.7
72.99174	0.7
75.00741	3.7
85.02815	1.9
87.00764	1.4
89.02316	3.8
91.05397	0.4
93.03352	0.4
96.96839	0.4
98.20557	0.7
99.00741	0.9
101.02319	2.1
107.04870	0.8
113.02337	1.3
117.03376	0.5
119.03376	1.1
119.04897	2.9
129.01814	1.5
133.02792	0.6
134.03625	3.1
134.97513	2.1
135.04404	100.0
136.04729	3.3
137.02313	0.6
137.09569	0.8
143.03462	0.5
145.02832	0.8
156.00356	0.4
159.02855	0.5
161.04485	0.5
161.06073	0.6
163.03947	3.5
175.03784	0.4
177.03944	5.6
177.05351	0.7
178.02634	0.5
179.03407	92.9
180.03714	3.4
195.05034	8.7
245.43605	0.3
261.09296	0.4
279.10526	0.9
341.08441	11.7
342.09103	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	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.47417	0.4
55.01753	1.3
57.03320	2.1
58.00470	4.2
59.01248	100.0
60.01585	1.3
69.03333	0.9
70.43678	1.9
71.01249	82.0
72.01583	1.0
72.99178	4.6
73.02812	3.1
75.00756	1.0
83.01250	2.8
85.02819	13.6
86.60382	0.5
87.00742	8.5
89.02312	97.3
90.02666	1.4
95.01260	4.9
97.02826	1.3
99.00771	1.9
101.02319	42.5
107.03361	0.7
107.04907	0.7
113.02325	35.6
115.03885	0.6
119.03383	35.7
120.03749	0.7
122.95578	0.4
125.02348	1.9
129.01756	0.6
131.03381	4.7
133.01343	0.5
135.04410	11.2
141.01836	0.5
143.03397	10.5
149.04482	3.2
149.33826	0.5
153.56743	0.4
159.02930	0.5
161.04462	17.2
161.05827	0.9
162.04735	0.7
162.24687	0.5
177.16936	0.4
179.03471	4.1
179.05525	45.6
180.05905	1.5
250.92908	0.5
281.09003	0.5
325.99042	0.5
341.10889	49.6
342.11099	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	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
57.03288	4.1
58.00458	6.4
59.01252	100.0
69.03357	3.7
71.01257	77.1
71.57957	5.1
72.99180	8.7
73.02824	4.9
83.01286	5.3
85.02826	18.9
87.00743	20.3
87.41664	3.6
89.02318	69.7
94.92372	4.2
95.01268	3.9
96.55708	3.6
99.00763	6.1
101.02319	27.6
113.02333	23.1
119.03378	17.5
125.02351	5.4
131.03445	3.7
143.03407	5.6
146.44707	3.1
148.94977	5.1
161.04471	18.5
173.81537	3.4
179.05537	42.9
190.95894	4.0
212.12988	3.1
237.73961	3.2
263.26797	3.1
267.07220	3.3
341.10831	47.6
342.11472	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	341.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08064	1.4
57.03318	3.2
58.00450	2.2
58.59679	1.3
59.01245	48.0
61.35036	1.2
69.80622	4.7
69.81038	3.0
71.01248	42.2
72.99164	2.5
73.02821	2.9
80.02531	2.8
80.39465	1.2
83.04878	2.7
85.02831	5.5
87.00748	1.8
89.02313	38.2
95.01271	1.5
97.02831	2.8
97.06448	3.3
98.20541	1.7
101.02316	18.6
106.04081	2.4
109.06451	5.4
111.08012	2.0
113.02332	13.0
115.87388	1.4
119.03384	12.0
121.06484	22.6
123.08047	1.9
125.09594	7.5
127.11170	2.6
131.03398	2.6
135.08031	1.4
137.09601	2.7
139.11182	13.5
143.03400	3.5
143.04965	1.3
149.09633	1.2
153.09100	2.4
155.10669	5.3
161.04462	4.2
163.11188	2.2
165.09113	1.6
171.04355	2.5
171.10158	17.3
177.12845	1.5
179.05542	14.5
183.10199	6.4
187.09584	1.5
197.11737	1.5
199.09689	7.2
200.10461	4.5
201.11259	10.6
207.10217	3.9
211.13342	3.8
212.45222	1.6
213.11253	4.9
215.12814	1.8
221.11714	4.3
227.12807	1.9
247.20695	2.8
265.21646	2.7
269.06918	1.4
285.44604	1.5
287.16559	1.9
291.19565	10.2
305.17554	21.0
306.17920	1.9
309.20676	48.2
310.21231	2.8
341.10886	17.1
341.23303	100.0
342.23566	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	341.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08064	1.4
57.03318	3.2
58.00450	2.2
58.59679	1.3
59.01245	48.0
61.35036	1.2
69.80622	4.7
69.81038	3.0
71.01248	42.2
72.99164	2.5
73.02821	2.9
80.02531	2.8
80.39465	1.2
83.04878	2.7
85.02831	5.5
87.00748	1.8
89.02313	38.2
95.01271	1.5
97.02831	2.8
97.06448	3.3
98.20541	1.7
101.02316	18.6
106.04081	2.4
109.06451	5.4
111.08012	2.0
113.02332	13.0
115.87388	1.4
119.03384	12.0
121.06484	22.6
123.08047	1.9
125.09594	7.5
127.11170	2.6
131.03398	2.6
135.08031	1.4
137.09601	2.7
139.11182	13.5
143.03400	3.5
143.04965	1.3
149.09633	1.2
153.09100	2.4
155.10669	5.3
161.04462	4.2
163.11188	2.2
165.09113	1.6
171.04355	2.5
171.10158	17.3
177.12845	1.5
179.05542	14.5
183.10199	6.4
187.09584	1.5
197.11737	1.5
199.09689	7.2
200.10461	4.5
201.11259	10.6
207.10217	3.9
211.13342	3.8
212.45222	1.6
213.11253	4.9
215.12814	1.8
221.11714	4.3
227.12807	1.9
247.20695	2.8
265.21646	2.7
269.06918	1.4
285.44604	1.5
287.16559	1.9
291.19565	10.2
305.17554	21.0
306.17920	1.9
309.20676	48.2
310.21231	2.8
341.10886	17.1
341.23303	100.0
342.23566	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90785	0.2
55.01736	0.2
58.00473	0.3
59.01246	8.9
69.03324	0.3
70.57127	0.5
71.01251	7.7
72.99162	0.5
73.02827	0.4
83.04896	0.3
85.02831	0.9
87.00755	0.6
89.01747	0.4
89.02309	7.2
95.01223	0.2
97.06429	0.3
101.02312	3.4
109.06492	0.7
113.02306	2.2
117.48885	0.2
117.91486	0.2
119.03376	2.6
121.06512	0.3
125.09628	0.7
127.11148	0.9
131.03401	0.4
135.08038	0.4
137.09613	4.0
141.09105	39.0
142.09436	1.3
143.03358	1.0
149.04486	0.3
151.83174	0.2
153.09120	0.4
155.10675	41.1
156.11026	1.6
160.16714	0.2
161.04485	1.3
163.11209	0.4
171.10168	17.2
172.10583	0.5
173.11707	0.2
179.05508	3.4
180.05887	0.4
181.08611	0.7
181.12337	0.2
187.09662	0.2
199.00606	0.3
199.09674	12.7
200.10034	0.4
207.10173	0.6
217.10745	100.0
218.11101	4.4
263.11298	0.2
291.19818	0.2
305.17551	0.5
341.10849	3.5
341.19540	2.5
341.23401	1.1
342.11179	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	341.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13451	2.0
55.01749	2.1
57.03313	3.2
58.00465	4.1
59.01247	100.0
66.92158	2.4
69.26658	21.8
71.01251	97.8
72.99187	4.0
73.02820	4.3
73.39669	2.2
81.03320	3.4
83.04888	2.6
85.02819	13.6
87.00744	5.1
88.69359	2.1
89.02310	89.5
95.01231	2.0
97.02832	3.9
97.06461	5.0
101.02317	35.7
109.06467	17.1
113.02331	30.6
119.03394	30.8
121.06475	2.9
125.09594	4.5
127.11192	2.0
131.03360	3.4
139.11226	3.4
142.02597	3.0
143.03386	9.6
149.04492	3.6
155.10670	2.6
157.06786	5.4
161.04515	10.9
163.11203	8.9
168.72842	1.9
171.04425	4.1
171.10190	6.2
175.56598	2.1
179.05521	34.2
181.12282	3.7
187.96106	2.1
199.09741	2.2
207.10201	21.9
225.11267	5.6
289.18149	3.3
305.17618	4.4
307.19077	2.6
309.20804	2.1
341.10889	41.0
341.17505	4.0
341.23285	16.1
341.27005	7.5
357.09909	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	341.1965
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
55.77480	1.5
57.03316	3.7
58.00443	2.2
59.01233	4.8
66.15542	1.5
69.03313	3.6
69.27760	14.6
71.01239	2.6
71.04897	6.6
73.02831	1.7
80.02531	1.9
81.03312	7.2
83.04888	4.4
84.13297	1.6
86.50700	1.5
87.04375	1.6
90.28903	1.2
93.03349	2.4
95.04888	4.9
97.06460	6.9
98.03594	6.6
98.19817	2.8
107.04946	1.9
108.02036	1.7
109.06467	38.0
111.04349	1.7
112.05199	2.4
113.05970	2.0
121.06470	1.5
123.08038	19.5
125.05959	2.2
125.09591	30.3
126.10029	1.7
127.07529	18.6
127.11180	14.0
135.08104	3.1
137.09601	2.2
139.11172	2.4
141.09111	3.3
151.07513	3.0
151.11169	5.5
153.09055	3.0
155.10651	4.3
165.09119	4.3
167.10638	1.9
169.12064	1.5
171.10172	15.6
177.09225	1.9
183.10197	2.1
185.11694	1.7
195.10168	3.6
197.11922	2.4
199.09651	14.5
199.92929	1.6
201.11246	100.0
202.11597	4.4
209.11763	11.9
213.11252	58.6
214.11688	4.1
215.68365	1.4
227.12732	3.1
233.11893	1.8
251.12874	22.4
265.14523	2.3
287.16458	17.9
288.17099	1.8
305.17532	20.4
323.18619	28.8
324.19061	1.9
341.10577	2.1
341.19650	59.3
341.23865	3.1
342.20038	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1966
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
55.01757	0.6
57.03314	1.8
58.00451	1.2
59.01245	3.5
64.98349	0.5
65.58322	0.5
69.03311	1.1
69.70812	0.9
69.71196	2.9
71.01245	5.8
71.04887	1.1
72.99187	0.8
73.02814	5.1
77.57265	0.4
81.00387	0.4
81.03320	1.1
83.04884	2.1
83.09480	0.4
83.99336	0.4
85.02812	2.1
85.06448	0.5
85.19610	0.4
87.04378	2.0
89.02294	1.7
93.03333	0.5
93.11135	0.5
94.89648	0.5
95.04894	1.0
97.02799	1.2
97.06470	3.6
101.02318	1.1
109.06485	3.9
111.04456	0.7
111.07271	0.7
111.08032	10.3
113.02302	0.8
113.05927	0.5
113.09612	3.4
119.03346	0.7
123.08041	11.3
125.08717	0.8
125.09597	8.8
127.11137	0.7
135.08017	1.9
137.09590	2.9
139.07524	1.1
141.09097	4.9
147.08011	0.8
149.09607	0.7
151.07562	1.6
153.09106	17.8
154.09442	1.0
155.10669	1.4
159.29573	0.4
160.84886	0.5
161.04366	0.5
163.07414	0.6
165.09108	2.7
169.12239	1.1
170.33798	0.6
171.10164	3.1
178.46948	0.5
179.05583	0.5
179.10764	0.5
183.10158	2.1
185.08011	0.6
185.11766	0.9
187.09621	2.7
199.09735	2.2
201.11316	2.9
209.11746	3.6
213.11356	1.5
217.10750	11.4
227.12816	0.9
229.10753	11.4
235.13284	1.0
251.12672	0.5
259.16925	0.6
265.14404	1.1
277.17926	2.9
287.16641	0.9
305.17514	4.5
323.18582	11.7
324.19077	1.2
341.19644	100.0
342.19946	7.8
358.57300	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37241	0.3
57.77521	0.4
59.01243	1.5
69.03325	2.5
71.01252	0.9
71.19270	0.7
71.71063	0.3
79.53357	0.5
83.04902	1.6
84.02029	5.2
85.02833	0.4
89.02318	0.5
95.04882	0.6
97.02820	1.0
97.06466	11.2
99.04385	1.4
109.98945	0.4
119.08546	0.5
125.09601	1.5
137.09644	1.2
151.11101	0.6
163.11246	0.5
165.12759	0.9
171.10178	9.8
172.10466	0.5
175.11208	0.9
183.13803	2.5
185.11780	0.8
187.09711	0.4
193.12263	13.0
194.12540	0.7
197.15379	0.9
211.13275	3.1
221.11752	0.9
225.14903	22.4
226.15269	1.4
243.15971	9.0
244.16089	0.5
253.14409	1.1
273.18439	0.4
291.19629	1.4
305.21091	0.4
323.22266	0.6
341.23300	100.0
342.19412	0.6
342.23630	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	341.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.0
59.01248	10.7
60.53131	0.6
60.53456	0.7
60.53775	0.6
66.60669	0.6
66.98505	0.6
67.80646	0.6
71.01250	8.0
71.04926	0.6
71.19455	1.4
71.19791	0.7
72.30405	0.6
78.55584	0.5
80.02567	0.9
81.03307	1.4
83.04869	0.8
84.02024	0.6
85.02821	0.7
87.00731	0.8
87.73782	0.6
89.02305	8.5
97.02808	1.0
97.06454	0.9
98.03602	1.0
101.02294	3.1
109.06448	1.2
113.02314	2.6
113.09597	1.6
119.03385	2.9
121.06498	0.6
123.04399	3.3
123.08035	1.0
125.09622	3.2
127.07568	0.7
131.03304	0.8
137.09610	1.2
139.07509	1.4
139.11182	1.5
141.09105	0.8
142.02605	0.7
151.07484	0.8
151.11160	5.5
153.09132	4.9
153.12749	1.4
154.09865	2.5
155.10651	0.9
157.61270	0.6
161.04489	1.7
163.11208	0.9
165.12752	1.0
167.10683	0.8
169.12262	2.2
171.10170	5.9
175.11115	0.9
177.12708	1.1
179.05545	3.3
179.14281	0.6
185.11781	0.7
193.12302	0.9
193.16063	0.6
195.13731	0.8
201.11205	1.0
203.14293	0.7
209.11670	0.7
213.11241	4.0
221.11789	1.8
247.20613	8.6
248.20924	0.8
265.21866	0.7
273.18658	1.0
291.19635	100.0
292.19986	8.1
309.20670	41.1
310.21133	3.1
323.22150	2.7
325.20355	1.3
341.10876	3.4
341.23285	68.9
342.11557	0.6
342.23627	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	341.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81090	1.1
55.18151	1.1
57.03089	1.0
57.03320	8.8
57.35931	1.0
58.00456	3.7
59.01248	56.4
60.01573	1.1
65.71419	1.1
69.03303	2.3
69.69781	5.4
69.70192	3.0
71.01250	46.4
72.99161	4.3
73.02811	2.8
83.01240	2.0
83.04905	1.8
84.02016	2.0
85.02812	7.1
87.00729	5.8
87.04377	1.4
89.02314	53.2
95.01262	2.2
97.02789	1.3
97.06467	2.0
101.02316	22.6
106.72515	1.2
113.02317	17.7
115.07547	1.4
119.03393	18.9
123.08053	2.0
124.45152	1.3
125.02327	1.6
125.09612	9.9
127.07539	1.3
127.11179	23.9
128.05360	1.3
131.03386	2.7
135.04408	1.6
137.09634	6.8
139.11179	2.5
141.09099	2.2
143.03401	6.5
149.04510	1.6
151.11166	2.8
153.09090	2.4
155.10649	3.3
161.04433	8.2
165.09113	3.7
169.12209	3.4
171.10161	22.0
179.05522	21.9
182.15932	1.2
183.01147	2.1
183.10162	1.3
183.13857	1.5
185.11652	1.6
187.09644	1.4
195.10194	1.9
199.09639	3.4
201.11252	59.2
202.11594	3.2
207.10179	1.8
211.13303	1.7
213.11250	34.2
225.11201	1.6
225.14835	1.7
227.12947	1.4
239.63280	1.3
243.12268	1.9
281.12579	1.4
291.19598	2.3
305.17691	2.6
305.21191	5.3
309.20624	2.9
323.18591	1.7
323.22241	19.5
341.10794	28.2
341.19574	5.6
341.23270	100.0
342.11334	2.6
342.23575	9.7
350.08154	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.8
59.01245	5.7
66.11983	0.6
67.01736	0.8
69.03321	1.7
69.55029	5.7
71.01240	5.2
83.04883	1.3
84.02037	22.0
85.02800	1.0
89.02313	6.5
95.04903	0.7
97.02829	5.0
97.06470	3.5
99.04397	5.0
101.02314	1.7
111.04380	0.8
113.02356	1.6
119.03394	2.4
119.08557	1.3
123.08042	1.1
125.05962	0.9
125.09590	3.3
127.07500	0.9
127.11164	1.2
135.08066	1.9
137.09622	1.6
159.10149	0.8
171.08733	1.4
171.10173	29.0
172.10545	1.5
179.05571	2.2
183.10182	1.0
183.13834	12.6
187.09653	1.0
193.12270	3.1
195.13824	0.8
201.11214	2.1
211.13277	4.6
215.12907	3.4
223.16757	0.8
225.14966	4.2
233.15508	1.2
243.12363	3.2
243.15907	1.9
251.16513	1.7
265.18060	1.4
283.19138	0.7
291.19751	2.2
305.17603	0.9
323.18518	2.9
341.10757	2.3
341.23291	100.0
342.19421	1.0
342.23633	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	343.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.7
59.01238	7.1
69.03313	3.9
71.01237	2.4
71.04894	6.0
71.70083	1.3
73.02177	1.1
73.02802	1.9
73.47114	1.2
74.98969	1.6
75.00767	1.5
83.04893	2.3
83.69917	1.2
85.02817	8.1
85.49287	1.1
87.00762	1.8
93.03320	3.2
97.06458	2.2
97.39873	1.3
98.20551	3.1
99.00776	2.1
99.04386	7.4
101.02295	2.0
107.04883	1.3
109.06459	4.8
111.04404	2.7
118.98038	1.7
120.99483	2.4
121.06469	4.2
123.07976	1.5
125.09542	1.7
135.11684	3.8
137.02339	1.8
142.04410	1.4
153.05421	1.8
171.10159	13.9
176.00853	1.3
177.12717	9.9
179.10667	1.3
181.04906	1.3
187.09657	4.6
191.05475	1.6
193.10527	2.1
201.11208	2.6
211.11676	1.3
221.11761	100.0
222.12106	5.8
229.16177	1.3
255.10562	1.4
265.10876	6.6
299.09729	1.4
343.08511	86.7
343.11697	3.2
343.21185	26.1
344.08728	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	343.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	29.3
59.44975	1.1
69.03328	3.2
69.42815	9.9
71.01254	8.0
72.99187	1.2
73.02823	1.2
78.78536	1.1
85.02826	1.8
89.02316	6.9
91.62115	1.3
95.01278	1.3
101.02319	6.1
107.27221	1.0
108.55939	1.2
109.02834	7.3
109.06470	5.2
113.02335	2.7
119.03442	5.5
119.04910	11.8
121.02834	7.3
122.03624	1.6
135.04384	8.1
137.04912	1.5
137.05965	30.3
140.39326	1.0
163.03877	7.6
166.02614	3.1
181.04977	100.0
182.05328	4.0
185.00899	1.6
186.41733	1.0
226.20799	1.1
302.87677	1.0
343.10355	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	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
51.70817	0.2
52.05154	0.2
53.93012	0.2
59.01247	12.7
66.94922	0.3
69.03329	0.8
69.36392	2.1
69.36813	0.6
70.47834	0.2
71.01210	0.3
80.21252	0.3
81.03339	0.4
92.73474	0.3
93.03336	0.4
95.04890	0.7
95.58546	0.3
97.40228	0.3
99.00761	0.4
107.04942	0.8
109.02831	5.0
109.06464	3.5
119.04897	3.7
120.35518	0.2
121.02837	5.6
122.03634	1.0
135.04417	5.1
136.04741	0.7
137.05977	26.9
138.06302	0.6
138.56754	0.2
150.40131	0.2
154.44325	0.3
163.03944	0.4
166.02641	0.6
181.04980	100.0
182.05328	5.1
185.00888	0.5
191.05502	0.3
212.18216	0.3
236.12894	0.3
343.10306	10.7
344.10751	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	343.1031
Annotation	Hygrophiloside
Peak:m/z	Relative Intensity
55.28969	3.7
57.03312	12.5
57.53879	4.5
59.01243	17.4
61.81088	3.9
63.56617	4.4
69.03319	22.7
70.65771	4.7
71.01245	31.1
71.45385	6.6
71.45726	5.4
72.97398	52.0
72.99166	13.1
73.64544	4.1
75.00729	7.2
75.32171	4.0
77.53271	3.9
85.02815	15.8
87.00745	11.9
89.02309	15.0
93.03345	13.3
95.04890	9.7
97.02848	9.8
99.00770	24.2
101.02358	5.3
107.04868	6.6
108.02052	5.3
109.02837	4.4
109.06448	7.5
111.00766	6.9
113.02370	5.2
119.04909	42.3
121.02853	23.6
121.06426	9.8
122.03643	6.6
123.04406	26.4
129.01822	100.0
130.08588	6.4
133.06424	4.8
134.97449	11.9
135.04398	14.4
137.05977	32.1
147.04393	13.1
150.03252	4.3
151.03902	7.4
153.01787	5.0
159.02824	6.2
163.03941	31.3
165.05458	52.7
177.03955	18.1
177.05408	9.7
179.03522	4.8
181.04951	14.1
185.00894	5.4
187.68806	4.2
191.05426	4.8
193.05009	4.6
205.05011	13.0
223.06052	27.9
263.11057	4.4
318.59164	5.0
343.10199	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	343.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	83.4
70.82805	22.4
70.83138	13.7
85.28848	12.5
89.02312	18.1
121.02855	35.1
151.13319	11.0
168.98018	12.7
171.10242	14.9
181.08554	13.8
184.03404	12.1
201.02516	17.5
283.17093	43.1
296.14133	27.0
311.16458	50.1
343.18994	100.0
343.24866	19.3
343.28421	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	343.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24121	9.2
59.01247	93.1
60.17053	9.3
61.53219	11.2
62.33910	11.0
64.44270	11.6
68.04694	11.2
69.48873	100.0
71.01256	93.5
89.02299	15.5
109.06458	25.2
116.46513	12.6
121.02885	15.9
137.84351	11.0
150.96565	11.5
171.10136	27.7
194.17995	10.9
201.02472	30.1
207.10167	27.6
312.53531	13.0
343.24844	34.2
343.28552	20.8
344.18646	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
51.60054	0.4
57.03315	0.5
58.00461	1.8
59.01238	1.4
67.55553	0.3
69.03323	0.6
71.01252	0.4
71.59080	0.7
85.02811	0.5
93.03259	0.5
93.06973	0.9
97.02828	1.8
97.06463	0.9
105.06988	0.5
106.04115	0.9
107.04875	0.5
111.08009	0.6
116.75784	0.4
123.08038	6.6
125.09596	4.6
127.11180	3.4
135.08054	4.9
137.09662	0.7
139.11165	0.5
141.09113	1.0
143.22827	0.4
153.09108	23.2
154.09483	1.1
155.10687	1.1
157.12169	0.5
165.09113	1.1
167.10641	0.5
171.10172	100.0
172.10526	3.9
172.11914	0.7
183.10150	0.4
185.11723	1.0
198.89627	0.5
199.09741	0.7
201.11249	25.9
202.11594	1.4
213.11212	2.3
216.66017	0.4
229.14421	0.4
245.13791	0.9
245.19087	0.8
257.15366	0.5
266.13123	1.6
271.17050	2.9
281.15414	1.7
285.08185	0.4
289.18069	9.7
290.18341	0.9
299.16745	0.4
307.19138	10.2
308.19479	0.9
325.20212	5.4
343.11896	0.7
343.15549	3.4
343.21228	14.9
344.15643	0.4
344.21622	1.3
356.62662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63769	0.4
57.03316	1.1
58.00462	0.5
59.01255	2.4
69.03333	0.6
70.81348	0.4
71.01262	1.0
71.04877	0.7
71.59327	0.5
73.02823	0.5
75.39674	0.3
81.03313	0.6
83.04904	2.0
85.02802	0.6
87.04390	0.4
89.02338	0.4
93.06974	1.6
94.04106	0.5
94.55866	0.4
95.04874	0.7
97.06493	1.8
97.52171	0.4
101.02301	1.0
103.38451	0.4
106.04106	0.8
107.04910	0.4
107.08532	0.4
109.06469	0.9
111.08032	0.5
121.02879	0.7
121.06480	1.2
123.08045	10.3
125.09621	5.5
127.11137	3.8
135.08038	1.4
137.09579	0.9
143.10611	0.5
145.03958	0.6
153.09099	1.6
155.10666	1.3
157.12270	0.6
159.10178	0.6
163.11229	0.5
165.09143	1.8
171.10182	10.9
181.08679	0.4
183.10167	0.7
185.11748	0.7
191.05496	0.9
199.09723	2.2
201.11250	31.2
202.11566	1.4
209.11856	0.7
213.11275	1.6
215.12680	0.9
227.12831	0.6
236.61913	0.4
237.15018	0.8
239.12791	0.5
246.08846	0.5
252.77950	0.4
263.16522	0.5
283.19067	0.5
289.18079	1.3
301.20206	1.6
307.19040	0.7
325.20169	4.9
326.20313	0.5
343.21222	100.0
344.17673	0.7
344.21594	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	343.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92202	3.5
57.03313	7.2
58.00455	4.5
59.01247	31.6
65.42778	2.7
66.17398	3.3
66.27643	3.3
67.15927	3.0
71.01248	8.4
73.02821	10.3
74.63210	2.8
76.33471	3.3
83.04920	4.9
88.05824	3.2
97.06456	12.6
99.07968	3.5
102.96582	3.8
111.41848	2.9
115.07526	10.7
123.08060	17.3
125.09605	74.0
127.07492	3.5
127.11147	8.0
129.09113	19.6
137.09628	11.8
139.11121	4.4
141.09091	24.6
143.10670	10.7
151.11168	19.0
153.09114	7.2
155.10699	10.5
163.11256	4.4
165.09131	4.2
171.10155	88.0
172.10521	4.4
181.08778	4.2
181.12186	3.5
185.11732	12.8
187.09659	10.6
197.11742	6.4
199.09648	10.0
201.11227	100.0
202.11618	3.7
209.11685	3.6
213.11218	21.7
215.12823	21.1
216.13057	4.1
217.01349	5.2
225.11243	13.7
227.12843	16.2
229.14384	4.0
243.12366	34.8
246.05293	7.3
263.19986	5.8
289.18100	5.6
297.20526	4.0
299.16528	6.5
307.19144	25.4
308.19470	3.8
325.20029	38.4
326.20450	5.3
343.15323	7.3
343.20663	18.0
343.24442	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	343.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.9
59.01247	19.1
63.68624	1.4
64.31107	1.5
69.03316	2.3
69.93696	5.2
69.94107	3.8
71.01259	3.1
71.04885	2.2
71.77378	1.8
73.02830	2.7
82.41656	1.4
84.71171	1.5
89.74986	1.5
96.80233	1.6
96.95872	5.7
97.06457	8.5
99.08022	3.3
121.06454	1.6
121.68732	1.3
123.08044	15.4
125.09608	65.3
125.10531	3.4
126.09914	2.6
127.11201	8.7
135.08014	2.2
137.09624	3.6
141.09093	5.2
143.10660	5.4
151.11208	2.2
153.09084	2.2
155.10684	6.7
160.63303	1.7
165.09172	2.6
171.10176	19.5
181.12231	3.9
183.09937	1.8
185.11757	3.5
186.75545	1.5
187.09692	10.5
199.09731	8.0
199.67940	1.6
201.11247	100.0
202.11607	5.9
209.46809	1.5
213.11224	3.6
215.12929	8.0
221.15329	3.5
225.11249	9.1
225.14917	2.9
243.12352	12.9
253.18080	2.0
289.18112	2.0
297.20731	3.0
300.11099	1.6
307.19116	10.2
325.20047	10.0
333.66022	1.8
343.21045	3.2
343.24854	28.6
344.25000	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	343.2123
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.01756	0.6
57.03329	3.1
58.00462	1.3
59.01243	1.7
69.03304	0.4
71.01253	3.0
71.04859	0.6
73.02811	4.5
83.04876	1.2
84.02049	0.4
85.02819	1.4
87.04385	1.0
97.06472	4.0
98.03587	0.6
109.06463	1.9
111.08022	3.9
113.09605	13.7
123.08047	5.3
124.08421	0.6
125.09606	8.4
127.11166	0.9
135.08060	2.3
137.09619	1.5
139.07539	1.0
141.09120	4.0
151.07579	1.0
151.11101	0.8
153.09119	18.9
155.10646	1.6
165.09177	2.8
168.82404	0.4
169.12296	0.7
171.10226	2.3
183.10185	2.0
187.09668	1.7
201.11304	1.0
217.10759	10.7
217.12885	0.6
218.11137	0.5
219.36856	0.4
229.10745	8.3
229.16797	0.4
261.18417	0.5
273.88367	0.4
279.19623	1.4
291.63333	0.4
307.19092	1.1
325.20297	4.0
343.21225	100.0
344.17960	0.4
344.21536	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	4.6
59.01251	17.4
69.03329	2.1
71.01247	2.0
71.04887	1.8
71.19258	3.1
73.02824	2.3
83.04897	1.7
83.20701	1.6
86.04679	1.8
92.27626	1.5
96.95876	4.0
97.06467	10.0
99.08017	2.5
106.04088	1.8
115.07589	2.1
123.08038	13.8
125.09608	71.2
126.09961	2.8
127.11191	9.6
135.08072	2.0
137.09605	4.9
139.11212	2.6
141.09082	4.3
143.10687	3.5
151.11189	2.4
155.10661	6.0
165.09109	3.7
169.08586	3.9
171.10159	26.7
181.12260	1.9
183.10121	3.1
185.11783	5.0
187.09717	9.4
193.12241	3.7
199.09663	10.3
201.11237	100.0
202.11630	6.4
207.10130	2.3
213.11276	4.5
215.12769	10.4
221.15297	2.3
225.11256	10.9
225.14888	5.7
243.12256	10.2
243.16060	2.7
297.20825	3.3
307.19162	9.6
325.20065	12.3
339.74475	1.7
343.21207	2.2
343.24829	38.7
344.25330	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2122
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03316	2.9
59.01264	0.8
69.03332	2.0
69.58564	2.6
71.01239	1.3
71.04880	1.2
72.99187	0.5
81.03320	0.9
83.04893	3.3
84.02033	1.8
85.02821	5.5
85.06451	0.9
87.04380	1.0
93.03281	0.6
95.04887	2.2
97.02821	1.3
97.06467	3.2
99.04380	1.1
106.04122	0.7
109.06482	0.9
111.08012	1.1
113.05929	0.4
113.09616	0.5
123.08051	2.7
125.09630	2.0
135.08047	0.9
137.09598	2.6
141.09109	2.3
141.12759	0.6
146.25824	0.4
151.11186	1.6
153.09068	0.8
153.12740	0.8
155.10707	1.2
163.11166	1.2
163.46809	0.4
165.12865	0.4
171.10170	5.2
181.12267	6.1
183.13878	0.7
187.09708	4.1
199.13274	0.5
201.11200	1.2
209.11745	2.6
211.13327	3.1
221.11742	0.5
227.12839	2.6
229.14383	3.6
237.14915	3.1
245.13882	1.4
245.19200	0.4
249.14890	0.5
261.18570	0.5
289.18118	0.7
307.19202	0.9
325.20276	3.0
343.21222	100.0
344.21542	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	343.2121
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.92202	3.5
57.03313	7.2
58.00455	4.5
59.01247	31.6
65.42778	2.7
66.17398	3.3
66.27643	3.3
67.15927	3.0
71.01248	8.4
73.02821	10.3
74.63210	2.8
76.33471	3.3
83.04920	4.9
88.05824	3.2
97.06456	12.6
99.07968	3.5
102.96582	3.8
111.41848	2.9
115.07526	10.7
123.08060	17.3
125.09605	74.0
127.07492	3.5
127.11147	8.0
129.09113	19.6
137.09628	11.8
139.11121	4.4
141.09091	24.6
143.10670	10.7
151.11168	19.0
153.09114	7.2
155.10699	10.5
163.11256	4.4
165.09131	4.2
171.10155	88.0
172.10521	4.4
181.08778	4.2
181.12186	3.5
185.11732	12.8
187.09659	10.6
197.11742	6.4
199.09648	10.0
201.11227	100.0
202.11618	3.7
209.11685	3.6
213.11218	21.7
215.12823	21.1
216.13057	4.1
217.01349	5.2
225.11243	13.7
227.12843	16.2
229.14384	4.0
243.12366	34.8
246.05293	7.3
263.19986	5.8
289.18100	5.6
297.20526	4.0
299.16528	6.5
307.19144	25.4
308.19470	3.8
325.20029	38.4
326.20450	5.3
343.15323	7.3
343.20663	18.0
343.24442	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	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03592	0.4
64.86731	0.4
65.03794	0.5
71.45390	0.8
121.10107	9.8
122.10429	0.6
125.09592	1.0
127.11152	2.0
137.09595	2.0
139.11151	1.8
153.09023	0.7
165.09143	1.2
171.10175	60.7
172.10547	2.3
233.74309	0.5
275.11630	0.5
293.21207	2.1
343.24863	100.0
344.25198	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	343.2485
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01245	1.5
62.80806	0.5
69.03312	1.6
71.07946	1.2
74.22688	0.5
81.28225	0.5
83.04893	0.5
97.06463	1.1
99.08029	4.5
100.05080	0.5
121.10118	4.6
123.08025	1.1
125.09601	6.5
127.11161	1.6
137.09583	1.7
139.11186	1.2
165.09145	0.6
165.12695	0.8
171.10170	30.4
172.10512	1.3
185.11641	0.5
187.09727	0.6
193.12265	9.7
195.67200	0.5
201.11223	6.1
211.13347	1.8
225.11348	1.1
225.14894	12.4
226.15164	0.7
243.15947	5.2
276.04550	0.5
293.21164	2.1
325.23965	0.7
343.24847	100.0
344.25223	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	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.7
59.01246	2.5
63.01495	0.2
64.57005	0.2
69.03316	1.8
69.76694	1.5
71.01241	0.4
82.75955	0.2
83.04890	1.6
95.04869	0.4
97.06460	1.4
99.08023	9.6
100.08425	0.3
109.06519	0.4
111.08038	0.5
119.74499	0.3
121.02856	0.5
121.10095	0.6
123.08012	0.9
125.09611	3.2
127.11162	0.5
129.09100	0.6
137.09605	1.8
139.11182	2.1
141.09113	0.4
141.12708	0.4
143.10670	0.7
144.57841	0.2
149.09541	0.5
149.13240	0.9
151.11125	0.5
153.09067	0.3
155.10727	0.2
163.11177	0.3
165.12762	1.0
167.10635	0.3
171.10164	10.2
172.10463	0.4
175.11182	1.0
178.41499	0.3
183.10205	0.4
183.13768	0.6
185.11700	0.4
185.78882	0.3
193.12253	16.6
194.12541	0.8
197.15456	0.8
199.09659	0.4
201.11221	1.8
207.09995	0.5
211.13335	5.6
213.11203	0.4
215.12860	1.2
225.14902	22.6
226.15189	1.3
236.92679	0.3
243.12340	3.4
243.15965	8.3
244.16357	0.5
245.11766	0.5
246.05223	0.3
249.22285	0.4
273.11313	0.7
289.18063	0.5
293.21204	1.7
299.30948	0.3
307.19104	0.6
311.22339	0.6
325.14178	0.7
325.20184	4.0
325.23798	0.9
326.20624	0.3
343.24844	100.0
344.25204	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	345.1187
Annotation	Iridoid glycoside
Peak:m/z	Relative Intensity
52.55309	0.6
56.66865	0.7
57.03315	1.0
58.00438	1.2
59.01250	17.8
69.03316	1.6
69.47488	1.5
69.47903	4.5
71.01252	13.7
72.99169	5.4
73.02811	2.0
83.01255	1.0
85.02824	3.3
87.00753	1.5
89.02309	9.6
93.03339	2.5
97.02821	0.9
98.20538	0.8
101.02315	6.4
107.94754	0.7
111.04401	0.7
113.02331	7.0
119.03359	3.3
121.06492	3.5
123.04377	1.0
123.07983	1.0
123.55471	0.7
135.04404	1.5
137.09592	1.0
139.07539	100.0
140.07875	2.7
142.01534	3.5
151.03934	1.0
153.09119	2.1
163.07542	1.8
164.19159	0.7
165.05467	2.0
165.09175	0.9
173.04498	5.0
179.05386	0.7
181.08644	1.5
181.68161	0.7
183.06548	57.5
184.06914	2.0
191.05440	0.7
207.06458	1.1
225.07640	3.1
229.04236	9.4
245.62456	0.7
257.04486	0.9
257.12863	3.3
285.04025	4.4
345.11908	1.4
345.15598	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	345.1553
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01738	2.9
57.03307	4.3
58.00466	5.4
59.01249	78.0
65.79655	1.2
67.01747	1.5
69.03307	1.2
69.17484	1.1
71.01250	71.1
72.99180	4.1
73.02808	12.8
74.15450	1.0
81.03350	1.0
83.01253	6.5
83.04885	1.1
85.02820	19.3
87.00727	7.0
89.02311	42.8
93.03334	9.6
95.01263	4.6
99.00748	6.0
101.02316	51.3
109.02839	2.5
111.04404	1.9
113.02325	26.0
119.03393	22.4
120.99515	2.2
121.10120	12.6
123.04357	1.4
132.04382	2.4
133.02847	13.0
134.83510	1.1
135.04399	40.8
137.02284	1.3
143.03395	3.6
149.04482	1.5
161.02321	1.5
161.04524	6.0
165.04195	1.8
165.09119	4.2
173.04478	5.5
176.03944	28.5
177.01822	4.8
179.03409	13.1
179.05061	1.9
179.05429	1.7
183.10202	12.1
191.05545	18.0
214.12111	1.2
215.05528	4.1
225.81250	1.2
229.04210	2.9
243.05795	4.1
257.12772	2.1
271.31485	1.2
301.16748	1.4
341.08789	3.3
345.15509	100.0
346.15839	8.0
351.07132	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	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01750	1.3
57.03301	2.1
58.00449	3.9
59.01249	99.0
70.67099	1.9
71.01252	56.9
72.99172	4.8
73.02805	3.1
78.76426	0.9
83.01257	3.8
85.02827	11.9
87.00752	3.4
89.02312	53.7
95.01249	4.6
98.20480	1.0
99.00770	1.1
101.02317	44.6
102.02593	1.0
113.01600	1.9
113.02323	21.7
119.02556	1.9
119.03390	25.4
120.39054	1.0
120.99521	4.8
127.36208	1.1
128.19608	1.0
131.03395	3.6
143.03371	1.5
143.71510	1.1
149.04440	1.2
161.04385	1.8
165.09122	1.5
171.10168	3.6
179.05486	2.8
183.10233	2.5
191.05460	3.0
253.17979	1.2
257.08197	2.2
271.19305	1.3
303.88876	1.0
345.15543	100.0
345.22195	17.1
346.15787	6.6
346.22818	1.3
359.05145	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	345.1552
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
52.25350	0.8
55.01743	1.2
57.03305	1.7
58.00457	1.9
59.01249	54.5
59.04331	0.7
61.13395	1.0
67.80576	0.8
69.03323	1.9
69.77914	5.4
70.53003	0.8
70.68909	0.8
71.01251	34.4
72.99179	6.8
73.02818	2.5
73.07000	1.1
81.02101	0.9
83.01250	2.8
84.60455	1.1
85.02827	6.2
87.00736	2.2
89.01753	1.5
89.02312	30.0
95.01247	1.7
95.57451	1.0
101.02318	23.2
101.59613	0.9
113.02332	12.5
116.49852	0.9
119.03387	13.9
119.08549	2.2
120.99512	2.6
121.10120	40.9
137.09627	7.4
137.78850	1.0
138.50705	0.8
149.04419	0.9
161.04434	1.1
161.52635	0.9
165.09123	64.8
166.09439	2.5
171.10179	1.1
183.10184	38.2
191.05510	2.6
210.79941	0.9
277.23947	0.9
339.21527	0.9
345.15509	100.0
345.22516	6.1
346.15891	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	345.1552
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
51.08618	1.0
52.06336	0.8
55.01752	3.4
57.03315	2.6
58.00467	2.2
59.01249	77.2
62.72003	0.9
71.01252	48.8
71.59499	1.2
72.99170	5.5
73.02815	7.1
74.75097	0.8
75.00748	1.1
79.38026	0.9
83.01245	4.2
85.02822	16.1
87.00750	8.3
89.02312	40.6
93.03340	1.1
95.01250	4.8
99.00753	3.3
101.02316	38.4
111.04419	1.6
111.40870	1.0
113.02322	14.9
118.97977	1.8
119.03391	18.9
120.99527	2.2
121.10118	10.4
122.99119	2.4
125.09631	1.5
131.03378	1.8
137.09599	0.9
139.00246	1.0
143.03395	2.7
145.03955	2.0
161.04471	2.0
165.09126	6.7
167.10689	0.9
179.05550	2.0
183.10158	4.6
191.05626	1.1
201.01865	0.9
201.11116	0.8
209.11789	1.5
223.13313	4.3
241.14436	2.5
251.12921	3.4
257.09329	1.2
257.12082	1.4
262.99878	1.0
269.09335	1.2
313.13174	2.0
345.15536	100.0
345.22708	4.6
346.15961	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	345.1702
Annotation	[4aS-[4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid
Peak:m/z	Relative Intensity
59.01244	0.8
68.98253	0.8
69.54591	6.3
70.47110	0.7
71.04892	35.0
99.04390	100.0
100.04728	1.9
102.15141	0.8
118.09861	0.8
141.92926	0.7
165.93294	0.8
197.09738	1.6
199.11182	2.0
201.12776	55.2
202.13148	3.3
229.12296	0.9
234.44905	1.0
271.45001	0.8
283.17029	1.5
287.64133	0.8
297.15021	0.9
301.18079	30.4
302.18411	2.1
302.93762	0.9
309.20615	2.1
313.18106	3.4
345.17053	68.6
346.17325	5.8
363.18027	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	345.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	44.2
64.52879	7.9
65.72041	7.7
69.12908	7.7
70.14513	37.0
73.00127	8.1
78.95766	8.6
108.61404	7.6
117.97572	7.4
123.04409	15.9
124.19473	7.7
179.98256	8.7
186.95430	11.6
202.98709	20.2
248.10370	21.1
248.96033	15.6
290.97101	33.3
306.23373	8.3
309.15018	19.7
309.20688	100.0
313.18130	81.4
331.91251	9.7
338.78436	8.7
345.16934	22.3
345.20599	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	345.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00840	8.1
59.01244	32.0
60.62626	8.5
61.30219	10.2
64.93010	11.2
71.07835	10.6
71.08205	23.2
97.02795	13.5
109.19208	9.2
117.52427	9.5
120.86140	9.2
142.58635	8.4
171.10201	19.8
172.10521	16.9
199.11191	32.3
213.12749	26.4
241.15987	38.5
255.69321	9.9
283.17099	18.8
290.97205	12.2
291.19724	22.3
301.18063	50.7
309.20694	100.0
325.97086	12.5
345.16895	74.3
345.25333	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	345.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87165	18.2
59.01243	16.7
70.02970	100.0
92.46245	16.5
98.20496	24.1
111.58903	21.6
128.54132	20.1
285.88321	18.2
291.19580	79.2
309.20615	97.1
336.88892	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	345.2278
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03309	1.2
59.01241	1.7
64.98678	0.3
65.94301	0.3
67.50166	0.3
69.03333	0.5
69.88860	1.4
71.01250	1.1
71.04903	0.8
72.99174	0.5
73.02792	0.6
73.38663	0.3
77.94276	0.3
78.60666	0.3
78.95770	0.4
81.03302	0.4
83.04893	2.0
84.02024	1.2
85.02816	2.0
85.06461	0.8
88.06040	0.3
89.82376	0.3
92.77661	0.3
93.03338	0.7
95.04883	0.3
96.95911	0.5
97.06461	0.4
97.47292	0.3
97.54025	0.3
99.07446	0.4
99.08031	4.0
101.02350	0.3
109.06457	0.4
111.08030	1.2
113.09592	0.9
123.08057	1.7
125.09595	2.2
128.26376	0.4
129.09084	0.9
130.75716	0.3
136.01578	0.3
137.02245	0.3
137.09598	1.3
139.07590	0.3
139.11232	0.4
141.09065	1.6
141.12749	0.5
151.11192	1.3
153.12729	1.2
158.03450	0.4
159.04373	1.0
163.11188	1.5
167.10715	0.4
169.12218	0.8
172.09181	0.3
179.10689	0.5
181.12253	13.1
182.12437	0.7
191.05518	0.6
199.13371	0.7
201.11188	0.7
213.09268	0.4
217.84720	0.3
227.12819	3.6
245.13879	2.8
267.16058	0.5
273.99814	0.4
278.75339	0.3
301.14658	0.5
301.17975	0.6
327.21707	0.5
345.22775	100.0
346.19205	0.5
346.23123	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	347.153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
59.01247	4.8
59.63439	0.5
61.01030	1.2
70.92654	1.0
70.93002	0.5
71.01237	2.8
85.02839	1.4
85.11639	0.5
87.00750	18.8
87.02626	4.2
89.02316	1.7
101.02321	1.9
103.02109	4.6
105.03675	100.0
106.04008	1.4
113.02327	1.0
118.06468	0.4
119.03401	0.8
120.99554	1.6
122.99109	0.9
123.08064	0.7
126.57778	0.5
141.07341	3.7
146.02844	0.5
149.05994	1.0
157.60571	0.6
167.10732	0.9
171.29288	0.5
179.08894	1.0
185.11571	0.5
187.03908	0.5
188.04671	0.7
191.05490	0.9
197.09961	10.0
198.10228	0.5
205.04988	0.9
206.05702	0.7
209.11827	1.0
215.11040	5.0
223.11526	1.0
231.38034	0.5
241.08981	1.8
241.12589	1.5
248.02095	0.5
259.13702	25.6
260.13937	1.5
347.15244	81.2
348.15546	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	347.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84657	0.6
57.03306	0.5
58.99480	0.5
59.01251	2.7
60.66357	0.5
61.01040	1.1
71.01264	1.5
71.59187	0.9
81.54461	0.5
84.95414	0.5
86.04057	0.5
87.00755	22.6
87.02618	4.8
89.02313	0.6
93.03340	0.7
96.95892	0.9
97.06505	0.6
100.41453	0.5
101.02315	0.8
103.02119	5.0
105.03680	100.0
106.04033	1.0
120.99536	1.9
128.88483	0.5
134.03615	0.8
135.04451	1.1
141.07361	4.3
145.02737	0.6
148.05186	0.6
149.05997	2.1
163.11145	0.9
175.03973	1.1
177.01680	0.6
179.08949	1.3
188.04724	1.3
191.05632	0.8
193.05058	0.6
197.10013	10.3
201.05461	0.6
201.09145	0.6
205.04997	3.1
206.05678	2.8
209.11743	1.6
215.11057	3.7
223.11494	0.6
229.08644	0.5
241.09015	2.2
241.12613	0.6
250.04709	0.7
259.13718	32.9
260.14020	1.6
273.14969	7.6
301.18097	4.9
329.17490	3.2
347.15320	92.7
347.18762	21.0
348.15448	7.1
348.19037	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	347.171
Annotation	Rhodioloside A
Peak:m/z	Relative Intensity
58.00472	1.6
59.01252	29.5
61.93964	1.1
71.01252	20.8
72.99162	1.3
73.02813	4.8
75.03857	1.1
83.01268	2.2
85.02825	5.2
89.02314	12.1
91.03882	2.0
95.01254	1.6
101.02332	12.9
107.74883	1.3
113.02338	6.8
119.03378	4.7
151.11163	4.9
153.12759	1.4
155.10674	1.5
167.10651	7.2
169.12248	100.0
170.12660	2.8
173.04445	1.4
185.11742	4.5
191.05588	2.8
195.32927	1.2
197.11760	70.1
198.12094	4.5
241.10754	8.2
250.43483	1.4
295.82184	1.6
315.14484	80.6
316.14856	4.5
346.28595	1.3
347.17096	92.4
348.17450	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	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01745	0.8
57.03324	1.7
58.00467	3.6
58.00710	0.7
59.01247	100.0
60.01570	1.1
69.94662	0.7
70.37242	1.6
70.37636	1.5
71.01248	64.1
72.99169	5.5
73.02826	1.8
77.55274	0.7
79.83380	0.7
83.01264	2.5
85.02814	11.9
87.00747	2.1
87.52594	0.8
89.02309	75.8
90.02650	1.0
95.01273	4.4
97.42423	0.8
99.00791	0.8
101.02315	35.1
108.02081	1.1
113.02323	25.2
119.03382	35.3
131.03415	3.4
142.32178	0.8
143.03441	4.6
149.04466	2.0
152.01060	2.3
161.04486	2.6
167.03432	3.1
167.10677	11.6
179.05536	8.4
206.05806	1.2
273.15216	1.6
301.18051	0.9
347.17886	10.0
347.24188	1.3
348.18344	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	347.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21284	0.9
52.91690	0.9
55.74081	0.8
57.03323	0.8
59.01247	15.2
62.20261	0.9
69.03327	1.6
71.01248	8.5
71.46702	1.0
71.59380	1.2
72.99197	1.8
73.02802	1.3
74.98974	2.2
85.02839	2.6
89.02303	5.6
91.03899	3.6
93.03310	1.5
101.02328	3.5
111.29036	0.9
113.02313	2.8
119.03356	2.1
120.99541	2.5
135.04413	2.8
136.99072	1.9
151.11185	4.9
167.00761	1.9
169.12251	100.0
170.12631	4.7
173.04480	1.1
173.25266	0.9
179.10689	1.5
185.11749	7.3
197.11763	68.0
198.12163	3.4
229.83484	0.9
241.10788	9.3
242.11458	1.1
257.11569	1.2
315.14462	82.1
316.14813	5.5
347.12625	2.2
347.17120	39.2
348.17694	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	347.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01251	6.6
56.27588	6.4
59.01239	18.2
69.79420	31.9
69.79829	17.0
81.56092	7.5
109.03143	7.0
136.01546	9.8
183.13838	10.4
195.06889	8.0
245.39586	8.0
291.19699	22.6
309.20700	100.0
347.18277	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	347.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.6
69.03328	1.0
70.45692	4.4
71.01250	1.5
71.02017	1.0
71.04882	2.2
76.27337	1.2
80.02566	2.5
84.02035	3.6
85.72198	1.1
93.03342	1.4
97.02837	3.1
110.03603	1.5
111.47230	1.1
121.06504	1.7
123.08050	2.8
125.09634	12.5
135.04425	1.2
135.08067	2.0
137.09642	6.5
141.09088	14.3
142.02643	3.8
148.51653	1.3
149.09604	1.3
153.09122	28.4
155.10687	5.6
163.07220	1.4
165.08913	1.9
171.10233	1.7
179.10620	1.6
181.08430	5.3
182.09398	2.8
183.09888	1.9
191.06825	3.4
193.08389	26.9
205.08298	1.7
208.22876	1.4
209.07880	39.4
211.13301	1.4
219.10023	3.7
221.11501	3.2
223.09518	8.9
225.07434	2.7
231.09923	9.0
235.09523	3.5
247.09538	6.3
248.10242	2.8
249.11098	20.8
250.11388	2.0
260.38766	1.3
261.18533	2.1
263.16214	1.9
293.21265	3.1
301.17889	4.2
303.19415	5.3
311.22238	6.5
319.19034	6.8
329.17279	18.0
347.18384	100.0
347.47037	1.3
348.18781	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	347.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.6
69.03328	1.0
70.45692	4.4
71.01250	1.5
71.02017	1.0
71.04882	2.2
76.27337	1.2
80.02566	2.5
84.02035	3.6
85.72198	1.1
93.03342	1.4
97.02837	3.1
110.03603	1.5
111.47230	1.1
121.06504	1.7
123.08050	2.8
125.09634	12.5
135.04425	1.2
135.08067	2.0
137.09642	6.5
141.09088	14.3
142.02643	3.8
148.51653	1.3
149.09604	1.3
153.09122	28.4
155.10687	5.6
163.07220	1.4
165.08913	1.9
171.10233	1.7
179.10620	1.6
181.08430	5.3
182.09398	2.8
183.09888	1.9
191.06825	3.4
193.08389	26.9
205.08298	1.7
208.22876	1.4
209.07880	39.4
211.13301	1.4
219.10023	3.7
221.11501	3.2
223.09518	8.9
225.07434	2.7
231.09923	9.0
235.09523	3.5
247.09538	6.3
248.10242	2.8
249.11098	20.8
250.11388	2.0
260.38766	1.3
261.18533	2.1
263.16214	1.9
293.21265	3.1
301.17889	4.2
303.19415	5.3
311.22238	6.5
319.19034	6.8
329.17279	18.0
347.18384	100.0
347.47037	1.3
348.18781	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	347.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73783	0.7
59.01249	1.1
66.54254	0.6
66.77279	0.6
68.74576	0.6
70.92442	1.3
70.92767	0.7
71.01235	0.7
71.04911	1.3
77.37821	0.6
78.42505	0.7
80.02531	1.1
84.02039	2.6
97.02831	1.4
97.96345	0.6
99.08035	0.9
103.83189	0.6
110.03523	0.7
123.08042	1.7
125.09605	2.9
127.11141	1.3
137.09605	5.3
140.17255	0.7
141.09111	7.4
147.83214	0.6
149.05975	0.8
153.09076	4.6
153.12759	0.8
154.09891	1.1
155.10689	5.0
163.07306	1.1
163.11249	0.8
165.08936	0.8
174.45496	0.7
178.84549	0.7
181.08421	4.4
181.12233	1.8
183.10027	1.6
191.06775	5.1
193.08342	5.3
202.14070	0.7
205.08485	0.7
206.45816	0.7
207.09995	1.2
207.17487	1.3
209.07874	14.8
210.08228	0.8
217.19571	2.6
219.09978	2.9
221.07909	1.6
221.11549	2.7
223.09534	1.2
225.07381	1.7
226.22667	0.7
227.08911	1.2
231.09969	4.6
233.07906	1.3
233.19188	0.7
235.20654	3.8
244.10770	1.7
247.09340	3.1
248.10190	7.6
249.11034	19.4
250.11334	0.8
261.18500	1.0
263.16226	1.1
272.10376	2.6
275.16241	2.9
283.16821	1.3
285.18433	1.7
287.16177	5.3
289.17783	0.8
291.19562	1.8
301.17889	5.1
303.19409	18.1
304.19833	0.9
309.20737	1.3
311.22424	1.4
319.18866	16.3
320.19144	1.3
329.17334	18.5
329.20734	0.7
330.17731	1.3
330.52350	0.7
347.18362	100.0
347.25595	2.4
348.18716	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	347.1861
Annotation	Alboatisin B
Peak:m/z	Relative Intensity
58.55030	0.2
59.01243	0.4
66.84446	0.3
69.32798	0.7
69.33212	2.0
71.01241	1.4
73.02820	1.7
77.38243	0.3
77.42718	0.3
98.20536	0.7
106.18918	0.3
114.23335	0.2
135.53954	0.3
145.89793	0.2
149.05951	0.3
160.61478	0.3
191.05551	0.4
201.12784	0.9
229.15880	0.5
240.11568	0.5
243.13837	0.6
250.04703	0.5
255.13927	0.4
257.11807	2.4
257.15335	0.5
258.12570	5.5
259.12967	0.5
268.14716	0.4
271.13254	0.4
271.17078	0.4
273.14935	32.4
274.15305	2.8
285.14914	1.9
286.15698	2.8
287.16434	0.3
290.11664	0.9
299.16614	0.5
301.14725	1.2
301.18045	29.0
302.18405	3.0
303.16104	0.4
315.16080	1.9
317.17465	1.3
318.14606	0.6
329.17542	5.3
330.18002	0.4
331.15497	2.1
345.17151	0.5
347.18591	100.0
348.18948	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	347.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56756	3.3
55.77396	3.0
69.80418	18.4
73.87068	2.8
76.14097	2.9
91.09189	3.0
98.20566	3.4
105.27942	3.0
108.73132	2.9
117.87058	3.1
120.94339	2.9
123.08058	5.5
125.09610	13.0
137.09564	4.9
141.09091	7.8
141.76598	3.2
153.09071	30.4
171.10167	5.4
191.06837	6.1
193.08363	17.0
195.35619	3.5
203.62056	3.3
209.07864	37.9
219.09975	3.8
221.11598	3.4
223.09457	9.9
225.07298	4.1
231.09991	8.6
247.09372	7.1
249.11050	25.3
261.18710	4.2
270.25235	3.3
293.21143	5.1
301.17715	5.2
311.22369	24.3
319.18848	4.1
329.17267	16.3
347.18375	100.0
347.21683	4.0
348.18811	8.1
367.65793	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	347.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59961	20.9
58.10081	21.8
60.69764	21.5
71.58163	27.5
71.58507	33.2
91.77998	23.0
96.95891	34.9
97.84776	22.8
120.03796	22.1
136.24400	22.1
231.39510	25.8
238.06084	27.1
309.20773	42.0
311.22223	100.0
314.72174	26.4
347.18668	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
59.01249	3.8
64.55527	0.6
68.84819	0.6
71.01244	2.6
73.02821	1.1
85.02818	1.6
87.04393	1.4
89.02318	1.3
91.66993	0.6
93.03352	1.2
95.04877	1.3
97.06469	3.5
98.20569	1.5
101.02320	1.3
113.02309	2.4
123.08033	12.6
125.09612	42.4
126.09927	1.8
139.07570	1.2
143.10651	3.9
149.02322	1.9
169.08618	6.6
187.09677	100.0
188.09947	3.4
201.11250	4.2
229.10785	4.0
349.09225	1.3
349.13425	1.2
349.18796	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	349.1548
Annotation	Isostrychnine N-oxide
Peak:m/z	Relative Intensity
54.95610	0.9
59.01250	2.4
60.24172	0.8
64.95108	0.8
69.48662	6.1
71.01212	1.0
73.76239	0.9
84.10815	0.9
87.64201	0.9
96.95893	1.3
101.18254	0.9
128.49565	0.7
128.50705	0.7
148.08817	1.5
150.10368	1.1
165.12762	20.6
183.83275	0.8
247.20653	10.4
273.18573	4.6
291.19632	56.3
292.19858	4.7
313.17868	3.2
340.51224	0.9
349.15469	100.0
350.15738	5.8
356.52554	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	349.1866
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01749	1.4
57.03315	1.5
58.00463	0.8
59.01249	13.3
63.11790	0.3
71.01250	15.3
71.04858	0.3
72.01572	0.3
72.99192	0.7
73.02813	2.9
79.02533	0.3
80.41605	0.3
83.01250	3.1
84.17596	0.3
85.02820	5.9
85.99982	0.5
87.00729	1.5
89.02312	2.4
93.03336	1.1
95.01262	1.2
96.95895	0.5
97.02828	0.4
98.97591	0.3
99.00739	1.8
101.02312	6.7
111.00761	1.4
113.02338	2.6
113.09599	0.4
113.53906	0.4
116.62389	0.3
119.03399	0.8
121.02847	0.9
123.04367	0.4
141.12738	1.6
149.02350	1.2
169.12234	2.0
187.13309	32.0
187.93275	0.4
187.97534	0.5
188.13634	1.4
191.05449	0.4
199.13298	0.6
201.14873	0.4
229.14445	0.6
276.16202	0.4
331.17630	2.9
332.17758	0.4
349.18643	100.0
350.18973	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	349.1865
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01749	1.2
57.03330	0.9
58.00462	0.8
59.01247	18.9
69.29617	1.4
69.30023	2.9
71.01250	17.3
71.01658	0.6
71.04892	0.6
72.99178	1.6
73.02825	2.1
83.01260	2.0
85.02818	5.1
87.00736	1.1
89.02308	4.8
93.03348	0.8
95.01276	1.3
99.00770	1.3
99.08035	1.3
101.02316	8.6
111.00767	0.9
111.04458	0.5
113.02328	4.0
119.03369	1.8
121.02784	0.7
122.02021	0.4
126.54591	0.4
141.12711	2.6
149.02309	1.7
152.46045	0.4
169.12251	4.3
187.13306	25.8
188.13649	1.3
191.05508	0.7
221.42474	0.5
229.14438	1.0
289.13223	0.5
290.42346	0.5
296.61212	0.4
309.07263	0.5
331.17712	2.9
332.04001	0.4
349.18637	100.0
350.19031	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	349.1867
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01750	3.6
57.03300	2.5
58.00455	4.9
59.01248	100.0
63.23597	1.2
68.56191	1.2
71.01250	83.2
71.04877	1.7
71.58718	1.5
72.99165	6.1
73.02813	9.6
81.03278	1.1
83.01258	8.5
85.02817	21.9
87.00771	9.6
87.24179	1.2
89.02309	51.4
93.03347	1.7
95.01253	5.8
96.95862	2.5
97.02798	1.7
99.00743	6.2
101.02314	58.0
105.55547	1.4
113.02325	29.0
119.03378	21.1
121.02775	1.4
121.50386	1.4
125.02306	1.4
131.03401	1.9
133.02948	1.3
135.04454	1.5
141.09093	8.9
141.12770	2.1
143.03362	3.5
143.10655	1.5
149.04402	1.4
149.25032	1.7
159.02925	2.2
161.04460	15.6
169.12231	14.0
179.03450	2.2
179.05498	3.1
187.13292	6.3
188.87628	1.3
191.05533	4.9
235.32375	1.3
261.15265	1.7
261.18454	1.3
303.19727	1.3
331.18973	2.0
349.18655	100.0
350.18872	7.5
360.72330	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	349.196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	59.7
67.01752	29.2
70.88529	65.6
77.62872	19.6
79.29720	18.2
89.31567	20.7
96.95901	100.0
136.98470	19.4
167.06053	22.9
243.06523	22.8
261.22678	21.7
276.52386	22.9
289.18057	27.0
311.22110	48.2
313.23792	48.0
349.16379	29.1
349.20166	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	349.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	51.6
66.13152	11.9
69.63170	63.5
69.63585	27.3
70.25713	13.5
96.95911	19.0
109.22533	13.2
128.54564	15.4
171.10155	60.4
190.91960	13.2
192.25705	13.3
200.44588	15.6
293.21118	65.5
311.22214	100.0
349.13522	33.8
349.19962	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	349.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	50.8
60.32029	17.9
61.06373	18.4
70.12206	91.1
84.33006	20.8
94.23403	23.0
96.95898	100.0
127.41169	21.7
139.11169	32.0
153.74820	18.5
194.99483	22.9
221.37279	19.1
240.06113	22.6
311.22144	67.9
331.36145	22.9
349.16446	40.8
349.20291	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	349.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60913	4.9
59.01244	13.4
59.29807	5.6
69.80969	31.3
71.01268	10.3
87.00770	10.5
92.50025	5.5
96.95887	8.7
126.17405	4.9
139.11142	7.6
143.07048	6.6
144.83762	5.3
170.86043	6.0
171.10176	8.8
171.17349	5.2
177.34137	5.3
199.07402	6.0
215.08984	6.3
238.08167	100.0
265.41504	5.0
293.21268	17.8
311.22186	39.8
331.16766	7.2
347.15381	9.2
349.19791	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	349.2017
Annotation	Oreskaurin C
Peak:m/z	Relative Intensity
58.00420	1.3
59.01253	1.5
67.87537	0.3
69.50491	0.4
69.50900	2.3
71.01250	2.5
73.02819	3.0
77.62647	0.3
80.18930	0.3
89.02274	0.6
97.06404	0.9
101.02273	0.5
111.55150	0.3
119.04928	0.4
187.11208	0.9
201.12837	0.9
227.10738	0.5
227.14337	0.5
229.15852	1.1
240.80862	0.3
243.13820	0.6
255.13770	0.8
257.11761	0.5
257.15363	2.4
259.16940	0.6
261.92526	0.4
271.17047	0.6
273.14874	1.2
275.16489	30.1
276.16833	2.2
283.17001	0.4
285.14914	1.2
285.18576	3.0
287.16504	0.4
301.18130	1.7
303.19611	41.3
304.19916	3.6
313.17996	0.4
317.17493	2.4
319.19110	1.3
331.19125	5.7
332.19595	0.4
333.17050	2.4
347.18616	0.8
349.20166	100.0
350.20523	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	350.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.6
71.58422	0.9
88.20647	0.7
89.02303	0.9
95.36706	0.7
144.04453	100.0
145.04805	4.9
292.49445	0.7
313.03018	0.9
350.18188	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	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61448	0.6
57.03308	1.4
58.00455	0.7
59.01249	17.5
67.01765	1.3
68.99691	1.3
69.03321	0.7
70.33646	1.2
71.00882	1.2
71.01250	14.9
72.99178	5.2
73.02818	1.2
75.00745	17.8
75.68708	0.7
81.03328	0.8
83.01264	1.5
85.02336	1.2
85.02822	17.9
87.00742	7.0
89.02325	3.5
91.03909	0.7
93.03340	4.4
95.01275	4.9
96.95894	0.6
98.02376	0.7
98.95416	0.9
99.00751	10.7
99.53515	0.6
101.02331	1.3
101.05958	100.0
102.06280	1.5
103.00240	1.3
108.04498	0.7
109.02848	0.9
111.00729	0.7
113.02333	19.7
115.00268	1.9
117.01832	2.7
119.03356	0.7
129.01849	1.9
133.02861	6.6
135.04401	3.2
138.05533	0.7
142.10454	0.6
152.72617	0.6
157.01480	0.7
173.04488	2.3
175.02388	1.8
177.01776	1.5
179.03397	1.7
189.11244	0.9
191.05545	5.5
195.06552	2.6
197.07124	0.9
215.05618	1.4
231.05048	1.9
246.68065	0.6
249.06120	14.2
265.05365	1.7
267.07053	0.9
291.10757	0.7
333.11990	1.9
351.12927	53.4
351.16495	3.9
352.13354	3.1
356.45465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.7
63.54720	0.8
69.25881	4.4
69.26304	6.3
71.01254	10.4
74.96057	5.9
87.00755	1.5
89.94756	1.4
93.03322	5.1
95.04881	2.0
96.95888	14.5
105.03339	2.1
109.02832	2.2
123.04398	1.7
127.07545	1.9
128.97144	4.2
133.02844	13.3
135.04401	3.9
151.03943	1.1
155.06931	0.9
173.04451	8.0
177.01805	4.9
177.09103	3.0
179.03346	1.6
190.09845	1.2
191.05527	7.3
191.10675	1.3
192.11461	8.6
192.95805	3.7
193.08452	1.9
193.12109	1.2
205.12346	4.3
207.13815	2.8
215.05617	4.9
218.09433	2.6
220.14615	64.0
221.15398	100.0
222.15739	8.5
231.17424	2.3
235.13399	2.2
236.10489	90.4
237.10878	6.0
271.22794	2.5
275.16397	5.2
278.10544	5.5
279.11325	3.8
293.14255	1.3
293.17545	21.8
293.20633	1.7
294.18030	1.6
311.47339	1.0
333.12390	8.8
338.97284	1.0
351.13464	64.9
351.18277	9.4
351.21811	2.6
352.13693	4.3
352.17615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61415	0.5
55.01744	1.5
57.03320	1.3
58.00457	1.1
59.01248	38.9
59.02265	0.6
67.36176	0.7
69.43341	5.8
71.01251	21.1
72.99163	1.9
73.02815	79.6
74.03127	1.0
83.01260	1.6
85.02815	7.9
87.00745	1.4
89.02307	11.1
90.51715	0.7
93.03321	2.6
95.01262	1.5
99.00752	2.6
101.01691	1.1
101.02319	16.0
109.02799	1.2
113.02323	8.0
119.03395	4.7
127.07521	3.0
131.03386	0.8
133.02844	5.3
135.04407	1.2
143.03427	1.0
159.02823	0.9
161.04478	5.4
171.06523	1.7
171.10141	2.6
173.04396	3.1
177.01880	2.4
189.11229	1.8
191.05518	4.5
215.05579	2.5
226.45651	0.7
277.12918	5.8
291.14493	1.3
307.13010	1.2
333.15543	3.8
351.16580	100.0
352.16977	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	351.1705
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01245	10.4
60.15399	1.1
68.83934	1.0
71.01257	1.5
78.01222	1.2
85.02827	1.2
94.33698	1.1
96.95866	2.7
97.21127	1.2
103.01080	1.0
117.31242	1.5
121.10138	9.8
124.06537	1.1
162.90175	1.2
171.10181	20.0
192.95808	2.2
208.33760	1.1
229.04826	2.4
231.21075	1.7
233.59996	1.3
275.20193	18.7
293.21225	14.4
294.21628	1.9
315.19379	1.5
351.17041	100.0
352.17426	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	352.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49522	0.1
59.01248	0.5
63.93357	0.1
67.01756	0.4
68.99668	0.1
69.03331	0.1
71.01247	1.6
72.99168	0.1
73.02821	0.2
81.03331	0.2
83.01250	0.2
83.04892	0.2
83.64478	0.1
84.45139	0.1
85.02813	1.5
87.00735	0.5
89.75356	0.1
91.05386	0.2
93.03332	1.6
94.03662	0.2
95.01224	0.2
97.02826	0.1
99.04374	0.1
100.01525	0.1
105.03336	0.2
106.04132	0.1
107.01155	0.1
107.04903	0.9
108.02038	2.5
108.05304	0.1
109.02850	1.1
111.00762	1.0
111.04400	0.3
113.02312	0.2
117.03339	0.2
119.04942	0.3
121.02834	2.7
122.03638	1.2
123.00725	0.5
123.04376	0.3
124.01547	7.4
125.02345	3.3
126.03130	1.3
127.03912	0.6
132.02025	0.6
133.02844	2.8
134.03642	8.3
135.04405	100.0
136.04715	4.4
136.06125	0.1
137.02330	3.5
137.05949	0.2
137.17635	0.1
139.03900	1.1
145.02834	0.9
146.03593	0.1
146.05746	0.6
147.04419	0.2
148.01602	0.1
148.05173	0.4
149.02393	0.4
149.05952	0.5
150.03123	4.7
151.03903	12.6
152.04221	0.6
154.02623	0.2
155.03397	0.2
157.04961	0.1
159.04425	0.3
160.01585	0.7
161.02339	5.4
161.05952	0.5
162.03125	1.2
163.03934	0.7
165.01736	0.1
167.03453	0.5
167.71652	0.1
173.04457	2.9
173.05952	0.2
174.04703	0.2
174.06648	0.1
175.03792	0.1
177.01852	0.4
177.05455	0.4
178.02600	1.4
179.03404	27.5
180.03809	1.8
181.05005	0.5
189.05496	0.7
191.05525	5.8
192.05901	0.4
192.07751	0.1
194.02126	1.5
204.04153	0.1
205.04924	0.1
215.05502	0.1
216.05815	0.2
246.08832	0.1
263.09274	0.2
271.06100	0.9
289.06973	0.1
290.07925	0.5
291.08438	0.2
307.08203	0.8
308.08954	1.6
309.09082	0.2
352.07562	0.3
352.17920	0.1
352.21906	0.1
353.13919	0.1
353.23370	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12209	1.7
58.47951	1.7
59.01239	9.4
67.01762	4.6
71.01257	6.9
71.58054	2.7
72.99184	3.6
77.01469	1.5
80.63232	1.5
84.13647	1.8
85.02820	13.2
87.00768	2.7
93.03327	29.7
97.64433	1.7
109.02858	1.8
111.04385	7.4
127.03882	3.0
135.04410	69.8
136.04755	2.4
137.02335	4.9
144.26677	1.9
155.03387	4.6
161.02388	5.6
173.04459	84.0
174.04758	2.7
179.03410	55.1
180.03799	2.5
190.99820	1.9
191.05528	100.0
192.05856	3.8
353.08618	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	353.0877
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
57.03319	0.5
59.01252	2.8
67.01761	0.5
70.65733	1.4
71.01252	2.8
72.99183	0.6
73.02820	1.6
75.22254	0.4
81.03297	0.6
83.04870	0.9
85.02817	6.7
87.00744	2.2
89.02313	1.4
93.03337	7.9
99.04421	0.6
101.02306	0.9
109.02858	0.8
111.04387	2.4
119.03387	0.6
122.73381	0.4
127.03905	1.5
129.05479	0.6
133.02866	0.5
135.04427	6.4
136.09796	0.4
137.02399	1.1
143.03366	0.5
155.03400	1.3
161.02306	2.1
173.04460	11.5
179.03410	5.8
180.03940	0.5
191.05530	100.0
192.05905	4.2
353.10651	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31784	0.2
59.01243	1.7
67.01765	0.4
70.87540	0.5
71.01245	1.0
83.04885	0.5
85.02820	9.8
87.00757	1.8
93.03325	3.5
99.04374	0.3
109.02845	1.0
111.04388	1.1
112.32305	0.3
127.03894	2.2
133.02840	0.6
135.04408	3.2
137.02344	0.4
155.03407	0.5
161.02328	2.2
164.06407	0.3
171.02899	1.0
173.04451	2.4
179.03423	2.4
191.05533	100.0
192.05859	3.9
353.08630	0.6
363.66550	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	353.0876
Annotation	Chlorogenate
Peak:m/z	Relative Intensity
54.59714	0.4
57.03308	0.4
59.01245	3.9
60.99165	0.8
67.01764	2.0
69.03316	0.9
69.29430	2.3
69.29849	1.7
71.01249	1.9
73.02867	0.6
81.03304	0.5
83.04881	0.4
85.02820	9.1
87.00749	3.8
88.49676	0.4
93.03333	10.2
95.01231	0.4
99.00730	0.7
100.03885	0.4
101.02316	0.5
107.04912	0.7
109.02827	1.2
111.04427	2.0
113.02322	0.6
119.04916	0.5
121.02845	1.0
127.03884	2.3
133.02806	1.7
135.04408	3.3
137.02280	0.7
155.03384	1.3
161.02321	2.4
161.04475	0.4
171.02914	0.8
173.04462	12.6
174.04808	0.6
179.03430	7.8
180.03854	0.5
191.05525	100.0
192.05875	3.9
261.73163	0.4
353.08698	4.5
353.12155	0.7
353.16306	0.8
354.09106	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61021	0.2
59.01237	2.1
67.01759	0.5
69.03316	0.2
69.36497	2.0
69.98605	0.2
71.01244	1.1
73.02798	0.3
77.53256	0.2
81.03311	0.3
83.04905	0.3
85.02817	7.3
87.00735	1.4
93.03326	2.9
99.00744	0.4
99.04372	0.4
101.02293	0.3
109.02821	0.4
109.21542	0.2
111.04385	0.9
113.02328	0.3
125.08392	0.2
127.03892	2.0
133.02843	0.8
135.04422	1.5
155.03374	0.3
161.02316	2.1
163.00233	0.3
171.02896	0.5
173.04457	1.9
176.01091	0.8
179.03386	1.3
191.05524	100.0
192.05841	3.4
193.01291	0.3
199.27637	0.2
288.19290	0.2
353.08661	1.5
354.05911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60834	3.3
59.01242	38.7
59.42415	2.9
63.60130	3.4
69.03315	3.3
70.45197	12.8
71.01254	37.7
72.99184	4.4
73.02819	36.3
81.03326	5.1
83.04896	14.1
85.02831	15.2
87.00759	20.7
89.02336	26.4
93.03331	75.4
99.00755	9.7
99.04403	7.0
101.02304	16.9
103.00226	5.1
109.02868	3.1
111.00766	4.3
111.04398	26.9
113.02317	11.8
119.03379	5.1
122.37742	3.1
127.41529	3.0
129.01848	7.0
129.05550	3.7
131.23793	3.1
135.04353	5.3
137.02325	17.2
143.03358	6.6
155.03412	13.8
173.04466	100.0
174.04829	4.0
175.06030	3.9
179.05510	6.9
191.05504	17.2
239.92867	3.5
262.51932	3.9
266.32550	4.2
270.25287	3.3
291.10788	12.6
308.00858	3.6
353.07111	7.5
353.10849	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	353.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.3
58.99471	17.3
59.01251	7.4
69.03300	1.0
69.57259	7.1
71.01252	2.0
72.45366	0.9
73.02799	1.3
74.98968	1.5
82.01119	0.9
84.12997	0.8
85.01049	3.6
85.02818	3.8
87.00732	1.0
87.04396	1.6
93.03325	2.2
96.95866	1.6
97.02832	0.8
97.06448	1.1
98.20536	2.1
102.98470	100.0
103.98816	2.1
111.00762	1.0
111.04395	1.7
120.99527	15.2
121.06477	2.5
135.04404	2.8
135.08017	0.9
137.09627	15.5
138.09952	0.9
141.09079	1.9
163.00540	3.6
163.11191	5.7
173.04469	2.5
179.03444	2.0
189.12862	1.0
191.05536	30.2
192.05891	1.9
209.15421	2.7
223.11565	41.1
224.11861	3.7
311.13483	1.6
353.08859	1.1
353.13818	2.5
353.23300	14.6
378.59662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99469	18.1
59.01241	6.7
67.25848	0.6
67.80646	0.7
69.56360	2.4
69.56779	2.5
70.87518	0.6
71.01251	2.0
74.98947	1.2
85.02830	3.5
87.00729	1.7
87.04379	1.5
93.03326	1.5
96.95866	1.2
98.20602	1.5
99.24718	0.8
102.98466	100.0
106.04129	0.6
108.02021	1.7
109.02851	1.3
111.00758	1.1
111.04353	0.8
120.56096	0.7
120.99533	14.2
121.02851	1.4
121.06455	1.8
123.68761	0.8
124.01513	4.6
125.01826	1.3
125.02361	0.8
126.02689	1.3
127.03943	0.9
131.75987	0.6
133.02805	1.3
134.03673	4.4
135.04417	61.9
136.04741	57.9
136.64041	0.7
137.02338	1.5
137.04869	1.5
137.09621	9.4
138.02643	1.3
150.03119	1.7
151.03925	8.6
152.04221	5.5
161.02321	3.0
162.02747	3.2
163.00583	3.4
163.11194	6.2
171.10202	0.7
173.04446	1.9
178.02750	0.9
179.03412	15.2
180.03748	16.1
181.03813	1.0
187.09734	0.8
189.12846	0.8
191.05527	28.8
192.05885	2.7
223.11552	57.7
224.11899	4.6
299.43051	1.0
308.08514	1.0
309.09250	2.2
311.13214	2.0
335.18689	0.8
353.13919	1.4
353.23291	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1864
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
55.92918	2.0
59.01242	11.1
65.97058	1.9
71.59014	3.3
85.09555	1.9
87.39896	1.8
94.77986	1.9
104.51344	2.1
118.99316	2.0
171.10185	14.8
191.05530	9.9
270.68759	2.2
277.21725	16.3
295.22757	25.8
353.18579	100.0
353.27063	4.7
354.18945	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	353.1864
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
50.51212	1.3
51.19101	1.3
56.21180	1.4
59.01238	8.2
59.10876	1.4
60.92056	1.3
66.33688	1.5
71.59319	2.2
71.86459	1.5
95.04922	3.1
113.08875	1.5
113.09614	1.9
115.70835	1.5
191.05470	7.2
195.13792	13.2
225.01682	2.0
238.07286	1.6
243.99883	2.1
271.22842	3.6
277.21637	10.6
295.22769	50.7
296.23206	4.3
314.07797	1.9
317.20905	5.9
353.18597	100.0
353.26904	3.6
354.19061	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	353.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53137	2.3
57.03312	6.3
57.05577	2.0
59.01245	13.0
67.01737	2.2
69.12411	2.1
69.51137	13.7
69.51543	5.3
71.01237	9.5
73.02805	5.5
80.02544	9.8
81.03316	5.4
83.04900	5.5
84.01907	2.1
85.02821	10.0
87.00763	3.0
89.02356	2.0
92.39168	2.3
93.03322	9.7
95.01276	2.5
95.04902	4.2
96.95894	4.7
97.02801	2.4
97.05859	4.6
97.06459	53.7
99.04382	8.0
107.04908	2.6
108.02059	4.1
109.06466	73.4
110.06779	3.5
111.00755	3.3
111.04395	3.6
111.07994	3.8
113.02344	2.9
120.05696	4.6
121.02847	2.9
121.06474	14.6
123.08053	5.7
125.05928	2.6
125.09599	51.7
127.11163	8.6
135.04459	17.9
135.08041	36.9
136.04773	7.8
137.05983	5.3
137.09601	6.1
139.07550	4.5
145.06436	2.4
147.08035	14.4
149.05888	2.5
151.07495	4.2
153.09077	3.5
155.10667	11.4
161.02281	4.5
163.07521	5.3
165.09074	5.6
169.12219	3.0
171.10167	31.1
173.04510	10.9
179.03391	9.2
182.20924	2.4
185.11749	3.1
187.07610	7.1
187.09663	38.8
191.05516	100.0
192.05852	4.8
193.12244	4.0
199.09676	88.8
200.10019	5.9
201.11243	55.1
209.11697	3.9
211.03943	2.4
211.13348	7.1
213.11211	4.7
215.12766	2.9
219.10159	6.1
227.03506	2.7
237.11266	6.0
250.57237	2.3
253.08421	3.2
255.12213	18.3
263.16696	3.3
271.16949	2.5
281.15253	2.9
289.18008	4.1
291.15958	15.8
299.16519	24.1
309.17102	43.7
310.17386	3.8
317.17538	61.2
318.17780	3.6
324.10077	3.5
335.18588	72.8
336.18893	5.7
353.09833	4.1
353.13422	13.5
353.19571	27.4
353.23380	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	353.1999
Annotation	Hexamidine
Peak:m/z	Relative Intensity
50.17276	0.5
52.42628	0.7
52.74977	0.5
59.01245	1.6
76.66548	0.6
77.89838	0.6
79.95160	0.5
79.95602	12.7
80.96393	1.6
89.02226	0.6
94.97940	1.0
95.95097	2.8
96.95882	85.7
98.20565	1.2
122.97468	4.8
174.55756	0.6
191.05510	2.6
192.69295	0.7
220.32880	0.7
224.69232	0.7
253.43456	0.8
262.40372	0.6
353.19992	100.0
354.20236	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
55.18968	0.3
59.01236	0.8
65.99560	0.3
71.87405	0.3
79.95631	0.4
80.58226	0.3
81.09054	0.3
96.95874	1.7
129.84785	0.3
147.08101	0.5
163.11194	94.6
164.11526	4.7
177.09120	76.0
178.09460	3.8
191.05502	0.6
194.05746	0.5
203.19838	0.3
222.08928	0.6
287.42377	0.3
338.18860	0.3
353.21179	100.0
354.21533	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	354.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34799	2.2
53.37317	2.8
59.01244	13.4
67.01748	5.6
68.01273	8.6
69.03324	32.8
69.29987	22.9
69.30407	7.1
71.01234	3.5
71.07699	3.0
73.02810	4.1
79.01756	41.1
80.96368	2.9
81.02051	3.5
81.03326	4.0
83.01235	4.5
84.04410	47.6
85.02820	9.9
85.04779	3.2
87.71411	2.6
93.03323	13.3
95.01248	12.9
95.04902	12.8
97.02794	3.0
100.03912	100.0
101.02335	2.7
102.05482	5.5
105.96163	2.9
108.04438	9.0
109.02843	3.7
110.05995	38.2
119.04899	4.0
121.02857	4.8
122.02380	13.5
123.04414	26.6
127.03912	33.4
128.03403	12.0
134.03584	2.7
135.04411	4.1
135.07997	2.8
136.03911	6.2
136.07568	19.1
137.02356	4.5
138.05472	3.6
141.19606	2.4
142.08713	3.5
142.20438	2.4
146.04463	7.0
146.06046	6.2
147.97247	2.5
148.03926	4.4
154.04999	48.3
155.03285	4.3
164.07063	8.8
165.05447	3.6
168.06619	6.5
168.14394	2.4
173.04495	9.0
178.08627	15.3
179.03468	3.9
180.06584	42.1
186.07620	40.8
187.07753	2.8
190.08658	3.6
190.99623	3.3
191.05540	30.0
192.05882	11.4
193.04994	3.9
193.83031	2.9
196.09842	12.3
204.10313	2.4
208.09743	4.6
212.05594	7.0
230.06645	25.5
234.11372	2.7
240.08759	10.8
240.50122	2.3
284.07837	5.2
336.10843	8.0
354.07797	3.1
354.11896	61.6
354.15930	3.3
355.12732	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	354.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31505	0.8
59.01247	5.1
65.55737	0.7
66.03353	2.7
67.01748	3.0
68.01273	1.1
68.99708	0.9
69.03321	22.1
70.02844	1.3
71.01250	55.9
71.08193	1.0
71.08526	1.3
73.02810	13.4
73.23996	0.8
78.98558	0.8
82.50880	0.7
84.98936	4.7
85.02832	0.8
87.00729	1.6
89.02315	2.9
93.03342	2.9
94.02850	1.5
95.01253	5.2
95.04899	0.7
96.04438	1.6
99.00744	0.8
99.04392	1.2
100.03915	1.7
101.02308	2.5
104.04942	1.6
107.04899	4.0
113.02332	1.1
115.00252	100.0
116.00613	1.1
118.06522	3.7
119.03436	1.2
119.04904	1.3
120.04457	2.0
122.02335	1.3
122.05991	1.2
123.00784	1.2
123.04395	6.0
124.03935	6.5
125.05971	1.2
127.03886	2.3
130.06529	4.9
131.03610	1.7
132.04475	1.3
132.80031	0.8
134.06020	1.2
135.04326	0.9
137.04762	0.8
138.03072	1.3
144.04445	1.4
146.06021	15.1
147.04431	2.1
148.03922	3.2
148.07512	1.0
149.04622	0.6
150.05530	0.9
152.03476	1.3
152.07069	0.9
154.04999	2.4
158.06001	1.5
158.09679	1.0
159.03165	0.9
159.04416	0.8
159.06767	0.8
162.05586	1.2
163.06184	0.8
164.07076	15.5
165.07410	1.1
171.65491	0.7
173.04538	1.2
174.05505	9.9
174.09164	4.2
175.07573	0.8
176.03210	2.8
178.02509	0.8
178.08609	5.2
179.07050	1.2
180.03781	0.9
180.06566	7.5
186.05510	1.4
188.07045	1.9
190.99799	2.2
191.05539	6.8
192.05940	3.4
193.04956	1.3
202.08649	9.9
206.08156	90.3
207.08517	5.7
224.09320	3.8
234.11229	4.0
238.10799	58.9
239.11165	3.2
256.11954	2.3
290.86871	0.7
310.12958	37.4
311.13208	3.1
354.11923	55.6
355.12143	5.4
377.15567	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	355.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28321	1.2
57.03322	6.4
58.00464	3.5
59.01250	7.2
67.17590	1.2
69.03329	5.1
71.01231	8.9
71.04901	2.5
71.58928	2.4
72.55501	1.6
72.99184	3.5
73.02816	2.8
80.02568	1.6
81.03339	3.1
83.01265	2.2
83.04901	6.8
85.02807	4.2
85.06465	5.9
93.03338	2.2
95.04902	2.8
97.02829	5.4
97.06454	15.5
98.03630	2.5
99.00743	3.8
99.08028	2.1
105.06990	1.5
107.04876	1.8
108.02046	2.9
109.02818	2.7
109.06475	11.4
111.00761	4.7
111.04402	2.9
111.08017	9.4
111.79211	1.6
113.02320	2.1
113.05966	4.0
118.95306	1.7
118.97990	3.7
120.99509	4.1
121.06458	5.2
123.04358	2.8
123.08014	11.2
124.01562	3.1
125.02357	1.7
125.05984	10.5
125.09610	73.6
126.09949	2.2
127.07552	3.7
127.11193	7.9
133.86745	1.5
135.04448	2.3
137.06001	9.0
137.09660	3.5
139.03918	2.9
139.07542	11.8
139.11165	2.8
141.05431	2.2
141.09090	1.7
143.07039	19.3
149.06021	2.2
153.05460	7.1
153.09135	7.6
154.02591	7.1
155.03416	1.7
155.07027	3.2
155.10703	5.9
165.05495	6.0
165.09154	1.7
167.07063	14.5
167.10770	1.8
169.08621	2.4
171.10197	14.9
183.06555	17.7
183.10146	10.4
185.08095	3.1
185.11748	3.4
187.09671	64.6
188.10017	3.3
191.05559	3.9
193.05934	2.0
193.10431	3.1
199.09665	7.9
201.11244	100.0
202.11526	3.7
211.09769	3.2
213.11317	4.9
223.11528	4.9
227.09132	2.0
229.10793	3.4
249.14891	1.7
251.16467	1.6
265.14856	1.8
265.17993	3.7
275.16513	2.1
277.14243	2.0
291.16153	7.6
293.17392	3.1
301.14374	2.2
309.17108	5.3
319.15640	4.3
327.18164	6.2
337.16519	41.6
338.17215	2.0
355.12885	2.4
355.17590	42.4
356.17868	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09256	0.9
57.03327	2.6
59.00990	1.8
59.01255	24.5
62.27150	1.0
63.16730	0.9
69.02066	0.9
69.03335	2.9
70.93004	1.5
70.93348	2.2
71.01248	1.6
71.04880	1.9
73.02821	1.7
77.04915	1.1
79.05385	1.4
80.02538	2.0
83.04895	2.9
85.02826	1.9
85.06487	1.5
87.00824	1.5
93.03336	4.2
93.06983	5.4
95.01286	1.3
95.04907	4.7
97.02825	1.5
97.06464	5.6
98.20554	1.2
102.98543	1.0
105.98922	1.1
107.04920	2.5
108.02042	6.3
109.02837	1.8
109.06483	7.7
111.00798	1.4
111.04416	2.3
111.08034	14.6
120.02010	1.8
121.02841	1.5
121.06492	2.5
123.04404	4.3
123.08044	3.9
125.05998	3.1
125.09618	9.8
133.02779	1.8
135.04416	1.3
137.02365	1.5
137.05960	3.6
137.09622	17.2
139.07536	2.1
139.11201	3.0
141.09100	2.1
146.03650	2.6
147.04294	1.7
147.58195	1.0
148.01566	2.4
149.02353	2.1
149.06013	1.8
150.06750	4.7
151.07472	1.1
152.04698	5.7
155.07048	1.4
155.10698	1.8
164.04672	2.2
165.05492	3.5
165.09053	1.4
166.06277	1.1
167.07024	3.5
171.10197	5.6
172.55200	1.0
176.01073	64.2
177.01849	50.5
178.02196	2.0
179.07019	7.9
181.08669	1.0
183.06586	1.4
187.09706	3.5
191.05507	2.8
193.10487	3.1
199.09619	2.7
201.11292	5.2
207.12117	1.2
223.11620	3.4
225.13129	13.8
231.17520	4.0
233.15396	6.4
247.17020	4.4
249.14902	9.9
257.15479	1.8
259.13391	13.7
265.18060	2.8
266.11560	12.5
267.15964	2.1
275.16544	8.2
276.16931	1.3
277.14474	11.2
283.19180	2.5
293.17563	65.1
294.17886	3.4
295.15497	36.0
295.18213	1.0
296.15878	2.7
311.13110	1.3
311.18353	1.5
313.14780	2.5
319.15601	2.7
337.16342	7.6
355.08527	6.1
355.17606	100.0
355.24915	2.5
356.18106	8.6
369.94739	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	355.2275
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
57.53566	1.3
70.97260	3.4
84.90134	1.2
85.02796	1.7
107.04876	2.0
109.02879	2.6
122.03602	7.5
127.07545	2.3
135.04398	21.8
136.01488	1.9
145.59944	1.3
147.08023	3.1
149.09651	6.2
151.07501	2.6
154.02609	3.0
161.09599	7.4
163.07472	2.6
163.11189	44.0
164.08337	15.1
165.09117	7.1
177.09106	58.4
178.09908	17.7
179.10677	67.5
180.10999	3.6
183.10210	3.5
187.11171	2.0
191.10704	12.2
193.08609	7.1
280.14655	3.0
298.15714	45.8
298.19116	2.4
299.16208	3.1
337.21692	43.5
338.22095	5.6
340.20389	74.9
341.20688	6.9
355.22757	100.0
356.22989	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	357.0613
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.94970	0.2
54.25193	0.2
56.79312	0.2
57.03327	0.4
59.01250	1.4
65.36008	0.2
67.86733	0.2
69.20092	0.2
71.72226	0.3
74.26862	0.2
74.84219	0.2
77.03844	0.4
86.31868	0.2
89.99951	0.2
93.03342	0.3
97.02805	0.3
98.47470	0.2
121.02836	100.0
122.03175	3.2
165.01869	1.1
167.00639	0.3
171.10144	0.3
180.05714	1.7
181.06497	6.8
182.06921	0.4
187.09656	0.7
201.11278	0.3
225.05516	6.6
226.05901	0.5
269.08173	0.3
313.07144	7.8
314.07416	0.4
357.06137	33.8
357.22778	1.6
357.26563	0.6
358.06458	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	357.1189
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.90640	0.7
59.00946	1.1
59.01249	23.1
60.97392	0.8
69.03336	1.1
71.01257	3.1
71.07057	1.7
72.97395	1.1
78.30626	0.8
85.02808	0.9
86.06703	0.8
89.02359	0.9
93.03310	1.2
101.02312	2.7
108.02068	1.6
113.02296	1.7
119.04900	2.3
121.02827	1.4
123.04382	2.8
124.01553	1.2
134.03644	0.8
135.04422	9.1
136.05194	10.6
141.01863	1.1
150.03032	1.4
151.03931	4.9
151.07579	3.8
179.03419	1.1
180.04239	2.3
180.06071	0.8
191.05478	0.9
195.06557	100.0
196.06938	4.9
199.36417	0.8
241.72543	0.8
357.11935	2.4
357.21283	1.8
358.08954	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52138	0.3
53.03843	0.4
57.03316	0.4
59.01246	7.9
62.10319	0.3
67.01768	0.6
68.99686	0.8
69.03326	11.9
69.34852	3.2
71.01253	6.2
72.99185	0.7
73.02819	0.4
75.00745	0.6
75.94339	0.3
79.82854	0.4
81.03327	51.2
82.03661	1.2
83.01276	0.3
85.02830	1.8
87.00734	2.6
89.02312	4.6
92.04936	0.7
93.03318	0.7
95.01234	0.4
95.04911	1.3
97.02821	0.9
99.00735	0.4
99.04454	0.4
101.02319	2.6
113.02315	3.1
119.03408	2.1
121.02828	0.9
121.06479	0.4
123.04407	1.3
123.08057	1.1
125.02332	100.0
126.02647	2.8
133.06528	0.7
135.04420	0.7
141.01807	0.4
147.08032	0.6
149.02351	3.0
149.06017	0.4
150.03070	0.4
150.06746	3.6
151.03906	1.3
151.07555	6.7
152.04698	0.6
152.07838	0.3
165.09077	0.6
167.03439	1.3
167.07065	3.6
170.53439	0.3
172.59534	0.3
173.04492	0.6
176.03862	0.4
177.05476	2.8
177.09111	0.5
179.05453	0.6
185.00858	1.4
191.05571	0.4
193.08525	0.6
194.05748	4.7
195.01283	0.5
195.02927	2.3
195.04819	0.7
195.06564	8.7
211.06009	0.4
237.07518	0.9
355.86014	0.3
357.08026	1.4
357.11896	12.7
358.12149	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	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12264	0.8
57.03313	1.3
59.01249	5.0
69.03325	15.8
71.01257	4.3
71.04876	2.2
71.19912	1.7
80.02548	1.2
81.03363	1.3
81.89021	1.0
83.04918	1.6
85.02826	1.4
85.06463	1.6
87.04375	1.9
93.03310	2.7
95.01253	1.0
95.54300	0.7
96.95908	1.2
97.02829	4.9
97.06437	2.7
99.00729	3.4
99.50207	0.8
105.07059	0.8
108.02044	2.0
109.02815	1.7
109.06474	25.5
110.03596	2.5
113.05974	3.4
120.99586	0.9
121.02827	1.8
121.06433	4.5
123.04371	1.0
123.08048	7.1
125.05942	1.6
125.09616	5.5
127.00259	1.2
127.11158	2.3
135.04433	0.9
136.01547	7.8
137.02338	1.3
137.05980	7.2
137.26770	0.8
138.03127	5.2
139.07564	6.5
139.11185	1.7
141.01791	1.2
141.05464	7.4
147.04396	1.1
149.05954	2.1
151.03909	11.1
151.07567	1.6
152.04333	0.9
155.06987	1.5
155.10728	0.9
159.04410	1.3
161.02271	1.4
167.07047	100.0
168.07355	3.8
171.10172	44.4
172.10486	1.4
172.74316	0.9
183.10168	0.9
185.00865	6.1
185.08090	7.3
187.09711	0.9
191.05505	3.4
199.09743	1.6
201.11241	30.0
202.11632	1.1
211.09723	1.5
213.11279	0.9
217.10806	1.2
229.10738	7.1
303.15979	4.0
321.17044	19.7
322.17380	1.4
339.18091	5.2
357.13602	1.8
357.19031	2.7
357.22916	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	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.0
58.00457	2.1
59.01245	5.2
69.03331	1.7
70.83361	5.2
71.01252	3.7
71.04894	1.5
80.02547	4.9
81.03331	3.9
85.06470	3.6
87.04384	2.1
93.03337	6.0
97.02843	3.2
97.06464	5.5
99.04381	2.6
108.02065	4.8
109.06473	30.6
109.07165	2.7
121.06448	14.4
123.04406	1.6
123.08034	38.3
124.08376	2.0
125.05983	3.6
125.09607	23.3
127.11185	8.7
133.06433	2.6
135.08011	2.2
137.05963	26.7
137.09581	2.0
138.03114	5.5
139.07567	5.8
141.05463	5.7
149.05975	2.7
151.07506	9.1
155.07065	3.1
155.10695	3.9
165.09126	3.2
165.38126	1.5
167.07039	99.3
167.10666	3.2
168.07382	5.3
171.10172	53.7
177.05496	3.0
183.10187	2.0
185.08110	7.8
185.11774	2.1
187.09680	5.7
199.09683	5.8
201.11247	100.0
202.11577	5.3
203.07133	3.1
209.04166	2.2
211.09627	3.8
213.11238	6.3
217.10757	5.1
229.10730	17.8
251.12779	4.1
277.18094	4.9
285.14951	4.1
303.16043	15.5
321.17023	86.1
322.17157	8.0
339.18219	8.6
357.19077	4.4
367.52200	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	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44521	0.9
56.12236	1.1
57.03315	2.5
58.00449	1.0
59.01241	4.9
60.63807	1.2
69.03329	1.9
71.01238	2.3
71.04877	2.3
74.37048	1.0
78.81360	1.1
83.04891	2.2
85.02831	1.4
93.03329	1.5
95.04897	1.9
97.06487	3.1
99.04360	1.4
107.04916	1.4
109.06471	16.7
111.04410	1.7
120.71589	1.4
120.99538	19.6
121.06458	4.6
121.99801	1.2
123.08047	3.0
124.35154	1.0
125.05961	2.0
125.09610	20.9
127.07565	1.9
127.11177	6.6
135.07990	1.5
135.98212	1.1
137.05974	3.8
139.07503	3.0
139.11171	1.7
143.07053	1.2
144.72481	1.2
147.39026	1.1
149.05969	3.0
151.07552	1.3
155.10635	5.0
165.09122	2.9
167.07042	21.3
167.10678	5.1
171.10168	29.0
174.06735	1.6
185.08099	2.9
187.09627	1.9
191.05498	1.2
199.09663	4.6
201.11250	100.0
202.11658	5.1
211.09694	7.8
213.11186	3.7
215.30609	1.2
229.10759	54.6
229.27286	1.2
230.10989	2.7
277.17770	1.3
285.15073	6.2
303.16019	10.7
321.17090	13.5
339.18091	16.6
340.18509	1.7
357.13522	3.2
357.18619	2.0
357.22754	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	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03599	0.7
57.03327	1.2
58.00474	0.9
59.01239	3.8
61.53391	0.7
67.01758	1.0
69.03329	3.0
69.83760	0.7
70.93143	2.1
71.01278	4.8
71.04894	1.0
73.02816	1.4
80.02548	3.3
81.03329	1.0
85.06464	1.8
87.00732	1.0
87.04386	1.8
93.03344	2.4
97.02843	3.4
97.06473	2.7
99.04411	2.2
106.04143	1.2
107.04937	1.0
108.02064	3.1
109.06471	24.6
110.03625	0.9
110.06821	1.0
111.04411	0.9
111.08042	0.8
113.05970	3.3
121.02821	1.6
121.06490	7.0
123.08035	12.9
125.05975	3.1
125.09612	8.6
127.11166	3.2
133.06493	1.0
135.04387	0.9
136.05220	0.9
137.05968	12.2
137.09602	2.4
138.03130	4.7
139.07533	5.9
139.11208	2.1
141.05489	7.4
149.06021	1.6
151.07553	3.1
153.09116	1.1
155.07040	3.5
155.10699	2.1
161.02367	0.8
165.09172	1.2
167.07047	100.0
168.07375	4.4
171.10172	43.6
172.10562	1.8
183.10217	1.5
185.00882	1.0
185.08109	8.0
187.09729	2.4
191.05476	1.2
199.09695	2.3
201.11258	46.6
202.11597	2.7
213.11250	3.1
217.10722	2.8
229.10774	9.6
276.89566	0.8
277.18134	2.1
285.15018	1.8
293.17627	1.1
303.16006	6.2
321.17041	35.1
322.17285	4.0
339.18121	8.9
357.09848	0.9
357.19473	4.4
357.23007	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14618	1.6
57.03318	2.4
59.01252	7.4
68.86823	1.6
69.58486	10.8
71.01240	5.0
71.04836	1.8
73.02806	2.2
75.00744	3.3
78.95781	1.8
80.02521	1.8
81.03343	3.1
82.82380	1.3
83.04894	3.2
85.01045	2.6
90.19895	1.4
93.03333	3.4
93.06955	2.5
95.04881	2.8
96.95850	2.2
97.02828	1.5
97.06446	5.7
99.27151	1.8
101.02300	1.9
102.98581	1.5
107.04931	1.9
109.06484	13.8
111.04402	2.0
111.08073	2.4
114.45477	1.4
120.99516	5.6
121.06471	4.8
122.09541	1.6
123.08060	4.0
125.05957	3.0
125.09604	23.2
127.11178	8.7
133.06450	2.0
137.05951	4.5
137.09627	2.0
137.55054	1.6
138.98807	1.6
139.07571	2.1
149.06007	2.7
153.09050	1.6
155.10721	3.0
165.09117	2.5
167.07048	18.7
167.10713	3.3
170.09402	1.8
171.10175	28.7
183.10191	1.8
185.08104	4.3
185.11699	3.4
187.09680	4.2
191.05495	3.0
199.09604	3.3
201.11250	100.0
202.11581	6.1
208.22940	1.6
209.11766	3.2
211.09703	7.9
213.11253	5.4
225.13132	6.8
229.10739	46.2
285.15009	7.6
289.18130	2.1
303.16080	12.7
313.14645	6.0
315.18176	3.1
321.17105	14.8
322.17337	1.7
339.18130	15.0
339.21713	2.7
340.18539	2.1
357.13586	5.7
357.19052	2.8
357.22864	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	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29474	1.4
54.99271	1.7
57.03320	28.1
59.01245	4.3
63.29390	2.0
71.58687	2.6
94.07751	1.6
95.98512	1.9
102.14400	1.8
109.06507	3.3
111.08148	1.7
113.09600	26.9
121.02862	9.1
125.09611	3.5
137.09616	4.4
139.11176	1.5
155.10677	44.9
156.11049	2.2
157.08598	100.0
158.08911	3.3
170.43118	1.6
171.10152	5.8
173.09741	1.5
185.11697	8.0
192.95764	4.5
193.12358	1.7
193.78349	1.8
199.09665	29.5
201.11198	4.4
213.11234	8.6
217.15993	1.5
221.01373	1.5
257.10269	44.1
258.10529	3.5
286.57474	1.6
300.95193	1.7
311.18488	3.3
357.19693	3.6
357.26328	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	357.2278
Annotation	SB 939
Peak:m/z	Relative Intensity
50.00333	0.3
55.39568	0.3
57.03316	0.7
59.01245	2.8
67.01756	0.4
69.03316	1.2
71.01247	0.9
71.04877	0.4
72.99179	0.8
73.96115	0.3
81.03329	0.6
83.01254	0.7
83.04884	1.2
84.02035	6.1
84.46999	0.4
85.86346	0.3
93.03320	0.4
95.04881	1.5
97.02830	4.5
97.06457	6.5
99.04317	1.5
102.01376	0.3
107.04883	0.6
107.08538	1.4
109.06482	0.7
111.08017	1.0
113.09601	0.4
119.08537	0.7
120.99566	0.5
121.02848	0.4
121.06497	0.5
121.10110	0.5
123.08044	1.9
123.08849	0.3
125.05954	0.3
125.09606	1.1
133.27432	0.3
135.08063	0.6
137.09656	0.6
139.07507	0.5
141.09120	3.8
145.10126	0.4
156.43285	0.4
163.11195	2.1
167.07013	0.9
169.06857	0.7
171.10168	2.0
181.12219	1.7
185.08112	0.5
187.09671	4.9
191.05424	0.4
191.10614	0.4
193.12267	1.4
195.13841	6.7
196.14174	0.4
201.11250	2.7
208.11044	1.0
209.11720	1.0
211.09628	0.4
221.15286	0.4
223.13316	1.3
225.14868	2.1
229.10727	0.6
237.09438	0.9
239.16510	1.0
241.14311	1.9
243.15947	1.1
259.15430	1.3
269.14072	0.3
269.17551	1.1
275.82785	0.4
283.93448	0.3
293.17914	0.3
307.19159	0.5
312.69534	0.4
321.17032	0.4
330.03442	0.3
339.21695	0.4
357.13937	2.3
357.22797	100.0
358.23141	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	357.2281
Annotation	oscr#21
Peak:m/z	Relative Intensity
52.55845	1.0
57.03315	4.9
59.01241	4.2
65.30430	1.2
69.03316	2.5
71.01237	1.7
71.04884	2.7
71.59222	1.1
81.03342	2.4
83.04913	6.2
84.02050	8.1
85.06461	1.6
87.04385	4.0
93.03313	1.1
95.04921	5.7
97.06458	4.8
99.04403	2.4
100.38351	1.2
106.04143	1.2
109.06451	2.6
111.04385	4.0
111.08018	1.7
113.05968	2.5
121.06477	1.3
121.10096	1.1
123.04387	4.2
123.08067	2.2
125.04987	0.9
125.05929	2.7
125.09595	12.0
127.11213	2.0
135.08054	3.1
137.09610	2.1
141.09094	1.8
143.10638	1.4
153.09099	1.5
163.11234	2.2
165.07236	1.1
167.07045	3.3
167.10715	1.9
170.09428	1.3
171.10181	52.7
172.10512	2.7
175.11160	2.0
177.12762	2.2
183.10153	1.8
185.08131	2.6
185.11646	1.5
193.12257	11.5
199.13290	3.0
201.11220	15.1
211.09601	1.5
211.13348	3.5
213.11311	1.5
217.10794	1.5
219.13821	3.1
221.11671	1.1
225.14894	15.3
229.10771	3.9
237.14876	4.1
243.12268	2.0
243.15990	6.6
249.14943	2.2
251.12885	1.6
251.16594	5.6
253.14409	1.4
269.17575	18.1
276.14120	1.2
281.17490	2.0
289.18216	6.4
289.37430	1.1
299.18521	1.4
303.16049	1.6
321.17120	2.3
325.20395	1.3
339.18109	2.3
339.21729	5.3
342.03760	1.3
357.22797	100.0
358.23157	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	358.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26458	28.9
70.61496	100.0
128.13657	33.5
135.16153	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	359.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.4
59.01281	1.0
66.97446	0.3
69.03336	0.4
69.96161	0.3
70.92696	0.8
71.01289	1.4
71.04883	5.4
73.02850	0.4
79.95638	1.1
85.11839	0.3
91.46956	0.3
96.95928	0.9
97.06509	0.4
99.92479	0.6
101.02371	0.7
105.07039	0.4
111.04460	0.4
113.02393	0.3
116.92759	0.6
117.05456	36.1
118.05830	0.7
119.03411	0.8
123.08037	0.3
125.05943	0.6
133.02838	12.6
135.04408	8.8
136.04781	0.4
143.06964	0.3
151.07521	1.0
151.27364	0.3
161.02342	100.0
162.02692	4.3
163.03874	0.4
171.10168	3.6
172.10571	0.3
177.01878	0.4
178.02643	1.0
179.03409	10.7
180.07787	0.4
187.09544	0.3
191.05516	0.7
191.10611	0.3
197.11836	1.6
201.11212	1.5
202.11604	0.3
213.87579	0.3
215.00079	0.5
223.09698	0.5
231.10170	0.3
235.09544	0.4
257.08038	1.2
257.98251	1.0
258.96381	0.4
258.99173	10.2
279.08710	27.0
280.09064	1.8
287.16403	0.4
305.17572	0.6
315.15714	0.6
323.18509	0.6
358.35721	0.3
359.04086	10.5
359.07608	1.6
359.14673	0.9
359.20425	1.3
359.24106	0.4
360.04279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
59.01253	4.4
61.98680	1.2
70.08794	3.4
71.01247	3.0
72.99180	9.3
75.00780	0.6
85.02798	0.9
87.00736	0.8
89.02325	3.0
93.03334	1.8
97.06449	1.0
101.02322	1.8
107.04931	1.1
109.02831	2.7
113.02332	1.5
119.03396	0.8
121.02854	2.0
123.00784	2.2
123.04410	6.1
125.02359	0.8
126.36239	0.7
128.03432	0.7
134.03625	1.5
134.04604	1.3
135.04417	100.0
136.04744	3.8
137.02338	2.7
138.03163	3.5
151.03880	0.8
153.01820	1.3
153.05493	6.2
167.03421	0.9
173.04462	2.2
179.03392	5.3
181.04988	1.1
182.02104	1.9
191.05498	4.8
197.04459	18.8
198.04752	0.9
275.92850	0.7
297.09702	5.3
315.11023	1.1
323.09866	1.5
344.79330	0.6
359.05887	1.1
359.09857	12.7
360.10046	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1346
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.01735	0.3
57.03317	0.4
58.00452	1.2
59.01247	21.2
69.03311	0.9
69.78934	0.8
69.79348	1.1
71.01250	15.9
72.99169	1.3
73.02811	1.6
83.01247	1.2
83.04893	1.1
85.02815	3.5
87.00748	6.1
88.03911	1.7
88.96623	0.3
89.02310	12.6
91.05408	0.5
93.03340	2.5
95.01258	1.5
101.02316	7.8
107.04884	1.2
109.06465	18.4
110.06776	0.5
110.81888	0.3
111.00774	0.4
113.01602	0.5
113.02325	5.2
113.03522	0.5
115.00243	0.7
117.06961	0.7
117.58736	0.3
119.03384	3.9
119.13879	0.3
120.99538	1.6
124.01563	0.3
125.51286	0.3
131.03545	0.4
131.04485	1.8
132.02911	6.1
135.08043	57.1
136.08382	2.2
137.02321	0.4
143.03386	0.8
149.04381	0.6
153.05476	1.4
153.09105	43.8
154.09465	1.8
161.04465	0.9
173.11748	0.5
179.03433	0.8
179.05472	1.1
179.07056	2.3
191.05525	0.4
195.10127	0.3
197.04491	3.3
197.08109	100.0
198.08475	4.6
239.09143	0.5
271.10153	0.3
299.11203	0.4
359.13477	30.2
360.13718	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	359.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.9
59.98399	0.4
69.03325	0.6
69.58863	3.2
71.01254	2.9
73.02801	0.8
77.01472	0.4
83.04898	0.7
85.02835	2.3
89.02306	1.4
95.01250	0.5
97.02824	1.2
99.04384	6.5
101.02332	1.2
109.02869	0.8
111.04399	1.4
113.02325	2.4
120.05647	0.9
133.10158	0.8
135.04408	0.5
135.08046	4.6
141.01833	0.5
153.09109	34.2
154.09402	1.1
177.09167	1.4
179.06987	0.5
195.10187	2.9
197.08113	100.0
198.08473	4.7
207.06000	0.4
223.86980	0.4
229.09056	0.8
239.09155	8.0
240.09451	0.6
299.11151	0.6
359.13531	1.1
376.20380	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	359.1346
Annotation	Semperoside
Peak:m/z	Relative Intensity
57.03321	0.7
58.00457	0.9
59.01249	12.0
69.03323	2.6
69.40268	1.1
69.40681	3.9
71.01254	8.0
72.99152	1.1
73.02821	0.9
76.56918	0.5
78.12795	0.5
85.02821	3.2
89.02301	3.9
92.30985	0.5
95.01270	1.0
95.04850	0.6
98.20531	1.2
99.00764	0.8
99.04410	1.2
101.02296	2.6
110.75724	0.6
111.04395	0.5
113.02299	4.1
119.03374	1.5
120.05652	0.7
133.10129	0.7
135.08032	3.0
149.09673	0.9
151.07539	0.7
151.11269	0.7
153.09120	100.0
154.09473	5.0
160.05228	0.6
161.04468	0.6
167.10738	2.6
168.61259	0.6
177.09077	0.9
179.07033	1.9
185.00809	1.0
195.10191	2.0
197.08122	57.0
198.08406	2.6
239.09206	3.9
243.74408	0.6
317.19690	0.6
329.14032	0.8
359.13519	1.2
359.20786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07696	1.0
57.03323	4.5
59.01249	12.8
69.03341	1.4
70.88065	0.9
70.88399	2.7
72.99177	1.5
80.02527	1.4
94.73527	0.8
95.04892	1.3
96.70213	0.8
97.02820	9.6
98.03624	1.1
107.04878	1.6
109.63896	0.9
121.06448	1.6
123.04408	2.9
123.08058	14.0
125.09594	1.4
129.05417	1.0
141.12752	2.7
149.09615	5.1
151.07506	1.0
151.11241	1.2
159.37770	0.9
167.10707	2.6
169.12257	23.5
170.12610	1.1
174.99107	1.0
207.10190	2.2
209.11758	4.2
209.13626	1.0
217.00246	4.4
259.16928	6.1
261.18814	1.8
277.18002	11.1
305.17575	22.7
306.17950	1.4
323.18604	100.0
324.19052	7.5
359.28012	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	359.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07696	1.0
57.03323	4.5
59.01249	12.8
69.03341	1.4
70.88065	0.9
70.88399	2.7
72.99177	1.5
80.02527	1.4
94.73527	0.8
95.04892	1.3
96.70213	0.8
97.02820	9.6
98.03624	1.1
107.04878	1.6
109.63896	0.9
121.06448	1.6
123.04408	2.9
123.08058	14.0
125.09594	1.4
129.05417	1.0
141.12752	2.7
149.09615	5.1
151.07506	1.0
151.11241	1.2
159.37770	0.9
167.10707	2.6
169.12257	23.5
170.12610	1.1
174.99107	1.0
207.10190	2.2
209.11758	4.2
209.13626	1.0
217.00246	4.4
259.16928	6.1
261.18814	1.8
277.18002	11.1
305.17575	22.7
306.17950	1.4
323.18604	100.0
324.19052	7.5
359.28012	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	359.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80005	0.5
59.01244	23.9
69.01308	0.5
69.29249	6.3
70.05910	0.6
78.78627	0.6
94.80786	0.8
172.34572	0.6
198.99596	0.7
229.40361	0.6
277.21695	100.0
278.22049	7.8
359.22021	18.3
359.26370	1.4
360.22214	1.7
384.58505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.7
57.03318	1.9
57.13354	0.8
59.01249	11.8
59.84528	0.6
64.86880	0.6
67.01737	0.8
69.03308	1.2
69.75193	1.4
69.75609	3.3
70.53526	0.6
71.01255	9.5
72.99194	1.9
73.02824	4.2
74.98970	0.7
83.01260	1.2
85.02820	4.3
87.00755	3.8
87.04397	1.7
89.02316	4.8
93.03335	3.9
95.01264	1.2
95.04942	0.7
101.02316	4.0
107.04887	0.7
111.04373	1.1
111.08076	1.5
113.02338	5.5
118.97964	0.7
119.03392	1.3
120.99509	1.5
131.03418	0.6
133.02846	1.3
134.03613	0.6
135.04362	3.2
135.08023	2.2
137.09616	16.9
152.04655	0.9
155.10678	100.0
156.11002	3.5
161.04462	1.3
165.05481	1.2
169.12256	1.5
173.04451	1.4
176.03926	1.0
177.01942	0.7
179.03444	2.3
181.08633	4.7
191.05486	4.1
199.09689	88.6
200.10020	3.5
211.06030	1.1
213.11337	1.2
241.10789	6.1
248.89211	0.7
273.90100	0.6
281.06583	4.2
315.08417	0.8
343.08374	0.8
361.09552	2.5
361.15234	3.5
361.22455	4.0
377.15659	0.6
384.97720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	Suspensoside A
Peak:m/z	Relative Intensity
57.03312	0.7
59.01243	3.0
60.01721	0.3
71.01257	2.4
71.07404	0.7
72.99164	0.4
73.02811	2.8
85.02811	1.9
87.00718	0.4
87.04381	2.2
89.02319	1.0
93.02131	0.3
95.01277	0.9
97.02829	0.4
99.04402	0.4
101.02323	1.6
111.85709	0.3
113.02308	3.0
129.88809	0.3
135.04469	0.5
135.08037	1.3
137.09615	10.9
138.09999	0.5
139.11157	0.5
155.10677	100.0
156.11023	3.6
169.12210	0.9
171.19144	0.3
181.08675	1.6
187.77898	0.3
191.05602	0.5
199.09683	85.8
200.10030	4.0
208.23729	0.3
213.11217	1.1
241.10779	5.8
361.14957	1.1
361.22244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1502
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.03298	0.4
57.54736	0.4
59.01250	5.7
70.14902	0.4
70.72726	0.8
70.73084	0.6
71.01247	3.8
73.02819	2.1
76.63617	0.4
82.18567	0.4
85.02842	1.2
87.04391	0.7
87.38722	0.3
89.02313	3.2
95.01287	0.4
101.02323	1.7
110.87936	0.4
110.93846	0.4
112.88372	0.4
113.02322	2.7
115.00240	0.4
116.80750	0.5
119.03371	0.8
133.01378	0.7
135.08035	1.4
137.09615	12.9
143.03482	0.4
155.10677	78.6
155.73582	0.3
156.10973	3.0
169.12231	0.6
170.64653	0.3
179.05550	0.5
181.08565	2.8
198.43835	0.4
199.09680	100.0
200.08420	0.6
200.10051	5.1
213.11282	0.5
241.10767	4.7
266.44299	0.4
319.21121	0.8
361.15009	2.1
361.22464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37643	0.7
59.01237	2.9
70.66695	2.3
71.01246	3.0
71.77361	0.6
73.02823	2.2
85.02811	1.5
87.04362	1.8
101.02335	1.1
108.88294	0.6
113.02328	3.2
135.08041	1.2
136.98987	0.7
137.09613	9.5
137.72482	0.7
142.23021	0.6
155.10677	77.7
156.10985	2.5
169.12263	0.9
181.08612	2.6
181.88428	0.7
191.05591	1.7
199.09683	100.0
200.09932	4.5
213.11334	1.5
232.04935	0.8
241.10738	4.3
361.14987	1.9
361.22266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1657
Annotation	Gibberellin A124
Peak:m/z	Relative Intensity
59.01246	1.7
70.10763	2.8
71.04891	31.1
72.66514	0.5
80.63519	0.6
87.04373	1.1
91.86921	0.6
96.95875	1.6
99.04393	100.0
100.04709	3.1
115.03887	13.9
116.04263	0.6
171.08151	1.2
172.08865	1.4
176.03859	0.7
185.09583	0.7
187.11200	53.8
188.04668	2.0
188.11520	2.9
191.05479	2.6
191.43820	0.6
199.11215	15.2
200.11563	0.8
201.05534	0.7
204.07822	0.9
209.11768	1.2
215.10709	1.3
217.12286	18.1
218.12675	1.4
264.06311	1.8
269.15292	1.1
287.16534	24.9
288.16852	2.3
299.16507	9.3
317.17566	41.8
318.17896	4.1
333.17303	0.7
361.16537	74.4
362.16821	9.2
379.12933	1.3
379.17572	16.4
380.17914	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	361.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87919	1.0
51.92300	1.0
55.73594	1.1
57.03315	2.1
59.01245	4.8
60.62695	1.1
70.04567	5.6
78.52363	1.1
80.02567	1.2
80.15853	1.0
87.22630	1.1
95.04881	1.2
98.03600	4.7
98.19884	1.5
102.89223	1.0
103.75232	1.0
113.09611	3.5
117.06992	18.9
123.04460	1.5
123.08112	1.2
125.09618	4.0
141.27733	1.2
147.63913	1.1
151.11169	20.3
151.12262	1.7
153.09117	3.5
169.12242	13.6
174.99191	1.4
185.32307	1.3
202.98694	2.4
209.11768	6.1
210.12180	1.3
217.00247	3.2
217.74438	1.1
225.77298	1.2
261.18567	4.9
263.19965	1.3
269.15350	1.9
279.19623	12.3
287.16486	5.2
307.19110	14.7
307.22223	1.8
308.19220	1.6
318.52322	1.1
325.20175	100.0
326.20465	7.1
361.16083	1.5
361.20258	20.7
381.69778	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	361.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29154	4.8
59.01249	32.4
61.98693	6.5
65.33545	4.8
69.87527	9.5
69.87927	25.5
71.01241	19.8
100.85485	5.6
109.06466	7.2
121.02732	5.6
128.19487	5.5
158.98927	5.0
174.99147	8.7
202.92740	5.3
202.98683	12.4
207.10321	9.9
217.00180	13.3
277.03894	13.6
279.19675	9.9
282.53745	4.8
301.17822	7.4
318.34045	4.8
345.10016	6.7
361.13248	100.0
361.18027	5.5
362.13370	16.9
379.14221	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
70.42892	47.9
70.43295	47.1
71.01248	66.0
80.34697	26.8
83.04920	27.9
85.02802	27.6
132.63797	23.7
137.09633	53.1
139.11211	51.3
159.46802	23.9
169.12144	28.0
171.10255	27.6
187.79663	32.7
197.11684	26.0
201.11249	40.5
202.98740	44.1
207.10146	36.2
215.12798	54.3
215.85208	31.2
225.11295	71.4
229.14474	28.9
307.19083	39.3
325.20166	50.9
349.31235	26.2
361.27469	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	361.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98701	27.3
70.20358	47.1
71.01242	55.1
75.13963	12.9
109.06434	24.7
124.71363	12.6
137.09592	17.9
139.11165	17.8
160.97557	21.0
162.59526	16.4
170.43877	18.6
174.99150	42.0
175.40904	14.6
176.20953	15.2
201.11195	19.5
202.98651	57.1
207.10294	18.5
213.11154	14.7
215.12712	38.3
217.00256	34.1
225.11377	34.0
289.17886	15.0
307.19025	31.1
315.19614	43.5
325.20169	27.8
327.22141	20.3
342.86731	17.4
360.06131	15.0
361.19650	14.0
361.27460	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	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.4
57.03336	1.9
57.03574	0.4
58.00454	1.0
59.01249	16.0
69.39055	3.8
69.51743	0.4
71.01253	16.8
71.04877	0.6
72.01587	0.4
72.55962	0.3
72.99168	0.9
73.02815	2.8
73.52378	0.3
77.30538	0.4
83.01254	3.0
85.02823	6.2
85.99979	0.6
87.00732	1.3
87.04403	0.8
89.02318	3.9
95.01251	1.3
97.02808	0.5
98.19717	0.9
99.00755	1.0
99.96504	0.4
101.01688	0.7
101.02319	7.8
113.02344	4.8
115.00262	0.9
117.27089	0.4
118.00462	0.4
119.03370	1.4
125.02274	0.5
133.01321	1.3
137.09599	1.3
153.12741	1.3
155.10687	3.4
161.04439	0.5
181.08537	0.5
181.12299	2.6
199.09767	3.5
199.11353	0.8
199.13326	15.2
200.13689	0.7
209.11790	0.4
213.11179	0.4
241.10651	1.2
343.17596	3.0
361.18665	100.0
362.19019	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	361.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90996	0.6
59.01248	20.5
61.55236	0.5
64.49579	0.6
65.21718	0.7
77.14043	0.6
110.14721	0.6
125.65511	0.6
195.00005	0.7
198.54526	0.6
279.23273	100.0
280.23618	8.4
361.23572	15.4
362.24005	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	361.2746
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
51.74855	0.2
54.57388	0.2
59.01243	1.0
61.73949	0.2
71.01236	0.5
96.14837	0.2
96.95899	0.2
103.44837	0.2
174.99123	0.2
202.92833	0.4
202.98663	0.4
207.10242	0.3
217.00366	0.3
361.27441	100.0
362.27768	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	363.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.4
59.01250	27.1
65.99695	1.9
71.01257	19.4
72.99197	3.2
73.02812	2.6
74.34324	1.4
75.00751	3.3
82.02852	41.0
83.01250	5.6
85.02825	15.6
87.00752	4.2
89.02318	12.8
94.02866	3.8
95.01247	5.4
99.00743	4.6
99.04395	6.1
101.02321	13.9
108.04420	2.3
108.39562	1.6
113.02329	16.7
113.05972	5.4
117.90896	1.5
119.03407	3.9
121.01570	2.6
122.06023	6.9
131.03403	1.6
132.21541	1.6
136.03938	25.7
136.07581	2.9
138.05492	5.5
152.03383	1.8
161.04543	1.7
163.31706	1.3
164.03433	48.3
165.03897	1.5
171.10187	1.7
176.06918	1.9
181.20068	1.6
182.04491	3.8
183.10172	5.6
188.07153	1.8
194.04520	29.4
195.05235	7.3
196.06082	28.1
201.11227	4.2
202.08711	3.7
204.06525	2.1
242.10638	2.5
244.09749	6.1
245.09334	4.3
249.06081	2.6
257.13019	9.6
258.06284	2.4
259.07108	3.5
259.10919	3.0
267.07181	16.1
269.09250	2.3
270.07632	5.7
271.07205	5.0
273.92743	1.8
287.10352	100.0
288.10605	4.6
313.08234	2.9
319.12952	1.9
331.09305	37.9
332.09579	3.6
363.12436	12.1
363.16586	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99477	3.9
59.01254	6.6
65.99709	3.0
69.34268	14.3
71.01256	5.4
74.98972	10.8
82.02857	30.4
83.01245	3.5
87.00768	4.8
94.02877	2.5
99.00826	1.6
101.02339	1.7
103.12577	1.5
119.03368	1.6
121.01576	1.9
122.02428	2.1
122.05993	5.9
125.83054	1.5
136.03943	26.2
136.99037	6.1
141.09120	7.1
152.03409	1.7
161.71767	1.3
164.03439	36.9
176.07086	1.6
177.10255	1.5
178.08752	1.5
182.04521	3.3
183.10130	2.9
191.05595	1.7
194.04514	21.5
195.05228	5.5
196.06078	25.1
202.08698	3.1
202.38564	1.6
204.06706	2.1
205.12338	1.6
222.57957	1.5
231.07709	3.6
236.54715	1.4
244.09596	6.8
245.09404	3.5
248.05545	1.5
258.06339	3.1
270.07730	4.0
271.07181	5.0
276.12778	1.7
287.10352	100.0
288.10706	7.4
303.88943	1.6
313.08383	3.2
319.12851	3.5
331.09326	34.1
332.09775	1.8
363.11340	1.7
363.15103	16.7
363.23944	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	363.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43663	1.0
53.94015	0.9
56.97898	2.9
57.03326	1.3
58.99472	14.1
59.01250	7.9
63.96098	1.6
65.99719	1.4
66.70692	0.9
69.41159	1.5
69.41562	7.5
71.01268	5.4
72.99178	4.0
73.02829	1.5
73.98198	1.2
74.98969	27.2
82.02850	28.8
82.03314	2.0
83.01244	3.2
83.38425	0.9
85.02828	3.2
87.00745	12.6
89.02303	3.2
93.03359	1.4
94.02860	2.4
97.06462	2.4
98.03612	5.0
101.02306	4.8
109.08356	1.0
113.02323	2.7
113.06003	1.6
119.03300	2.0
120.99523	1.0
121.03173	1.3
122.02335	1.9
122.05986	3.2
123.08052	7.2
125.00568	2.0
135.98248	1.2
136.03937	21.8
136.07602	1.2
136.99026	18.5
138.05489	1.3
141.09114	18.1
150.05359	1.0
158.03931	1.3
161.07063	1.5
164.02034	1.9
164.03429	33.3
179.10692	3.7
182.04460	3.0
183.10188	3.3
191.05582	1.4
194.04509	21.8
195.05315	5.7
195.08328	1.4
196.06068	26.6
201.11322	2.1
202.08664	2.4
203.12811	1.9
204.06563	1.5
205.12241	3.2
216.46031	1.0
228.06807	1.2
231.07773	2.8
239.11046	3.8
244.09735	5.2
245.09348	3.9
257.12033	4.1
258.06378	2.2
259.11050	1.8
267.07068	1.2
270.07660	5.7
271.07303	3.0
275.13083	1.4
281.56616	1.2
287.10345	100.0
288.10745	8.1
313.08347	2.2
319.12881	2.3
331.09308	40.4
332.09738	3.6
345.13617	2.9
363.14853	66.8
364.15167	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.7
57.03321	2.7
58.00465	2.7
59.01249	47.1
69.34025	4.7
69.34444	6.3
71.01251	35.0
71.17338	1.3
72.99162	5.5
73.02832	6.8
83.01267	5.0
85.02818	12.5
87.00743	2.7
89.02316	26.1
91.36276	1.0
95.01260	2.6
96.95860	1.2
97.45420	1.1
99.00747	2.3
101.02324	22.7
113.02322	14.5
113.05955	1.5
119.03384	13.4
136.07562	1.8
138.05501	3.1
155.10606	1.4
159.02908	1.0
161.04471	5.1
162.05563	1.2
165.09241	2.0
171.10213	3.7
179.05592	5.5
183.10194	12.2
188.51703	1.2
191.05499	1.5
194.81169	1.1
201.11275	10.9
219.04495	1.1
227.08145	1.5
242.10422	1.3
248.41644	1.4
257.12930	10.3
275.31342	1.5
345.15491	3.2
360.96161	1.2
363.16599	100.0
364.10062	1.5
364.16977	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	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.7
57.03312	1.8
58.00464	0.7
59.01248	13.9
71.01250	12.3
71.04876	0.5
71.58624	0.7
72.99179	12.3
73.02820	5.0
83.01264	3.2
85.02814	5.6
85.99991	0.7
87.00757	0.9
89.02303	4.7
95.01264	1.0
99.00743	1.6
101.02315	11.0
111.00730	0.8
113.02339	4.6
119.03369	2.6
137.09569	0.3
139.00258	0.5
149.28099	0.4
155.10634	0.9
159.02882	0.4
161.04434	0.9
165.05490	0.4
183.10182	4.0
191.05440	0.4
201.11293	3.3
234.48686	0.4
317.16077	0.6
345.15555	1.5
363.16577	100.0
364.16983	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	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88875	0.5
55.01749	1.6
57.03303	1.0
57.47810	0.5
59.01245	14.7
68.02078	0.5
69.03320	0.5
69.94109	0.5
70.75043	0.8
70.75394	1.1
71.01251	12.1
72.99178	13.0
73.02814	4.9
74.30784	0.5
83.01244	2.8
85.02824	6.5
85.99978	0.6
87.00751	1.7
89.02325	4.4
95.01283	0.9
99.00753	1.6
101.02324	11.4
102.02672	0.6
103.14671	0.5
111.00756	0.9
113.01556	0.8
113.02315	4.9
119.03377	1.7
139.00259	1.1
155.10638	1.2
161.04466	1.1
169.91151	0.6
183.10107	3.8
201.11232	2.7
317.15710	0.8
322.80640	0.6
345.15506	2.0
363.16583	100.0
364.16983	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	363.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.5
64.33250	1.8
65.92245	1.6
69.86546	9.3
71.01247	2.4
74.20429	1.6
94.99644	1.5
96.95909	6.4
98.20506	3.3
100.97926	1.7
117.99883	1.6
120.10622	1.7
129.91647	1.6
134.55161	1.6
135.08078	3.8
137.09615	7.6
141.09108	68.3
153.09128	5.9
155.10677	100.0
156.11055	5.0
171.10175	23.7
181.08656	1.7
193.08372	10.1
195.09979	9.5
199.09683	84.6
200.10010	4.3
203.06842	28.9
221.07887	89.4
222.08330	3.1
239.08969	16.0
335.18393	5.0
363.17917	58.9
363.21616	3.6
363.25555	5.2
364.18335	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	363.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59739	4.5
56.93156	5.3
57.03321	10.3
71.59290	4.8
82.92956	5.2
88.97283	5.4
119.71301	4.8
125.09530	5.4
201.11259	47.6
213.11211	27.3
279.25711	5.0
290.09601	4.9
309.20688	8.6
327.21738	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	363.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
62.23841	3.3
67.72839	3.9
70.16579	8.0
70.16969	9.0
71.19971	3.2
71.33747	3.3
96.95876	12.6
98.19899	4.1
152.83032	3.7
166.55063	4.3
171.10155	11.0
267.80154	3.4
277.21701	20.2
279.20032	3.6
295.22742	55.9
296.23154	5.3
317.20914	8.8
363.21460	24.2
363.25302	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1027
Annotation	Puerarostan
Peak:m/z	Relative Intensity
59.01322	3.6
62.19566	0.5
66.71810	0.6
69.74792	3.5
78.05535	0.7
88.86539	0.6
96.95962	0.8
107.04992	0.6
110.31814	0.6
121.02946	1.0
125.09707	1.7
133.02963	1.1
143.10776	1.0
147.04506	1.0
148.21422	0.6
159.04552	0.9
171.04518	0.9
173.05928	0.8
185.05904	3.0
187.04036	1.3
187.07797	0.7
193.08345	4.2
196.05212	1.1
199.03955	3.2
201.02551	2.1
201.11366	0.8
214.06267	7.4
214.38120	0.7
224.04826	1.2
233.06200	0.8
235.01979	0.7
235.07651	2.3
246.06969	2.8
247.07640	0.8
248.04767	1.4
249.05661	2.8
250.06013	1.1
259.07672	1.1
260.08310	1.0
261.05563	3.3
262.06281	7.2
263.04016	1.1
263.07095	19.8
264.04675	1.5
264.07880	4.1
265.05029	1.5
274.06250	3.3
274.10144	0.8
275.07126	1.7
275.10852	2.2
276.04178	0.6
277.05063	2.9
277.08734	7.8
278.06049	1.2
278.09433	2.2
279.06668	2.8
279.10553	1.6
288.07928	2.4
289.05209	2.3
290.05856	5.7
290.08719	1.1
291.06650	12.3
291.10229	2.9
292.03815	6.3
292.07336	2.5
292.10529	0.7
293.04538	8.5
293.07990	1.1
293.11786	4.8
294.05023	1.0
303.06595	3.2
303.10263	5.3
304.07306	2.0
304.10504	0.7
305.04495	2.7
305.07874	0.8
306.05368	6.2
307.06110	5.1
317.04727	3.0
318.05087	1.0
319.09662	2.3
321.07681	100.0
321.11218	8.4
322.08029	8.8
322.11456	1.4
327.15695	1.4
329.23267	1.6
335.05573	1.8
336.06506	1.4
338.04309	2.2
347.09238	1.7
365.10242	65.2
365.22787	1.4
366.10635	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	365.135
Annotation	Semilepidinoside B
Peak:m/z	Relative Intensity
51.10817	0.6
59.01242	1.9
59.71064	0.5
71.01248	2.1
71.34726	1.0
71.35091	1.1
72.00776	10.5
73.02814	1.7
74.02337	12.3
74.99482	0.5
83.01230	1.4
85.02808	1.3
97.67146	0.6
99.00729	0.8
101.02323	2.9
113.02328	0.7
116.04938	49.7
117.05262	1.4
130.06519	2.0
132.08015	0.6
142.06525	15.1
143.06911	0.8
159.09169	13.7
160.02707	0.9
160.03947	11.2
160.21150	0.6
185.07104	1.6
186.05476	2.0
193.06383	0.7
203.08186	68.2
204.08543	3.6
284.22052	0.6
287.10242	0.8
359.28589	0.6
362.63531	0.7
365.13483	100.0
366.08606	1.8
366.13800	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
57.03312	0.9
59.01249	6.1
67.01749	1.2
68.99675	0.8
69.03321	0.6
71.01254	4.7
71.58937	0.3
72.99177	0.6
73.02814	3.6
74.98972	0.8
75.00732	0.3
83.01250	1.1
85.02820	5.8
85.99981	0.5
87.00747	2.5
89.02309	0.9
91.03859	0.3
95.01256	1.1
97.02815	0.3
99.00740	1.0
100.01560	0.3
101.02302	1.4
101.05956	100.0
102.06275	2.0
111.00759	1.9
113.02332	5.5
113.52896	0.2
119.03378	0.3
129.01793	0.7
139.00255	1.0
141.01826	0.5
142.06548	0.4
143.03371	0.3
144.04384	0.3
146.47453	0.2
157.01332	0.7
161.04414	0.6
189.03984	0.5
191.05585	0.5
204.06454	0.3
205.07181	1.2
227.28561	0.2
231.05083	0.6
263.07678	5.0
281.09000	0.2
290.90384	0.2
333.11844	1.3
347.11789	0.2
365.14435	19.9
365.18231	4.3
366.15253	1.3
366.18805	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	365.15
Annotation	Scandine N-oxide
Peak:m/z	Relative Intensity
59.01248	15.3
59.71984	1.9
67.29247	1.9
71.01240	2.4
71.59161	3.1
75.40660	2.0
81.03307	5.4
83.01231	4.7
87.61000	2.4
88.75494	1.8
95.04904	2.8
96.95899	3.5
97.06463	5.5
100.66986	2.0
101.02205	2.8
123.04382	3.1
125.09605	9.5
135.08072	2.7
137.09607	7.8
159.85847	2.4
161.09575	2.5
163.11224	7.8
165.12653	2.4
179.10638	2.5
183.77551	1.9
185.11755	5.7
191.14386	3.3
201.02528	5.2
207.10071	5.7
209.11740	43.3
210.12083	4.1
214.42523	2.2
225.11333	2.4
231.09999	25.1
233.11444	2.6
240.63307	2.1
243.22183	2.4
245.19154	13.0
267.07681	45.3
268.08090	3.8
289.18109	29.0
291.19690	16.6
303.47208	2.1
307.19122	16.9
329.17264	6.0
341.15359	2.7
365.15009	100.0
365.22864	15.6
366.15350	9.2
381.61209	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	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
57.03316	1.5
58.00452	0.5
59.01249	14.7
63.89296	0.3
68.99681	0.3
69.03342	0.4
71.01251	11.9
71.58348	0.5
72.01600	0.5
72.99173	1.3
73.02818	2.9
80.70192	0.3
83.01261	2.7
85.02821	6.2
85.99968	0.7
86.03152	0.4
87.00748	1.8
89.02312	5.7
95.01266	0.9
97.02838	0.4
99.00747	1.4
101.02318	10.8
101.05956	7.3
111.00756	0.7
113.02326	5.3
113.09654	0.3
115.07536	0.4
119.03382	2.1
127.11152	0.3
129.01859	0.4
130.06529	0.4
139.00221	0.3
139.11221	0.6
141.01852	0.4
141.09119	0.4
142.06517	1.3
155.10640	0.9
157.12250	5.5
159.02864	0.4
161.04446	0.6
185.11769	2.2
186.05525	0.9
191.05586	0.6
199.13280	0.9
203.12807	15.1
204.13147	0.9
231.51901	0.3
245.13879	0.6
347.17093	0.9
365.18124	100.0
366.11780	1.3
366.18478	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	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59565	0.3
52.02100	0.3
55.01748	1.8
57.03315	1.5
58.00463	0.7
59.01249	19.5
61.94510	0.3
69.45798	2.9
71.01250	14.5
71.04875	0.9
72.99178	1.3
73.02810	4.6
83.01260	3.2
85.02817	7.3
85.99935	0.8
87.00752	1.1
89.02310	6.6
95.01255	1.1
98.19828	0.7
99.00744	1.9
101.02318	14.1
101.05961	1.0
102.02670	0.3
111.00732	0.6
113.02321	5.6
119.03371	1.6
120.21159	0.3
127.11156	1.5
129.01909	0.4
139.11162	1.2
142.00533	0.3
143.03400	0.4
151.28374	0.3
157.12242	7.5
158.12622	0.4
161.04411	0.9
171.13881	0.4
185.11745	3.0
199.13365	0.4
203.12805	18.8
204.13161	1.1
227.12842	0.4
245.13791	0.4
257.14001	0.4
333.50754	0.3
334.82913	0.3
347.17041	0.9
365.18109	100.0
366.13843	0.6
366.18475	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	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.0
55.22077	0.6
57.03323	1.1
58.00462	1.1
59.01251	21.9
61.90963	0.6
69.51778	1.8
69.52204	4.7
71.01245	18.2
72.99169	2.6
73.02812	4.4
75.00741	2.3
75.32835	0.7
79.82425	0.8
83.01254	3.3
85.02821	9.2
86.58783	0.7
87.00767	3.5
89.02305	7.0
95.01276	1.5
98.20606	1.2
99.00768	5.0
101.02319	12.5
111.08013	0.7
111.76985	0.7
113.02320	9.1
115.07535	9.5
119.03384	2.3
119.85495	0.7
139.11191	3.0
142.60225	0.6
150.98552	0.7
151.96805	0.7
157.12250	3.7
161.04488	1.2
171.19272	0.8
185.11734	7.3
203.10854	1.2
203.12762	8.8
204.13168	0.9
365.14435	5.2
365.18158	100.0
366.18497	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	365.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62661	24.7
59.01240	100.0
60.99606	23.0
77.85740	23.5
79.55716	24.0
90.47421	26.9
147.85051	25.3
175.88213	27.8
229.20110	27.7
283.26508	33.0
295.98914	25.2
351.14490	31.3
365.26581	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	365.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
59.01246	1.5
66.16725	0.3
66.28088	0.3
70.10219	1.3
71.04877	0.4
73.20624	0.2
73.66376	0.3
83.04887	0.3
96.95879	0.3
98.20485	0.4
99.04321	0.3
99.82576	0.3
153.12750	0.4
155.14302	0.9
163.11215	0.8
165.12747	2.7
181.12230	1.6
199.13322	29.6
200.13655	2.0
201.02522	0.4
283.26361	0.4
312.94781	0.3
347.25909	5.1
348.26474	0.6
365.26929	100.0
366.27252	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	365.2693
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
51.46955	0.3
53.64393	0.3
54.32885	0.3
59.01244	0.5
69.71932	2.1
83.04936	0.3
85.06461	2.7
108.59358	0.3
110.39161	0.3
145.81354	0.3
157.80797	0.3
199.13327	1.5
261.18594	0.9
279.19629	18.8
280.20047	1.3
320.72873	0.3
347.25854	5.9
348.26212	0.5
363.25333	0.6
365.26923	100.0
366.27237	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	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
56.12418	0.4
58.76683	0.4
59.01127	3.2
59.01448	1.2
69.85886	1.4
69.86295	0.9
72.56196	0.3
82.16393	0.4
82.86255	0.4
96.95745	1.0
98.20441	0.7
123.04298	0.5
130.83673	0.4
137.05862	0.6
165.09003	0.7
179.10591	0.9
179.14218	0.5
201.02298	1.3
259.20685	0.6
261.14780	0.5
283.26135	0.6
303.26868	2.6
304.26721	0.4
329.24460	1.1
347.25861	100.0
348.26193	10.8
365.26947	27.6
366.27264	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	365.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39799	0.4
59.01146	2.9
59.01477	0.9
66.74241	0.4
69.36351	1.1
69.36765	2.6
71.01183	0.5
93.59969	0.5
96.95766	1.2
126.93442	0.4
133.06387	0.4
137.05911	0.9
151.07361	0.5
165.08989	1.2
167.10435	0.4
179.10527	1.4
181.12083	0.4
200.94075	0.4
201.02451	2.0
221.11517	0.5
223.09425	0.5
231.17328	0.5
242.61972	0.4
259.20529	1.0
261.14856	0.5
267.07745	0.5
275.16382	0.4
277.17999	0.5
279.19592	0.4
291.19855	1.0
296.87756	0.5
303.26889	1.9
307.18869	0.8
315.12143	0.4
327.16013	0.5
329.17184	1.5
329.24661	0.8
347.25867	100.0
348.26208	11.3
365.26935	37.3
366.27319	4.1
379.27457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94294	0.3
59.01250	5.7
61.33900	0.3
67.01751	0.7
68.99629	0.3
71.01247	0.7
71.58392	0.5
75.28402	0.3
85.02815	1.4
87.00742	1.3
93.03333	4.5
99.00760	0.4
101.02306	0.7
111.04385	0.8
113.02353	0.5
117.03321	0.4
134.03598	2.2
137.02304	0.5
144.04449	100.0
145.04810	4.5
158.06030	0.6
173.04477	6.4
174.02675	0.3
186.05461	0.3
191.05536	15.3
193.05005	1.5
206.75493	0.3
239.05016	0.3
265.97369	0.3
306.06656	0.5
306.09866	6.0
307.10333	0.3
366.18344	0.7
367.10141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68351	0.4
55.55256	0.3
58.33498	0.4
59.01245	2.2
70.46354	1.3
91.05405	0.4
102.03391	0.6
104.04937	1.6
105.06997	0.7
106.06463	0.4
120.04438	1.5
121.02856	0.6
130.06544	0.5
132.04439	2.8
146.06010	3.8
147.89178	0.4
148.07578	54.2
149.07954	2.5
164.03415	0.7
175.11163	0.4
186.59355	0.4
224.71432	0.4
233.19141	0.9
246.17010	0.4
366.24338	100.0
367.24670	13.0
367.29343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.1
59.01250	8.8
60.99181	2.2
67.01761	9.2
69.03323	2.7
71.01254	7.4
71.45165	0.9
72.99174	0.8
73.02827	2.2
76.46634	0.7
81.03334	1.6
83.04893	1.7
85.02811	6.1
85.03238	0.6
87.00756	9.0
89.02311	1.2
89.03857	0.7
89.36642	0.7
93.03333	53.8
94.03667	1.8
99.00767	2.2
99.04398	1.3
101.02330	2.6
109.02856	1.8
111.00785	2.2
111.04403	8.4
113.02325	1.3
117.03398	3.3
121.02831	1.1
127.03887	2.5
129.01804	1.3
134.03624	28.3
135.04034	1.1
137.02316	6.2
144.04430	1.3
145.04839	1.0
146.06013	3.9
149.02310	1.2
149.05983	2.2
155.03363	5.2
160.04033	1.0
162.05583	0.7
167.38348	0.7
173.04466	100.0
174.04797	4.0
189.12839	0.8
191.05533	94.8
192.05835	3.9
193.01271	0.8
193.04970	20.4
194.05287	1.1
367.10281	6.7
367.18307	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	367.1182
Annotation	Gancaonin W
Peak:m/z	Relative Intensity
51.14004	1.7
59.01249	15.7
68.63633	2.0
71.01237	2.7
71.13841	2.6
71.14201	4.6
93.03304	3.2
96.95898	2.5
97.06462	2.5
107.04899	36.0
109.02843	6.0
119.04887	5.1
121.02821	6.6
124.01527	6.7
127.18900	2.1
131.04918	4.8
134.03598	4.2
135.04411	18.7
143.04944	3.8
146.03586	15.4
147.04398	7.4
149.06000	12.1
150.03105	3.6
151.03931	13.6
151.07570	3.1
157.06471	2.5
158.03691	4.3
159.04422	43.1
160.05145	3.5
171.04414	6.1
172.05223	15.7
173.05988	46.5
174.03096	4.0
175.07555	14.1
176.07877	2.0
182.02090	7.4
185.05940	4.4
187.03928	28.3
187.07570	59.6
188.04390	2.4
188.08330	11.2
193.04901	4.0
197.06052	4.3
198.06831	2.3
199.04025	2.2
200.04706	4.5
201.05498	68.7
202.06061	4.3
202.98544	2.0
203.07043	3.4
215.07065	30.8
216.07860	93.5
217.08311	5.0
224.04750	4.8
225.05556	14.8
226.05945	2.3
232.03877	2.4
238.06334	6.9
239.07034	3.5
247.07506	2.8
249.05408	6.0
250.06235	13.4
251.07127	25.8
251.09737	3.0
251.10703	2.6
261.05576	6.1
262.06274	3.2
263.07092	7.1
264.07840	10.6
264.30734	2.0
265.08694	33.2
266.09271	5.1
267.10114	8.3
270.05344	16.1
275.07144	22.5
276.07813	12.3
277.04935	3.7
277.08575	4.9
279.10236	58.5
280.10614	5.6
290.05920	4.6
290.09268	3.1
291.06497	7.3
293.08167	11.1
293.11148	2.5
294.08887	10.6
295.13339	3.5
296.06793	4.3
298.07257	3.6
303.10120	7.5
305.08182	11.7
305.11780	46.6
306.08743	3.5
306.12180	4.8
320.06470	2.5
321.11227	10.5
323.09256	5.7
323.12817	50.4
324.13177	3.5
329.22208	2.3
331.09756	5.7
349.10767	43.1
350.10889	3.8
367.11783	100.0
368.12177	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	367.1652
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01245	15.9
70.79404	3.7
71.58797	4.1
97.89717	3.1
111.08025	9.5
121.02830	6.6
125.43811	3.0
139.19131	3.1
169.12257	4.6
175.70110	3.5
197.11716	40.5
198.12151	3.4
211.13354	4.3
219.09938	6.1
269.07971	11.5
282.38272	3.5
291.19653	9.8
302.13373	3.8
309.20734	33.3
331.18948	3.6
351.91595	3.2
366.08157	3.9
366.26453	3.7
367.16528	100.0
368.16605	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	367.1654
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01257	9.1
69.03326	3.1
84.93502	1.8
93.35164	1.9
97.02845	3.0
109.06472	2.7
111.08019	10.7
121.02828	2.7
124.16354	1.6
137.09590	4.3
169.12283	2.1
171.10168	8.1
193.08356	3.0
194.17470	1.7
197.11760	29.9
199.00108	2.7
204.21599	1.7
209.11794	1.7
211.13388	4.3
217.00209	2.0
219.09921	8.4
220.98642	1.8
229.14540	2.2
262.11905	4.6
262.37219	2.0
269.08148	2.7
291.19608	11.0
293.21024	8.9
309.20651	44.1
310.21140	3.7
323.12823	2.5
324.17224	1.8
331.18863	8.5
344.70828	1.9
367.16501	100.0
368.16846	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	367.1651
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
54.55287	1.1
57.03313	2.6
59.01241	6.0
67.27741	1.2
68.05695	1.4
69.25188	15.6
72.92453	1.4
80.02551	1.2
83.04895	11.2
84.02020	2.3
95.04868	1.6
97.06468	1.5
99.08053	2.7
109.06456	1.5
113.09613	8.9
115.07568	1.4
119.61839	1.3
123.04421	2.5
125.09610	2.0
127.11177	1.2
137.09619	19.0
139.11197	5.0
151.11215	1.5
153.09171	1.5
154.24254	1.5
155.10690	11.8
167.10718	2.1
171.10159	16.2
173.07291	4.6
193.08434	6.3
193.12244	6.1
195.39857	1.3
207.10097	1.8
225.05516	3.2
229.06061	5.6
233.11517	2.7
247.20769	1.6
263.20166	2.2
265.21725	2.6
275.20270	1.8
291.19644	17.5
291.24994	1.5
293.21191	35.1
294.21780	1.9
309.20685	31.7
310.20999	3.5
319.19098	2.1
331.18872	22.5
367.16565	100.0
368.16885	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	368.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00985	0.6
59.01251	7.4
60.80448	0.4
67.01765	3.3
69.03324	100.0
70.03654	1.7
71.01251	1.3
71.59036	0.4
72.99169	0.6
73.02779	0.4
73.38843	0.4
76.17636	0.4
82.81821	0.4
82.95267	0.3
83.01279	0.4
84.04430	1.2
85.02821	3.2
87.00734	0.8
89.02319	1.3
93.03331	1.2
95.04894	0.4
96.95878	0.4
97.06492	0.4
99.04399	1.7
101.02325	1.6
102.98470	0.5
109.02855	0.5
110.05978	0.7
111.04374	0.4
122.02354	3.0
123.04372	0.8
124.03899	0.7
128.03448	3.7
133.02841	0.9
135.04355	0.6
136.07518	0.4
146.05978	2.5
151.03925	0.7
161.02324	0.7
173.04485	0.7
174.05534	5.6
176.03824	0.5
178.08659	3.9
179.07056	0.6
191.05531	4.5
206.08171	0.9
208.09714	0.9
216.10175	1.4
222.07628	1.5
238.10744	1.0
248.12910	0.5
250.87807	0.5
260.09134	0.5
267.07449	0.5
278.22946	0.4
292.11905	0.7
306.13416	0.5
324.10675	0.8
324.14511	14.1
325.14719	1.0
336.10809	2.9
350.12292	0.6
359.12515	0.6
368.13464	35.4
369.09113	0.6
369.13721	4.0
369.22937	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	368.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.4
59.01249	20.2
66.03364	3.1
67.01749	4.4
68.01274	1.5
69.03325	24.5
70.02829	2.1
71.01252	3.6
72.99174	1.1
73.02809	13.6
84.04398	2.8
84.47509	0.9
85.02824	6.5
87.00738	1.3
87.68711	1.0
89.02293	1.8
92.13932	1.0
93.03320	3.8
94.02859	1.3
95.01249	5.5
99.04361	1.1
101.02298	2.1
104.04907	1.4
107.04926	1.0
111.04454	1.0
115.84917	0.9
118.06438	4.7
119.04892	2.2
120.04459	2.5
123.00744	1.2
124.03927	5.8
127.03842	1.4
128.03438	11.4
128.04938	1.4
130.06516	5.9
131.03584	2.4
132.04396	2.6
133.05042	1.1
135.04411	2.0
138.03122	2.2
144.04440	1.6
146.06010	16.7
147.04413	2.3
148.03929	3.7
151.03967	1.4
152.03400	1.8
162.05486	3.6
164.07065	19.8
169.03749	1.2
173.04538	1.9
174.05530	16.3
176.03987	1.5
178.07275	1.0
178.08607	6.9
179.07066	1.6
188.07101	2.9
190.04846	1.2
191.05551	5.1
204.10214	2.2
206.08157	100.0
206.12299	2.1
207.08446	4.3
208.09727	2.6
216.10223	2.6
238.10814	32.1
239.11174	1.8
248.09155	1.3
248.12984	1.4
260.09204	1.0
288.09644	1.4
292.11902	3.1
302.47369	1.2
305.77515	1.2
324.14514	37.9
325.14731	3.2
336.10892	5.2
368.13474	77.6
369.13818	6.9
369.22894	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	369.0826
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
54.29246	0.6
55.23134	0.7
57.03329	0.9
59.01245	1.8
69.03312	0.9
70.33356	1.2
70.33723	2.6
71.01248	2.1
72.99170	1.7
81.58762	0.6
83.01254	1.6
85.02831	4.4
88.48593	0.6
90.14669	0.6
93.03336	1.5
99.00771	1.2
101.02320	1.5
108.02024	0.9
111.00751	1.4
116.04973	1.2
129.01865	1.4
134.92085	0.8
135.04454	0.7
136.01573	1.9
160.03960	1.6
161.04352	1.6
162.26605	0.7
163.00275	2.1
163.03931	0.9
163.54909	0.5
164.01022	1.0
173.04372	0.7
190.99782	14.3
191.05504	2.2
192.00562	86.0
193.00922	3.1
205.03474	1.8
206.02164	2.1
207.02924	100.0
208.03291	4.4
223.04544	4.6
369.08221	11.9
369.12253	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	369.0825
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
59.01245	4.0
69.83012	3.3
70.67072	0.6
71.01250	3.5
85.02825	5.2
87.00755	0.6
89.02307	0.8
91.01761	1.3
93.03315	1.7
95.01287	1.0
98.20459	0.9
101.02328	2.0
102.34924	0.8
111.00760	2.1
113.02303	0.9
119.01255	1.1
129.01836	1.1
147.00638	0.9
149.02376	0.7
161.04462	1.1
163.00275	14.0
164.00470	0.8
173.04440	2.3
177.01831	1.1
187.60272	0.7
190.99776	100.0
191.05569	2.3
192.00188	5.2
205.01437	1.1
205.03387	1.5
205.05000	2.1
206.02129	68.5
207.02563	4.0
223.04521	3.5
225.43346	0.7
235.06242	0.7
311.51392	0.7
369.08194	18.0
369.12277	1.1
370.08591	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	369.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19554	0.4
54.37227	0.5
55.01749	3.9
58.00397	0.5
58.74751	0.5
59.01239	3.7
62.89600	0.5
63.96109	0.8
67.01759	1.0
69.03324	100.0
70.03661	1.6
70.81657	1.2
71.01238	3.6
71.04897	0.6
72.99164	2.6
73.02807	0.7
74.98970	0.7
79.01757	0.9
82.87022	0.4
85.02806	2.5
87.00739	0.8
89.02316	1.1
93.03352	1.8
95.01275	2.0
96.95882	0.7
97.02827	18.3
98.03133	0.7
99.00750	25.0
101.02328	1.6
107.04977	0.5
109.02831	0.7
113.02332	1.3
117.97179	3.0
119.04987	0.7
123.00830	0.9
127.69513	0.6
133.02905	1.1
134.03606	0.6
135.04436	1.5
135.98238	0.6
137.02345	3.0
141.01823	8.0
161.02324	2.3
163.04100	0.6
173.04536	0.6
178.02670	0.8
183.10176	1.2
185.00833	43.1
186.01207	1.1
191.05565	4.8
207.10327	0.8
221.72281	0.5
246.11411	0.7
290.10364	1.2
292.38770	0.6
334.01746	0.5
369.11911	7.1
369.15738	3.2
370.06308	0.9
370.11935	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	369.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99474	16.3
59.01250	3.8
71.01254	1.3
73.02823	0.5
74.98967	2.7
85.02827	0.8
87.00768	0.5
97.06474	0.5
102.98473	100.0
103.98824	0.8
120.99537	1.7
124.48707	0.4
137.09572	0.8
163.00635	6.1
182.02106	0.5
191.05545	2.0
369.22821	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	369.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85583	1.1
55.01754	1.9
56.69817	1.4
57.03307	1.8
59.01249	13.3
65.03812	1.2
65.54205	1.3
67.01748	1.1
67.68702	1.2
69.03321	26.9
71.01254	9.0
71.58882	1.2
72.99186	3.1
73.02836	1.8
74.98973	2.4
79.95582	2.0
81.03319	2.2
85.02815	16.9
87.00735	8.1
87.04384	1.6
89.02319	3.0
93.03343	7.5
94.27639	1.3
96.95873	2.4
97.02821	4.5
97.06490	1.7
99.00771	8.1
99.02614	2.4
101.02318	4.2
102.98445	1.9
108.02040	4.2
109.02821	6.2
111.04382	2.8
113.02293	2.4
120.99512	3.3
123.04365	1.5
129.01840	3.3
133.02861	3.8
135.04399	4.4
136.01561	5.1
137.02333	100.0
137.09608	1.9
139.03864	1.4
141.01791	2.8
151.03886	4.4
153.01791	2.2
154.02621	7.9
155.03413	2.2
155.05247	1.8
171.02959	6.1
173.04485	7.5
177.01883	2.5
178.02580	4.4
179.03474	1.8
185.00812	11.1
189.03905	3.0
191.05530	60.1
192.05907	1.7
230.58020	1.3
231.91037	1.2
239.11096	3.4
281.08588	1.5
369.15561	2.4
369.22986	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	369.1808
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
57.73753	1.6
59.01255	2.4
66.77888	1.8
69.49062	9.3
71.01230	1.6
81.42886	1.7
97.02864	1.7
97.06465	2.4
104.84015	1.4
115.56701	1.5
117.39684	1.5
121.02858	3.4
125.09631	1.7
135.08109	1.7
139.11295	1.5
154.09904	2.6
177.12762	3.1
182.02165	3.3
195.13849	3.4
249.22208	3.2
262.11951	4.1
272.06992	5.0
277.18176	3.2
293.21219	77.9
294.21722	7.0
311.22247	97.4
312.22580	9.1
315.19553	4.3
317.17557	1.4
333.20447	56.1
334.20596	4.5
369.18164	100.0
369.22842	11.3
370.18597	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.1
57.73593	1.3
58.86912	1.3
59.01255	7.4
71.01245	3.5
71.02789	3.7
72.34086	1.3
83.83934	1.5
89.02332	2.1
92.48895	1.8
97.06458	2.0
109.06410	1.6
111.62031	1.6
114.48160	1.5
121.02849	5.6
129.09126	2.7
138.12184	1.5
139.11234	3.2
171.10124	9.1
185.11737	2.2
197.11790	3.3
199.13333	2.1
211.13243	7.3
212.35149	1.6
227.07137	2.6
229.04953	1.8
233.11649	4.4
236.10344	4.5
262.11835	5.9
269.08130	4.9
272.06982	2.3
277.18271	4.4
291.19778	1.9
293.21155	7.4
305.17685	2.1
308.13672	1.5
309.20697	5.1
311.22253	33.1
312.22644	3.2
315.19214	1.4
331.18887	16.8
333.20343	1.9
369.18137	100.0
369.22635	4.8
370.18378	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	369.1809
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
54.23817	1.5
54.29084	1.4
57.03318	1.7
58.81168	1.4
59.01242	5.5
69.44622	1.4
70.88165	2.5
70.88493	2.7
71.01232	2.0
71.38282	1.5
74.65479	1.4
89.02296	1.9
91.01847	1.3
127.11208	2.6
129.53400	1.4
137.09625	1.9
139.11198	7.9
142.57759	1.6
149.50500	1.6
171.10170	25.8
183.10211	1.7
185.11746	4.3
193.08434	2.4
197.11755	1.4
201.05284	2.1
201.11252	4.6
207.10056	1.9
229.04851	6.6
243.06329	2.5
277.18088	5.3
293.21231	6.6
295.19058	3.5
305.55014	1.8
311.22253	39.7
312.22937	3.2
315.19446	2.9
333.20187	2.4
369.18085	100.0
369.22693	6.1
370.18161	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	369.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.2
59.01240	4.9
69.03319	1.1
70.21584	4.6
71.01253	9.0
79.57438	1.2
89.02322	2.1
125.09584	2.0
125.99179	3.3
133.04822	1.1
141.09079	1.4
149.38989	1.1
153.09062	2.0
165.01581	4.1
170.05710	1.5
174.78175	1.2
193.08463	2.2
200.10408	2.2
200.98003	1.4
221.07913	3.5
222.08679	93.1
223.09091	5.4
236.10251	2.7
249.22090	1.9
254.07727	14.0
255.08105	1.8
258.05112	11.8
267.23306	1.7
277.18054	31.8
278.18478	2.0
293.21161	6.9
295.19202	17.5
295.22540	2.7
311.22250	41.9
312.22485	3.4
333.20453	100.0
334.20755	10.2
369.17935	27.2
369.22754	24.8
369.27060	2.4
370.18268	3.5
370.23227	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1811
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
57.03312	2.1
57.73593	1.3
58.86912	1.3
59.01255	7.4
71.01245	3.5
71.02789	3.7
72.34086	1.3
83.83934	1.5
89.02332	2.1
92.48895	1.8
97.06458	2.0
109.06410	1.6
111.62031	1.6
114.48160	1.5
121.02849	5.6
129.09126	2.7
138.12184	1.5
139.11234	3.2
171.10124	9.1
185.11737	2.2
197.11790	3.3
199.13333	2.1
211.13243	7.3
212.35149	1.6
227.07137	2.6
229.04953	1.8
233.11649	4.4
236.10344	4.5
262.11835	5.9
269.08130	4.9
272.06982	2.3
277.18271	4.4
291.19778	1.9
293.21155	7.4
305.17685	2.1
308.13672	1.5
309.20697	5.1
311.22253	33.1
312.22644	3.2
315.19214	1.4
331.18887	16.8
333.20343	1.9
369.18137	100.0
369.22635	4.8
370.18378	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	369.1916
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
54.68020	0.4
55.01757	2.5
57.03322	2.2
58.00468	4.5
59.01249	100.0
60.01588	1.2
69.03333	0.7
69.81599	2.4
71.01253	75.9
72.01566	0.7
72.99181	5.9
73.02816	5.7
75.00729	0.5
81.03328	0.5
83.01251	3.6
84.02054	0.5
85.02824	15.9
87.00749	3.1
89.02316	86.5
90.02670	1.6
93.03337	0.4
95.01262	4.6
97.02798	0.8
98.19782	0.6
99.00752	2.0
101.02322	34.1
102.02636	0.7
113.02328	27.0
114.02695	0.7
119.03388	27.3
120.03775	0.4
121.06477	3.1
125.02384	0.5
128.73219	0.4
131.03403	3.3
137.02322	2.6
137.09616	29.1
138.09987	1.0
143.03410	3.4
149.04489	2.3
159.02849	0.8
161.04472	5.4
163.11168	0.7
171.24858	0.4
173.05829	0.4
177.01668	0.6
179.05553	5.1
189.09018	0.8
189.12706	1.0
191.05559	2.7
231.10161	0.4
289.85092	0.4
380.67355	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	369.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.0
57.03323	2.6
58.00464	5.6
59.01247	100.0
60.01579	1.3
69.03326	4.3
69.43177	2.2
71.01249	77.0
72.01589	1.2
72.05173	0.3
72.99174	5.8
73.02815	5.4
75.00738	0.9
81.03324	1.1
83.01259	3.6
84.02009	0.5
85.02816	19.0
86.03142	0.3
87.00735	3.9
87.04401	0.7
89.02309	94.1
90.02635	1.3
93.03346	0.9
95.01266	5.0
97.02811	1.4
97.06449	0.4
99.00724	2.6
101.02314	38.1
102.02668	0.9
103.28162	0.4
107.04910	0.7
109.02827	0.9
113.02324	27.3
114.02666	0.5
119.03378	29.0
120.03705	0.5
121.06485	3.0
125.02307	0.7
125.09634	0.7
131.03383	2.9
133.02831	0.7
135.04601	1.0
135.95653	0.3
137.02365	1.8
137.09615	31.9
138.09923	1.2
143.03386	3.4
149.04474	2.2
159.02823	0.8
161.04466	4.9
163.11136	1.2
173.04465	0.7
173.05971	0.8
179.05522	4.2
185.00804	1.6
189.09113	3.0
189.12675	1.1
191.05544	2.7
192.05750	0.4
207.10095	0.5
207.13623	0.3
223.06302	0.4
231.10091	1.1
251.12720	0.5
273.10825	0.4
369.11264	0.4
369.22656	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	369.2278
Annotation	Thromboxane B2
Peak:m/z	Relative Intensity
59.01249	2.1
62.44520	0.2
69.52383	0.6
69.52810	1.2
71.01260	0.6
77.31452	0.2
89.02340	1.0
91.03908	1.0
98.20569	0.4
101.02375	0.3
109.06474	0.3
123.04494	0.3
137.05991	0.6
138.06799	0.5
139.07642	0.3
151.07571	1.0
155.10701	0.3
161.70197	0.2
164.08374	0.6
165.09142	0.3
167.10719	0.4
170.05760	3.6
170.27927	0.2
171.06139	0.2
171.10139	0.5
185.11772	0.3
191.71005	0.3
195.13873	0.3
205.77263	0.2
207.09918	0.3
233.18997	1.9
236.10216	2.2
243.05646	0.3
249.18488	0.5
251.14590	0.2
251.20143	2.3
252.20343	0.4
259.16989	0.5
272.06760	0.4
277.18069	100.0
278.18423	8.9
293.21289	0.4
295.19153	54.0
295.22592	4.9
296.19489	5.5
296.22906	0.3
309.20718	1.0
311.22226	3.0
312.22717	0.4
331.18835	0.5
333.20398	7.3
334.20782	0.8
337.61093	0.2
369.22766	74.4
370.23148	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	371.0767
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01247	1.5
69.53622	2.3
80.32015	0.3
85.02833	0.4
87.00753	1.0
93.03323	0.4
100.61049	0.3
105.05567	0.4
113.71904	0.3
114.39449	0.3
120.59563	0.3
121.02834	100.0
122.03166	3.4
124.18680	0.4
135.04407	0.4
149.02325	0.5
154.13985	0.3
156.26645	0.3
158.03586	0.4
172.05286	0.4
173.04555	0.5
173.05951	0.6
177.01833	0.4
179.03407	10.1
180.03792	0.5
180.05702	0.4
181.06416	0.4
186.06752	0.7
187.07561	0.7
191.05600	0.5
200.04726	0.6
201.05411	1.0
211.07584	0.6
214.06337	0.7
215.07016	0.6
225.05559	0.6
229.08536	1.0
230.09344	0.9
239.07079	0.4
261.15067	0.5
274.08313	0.9
283.06131	0.5
335.18686	0.6
371.07651	11.8
371.24554	0.4
372.08139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
57.03325	7.7
59.00951	0.7
59.01247	13.3
61.54671	0.6
68.99710	1.1
69.03329	2.0
69.57925	4.6
71.00883	1.2
71.01254	15.9
71.01649	0.9
72.99174	4.6
73.02824	1.2
75.00743	41.5
83.01258	1.7
84.02035	1.8
85.02818	17.6
87.00748	12.5
89.02303	5.6
89.03852	1.0
89.28765	0.6
93.03327	1.4
97.02829	1.3
98.19824	1.4
99.00755	6.9
101.02327	3.8
103.00243	1.1
111.00773	2.2
113.02335	0.9
115.03870	0.8
117.01862	1.1
117.03353	5.5
119.03394	0.6
121.02804	0.7
129.01826	21.3
133.02821	0.6
134.03625	62.3
135.04349	1.4
137.02370	1.3
141.01842	1.8
149.02374	0.6
149.05975	5.8
159.02892	5.8
160.01585	2.8
175.03935	6.3
176.04692	1.9
177.03955	100.0
178.02725	1.2
178.04285	3.4
179.03426	0.8
191.05469	2.1
191.07091	2.4
193.04979	71.1
194.05367	2.8
195.05026	88.0
196.05379	2.6
207.06641	0.8
209.02710	1.1
209.04535	1.6
226.54643	0.7
235.05968	3.2
295.08228	3.3
335.07953	0.8
353.08734	4.8
362.97055	0.8
371.09790	82.9
372.10056	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	371.0981
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
55.01742	0.4
57.03310	0.5
58.00480	0.6
59.01250	12.8
67.01761	1.1
68.99686	1.8
69.03324	3.5
69.33927	2.0
69.94669	0.2
71.01250	8.6
72.99173	0.7
73.02828	1.1
77.64397	0.3
83.01280	0.7
85.02811	2.2
87.00754	0.5
89.02312	7.5
93.03327	1.3
95.01277	1.9
95.04898	28.6
96.05225	0.6
97.02832	0.3
99.00747	0.4
101.02321	6.3
102.62591	0.3
106.04131	1.0
108.02043	0.7
111.00761	21.4
112.01110	0.5
113.02325	3.7
119.03399	3.7
119.04913	1.6
121.02841	100.0
121.06457	4.5
122.03171	3.7
123.04407	27.8
124.04733	0.9
130.08614	0.4
131.03391	0.3
135.04393	0.5
137.05997	2.1
139.00264	18.8
140.00647	0.5
147.04419	2.0
149.02345	3.3
149.64594	0.3
153.05482	0.5
161.04466	1.0
163.03940	0.4
165.05481	37.4
166.05829	2.1
179.05556	0.7
181.04988	4.4
185.11783	0.3
191.03424	2.4
191.05266	0.5
200.10869	0.2
209.04504	2.9
236.21964	0.2
327.10834	1.1
371.09808	30.8
372.10175	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	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
57.03325	7.7
59.00951	0.7
59.01247	13.3
61.54671	0.6
68.99710	1.1
69.03329	2.0
69.57925	4.6
71.00883	1.2
71.01254	15.9
71.01649	0.9
72.99174	4.6
73.02824	1.2
75.00743	41.5
83.01258	1.7
84.02035	1.8
85.02818	17.6
87.00748	12.5
89.02303	5.6
89.03852	1.0
89.28765	0.6
93.03327	1.4
97.02829	1.3
98.19824	1.4
99.00755	6.9
101.02327	3.8
103.00243	1.1
111.00773	2.2
113.02335	0.9
115.03870	0.8
117.01862	1.1
117.03353	5.5
119.03394	0.6
121.02804	0.7
129.01826	21.3
133.02821	0.6
134.03625	62.3
135.04349	1.4
137.02370	1.3
141.01842	1.8
149.02374	0.6
149.05975	5.8
159.02892	5.8
160.01585	2.8
175.03935	6.3
176.04692	1.9
177.03955	100.0
178.02725	1.2
178.04285	3.4
179.03426	0.8
191.05469	2.1
191.07091	2.4
193.04979	71.1
194.05367	2.8
195.05026	88.0
196.05379	2.6
207.06641	0.8
209.02710	1.1
209.04535	1.6
226.54643	0.7
235.05968	3.2
295.08228	3.3
335.07953	0.8
353.08734	4.8
362.97055	0.8
371.09790	82.9
372.10056	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	372.0999
Annotation	Violaceinic acid
Peak:m/z	Relative Intensity
54.19884	0.2
59.01232	1.0
61.34109	0.2
68.99687	0.3
71.01233	0.4
80.25000	0.2
85.02804	0.8
86.02338	0.4
87.00727	0.6
88.49892	0.3
91.11934	0.3
95.01239	0.3
95.05841	0.3
97.06464	0.5
101.02248	0.3
108.02028	0.7
109.06490	0.4
121.02791	0.7
125.09577	1.7
127.07539	6.1
130.08597	0.4
135.04402	0.7
139.07573	0.3
155.10674	0.3
157.12158	0.2
159.04420	0.5
161.02310	0.7
171.06540	2.6
171.10121	1.1
173.04555	0.3
175.03914	0.5
176.04736	0.4
182.03511	0.3
187.09607	0.9
188.07100	0.6
191.05502	0.9
195.04449	0.3
199.03073	0.7
201.11237	2.2
202.08684	0.5
203.03426	0.3
211.03938	0.3
212.04602	0.3
214.01772	0.6
215.02615	1.4
216.06630	0.4
217.04045	0.3
217.10712	0.3
218.08157	1.8
227.02661	0.7
229.00452	0.5
229.04077	0.6
229.29808	0.3
230.01357	0.5
231.02068	0.5
231.30626	0.3
237.05414	0.4
239.03375	0.5
240.04420	0.3
242.01361	2.0
243.02133	9.7
244.02800	1.5
245.03648	1.3
245.06647	0.3
246.07692	4.8
247.08122	0.3
252.06549	0.5
255.02138	0.3
256.05273	0.6
257.03714	0.8
258.00797	0.6
258.04535	1.7
269.03647	0.9
270.03452	0.3
271.01599	1.2
271.05029	0.4
272.02405	2.4
272.04935	0.4
284.04886	1.1
314.05988	0.5
326.05771	0.3
327.06516	0.7
328.07391	0.5
329.10672	0.5
332.30438	0.3
353.09082	0.3
356.06918	1.1
357.07697	100.0
358.08002	9.8
372.10034	91.8
372.19690	0.5
373.10312	9.3
373.18329	0.9
373.25775	0.4
391.63278	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	372.1004
Annotation	Violaceinic acid
Peak:m/z	Relative Intensity
53.73553	0.5
59.01250	0.8
61.98692	1.3
69.30728	2.5
69.31155	1.5
73.38699	0.4
85.02855	0.5
91.11901	0.5
98.19637	0.7
108.02065	0.4
137.02208	0.5
153.59303	0.4
160.84073	0.8
199.03146	0.8
202.08771	0.7
211.03868	0.6
215.02588	1.2
216.06972	0.4
218.08177	1.9
227.02643	0.9
229.04227	0.6
231.02107	0.9
237.05492	0.6
242.01363	2.3
243.02121	9.1
244.02824	1.7
245.03784	1.1
245.06967	0.7
246.07678	5.6
256.05194	0.7
257.03610	0.9
258.04459	1.5
269.03683	0.8
271.01691	1.5
272.02444	2.3
277.10843	0.5
284.04800	1.2
326.05576	0.6
329.08258	0.6
353.09164	0.6
356.06729	0.9
356.98444	0.6
357.07703	99.3
358.08047	9.2
372.10031	100.0
373.10327	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	373.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.2
69.49406	0.6
69.49819	1.8
70.11050	0.3
71.01250	0.8
77.72760	0.3
89.02314	1.2
91.99640	0.3
92.74264	0.3
101.02353	0.6
102.05505	0.4
109.02832	0.4
119.03394	0.5
123.04405	0.2
124.01617	0.3
134.03619	0.3
135.04364	0.6
136.01509	0.5
137.02333	2.2
146.04477	1.6
149.05894	0.4
150.03143	0.9
151.03926	2.7
152.04694	54.7
153.04991	1.7
165.05453	1.0
166.06331	0.4
167.07047	16.5
168.07346	0.4
177.01843	2.0
178.02611	1.7
193.04985	17.7
194.05331	0.9
196.03693	1.2
211.06050	100.0
212.06383	4.2
243.07155	0.4
247.86354	0.4
253.07002	0.4
265.32526	0.3
314.98349	0.3
373.11331	13.4
374.11636	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	373.1137
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
57.92870	0.4
59.01256	4.2
69.03316	3.0
69.82999	3.0
71.01250	3.0
80.98106	0.5
87.00757	0.4
89.02323	4.1
91.44078	0.5
93.03349	1.0
95.38649	0.4
97.02824	4.2
98.19839	1.0
101.02303	2.3
113.02348	1.5
119.03409	1.4
123.04406	2.2
124.01563	1.3
136.01524	1.2
137.02335	2.4
138.03081	0.8
139.03897	1.1
147.61058	0.5
149.05994	3.1
150.03096	0.8
151.03905	7.4
152.04683	60.2
153.05499	4.3
165.05492	0.9
167.03389	1.3
167.07042	14.4
177.01830	1.9
178.02676	2.4
179.05550	0.8
193.04980	12.7
194.05315	0.7
196.03682	15.7
211.06046	100.0
212.06378	4.6
225.55867	0.5
298.18784	0.5
314.09854	0.8
373.11368	48.7
374.11917	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	373.1137
Annotation	5-Deoxyeustomoside
Peak:m/z	Relative Intensity
59.01245	8.9
62.89833	0.5
69.03330	5.1
69.71914	3.6
71.01242	4.8
81.13188	0.4
81.20113	0.5
89.02311	5.3
93.03326	1.4
97.02826	7.9
98.20565	0.5
101.02305	2.5
105.03355	0.6
113.02329	2.3
119.03386	2.0
123.04395	2.0
124.01551	1.6
136.01575	1.3
137.02347	4.6
139.03894	1.7
149.06030	2.6
150.03119	1.2
151.03911	3.8
152.04688	82.5
153.05049	2.8
156.92928	0.5
157.99815	0.5
167.03397	1.0
167.07030	7.9
177.01837	2.9
178.02606	1.1
179.05510	0.7
193.04982	11.0
196.03696	19.5
211.06050	100.0
212.06406	4.2
215.57027	0.5
221.47829	0.5
373.11426	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	373.1139
Annotation	5-Deoxyeustomoside
Peak:m/z	Relative Intensity
55.27127	0.9
58.94416	0.9
59.01253	7.4
69.03320	2.8
69.82207	1.4
69.82623	4.7
70.22649	0.9
71.01257	6.0
85.02812	1.9
89.02318	4.5
91.00841	0.8
93.03333	1.8
97.02863	4.9
101.02315	3.5
108.02055	2.0
109.02817	1.2
113.02327	1.5
119.03399	1.3
123.04380	5.5
124.01526	2.5
134.03644	1.1
135.04422	1.0
136.01576	1.9
137.02316	5.8
139.03912	1.3
149.05957	2.6
150.03168	1.5
151.03902	14.8
152.01041	2.6
152.04692	100.0
153.05513	10.0
154.86433	0.8
157.77089	0.9
165.05484	2.2
167.07065	16.5
177.01843	2.2
178.02620	6.4
179.05484	1.1
181.04980	1.4
191.05380	1.0
193.04967	17.0
194.05405	1.0
196.03691	16.8
211.06058	88.4
212.06372	3.5
309.76923	1.0
315.07208	3.6
373.11386	49.1
374.11636	4.5
391.65808	0.9
396.32025	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	373.1136
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
55.01728	0.9
58.00460	3.2
59.01248	76.7
60.99162	2.6
67.01759	1.0
69.03323	53.1
69.94302	4.4
70.03651	1.0
70.37577	0.8
71.01249	44.3
72.99184	1.9
83.01231	1.1
85.02820	7.7
87.00727	3.6
89.02312	69.8
93.03325	15.5
95.01223	2.1
95.04919	1.2
97.02824	86.5
98.03156	1.9
101.01687	1.9
101.02319	27.7
105.03342	3.8
106.50575	1.1
113.02322	19.9
119.03381	36.4
121.02834	3.4
121.06457	3.0
123.04414	17.1
123.97440	1.2
123.98307	0.9
131.03380	3.8
131.04907	1.2
141.01830	5.0
143.03406	7.7
146.51576	1.1
147.04399	1.0
149.04637	2.0
149.05978	61.7
150.06322	2.0
161.04425	5.7
167.07037	18.9
179.05510	13.6
193.04980	100.0
194.05345	4.5
373.11380	40.2
374.11633	3.6
393.98511	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	373.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18576	0.7
65.18955	0.5
66.52247	0.6
69.36491	1.0
69.36902	4.2
97.73569	0.5
108.69468	0.5
126.74883	0.6
135.04424	1.0
137.02364	3.6
138.03114	0.8
144.26537	0.5
150.03180	1.0
151.03914	5.1
152.04695	100.0
153.05045	3.3
167.07050	31.3
168.07358	1.1
177.01848	3.3
178.02635	6.0
193.04987	33.3
193.12909	0.6
194.05344	1.3
196.03717	2.1
211.06056	51.7
212.06465	2.4
323.47516	0.6
373.11426	11.3
374.11816	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	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.3
55.05840	0.7
57.03326	1.1
59.01250	6.9
60.54490	0.7
63.39165	0.8
63.96105	0.9
65.71371	0.7
68.52378	0.8
69.03326	100.0
69.87246	0.7
70.03649	2.4
71.01243	5.7
71.59148	1.4
72.99182	3.8
75.00733	1.2
79.21032	0.7
81.03349	0.7
81.19659	0.9
81.50249	0.8
83.04900	1.0
85.02818	2.8
87.00761	2.0
87.78188	0.9
89.02313	3.3
93.03341	6.2
95.01271	2.4
96.95927	1.1
97.02825	20.4
97.06444	2.0
99.00754	25.5
101.02329	2.6
111.04412	1.4
113.02314	2.5
118.97887	1.0
119.03376	1.4
120.99539	2.8
121.02847	1.0
123.00813	1.3
123.04429	1.1
123.08065	1.8
125.09612	3.5
135.02974	1.4
135.04375	2.1
135.98250	2.1
136.01555	0.8
137.02350	1.5
141.01833	8.7
142.96918	0.8
145.02890	1.0
149.06020	1.2
151.03931	2.0
152.04636	1.4
155.10672	2.6
163.03896	1.3
173.04475	9.2
185.00833	68.5
186.01198	3.1
187.09651	5.1
191.05550	5.3
193.05025	2.0
199.09669	1.4
201.09157	1.2
209.11679	1.3
211.05905	1.1
211.07727	1.9
211.13324	0.9
217.10739	1.5
223.89323	0.8
245.08037	1.0
279.06427	1.0
285.11462	1.2
297.08771	1.3
299.17136	0.9
307.90311	0.8
311.10297	1.1
329.11270	2.4
373.11267	14.5
373.18796	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	373.1864
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.03902	0.6
53.61621	0.7
53.83330	0.6
55.01752	5.2
57.03321	5.0
58.00450	2.5
59.01247	48.1
60.42538	0.6
68.70952	0.6
69.03313	2.1
69.54709	2.0
69.55135	3.1
71.01247	63.4
72.99166	3.0
73.02814	17.2
75.00756	1.3
83.01255	9.0
84.02011	1.0
85.02814	29.2
86.03168	0.9
87.00732	3.5
89.02307	22.7
93.03248	0.8
95.01273	5.8
97.02824	3.5
99.00736	7.2
101.02315	41.5
105.72126	0.6
111.00767	0.9
113.02322	23.8
119.03381	10.1
125.02266	1.2
129.01785	1.6
135.98257	1.1
143.03392	2.0
159.02872	2.7
161.04456	11.7
179.05475	1.4
191.05547	1.6
193.12300	1.4
195.13860	1.0
211.13368	1.1
313.10745	0.9
373.18643	100.0
374.19006	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
50.78623	1.3
55.01750	4.2
57.03311	1.8
58.00455	2.5
59.01248	81.0
63.96109	3.1
66.60634	1.3
69.03319	3.1
69.70658	2.8
69.71057	7.9
71.01247	56.1
72.99185	9.9
73.02806	8.9
74.98982	2.1
83.01257	6.0
85.02817	19.0
87.00755	4.4
89.02309	45.5
90.52978	1.3
93.03339	1.4
95.01269	3.4
97.02852	2.6
97.06492	1.8
98.20448	2.9
99.00755	2.5
101.02318	39.2
113.02315	17.8
119.03370	19.7
119.04857	1.2
120.99465	1.8
121.02917	1.5
135.98262	18.1
143.03423	1.3
144.57425	1.5
161.02342	1.7
161.04575	1.5
167.18457	1.3
171.10223	2.5
175.03963	1.6
187.09787	1.6
191.05524	5.9
193.05109	2.3
193.12326	2.4
201.11285	2.2
211.05910	1.4
229.11302	1.3
307.71124	1.6
327.36652	1.3
329.10278	2.1
373.18671	100.0
373.25537	6.6
374.06320	1.5
374.19025	9.4
382.02179	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	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.6
57.71082	0.9
57.97386	0.8
58.00461	3.1
59.01244	27.9
62.98682	0.8
68.99681	1.3
69.03325	1.1
69.47523	6.5
69.47930	1.4
69.90026	0.9
71.01246	7.4
71.04867	1.1
75.76571	0.8
85.02846	0.9
85.06448	1.3
87.00742	2.2
89.02314	6.1
93.03321	1.5
95.04907	1.2
95.27859	0.9
97.06463	3.5
98.20515	1.2
101.02317	3.2
101.05959	2.4
109.02788	1.1
109.06468	9.2
113.02311	1.5
119.03371	3.9
121.06484	2.7
123.08017	5.5
125.05949	1.8
125.09598	28.8
127.07533	100.0
127.11151	3.1
128.07851	3.0
131.07045	2.1
133.02837	1.7
139.07562	2.8
141.09126	1.1
148.15054	1.1
155.10645	1.4
161.02345	3.4
171.06532	42.7
171.10156	11.2
172.06847	1.8
175.03888	3.0
176.04749	1.0
177.02014	1.1
185.08096	2.5
187.09673	20.7
188.10071	1.1
193.12187	3.3
201.11240	33.7
202.11630	1.6
203.03494	1.3
203.09097	1.2
211.13318	1.2
213.11240	1.0
232.03648	1.4
251.16394	1.9
293.17340	1.1
295.22885	1.3
311.18555	1.2
329.10284	2.1
332.17438	1.1
337.09479	1.0
337.16528	1.0
355.17606	1.9
373.09418	3.3
373.18716	20.2
373.25793	10.0
374.05823	1.3
374.18918	1.6
381.65445	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	373.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69852	0.4
59.01246	10.9
69.29594	4.2
79.16632	0.4
82.14370	0.4
82.73455	0.3
86.01981	0.3
93.03329	2.2
97.06452	0.7
106.04131	0.4
125.05933	0.6
125.44939	0.4
148.08810	0.8
150.10406	1.3
151.11191	0.4
163.11165	1.0
165.12753	21.8
166.13016	1.3
168.10229	0.3
175.11208	0.6
176.12006	0.8
191.14273	0.7
244.10762	3.1
245.18703	0.4
247.20638	10.4
248.20862	0.7
273.18594	5.5
274.18863	0.7
291.19641	100.0
292.19971	8.8
295.16409	0.5
312.67450	0.4
313.17831	13.0
314.18192	0.9
319.70926	0.5
337.67593	0.4
373.19864	10.5
374.20135	1.6
386.77576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.9
58.04766	0.6
59.01247	17.3
61.98706	1.0
70.10302	3.1
71.01261	0.9
82.31275	0.7
86.14053	0.7
93.03329	1.2
93.06960	1.3
95.04871	1.0
97.06467	1.6
98.20477	0.9
105.09405	0.7
119.08468	0.8
121.09264	1.0
121.10118	16.8
122.10432	1.1
123.08002	1.0
125.09612	7.8
141.12741	1.3
147.08049	2.1
185.11743	12.5
197.11800	3.3
207.09933	2.7
209.11783	1.6
211.13292	1.2
226.97171	0.7
227.17905	1.0
243.17502	1.1
245.19058	7.8
247.13356	1.2
247.20584	1.1
291.19644	67.3
292.20038	5.8
293.15601	0.7
311.16129	1.5
313.17828	100.0
314.18219	8.7
373.18774	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	374.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35023	0.2
59.01249	4.8
65.51920	0.2
71.14434	0.4
71.14771	0.4
75.17068	0.2
82.85737	0.2
100.07584	0.2
101.05956	1.0
104.76379	0.2
116.51927	0.2
124.07573	0.7
132.98077	0.2
142.56564	0.2
154.44298	0.2
165.10265	0.3
174.27196	0.2
174.99146	1.5
175.37468	0.2
178.34216	0.2
189.10251	0.3
194.92784	0.2
205.12202	0.2
213.88965	0.2
217.00227	5.8
232.10863	10.1
233.11206	0.5
260.10385	0.2
272.17578	0.3
276.61877	0.2
289.17957	1.6
290.18716	2.5
316.16745	1.5
317.16998	0.3
318.18161	0.3
348.43985	0.2
358.21365	0.7
374.24448	100.0
374.99274	0.3
375.24765	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	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03307	2.0
58.00453	1.8
59.01249	37.4
67.01749	0.6
69.03326	62.4
70.03648	1.1
71.01251	21.3
71.07716	1.5
71.18333	0.5
72.01594	0.7
72.99173	1.7
73.02827	1.5
81.03332	2.0
83.01264	1.1
85.02822	4.0
87.00766	3.7
89.02316	21.8
90.02685	0.6
92.37488	0.5
93.03349	1.7
95.01276	1.5
95.04903	21.5
99.00751	0.8
99.04396	10.0
101.02332	10.1
107.04906	10.9
109.06483	1.5
113.02326	31.2
114.02693	1.0
119.03397	8.0
123.04424	0.6
125.05977	4.1
131.03409	0.7
133.06456	1.9
135.04422	0.6
143.03406	1.5
151.03952	0.8
151.07539	8.5
152.04712	1.2
152.07851	0.5
153.05089	0.5
161.04462	1.9
169.08620	24.9
170.08940	1.4
176.09868	0.5
176.27174	0.5
179.05537	2.4
191.05562	0.7
195.06506	1.1
211.06070	1.1
212.06377	0.9
213.07625	100.0
214.07993	5.8
306.07263	0.6
375.12946	57.9
376.13174	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	375.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72116	1.3
52.84697	1.1
57.03309	1.1
58.00462	2.1
59.01247	66.3
67.01739	1.7
69.03324	100.0
70.03645	1.8
70.92391	4.6
71.01250	42.1
72.99187	3.0
73.02812	2.5
81.03316	4.6
85.02812	9.1
87.00742	2.4
89.01747	2.0
89.02312	41.0
95.01265	1.8
95.04884	12.8
99.04382	10.1
101.02321	24.8
107.04898	3.1
113.02321	20.2
119.03384	18.8
121.02850	4.4
121.06477	17.3
125.05981	7.1
135.04379	2.0
139.07523	2.4
143.03395	5.8
151.07545	37.6
161.04359	2.4
169.08621	8.1
179.05490	2.6
195.06537	21.8
205.17657	1.2
213.56984	1.1
290.95004	1.1
375.12949	38.7
376.13190	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	375.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.2
57.03313	3.5
58.00458	4.3
59.01249	100.0
69.33049	7.9
69.33480	2.0
71.01251	71.6
72.99178	8.0
73.02827	8.1
75.00723	1.4
83.01268	6.2
83.86458	1.0
85.02821	18.9
87.00738	4.3
87.04451	0.9
89.02311	72.4
90.02634	1.2
93.03339	1.1
95.01262	6.6
99.00745	2.8
101.02318	55.8
111.00750	1.2
111.08157	1.0
113.02327	27.0
119.03382	37.1
126.03174	1.1
131.03375	3.5
135.04430	1.4
135.98213	0.9
143.03394	4.8
149.04459	3.3
151.11157	1.6
151.21007	1.0
159.02858	2.0
161.04446	5.7
169.12279	1.0
177.09171	2.9
177.41180	0.9
179.05510	7.1
191.05537	3.5
195.10213	2.0
213.11227	1.8
217.10754	1.1
331.17703	2.3
357.15457	11.4
375.16565	86.8
376.17209	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	375.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.1
56.31314	0.9
57.03320	1.6
57.97226	0.9
58.00469	1.5
59.01248	34.4
69.03332	2.2
71.01250	27.1
71.04887	1.1
72.99188	2.0
73.01035	1.7
73.02812	4.0
74.98972	4.3
80.96371	0.9
83.01244	3.6
85.02812	9.9
87.00761	2.1
87.04393	2.2
89.02312	18.1
93.03325	1.5
94.04112	1.9
94.41606	0.9
95.01245	2.0
95.04881	6.8
96.95895	2.1
97.06459	3.4
98.03597	7.8
99.00713	0.9
101.02322	13.7
104.96775	0.8
107.04909	8.5
107.64602	0.8
109.06468	1.9
113.02320	11.1
119.03384	8.0
120.99527	3.1
121.06475	1.1
123.08074	1.3
133.11365	1.0
134.07306	1.5
135.04358	1.1
135.07997	1.4
136.99013	3.9
149.09616	2.8
151.11183	80.3
152.11546	4.2
161.04411	1.4
163.11189	6.3
164.11525	0.9
165.12674	1.4
169.12242	14.0
179.05466	1.6
180.05968	1.1
191.05605	1.6
195.10188	100.0
196.10381	4.3
208.56320	0.9
213.11276	1.4
217.00264	1.2
229.25859	1.2
251.16383	1.1
295.15463	13.5
296.15994	1.3
306.07483	1.8
337.57581	0.9
375.11023	9.4
375.14783	2.3
375.19821	2.3
375.27502	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	375.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.2
69.29053	4.2
71.01246	11.7
99.92452	0.9
124.69778	0.5
127.07503	0.8
148.05077	0.7
151.07541	0.7
164.08298	1.0
174.99185	2.9
177.09129	3.5
180.22565	0.5
187.06847	0.5
189.85072	0.5
190.09929	3.7
192.11469	7.6
195.23082	0.5
205.12277	3.1
207.13846	1.5
217.00246	10.2
217.08612	0.6
218.09459	2.4
220.14621	40.6
221.15401	100.0
222.15736	7.9
231.17537	0.7
235.13293	1.7
236.10481	90.3
237.10844	6.1
264.08499	1.2
275.16434	0.9
292.11658	0.8
293.17575	39.3
294.17932	4.1
318.09546	5.4
319.09821	1.1
321.15533	2.2
357.16473	0.5
358.08566	0.6
375.17880	9.1
375.25156	1.1
376.17825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58235	3.1
57.03323	12.2
58.00439	3.6
59.01254	41.8
63.96108	12.3
64.20008	3.6
65.03837	17.4
69.03316	12.4
71.01250	17.3
71.04868	6.2
72.99191	4.3
73.02819	43.4
76.26144	3.5
78.83389	3.3
78.93092	3.5
79.95602	22.1
81.03325	21.9
83.04897	6.2
85.02824	6.2
87.04395	21.6
90.75388	3.3
95.04903	4.0
96.95876	6.1
97.02831	14.1
97.06467	14.7
99.04356	4.2
109.06496	6.6
111.04385	4.7
113.05947	6.2
121.06478	7.0
123.08039	15.8
124.76535	3.3
125.09608	71.8
127.11177	13.0
137.05989	4.8
138.88344	3.2
155.10692	14.6
158.03674	3.5
165.09152	6.0
167.06964	3.4
167.10748	7.0
169.08644	4.6
171.10187	53.1
183.10146	7.4
185.11746	28.6
187.09686	15.9
191.07368	6.9
199.09731	8.4
201.11267	100.0
213.09241	4.5
213.11272	66.6
214.13654	3.3
215.12811	22.0
217.00281	10.1
217.10698	4.3
225.11284	10.0
233.11691	4.3
241.14325	3.2
243.12329	24.9
251.12756	25.3
295.22803	5.0
301.65585	3.3
303.15897	8.0
321.17017	11.3
353.68436	4.0
366.87979	4.1
375.18137	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	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	51.1
69.24652	13.1
69.24940	1.0
73.97851	1.3
95.04906	4.6
98.19778	2.5
99.92458	2.7
109.06467	4.8
116.92690	1.1
121.10116	27.2
127.07536	1.2
149.09659	1.8
159.01370	1.5
171.10170	48.0
172.10509	2.6
174.99187	2.9
183.13821	13.9
185.11694	2.0
207.09813	1.9
211.13300	2.8
217.00284	11.2
223.13155	1.2
231.21133	3.9
235.16974	2.2
237.10921	1.5
253.09251	2.3
267.12079	4.7
275.20129	83.6
276.20422	6.5
278.11301	7.7
293.21207	100.0
294.21579	10.7
315.19376	57.7
316.19727	5.5
329.17349	1.9
352.00272	1.0
358.12415	1.1
359.18405	6.2
375.21045	32.7
376.21265	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	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	4.6
59.01247	36.4
61.98695	2.3
68.67616	0.8
70.65176	1.2
70.65533	2.0
83.04887	1.1
83.12051	0.7
85.06444	1.0
85.46070	0.8
91.25367	0.8
98.49136	0.8
109.06489	1.3
113.09602	25.3
121.06480	3.1
121.10110	4.0
127.67306	1.0
139.11198	2.9
149.09540	1.1
149.13202	1.1
155.10555	0.9
167.10641	2.8
171.10158	13.4
174.99184	2.2
177.12767	1.2
179.10681	2.6
193.74174	0.8
195.13766	2.6
197.59804	0.9
217.00249	6.5
217.12090	1.1
247.20662	2.0
249.11043	1.6
249.22159	2.1
272.13962	2.7
275.20166	16.4
276.20535	1.1
279.12299	1.1
293.21201	100.0
294.21570	8.8
295.91733	0.8
315.19370	99.5
316.19736	7.6
353.77991	0.9
375.21402	9.6
376.21713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12849	0.4
57.03309	1.2
59.01247	16.0
59.44110	0.4
66.38958	0.5
69.03353	0.5
69.95797	2.1
85.75204	0.4
93.03338	0.4
97.06441	1.2
98.19869	0.7
115.27127	0.5
115.81741	0.4
117.85101	0.4
123.08073	1.0
125.09602	4.8
141.12750	1.3
144.79080	0.4
149.09621	2.1
159.08429	0.5
174.99161	0.9
185.11752	10.1
186.12025	0.6
197.11725	2.4
209.07880	0.6
217.00224	5.0
247.20624	1.5
249.22221	0.5
275.20407	0.5
293.21204	100.0
294.21515	7.6
315.19382	30.4
316.19724	2.2
375.21484	3.7
376.21619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.145
Annotation	Abafungin
Peak:m/z	Relative Intensity
57.03315	6.8
59.01246	40.6
64.79054	1.2
67.01743	2.2
68.99671	2.1
69.03305	2.1
71.01248	42.1
71.59066	1.7
72.99176	8.4
73.02785	4.3
75.00359	2.4
75.00742	34.1
80.06350	1.4
83.01242	1.6
85.02817	40.9
87.00741	18.7
89.02306	12.7
93.03288	2.5
95.01261	8.2
99.00762	17.3
101.02306	7.7
103.00227	3.9
111.00703	2.6
113.02327	58.3
115.00217	4.1
115.03850	3.3
117.01805	3.6
117.46308	1.5
119.03390	26.7
120.99517	7.6
127.07534	49.5
128.07843	2.0
129.01779	4.9
134.03586	1.6
135.04350	3.0
139.00159	1.4
149.04427	2.3
172.05194	2.6
173.04393	2.1
174.06747	1.5
175.02327	5.0
179.03265	1.6
187.06143	1.7
187.07578	14.7
191.05478	5.4
199.03807	2.1
205.07002	4.3
206.36488	1.5
209.11613	2.1
213.08995	2.5
215.06979	2.6
223.08069	1.8
227.03308	1.7
231.04883	3.5
231.10083	2.4
249.06114	49.7
255.15889	4.4
256.13251	1.5
257.08148	11.5
267.07181	96.9
268.07410	5.8
275.09079	6.5
289.14670	2.5
377.14352	100.0
378.14801	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	377.1449
Annotation	Lamiol
Peak:m/z	Relative Intensity
55.01744	1.3
57.03326	0.6
59.01247	12.8
69.55350	1.1
69.55754	3.2
71.01255	7.4
73.02814	100.0
74.03144	1.0
79.05387	4.5
79.41740	0.5
83.01288	0.5
85.02809	2.3
87.00750	0.5
89.02311	8.1
95.01273	0.7
95.04900	2.1
97.02844	0.9
97.06460	6.8
98.19690	0.7
101.02293	4.3
107.08553	0.9
109.06464	0.6
113.02343	3.3
113.05997	0.5
117.01812	0.6
119.03391	2.4
123.04404	1.6
125.09615	0.7
135.04411	19.5
135.08058	9.3
136.04744	1.3
141.05476	24.6
153.09114	34.1
154.09416	1.3
171.10184	36.2
172.10503	0.9
179.03419	1.7
197.04251	0.7
197.08121	9.1
215.09187	67.3
216.09517	2.7
257.10339	2.9
275.54120	0.5
297.09662	1.3
341.08813	2.0
346.60416	0.5
377.14417	3.9
378.31683	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	377.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.0
57.03327	2.5
59.01250	25.7
59.73643	1.0
61.77735	1.0
69.03346	1.6
69.59097	3.4
69.59525	5.1
71.01250	21.9
72.99194	1.7
73.02816	92.2
77.54405	1.2
83.01255	3.2
85.02824	20.0
87.00761	5.2
87.04392	10.3
89.02315	8.2
93.03362	1.3
95.01265	2.3
95.18279	1.0
97.02821	1.7
99.00728	1.9
101.02315	10.7
103.00235	1.7
113.02332	21.6
113.05986	10.5
115.03904	1.9
119.03377	2.7
125.09663	1.3
130.57774	1.2
131.07431	1.5
135.04398	2.3
139.00240	1.4
149.02400	1.6
153.09117	2.7
161.04448	1.8
161.38531	1.1
164.04832	1.2
171.10176	100.0
172.10522	4.4
179.03455	1.8
191.05533	2.4
197.11761	5.2
198.11281	3.1
205.07108	6.4
207.11140	1.2
215.09192	50.8
215.12660	12.0
216.09515	2.6
224.85995	1.5
257.10303	8.8
281.08762	13.2
329.14163	1.4
330.46643	1.1
359.17178	1.5
377.14081	12.8
377.18222	73.8
378.13321	1.4
378.18353	7.2
399.78058	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	377.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	6.1
55.51066	0.9
57.03326	7.0
58.00469	2.2
59.01250	39.7
60.01595	0.8
67.01765	4.5
68.99684	3.9
69.03321	2.3
69.35006	3.3
69.35429	5.0
71.01250	64.2
72.99182	3.9
73.02818	19.0
75.00770	1.5
78.38877	0.9
79.81200	0.9
83.01248	10.2
83.04887	0.8
85.02818	48.7
85.99969	1.7
87.00746	11.6
87.04373	1.0
89.02303	13.6
91.03881	1.3
95.01258	9.3
95.04903	1.2
97.02823	1.9
98.19763	1.7
99.00755	6.3
101.02322	32.7
103.00237	1.5
111.00757	6.6
112.01543	2.2
113.02329	49.6
113.05962	98.9
114.06300	3.3
119.03380	1.9
129.01846	4.3
131.03459	1.3
133.01491	1.2
139.00255	2.7
141.91496	0.8
143.03389	2.5
150.04123	3.2
153.02876	1.0
157.01326	2.0
159.02876	1.6
161.04462	10.1
162.42023	0.9
169.12286	1.3
171.13844	0.9
191.05511	2.3
192.00473	1.2
192.35521	0.8
197.11710	1.9
205.07092	17.4
215.12830	4.0
231.05034	1.3
249.06206	4.4
259.76962	0.8
263.07687	17.7
264.08301	0.8
281.08777	30.8
282.09116	1.4
333.19125	2.6
345.11810	1.5
359.17010	1.6
377.14282	34.3
377.18170	100.0
378.14581	2.7
378.18854	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	377.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67153	1.0
57.03327	2.5
59.01252	8.3
62.12352	1.0
63.96107	17.9
69.25108	1.2
69.32018	1.0
71.01248	4.3
71.58897	1.3
72.99176	17.7
73.02854	1.1
73.98171	4.0
74.98962	8.2
76.28220	1.0
85.02825	2.0
87.00728	1.0
88.34798	1.0
89.02309	1.6
89.19865	1.1
93.03322	1.2
96.74388	1.1
96.95904	2.0
101.02327	3.7
113.05968	3.4
115.03891	12.3
117.97188	10.1
119.03429	1.2
120.99555	1.8
125.09585	2.4
134.03667	1.2
135.04398	3.6
135.98247	43.5
136.99062	7.8
141.12741	3.9
147.04451	1.5
162.03058	1.3
163.03882	1.2
191.03445	4.1
191.05539	2.9
193.15767	1.2
196.64078	1.1
211.17018	1.2
213.09016	1.4
214.09384	1.3
215.09528	1.6
228.12289	1.1
231.10059	2.0
239.16510	2.3
257.17538	100.0
258.17966	6.6
275.09158	3.6
276.66394	1.0
290.05649	1.5
377.16129	3.7
378.20364	1.3
381.83698	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	377.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67153	1.0
57.03327	2.5
59.01252	8.3
62.12352	1.0
63.96107	17.9
69.25108	1.2
69.32018	1.0
71.01248	4.3
71.58897	1.3
72.99176	17.7
73.02854	1.1
73.98171	4.0
74.98962	8.2
76.28220	1.0
85.02825	2.0
87.00728	1.0
88.34798	1.0
89.02309	1.6
89.19865	1.1
93.03322	1.2
96.74388	1.1
96.95904	2.0
101.02327	3.7
113.05968	3.4
115.03891	12.3
117.97188	10.1
119.03429	1.2
120.99555	1.8
125.09585	2.4
134.03667	1.2
135.04398	3.6
135.98247	43.5
136.99062	7.8
141.12741	3.9
147.04451	1.5
162.03058	1.3
163.03882	1.2
191.03445	4.1
191.05539	2.9
193.15767	1.2
196.64078	1.1
211.17018	1.2
213.09016	1.4
214.09384	1.3
215.09528	1.6
228.12289	1.1
231.10059	2.0
239.16510	2.3
257.17538	100.0
258.17966	6.6
275.09158	3.6
276.66394	1.0
290.05649	1.5
377.16129	3.7
378.20364	1.3
381.83698	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	377.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55252	0.7
55.57217	0.8
57.03323	6.5
58.08661	0.6
59.01247	33.2
69.03333	1.1
71.01247	9.9
71.04887	1.0
71.12580	1.7
72.99158	0.8
73.02798	0.8
73.98165	0.9
74.98973	2.4
75.00732	0.8
76.42331	0.7
85.02790	0.8
85.06444	2.0
86.17007	0.7
87.00749	5.4
88.03914	0.8
89.02319	1.6
93.03304	1.4
101.02301	2.2
102.98472	0.8
113.02333	1.4
115.03888	26.9
116.04211	0.7
119.03349	1.1
120.99523	9.8
133.01411	2.1
135.04361	0.9
139.11176	1.7
149.02333	1.1
150.03084	1.9
150.04106	5.4
165.05450	2.0
183.13741	1.8
187.07655	0.8
191.05519	2.1
192.77217	0.7
193.12221	0.9
195.06624	0.8
209.11774	1.9
215.09192	1.3
217.12753	0.7
227.51033	0.7
237.14903	4.0
255.15993	34.5
256.16302	2.0
257.17548	2.4
271.13800	1.6
275.09140	1.7
289.14771	34.5
290.15054	2.7
308.72415	0.7
311.31656	0.7
317.16022	0.7
359.15063	0.8
377.16354	100.0
377.25613	3.0
377.95471	0.7
378.16507	13.7
398.67578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	7.3
57.03310	8.2
58.00459	2.6
59.01251	45.4
67.01756	5.5
68.99673	3.3
69.03323	3.9
71.01250	61.9
72.99162	4.3
73.02822	19.0
75.00768	1.2
83.01244	9.3
84.02020	1.3
85.02820	49.6
85.99968	1.6
87.00742	13.3
89.02310	12.1
91.03895	2.1
95.01264	9.1
97.02863	1.5
99.00765	4.8
101.01680	2.8
101.02317	34.6
103.00271	2.5
111.00768	6.1
113.02325	45.3
113.05965	98.9
114.02672	1.5
114.06310	2.9
119.03368	2.6
127.03995	1.6
129.01807	5.1
133.01433	2.1
139.00261	2.5
143.03429	1.9
150.04178	2.6
157.01367	2.2
159.02841	2.6
161.00755	1.4
161.04485	6.9
169.12297	1.9
176.57866	1.3
180.89139	1.5
191.05540	2.2
197.11760	2.0
205.07092	17.8
249.06065	4.4
263.07693	15.9
281.08749	26.3
282.08887	1.8
363.89426	1.4
377.14276	29.0
377.18146	100.0
378.14413	3.2
378.18903	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	377.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03310	1.3
58.00453	0.6
59.01251	20.8
69.03336	0.6
69.55786	1.5
69.56203	1.1
71.01252	16.2
72.99163	1.6
73.02824	6.5
75.00745	0.6
83.01254	3.5
85.02827	6.1
85.18704	0.3
85.81456	0.4
85.99973	0.6
87.00751	1.2
87.04375	0.6
87.28050	0.3
89.02312	6.4
91.11726	0.3
93.03341	0.8
95.01261	1.6
97.02819	0.4
99.00761	1.8
101.02322	12.1
101.02990	0.8
109.58367	0.3
111.00766	0.5
113.02328	5.4
119.03358	2.0
123.03145	0.5
125.09603	1.1
133.01416	0.8
135.04419	1.1
138.05498	1.1
143.03418	0.5
143.52870	0.3
149.39746	0.4
150.04138	2.0
151.11223	0.6
153.09175	0.4
153.12726	0.4
155.10643	0.5
159.03032	0.5
161.04425	1.2
169.12248	1.2
179.05568	0.5
191.05528	1.4
194.04527	0.5
197.11789	5.2
215.12827	13.5
216.13161	0.7
242.39513	0.3
273.12482	0.5
304.72406	0.4
310.71829	0.4
359.17285	0.8
377.18134	100.0
378.18463	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	377.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64128	0.5
57.03265	0.9
59.01177	20.4
59.01507	2.3
61.74001	0.6
69.38365	0.6
70.82708	1.3
87.94500	0.6
95.04803	1.6
111.32952	0.6
125.09579	0.9
127.11078	0.8
141.08995	0.8
141.12691	0.6
144.48457	0.5
151.11108	2.1
154.21002	0.5
171.10172	36.5
172.10448	1.3
191.06679	0.6
199.27907	0.6
207.09985	0.8
209.07825	0.7
233.22702	0.9
249.22165	1.9
259.20810	0.7
277.21692	43.8
278.22046	4.4
293.21179	0.6
295.22760	100.0
296.23114	9.4
299.19833	0.7
317.20944	32.8
318.21350	2.8
333.22775	1.2
335.20880	2.3
336.20990	1.1
350.41800	0.6
356.68500	0.6
357.45297	0.6
360.15051	0.6
361.19946	4.7
362.20297	0.6
377.22775	26.5
378.22910	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	377.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33344	0.5
54.74895	0.5
57.03310	0.7
59.01247	18.1
62.45578	0.5
63.81701	0.4
64.36327	0.5
67.53073	0.4
70.34374	1.9
71.01237	1.0
80.33991	0.5
86.65103	0.6
95.04902	6.9
97.06475	0.8
99.08028	1.0
99.92439	2.4
113.09599	2.7
116.92722	0.6
121.31778	0.5
127.56384	0.6
171.10197	0.7
177.12842	0.6
179.14340	1.3
195.13823	17.8
196.14122	1.1
217.12019	1.4
246.12367	1.2
249.06131	1.1
249.11075	1.4
249.22192	1.2
254.02789	1.0
277.21704	18.8
278.11359	6.3
278.22003	1.2
279.12027	1.2
281.13620	0.8
295.22763	100.0
296.23129	8.5
299.19983	0.8
315.19281	1.8
316.19598	0.5
317.20950	45.3
318.21375	4.6
331.19086	0.7
338.12128	1.7
339.12796	0.7
341.10815	0.6
360.13928	1.4
361.19919	5.5
377.08694	0.7
377.22150	12.1
377.27267	1.0
378.22360	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	379.1609
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01754	1.6
57.03304	2.1
58.00443	2.8
59.01246	87.7
59.55310	0.9
60.01595	0.8
69.71590	5.7
71.01247	62.2
72.01594	0.9
72.99165	3.9
73.02814	19.4
75.46068	0.8
83.01260	4.0
85.02340	1.3
85.02821	14.4
87.00735	3.6
89.02312	100.0
90.02653	1.4
95.01249	3.5
97.06454	1.9
98.19817	1.0
99.00729	1.7
101.02316	36.7
113.02327	24.3
114.02637	1.5
117.92846	0.9
119.03390	30.4
125.02333	1.8
125.06007	4.7
131.03387	14.2
143.03401	6.2
143.07039	21.8
149.04456	22.2
155.10677	27.1
161.04443	7.8
179.05521	25.0
180.05762	1.2
186.13934	0.9
191.05513	4.1
199.09674	4.5
217.10759	37.5
218.11000	1.4
247.11826	7.6
259.11899	13.1
260.12048	1.2
319.13892	2.1
372.14923	0.9
379.16064	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68684	0.4
55.01761	0.5
56.81681	0.4
58.00477	0.8
59.01246	10.1
64.01798	0.4
69.34930	4.1
71.01246	4.6
73.02814	29.7
74.03181	0.6
80.99691	0.4
82.43201	0.5
85.02820	1.6
89.02316	3.1
95.04923	0.7
97.06465	7.3
99.08035	0.9
101.02330	2.3
113.02322	2.5
117.96317	0.5
119.03428	0.7
121.01162	0.4
125.05967	13.1
126.06297	0.7
137.09627	1.1
141.25423	0.4
143.07036	100.0
144.03262	0.4
144.07355	4.0
155.10677	67.0
156.10983	2.3
193.86792	0.4
198.02533	0.5
199.09767	4.6
217.10764	36.3
218.11095	1.6
259.11823	1.3
379.15298	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	379.197
Annotation	JBIR-57
Peak:m/z	Relative Intensity
54.47620	0.8
55.01746	2.7
57.03310	1.2
59.01247	19.3
67.57982	1.0
69.65421	3.5
69.65843	2.0
70.38974	0.8
71.01250	16.3
73.02814	100.0
74.03168	1.0
78.31670	0.9
83.01253	2.7
85.02819	8.6
86.03145	0.9
87.00751	1.5
89.02300	3.3
93.03364	0.9
95.01250	2.1
99.00726	2.7
101.02322	15.1
113.02330	5.8
159.02872	1.1
161.04475	5.1
169.27957	1.1
191.05643	1.2
305.16074	3.1
361.18634	1.9
379.19693	90.6
380.20038	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	379.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34349	0.5
55.01747	1.9
57.03322	1.6
59.01251	10.5
61.16531	0.5
71.01250	12.6
71.04887	0.8
71.58839	0.7
72.01590	0.5
72.99190	0.9
73.02818	84.1
74.03144	1.1
75.00729	0.6
83.01266	2.1
83.04887	0.5
85.02823	7.6
87.00755	1.4
89.02314	2.3
93.03314	1.4
93.32498	0.5
95.01238	0.7
99.00735	2.4
99.04396	0.7
101.02322	12.9
113.02315	4.8
119.03455	0.9
127.00240	0.9
135.04382	1.0
143.10587	0.6
145.03946	0.5
150.04109	1.0
159.02908	1.3
161.04456	3.3
179.03401	0.7
209.11868	0.6
217.04970	0.6
217.14432	1.8
305.15945	3.4
361.18723	1.1
379.19705	100.0
380.20084	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	379.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14797	1.6
58.08472	1.4
59.01248	100.0
70.88278	2.8
70.88607	1.6
78.95787	1.9
82.84876	1.2
87.93161	1.3
96.95897	3.4
113.22566	1.4
163.26349	1.3
183.23621	1.4
297.15381	2.0
379.12210	2.0
379.16638	3.0
379.21063	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	379.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.62092	0.8
69.78679	3.3
69.79095	2.2
71.01234	1.2
96.95879	1.1
98.20438	1.0
124.49976	0.7
170.19302	0.8
191.05560	2.8
219.33337	0.9
247.67871	0.9
299.20126	1.9
341.10718	1.1
379.08261	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	379.2851
Annotation	Persin
Peak:m/z	Relative Intensity
52.00470	0.7
69.54028	6.0
92.07737	0.7
99.18371	0.7
179.24786	0.8
284.86661	0.7
295.08923	1.1
347.25937	10.0
348.26202	0.8
363.15140	2.9
379.28503	100.0
380.28876	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	379.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01224	0.7
68.49093	0.7
72.29639	0.7
77.11303	0.6
99.92462	4.0
115.91923	1.9
116.92725	4.9
117.30454	0.6
133.82608	0.6
147.46501	0.6
178.92731	0.6
220.21539	0.6
261.18463	1.3
347.25888	9.0
348.26434	1.1
379.15732	1.7
379.28497	100.0
380.28928	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	380.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79937	0.8
59.01248	100.0
66.90011	0.8
68.09521	0.9
69.39394	5.4
69.39816	3.1
74.22285	0.9
78.95779	2.1
105.15542	0.9
113.36338	0.9
136.29549	1.1
152.99467	4.5
174.99130	1.4
212.53761	0.8
217.00247	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	381.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
59.01243	2.9
64.04762	0.6
69.03307	0.7
71.01245	1.7
71.58836	1.0
85.48132	0.7
87.00723	0.7
90.39098	0.6
91.01786	0.9
93.03352	0.7
95.01271	1.1
96.95863	1.7
117.03350	11.1
117.14675	0.6
119.01317	1.7
119.04908	100.0
120.05251	3.0
130.04140	0.9
131.04903	2.5
131.73146	0.7
133.02872	1.3
135.00838	1.0
145.02846	28.8
146.03221	1.0
147.00774	1.9
147.03284	1.2
147.04414	18.4
161.02330	1.3
163.00276	17.8
163.03935	5.0
164.00705	1.0
173.06018	1.5
175.00415	0.9
175.03912	8.8
176.01038	3.4
176.04333	0.8
177.01793	3.3
183.71548	0.8
189.01854	15.7
190.99776	49.4
191.05481	1.9
192.00099	2.1
201.05472	2.5
206.02113	12.9
206.03976	1.0
207.04427	0.8
217.00336	1.0
219.02936	1.5
223.03952	0.7
235.04033	1.8
251.03455	2.0
253.05190	0.8
262.02655	4.0
263.03448	2.1
275.03568	1.4
275.08942	0.8
277.04993	9.4
278.05466	1.0
279.02997	4.9
279.06543	1.7
283.06265	0.8
290.02151	0.7
291.02811	1.2
305.04492	7.8
307.02408	3.0
307.05762	1.1
311.05899	0.9
319.02472	2.6
322.04865	2.3
323.01920	1.4
323.05484	9.7
337.03445	0.9
337.07193	1.4
349.03391	1.4
350.04199	1.0
351.05060	1.5
366.03775	21.4
367.04120	1.8
381.06052	13.8
381.13776	1.8
381.18756	0.9
382.06409	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	381.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.9
65.00211	0.5
69.03313	0.6
71.01250	6.4
71.07165	0.9
71.07545	0.8
73.02798	0.7
79.01772	0.6
81.03337	0.5
83.01258	1.3
85.02821	0.9
87.04389	0.7
89.05940	0.5
91.01760	8.8
93.03313	0.7
96.95908	0.6
97.02789	0.4
97.06472	1.1
101.02321	1.2
105.87932	0.5
109.06506	0.4
113.02320	1.4
119.01270	12.6
119.04913	0.5
121.02843	1.7
123.00787	0.4
125.02335	0.7
135.00746	1.4
147.00766	7.4
161.04506	0.4
163.00269	74.9
164.00591	2.3
173.05943	0.6
175.00325	3.5
175.07545	0.4
176.01076	1.7
177.01799	1.5
190.02509	0.5
190.99776	100.0
192.00107	4.5
201.05522	1.1
206.02130	10.3
217.00212	1.5
219.06525	0.5
233.10249	1.6
247.09464	0.8
267.12061	0.6
279.02960	0.7
291.02826	0.7
295.02423	1.2
307.02444	0.8
307.19016	0.8
310.04800	0.7
311.05499	0.6
322.04749	0.7
323.01599	0.5
338.04272	1.9
351.01419	0.6
353.06833	0.6
366.03760	40.0
367.04129	2.8
381.06131	58.2
382.06381	4.4
384.12943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0612
Annotation	Bikaverin
Peak:m/z	Relative Intensity
52.32332	0.5
59.01244	1.8
70.92843	1.0
71.01234	0.6
85.02789	0.5
87.00740	1.2
96.95847	0.5
97.06462	0.7
98.19757	0.5
105.84630	0.5
133.02783	0.5
134.03621	2.0
135.04433	0.8
160.74260	0.6
162.90646	0.5
173.05969	1.3
177.01797	0.5
178.02612	2.1
179.03287	0.6
179.40891	0.5
189.01845	0.9
191.05431	1.0
195.04442	2.5
197.06020	1.5
201.05473	1.9
207.04471	2.2
211.03822	0.8
217.00327	0.9
219.04520	1.2
219.06442	0.6
220.07271	0.6
223.03909	4.0
225.05533	0.8
234.03040	0.6
235.03941	3.1
239.03470	1.2
249.05363	0.5
251.03452	13.3
252.03787	0.9
253.05110	1.8
254.05875	0.8
263.03580	2.7
264.04175	0.8
265.04980	1.2
266.05594	0.6
267.02908	2.4
279.02972	9.0
280.03342	0.6
281.00940	0.6
281.04547	1.4
282.05356	2.3
290.02164	0.6
291.03021	1.8
292.03760	2.4
293.04498	2.2
293.10300	1.4
294.01813	0.6
295.02451	11.2
307.02432	17.4
308.02908	1.5
309.04007	5.9
310.04807	11.1
311.05148	0.9
319.02338	2.5
320.03192	2.2
321.03857	0.9
322.04672	1.0
323.01923	7.1
334.01093	2.0
335.01749	0.8
337.03418	3.2
338.04111	2.7
345.80362	0.7
348.02704	2.8
349.03500	4.7
350.00339	0.9
351.01407	19.0
352.01752	1.6
365.03000	8.0
366.03754	53.6
367.04019	3.7
381.06113	100.0
382.06461	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	381.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	13.2
59.87062	1.1
64.10949	1.1
67.01768	6.0
68.99686	31.5
69.03323	19.8
69.05223	1.0
71.01266	6.9
71.36453	2.6
72.99174	5.0
73.02810	1.9
75.00745	4.9
81.03313	1.3
83.01242	1.6
83.04891	4.8
85.02825	2.3
87.00751	4.9
89.02275	1.7
89.74001	1.1
93.03332	39.7
95.01263	24.3
95.04892	3.6
96.95863	2.7
97.02839	5.7
97.06445	2.9
99.00733	2.4
101.02319	40.8
101.18314	1.2
105.01802	6.5
107.04915	2.3
107.85379	1.3
108.02065	5.7
109.02828	4.0
111.04385	5.0
113.02307	2.4
119.04946	1.9
121.02847	25.7
123.04408	100.0
124.04688	2.9
127.00237	2.0
127.03873	9.4
133.02820	1.4
133.06441	1.7
134.03648	8.7
135.02888	8.4
135.04413	23.3
137.02345	17.5
147.04405	4.6
149.02344	33.6
149.05986	1.8
151.03879	3.3
152.99512	1.5
155.03403	68.9
156.03740	2.8
159.04410	1.2
161.06041	2.8
162.03110	3.4
163.03932	14.0
171.04413	2.4
173.04477	1.4
175.03903	6.2
175.06023	2.2
177.05452	6.2
179.03459	1.7
189.05511	3.9
191.03549	10.1
191.05315	8.5
193.04939	1.7
199.04073	1.4
201.82927	1.1
207.13969	1.1
217.04990	4.2
219.13803	2.1
231.10185	1.7
235.06061	15.2
247.13138	1.4
273.22763	1.3
275.09204	1.4
279.05060	38.6
279.08682	23.0
280.05386	1.4
293.10220	3.5
298.20322	1.4
311.07727	23.8
312.07901	1.8
331.08163	2.6
340.71353	1.2
349.09241	20.8
381.11224	1.4
381.15466	2.9
381.19452	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	381.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35227	1.4
59.01246	23.1
59.47815	1.9
67.01752	9.2
67.31316	2.1
68.99683	33.1
69.03321	21.3
69.39994	4.9
69.40407	10.9
71.01258	3.7
73.02824	1.8
75.00729	2.4
75.12017	1.9
78.95789	8.4
79.95611	2.8
80.96387	7.8
83.04892	4.3
87.00748	3.4
89.02361	1.9
93.03333	43.5
95.01254	38.5
95.04902	4.2
96.95894	6.1
97.02806	4.9
97.06467	2.2
101.02322	43.4
105.01826	2.5
108.02075	2.5
109.02828	3.0
111.00728	2.7
111.04416	4.2
113.02302	2.0
119.04925	4.7
121.02837	26.0
121.06473	1.8
123.04401	100.0
124.04684	2.7
127.00271	3.2
127.03869	13.8
134.03677	3.0
135.02878	7.0
135.04419	19.3
137.02328	24.3
147.04422	4.3
149.02344	37.1
149.05940	4.0
151.03946	3.0
152.99481	8.2
155.03398	93.4
161.04543	1.8
161.05981	2.9
162.03104	4.0
163.03917	17.2
165.05475	1.9
171.04437	2.2
175.03911	9.4
175.06041	2.0
177.05496	8.0
189.05455	2.6
191.03438	13.4
191.05530	8.5
193.04985	3.8
209.11836	2.3
217.04964	5.0
219.10298	2.2
219.13818	4.5
220.63058	1.7
235.03925	3.2
235.06059	18.7
265.71890	2.1
275.09201	4.7
278.79282	1.7
279.02359	3.7
279.05112	38.6
279.08704	28.0
280.05472	2.4
290.02139	2.9
295.02377	2.5
305.04593	5.9
307.02374	5.7
309.03986	3.6
310.05060	2.6
311.07730	36.0
312.08026	3.1
349.09277	29.1
350.04532	2.0
350.09375	1.9
351.01382	2.7
366.03674	7.0
381.06094	12.2
381.12241	8.4
381.19534	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.5
57.03323	2.9
57.14691	0.4
58.00446	0.8
59.01247	19.1
67.01751	0.6
68.99672	1.1
69.03310	2.0
70.44469	0.5
71.01250	35.3
71.58993	0.5
72.01562	0.4
72.99184	3.1
73.02816	13.8
75.00734	1.1
83.01251	7.9
84.02023	0.5
85.02817	19.6
85.99963	1.1
86.03143	0.6
87.00729	2.2
87.08009	0.7
89.02319	4.8
93.03324	1.9
95.01249	3.1
97.02831	1.7
99.00741	7.0
101.02319	42.6
102.02662	0.6
105.01840	0.7
111.00770	1.2
113.01516	0.8
113.02319	15.2
114.02641	0.5
115.03826	0.5
121.02839	0.7
123.04413	1.7
125.02332	1.8
127.00283	1.8
127.03884	1.2
129.01837	1.4
131.03348	1.0
135.04427	0.6
143.03395	1.6
145.03978	1.6
146.04330	1.3
147.04478	0.5
149.04408	0.8
155.03424	2.9
157.08612	0.5
158.06058	1.0
159.02913	3.9
161.03195	0.9
161.04465	16.0
164.03456	0.8
173.04364	0.7
191.05518	2.1
203.12741	0.8
205.03426	1.3
249.13391	100.0
250.13643	4.7
255.10791	0.5
279.08603	0.7
285.08810	0.6
293.12262	1.0
311.07724	1.1
329.59613	0.5
381.17636	15.2
382.11868	0.6
382.17731	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	381.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.5
57.03323	2.9
57.14691	0.4
58.00446	0.8
59.01247	19.1
67.01751	0.6
68.99672	1.1
69.03310	2.0
70.44469	0.5
71.01250	35.3
71.58993	0.5
72.01562	0.4
72.99184	3.1
73.02816	13.8
75.00734	1.1
83.01251	7.9
84.02023	0.5
85.02817	19.6
85.99963	1.1
86.03143	0.6
87.00729	2.2
87.08009	0.7
89.02319	4.8
93.03324	1.9
95.01249	3.1
97.02831	1.7
99.00741	7.0
101.02319	42.6
102.02662	0.6
105.01840	0.7
111.00770	1.2
113.01516	0.8
113.02319	15.2
114.02641	0.5
115.03826	0.5
121.02839	0.7
123.04413	1.7
125.02332	1.8
127.00283	1.8
127.03884	1.2
129.01837	1.4
131.03348	1.0
135.04427	0.6
143.03395	1.6
145.03978	1.6
146.04330	1.3
147.04478	0.5
149.04408	0.8
155.03424	2.9
157.08612	0.5
158.06058	1.0
159.02913	3.9
161.03195	0.9
161.04465	16.0
164.03456	0.8
173.04364	0.7
191.05518	2.1
203.12741	0.8
205.03426	1.3
249.13391	100.0
250.13643	4.7
255.10791	0.5
279.08603	0.7
285.08810	0.6
293.12262	1.0
311.07724	1.1
329.59613	0.5
381.17636	15.2
382.11868	0.6
382.17731	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	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37531	0.4
58.90248	0.4
59.01243	7.0
61.98705	0.8
67.81357	0.5
71.59209	0.6
78.11878	0.5
78.95770	6.7
78.96193	0.5
96.96855	0.7
135.76425	0.4
137.06003	0.9
138.06784	0.7
149.06009	0.8
151.07547	1.1
152.99480	12.8
155.20261	0.5
170.05753	3.7
174.99165	2.0
199.13289	0.6
217.00256	9.8
233.19077	1.9
235.20653	1.5
251.20111	2.6
255.15965	1.4
277.18073	75.1
278.18457	5.5
279.19647	23.9
280.19934	2.3
295.19119	100.0
296.19476	8.4
317.57364	0.5
345.24484	1.5
363.25369	17.8
364.25790	2.1
381.26465	7.1
382.26617	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	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.5
68.08195	0.2
71.01284	0.3
71.07375	0.4
71.07700	0.4
78.95765	1.9
83.46029	0.2
99.08380	0.2
101.06030	0.4
109.02884	0.3
109.06480	0.6
111.08046	0.5
134.07294	0.2
137.05977	1.0
138.06813	0.6
139.07552	0.3
149.06013	0.9
151.07552	1.5
152.99484	4.3
161.71655	0.3
164.08362	1.0
165.09132	0.3
170.05753	4.1
171.00572	0.3
171.06133	0.3
174.99138	0.6
176.81024	0.2
179.10565	0.3
181.12236	0.3
192.11482	1.0
199.13287	0.5
217.00237	3.6
217.15970	0.3
219.17575	0.3
221.15361	0.3
233.19025	1.9
235.20628	1.5
241.69800	0.2
249.18741	0.6
251.20131	3.3
252.20572	0.2
259.17044	0.4
261.18515	0.6
277.18069	86.9
278.18414	7.7
279.19632	26.7
280.19910	2.4
295.19116	100.0
296.19461	9.5
306.18393	0.6
328.04239	0.2
335.25995	0.4
345.24231	0.7
363.25388	16.9
364.25671	2.5
381.26385	6.3
382.26703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32013	0.3
59.01241	2.4
59.28625	0.3
66.48480	0.3
69.18182	0.3
69.33631	0.3
71.04886	0.3
71.07677	0.7
78.95766	2.3
115.17941	0.3
120.92429	0.3
127.11192	0.5
138.06729	0.4
149.05936	0.3
151.11156	1.0
152.99489	5.5
153.12758	3.3
155.14284	0.4
155.85362	0.3
161.12459	0.3
163.11140	2.0
165.09097	0.5
165.12741	3.5
170.05746	2.7
172.45978	0.3
174.98991	0.6
179.10686	14.0
180.11023	0.7
181.12253	35.0
182.12630	1.9
195.10211	2.1
197.11780	1.1
199.13321	100.0
200.13695	6.2
200.15436	0.2
215.12822	3.7
217.00237	3.0
244.55811	0.3
346.01062	0.4
363.25314	5.0
364.25604	0.6
381.11230	0.7
381.26443	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	382.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	11.2
62.34610	0.7
65.85742	0.7
67.13422	0.7
68.91664	0.9
70.33469	1.4
70.33841	3.2
71.01262	9.9
72.99170	4.1
73.02805	1.6
75.00742	19.9
85.02816	3.3
85.03600	0.8
87.00752	15.9
89.02309	4.5
94.56040	0.9
98.02345	3.8
98.19871	1.3
101.02308	5.5
113.02300	2.3
115.05386	6.2
116.04944	2.9
119.03339	1.7
119.04894	1.4
121.02854	1.3
122.45350	0.8
130.06519	9.6
132.04446	25.1
133.04778	1.1
134.06017	1.1
135.04359	1.0
144.04408	2.1
147.04352	1.6
149.02272	0.9
149.06221	0.9
157.05226	1.2
158.06018	100.0
159.06326	3.6
161.04449	1.2
164.04720	1.2
174.05519	3.8
176.07109	2.7
192.00491	3.1
202.05032	41.3
203.05315	1.8
207.02858	4.3
220.02568	0.9
220.06082	12.4
223.06059	1.6
230.11195	0.8
237.06104	6.8
249.06114	8.6
262.07181	1.3
310.64175	1.0
334.88089	0.9
382.11389	54.0
383.11789	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	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
63.27266	0.7
70.92828	1.7
71.01261	1.3
79.95596	1.0
80.96398	2.4
98.88364	0.7
139.80666	0.7
175.95316	0.9
209.11713	1.1
222.48268	0.8
248.82870	0.7
255.23164	1.1
299.04623	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	383.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.2
59.01241	3.3
62.58689	0.6
63.60812	0.6
66.64594	0.6
67.01746	0.5
69.03323	100.0
69.34366	1.4
69.34770	4.0
69.67237	0.6
70.03659	1.9
71.01262	3.3
71.03073	0.6
72.99179	2.4
73.02847	0.5
74.41634	0.5
78.81338	0.5
79.01781	1.4
85.02819	1.8
85.87040	0.6
87.00732	1.2
89.02301	1.4
93.03358	1.2
95.01265	2.2
96.95872	1.6
97.02823	20.8
98.03102	0.6
99.00753	25.3
101.02316	1.5
113.02335	1.0
119.03387	1.2
123.00751	1.6
123.04368	0.6
131.03653	0.8
137.02386	0.9
137.09654	0.7
141.01828	7.7
152.99527	0.6
153.09131	2.0
161.02200	0.4
161.03467	20.1
185.00827	57.5
186.01183	2.0
191.05569	1.1
197.08287	1.4
200.94383	0.6
203.10519	0.7
221.11736	0.6
383.09756	10.3
383.17096	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	383.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	15.0
59.56625	0.4
68.22560	0.4
69.76968	2.1
69.77379	1.0
71.01239	0.7
75.74239	0.4
95.73750	0.4
98.82980	0.5
109.02807	0.5
113.17783	0.4
117.03457	0.5
123.04388	0.5
133.02863	3.6
140.34111	0.5
158.06030	1.0
161.02342	100.0
162.02686	5.4
191.05547	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	383.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01312	2.1
57.03314	6.3
58.00462	2.3
59.01245	19.3
69.03304	4.5
69.96420	12.4
71.01259	11.0
72.99166	4.0
78.92178	2.4
83.01260	7.1
83.04890	2.1
83.92494	2.3
85.02824	4.8
93.06977	2.3
97.06477	5.6
100.32589	2.2
101.02376	2.4
109.02843	2.1
109.06414	2.4
111.08027	18.2
113.02291	4.7
119.08535	2.8
123.00645	2.1
123.04396	10.2
123.08047	5.5
125.09607	32.9
126.05504	4.4
126.09929	3.9
127.05855	2.2
127.07573	2.8
127.11160	12.4
135.08009	4.4
137.09581	13.1
138.05493	2.2
139.11131	2.9
141.09138	6.6
151.07594	3.2
151.11177	6.2
153.09116	5.4
155.10616	3.6
161.04431	2.9
164.08287	2.6
165.09151	4.0
167.10632	2.5
171.10156	28.1
172.10522	4.4
183.10039	6.5
187.09662	4.4
193.08383	9.4
195.10146	6.4
199.09776	2.7
201.11244	92.7
202.11676	12.9
202.13171	2.3
209.07838	7.0
209.11719	6.7
213.11244	54.9
214.11563	6.5
223.09467	67.9
224.09700	4.0
227.12862	7.4
231.10048	6.1
235.09441	30.9
236.09792	2.9
249.11066	12.7
260.10239	25.9
261.10577	2.2
261.18607	3.7
278.11322	53.7
289.18146	17.6
291.19699	2.7
305.17587	3.7
307.19073	36.1
309.04285	2.2
309.20691	4.4
311.16302	3.5
322.17322	5.4
323.18774	3.6
325.20187	90.7
325.24103	4.8
326.20508	10.1
329.17303	100.0
330.17618	7.2
341.19272	2.6
347.18329	32.2
356.21423	3.6
365.21692	3.9
379.36581	2.8
383.11090	5.7
383.15845	65.4
383.23141	19.2
384.16412	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	383.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59882	1.0
57.03316	3.1
59.01253	11.7
60.21419	1.1
63.02265	1.4
65.00185	1.8
69.03343	1.6
69.71290	3.1
69.71715	3.7
71.01256	4.4
71.04893	2.6
73.02821	1.1
78.64717	1.1
80.02548	3.2
83.01257	2.1
83.04926	1.2
84.02051	2.9
85.02827	1.7
87.00752	1.2
89.02352	1.7
89.10308	1.1
97.02851	1.9
97.06474	2.5
101.02292	2.4
107.01289	4.0
108.02043	4.4
109.06412	1.0
113.02345	1.2
119.03419	1.0
121.02874	1.1
123.08039	3.4
125.09607	23.3
127.11096	1.5
134.03648	3.3
135.04375	4.3
136.01544	4.1
137.09619	18.7
139.11235	1.5
141.09131	4.5
142.75143	1.3
151.00281	7.6
151.11168	2.1
153.09116	12.0
154.09929	1.4
155.10727	5.8
160.17653	1.1
161.04489	1.7
164.01068	5.0
164.08377	1.1
167.10669	1.1
171.10139	4.1
174.03104	3.9
175.03865	1.9
179.10675	1.0
181.08430	2.1
181.12335	1.7
182.09254	1.4
187.09721	1.8
189.05583	1.2
193.08405	10.7
194.52617	1.1
196.00053	9.1
198.03094	1.4
199.03911	6.6
201.01839	2.9
203.10641	1.4
209.07886	13.6
209.11714	2.0
215.03397	2.2
221.11601	2.3
223.09526	2.7
225.07375	1.4
231.10007	4.5
232.18617	1.1
241.04968	1.2
242.05740	1.1
245.02586	4.4
247.09471	2.5
248.10249	1.9
249.11081	9.3
257.04553	1.6
258.05301	1.8
261.18518	2.3
279.19608	2.3
281.20938	1.3
285.04041	16.9
286.04758	19.7
291.19620	3.1
301.17691	1.7
303.19385	2.0
307.19110	18.5
308.19476	1.5
309.20801	6.9
313.05801	1.3
319.18973	5.3
325.20120	10.7
329.17322	6.9
341.10983	1.5
347.18353	100.0
348.18552	8.8
383.11157	9.9
383.15683	7.6
383.27164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1709
Annotation	Artesunate
Peak:m/z	Relative Intensity
54.71443	1.0
55.01747	3.2
57.03312	2.7
58.00454	1.7
59.01251	41.3
69.03332	1.6
69.34803	0.9
71.01254	39.3
71.58881	1.2
72.99176	1.9
73.02814	10.5
75.00745	5.5
81.03279	1.3
83.01253	7.7
83.04903	1.8
85.02824	15.9
86.13968	0.9
87.00751	2.8
89.02312	7.2
93.03334	1.8
95.01255	3.8
95.04915	0.8
97.02844	0.9
99.00766	5.7
101.02321	34.8
107.04929	1.2
111.00819	1.4
113.02332	14.6
115.72250	0.8
119.03409	2.5
119.93684	0.9
121.06480	2.4
121.10090	1.1
123.04398	2.2
125.02343	1.0
129.01842	4.7
137.02319	1.6
137.09622	30.5
138.09946	1.6
143.03265	1.0
147.08041	3.2
155.03413	1.4
159.02876	2.1
159.08041	1.7
161.02206	1.4
161.04446	3.2
161.09608	2.0
163.07510	2.5
163.11192	53.3
164.11516	2.0
175.11201	1.0
179.10707	1.8
187.07588	9.5
188.08282	4.2
201.09239	1.1
203.10710	100.0
204.11043	4.2
219.05037	2.3
221.04420	1.3
221.11809	11.1
245.11644	1.1
272.26248	0.9
351.10626	1.2
365.16052	18.8
366.16351	1.1
383.17096	73.6
383.50644	0.9
384.17432	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	383.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	4.1
57.03312	3.2
59.01249	42.9
71.01250	41.5
71.46429	2.8
72.99174	3.5
73.02820	11.2
75.00731	5.3
83.01250	6.3
85.02818	15.9
87.00749	4.2
89.02316	6.8
91.47812	1.6
93.03329	2.8
95.01275	2.5
99.00745	4.6
101.02317	32.2
104.16886	1.7
113.02336	18.3
119.03365	2.9
121.06432	3.9
123.04396	4.0
124.84299	1.3
129.01819	5.6
135.04408	1.9
137.02310	2.5
137.09604	37.4
138.09885	2.0
140.21779	1.6
147.07999	2.3
155.03397	2.2
159.02931	1.7
161.04465	5.9
163.07510	3.6
163.11191	53.9
164.11496	2.8
165.71660	1.5
173.09686	2.3
175.11066	2.6
185.09621	1.5
186.56956	1.5
187.07587	10.0
187.11308	1.7
188.08311	3.0
203.10709	100.0
204.11029	3.9
219.05136	3.7
221.11783	14.4
271.26941	1.6
297.91476	1.8
365.16031	24.4
366.16483	2.0
383.17081	94.2
384.17319	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.6
57.03307	0.6
59.01246	16.9
61.88516	0.5
67.01761	0.8
69.03323	100.0
70.03652	1.7
70.29833	0.8
70.30213	0.7
71.01250	11.9
72.99170	3.3
73.02803	1.4
78.53671	0.5
79.01771	1.7
82.63194	0.4
83.01265	0.5
85.02817	3.2
87.00753	0.8
89.02308	10.8
91.57157	0.4
95.01249	3.3
97.02824	17.2
98.03155	0.6
98.19951	0.6
99.00750	25.6
101.02316	5.3
106.24812	0.4
113.02312	4.5
113.61652	0.5
119.03375	4.0
123.00772	1.2
131.03355	0.6
135.11684	0.8
137.09613	0.9
141.01823	10.5
143.03394	0.7
147.35062	0.4
151.07561	0.6
153.09117	1.9
155.10670	5.3
157.35231	0.4
161.04459	0.8
161.09662	0.9
164.08366	1.0
179.05540	1.1
179.10681	3.6
185.00833	59.8
186.01149	2.1
191.05553	1.2
192.30377	0.5
199.09653	2.2
205.12242	4.0
223.07854	0.5
223.09654	2.6
223.13261	0.6
241.37378	0.4
353.02023	0.4
385.11234	6.2
385.18723	0.6
409.59448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.7
57.03326	4.3
59.01245	16.4
59.56471	0.6
63.96106	2.3
67.01765	1.0
67.42517	0.6
69.03323	100.0
69.15237	0.5
70.03662	1.4
70.54598	2.3
71.01249	12.7
72.99187	2.9
73.02811	1.6
79.01791	2.2
83.01270	0.9
85.02815	4.1
87.00748	1.1
87.04383	66.1
88.04710	1.0
89.02309	11.6
95.01265	2.3
97.02819	20.6
99.00750	25.2
101.02331	5.7
113.02326	5.5
119.03376	3.4
123.08012	0.6
125.05938	0.8
125.09614	1.9
141.01830	9.6
146.16129	0.7
153.09105	3.5
155.10667	4.6
161.04469	2.4
161.43884	0.6
163.11203	1.4
165.09117	2.3
179.10713	2.8
181.12318	0.6
185.00822	69.3
186.01257	2.2
187.11043	0.8
191.05603	2.2
199.09720	1.3
203.02003	0.6
205.12248	9.6
223.09862	3.5
223.13359	9.4
290.20343	0.7
343.44986	0.6
385.11310	13.3
385.19586	1.4
386.11600	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.8
59.01251	20.6
67.01773	1.1
68.99679	1.9
69.03329	3.4
69.92798	2.4
69.93210	1.4
71.01253	25.2
72.99174	4.3
73.02815	2.2
75.00743	19.3
75.01183	0.8
83.01257	1.6
85.02820	25.7
87.00757	9.5
89.02307	7.2
91.03871	1.5
91.05405	20.8
92.05735	1.4
93.03339	1.4
93.45788	0.6
95.01256	7.6
97.02827	2.7
99.00759	12.6
101.02315	1.5
103.00255	2.8
107.41969	0.6
111.00736	0.9
113.02328	37.6
115.00271	2.3
117.01817	4.2
117.03381	3.7
119.03394	0.6
121.02857	4.6
129.01816	2.7
135.04402	10.5
141.01817	3.0
155.10680	4.3
175.02390	2.1
185.00874	1.7
205.07170	1.4
207.05022	1.7
223.08138	0.9
231.05052	2.9
249.06131	38.8
250.06458	1.6
267.07196	100.0
268.07541	4.4
385.11377	37.3
386.11676	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	385.1139
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01247	1.4
66.36208	0.6
69.95212	3.4
71.01244	0.9
72.19922	0.6
72.99173	0.6
85.02814	1.0
93.03333	2.1
98.19836	0.6
113.02290	0.9
121.02838	13.3
134.03664	0.8
135.04404	4.2
137.02367	0.8
149.02342	100.0
150.02629	4.8
151.04007	0.8
152.01054	7.0
163.03911	5.5
164.04697	85.3
165.01846	2.5
165.05008	3.6
167.03326	0.7
169.04938	2.8
179.05453	1.1
179.07042	22.7
180.04247	0.7
180.07455	1.6
193.01353	15.7
206.99281	1.9
208.03708	38.5
209.04010	2.1
223.06058	86.5
224.06438	4.7
265.07129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01262	1.0
69.96107	1.5
69.96503	1.6
71.01237	1.3
75.00749	0.7
85.02836	0.9
93.03319	1.5
113.02316	1.8
121.02832	7.4
126.93359	0.8
135.04402	3.3
149.02347	44.0
150.02686	2.0
152.01041	7.7
163.03909	7.2
164.04688	35.8
165.01784	1.8
165.05005	1.7
167.03442	1.1
169.04993	4.0
179.07043	11.1
193.01344	20.6
208.03708	43.6
209.04062	1.9
223.06061	100.0
224.06398	6.1
249.06427	0.8
267.07230	4.9
290.24103	0.8
303.52298	0.7
357.77884	0.7
385.11481	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	385.1504
Annotation	Icariside H1
Peak:m/z	Relative Intensity
53.70797	1.0
55.01760	2.6
57.03319	1.8
58.00460	2.5
59.01250	98.3
62.12838	1.1
62.31407	1.1
69.03313	3.1
70.23092	1.2
71.01251	64.9
71.46339	2.3
71.46676	1.1
72.99187	4.4
73.02806	3.5
83.01256	3.6
83.20546	0.9
84.02039	1.1
85.02830	14.6
87.00743	2.4
89.02314	56.9
95.01276	5.4
97.02857	1.5
98.65009	1.1
99.00765	2.1
99.04406	2.9
101.02317	25.1
103.30857	1.2
106.50514	1.1
110.52759	1.2
111.04437	2.2
113.02330	21.4
119.03390	21.2
131.03381	2.6
135.11694	4.8
143.03424	3.0
151.07561	1.6
153.09102	14.8
159.02968	1.2
160.49474	1.3
161.04486	4.5
161.09631	9.8
175.11302	1.2
177.12769	1.4
179.05577	5.3
179.10693	28.2
189.08957	1.4
205.12241	10.8
222.48450	1.1
223.09692	100.0
223.13245	2.6
224.10049	4.0
265.10709	2.1
385.18692	4.7
391.19864	1.6
406.88779	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
55.13204	0.6
57.03322	3.0
58.00468	1.4
59.01250	22.7
65.37104	0.6
68.99687	0.7
69.02983	1.3
69.03324	8.4
69.58571	4.7
71.01250	13.4
72.99177	2.0
73.02816	5.6
79.05430	0.9
83.01241	1.5
84.51927	0.7
85.02821	7.0
87.00732	1.2
87.04369	0.8
89.02317	13.2
93.03347	1.8
95.01259	2.2
95.04897	1.4
96.95855	1.2
97.02821	3.3
97.06470	1.4
99.00755	2.4
99.04422	2.4
101.02312	8.2
107.04904	1.7
109.06489	1.5
111.04411	2.1
113.02332	8.9
114.02718	1.0
119.03391	4.0
121.06427	0.8
123.04398	1.4
125.02340	0.8
125.05932	1.1
131.03397	0.9
133.10149	1.7
135.11687	12.1
141.01849	1.2
143.03398	1.0
144.06554	1.2
146.07266	1.7
149.09607	1.2
151.11124	1.0
153.09109	2.1
155.10716	1.0
159.08130	1.3
159.11740	1.3
161.04456	1.7
161.09639	12.4
162.09933	1.0
163.11192	1.0
173.04514	0.8
173.23346	0.8
175.11165	0.8
177.12793	1.3
179.10696	100.0
180.11026	4.6
185.00848	4.1
187.11189	1.7
191.05577	4.2
192.55815	0.7
193.12358	1.4
203.10764	2.1
205.08614	2.7
205.12292	8.9
221.11746	2.6
223.09705	84.9
223.13316	3.2
224.10005	4.2
224.96649	0.7
260.35645	0.8
265.10858	4.6
359.42575	0.7
385.14523	1.4
385.18747	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	385.1503
Annotation	Icariside H1
Peak:m/z	Relative Intensity
54.76281	0.3
57.03316	0.9
59.01247	5.4
59.98371	0.8
60.40546	0.4
69.03067	0.3
69.03335	3.7
69.48191	3.3
71.01251	3.8
72.99165	0.5
73.02815	1.6
83.04878	0.5
85.02811	2.4
87.00722	0.8
87.04368	0.4
89.02316	2.6
93.03335	1.1
95.01270	0.6
97.02812	1.2
97.06487	0.6
99.00739	1.3
99.04398	2.4
101.02327	1.9
111.04380	0.5
113.02334	3.7
119.03364	1.2
121.02802	0.4
123.71618	0.4
124.05174	0.9
125.05891	0.9
127.65625	0.5
131.54794	0.4
135.11682	5.7
137.02280	0.5
146.07294	0.5
149.02350	1.4
153.09091	0.7
154.00330	0.4
159.11620	0.4
161.04454	0.6
161.09613	5.1
165.09120	0.8
173.04442	0.8
179.10684	23.3
180.11024	1.2
185.00792	2.0
191.05566	5.0
193.01329	1.2
205.08701	1.9
205.12314	1.8
221.11748	1.7
223.09695	100.0
224.10007	5.4
230.49408	0.4
254.39146	0.4
263.55511	0.4
265.10764	5.2
266.10986	0.4
343.21396	0.4
385.14523	0.7
385.18634	0.9
385.22546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45829	1.3
57.03317	9.8
58.00471	1.6
59.01250	11.7
60.32966	1.2
69.03320	1.3
69.40834	12.2
70.56926	1.3
71.01241	9.5
71.04851	2.0
73.02805	2.0
73.27172	1.3
74.96062	3.3
79.13668	1.3
82.72676	1.3
83.04896	2.0
85.02813	3.6
89.02301	6.9
97.02839	2.0
97.06443	2.1
98.19789	2.0
99.02950	1.3
101.02322	3.7
113.02309	2.4
113.09595	16.0
119.03357	2.1
123.08014	2.8
125.09612	14.4
127.11160	8.1
137.09544	3.3
141.09070	5.0
143.10660	2.0
151.11177	3.5
153.09096	7.5
155.10645	4.5
165.09041	3.9
167.10709	1.4
169.12218	1.8
171.10255	8.0
183.10033	2.3
193.08432	9.0
195.10165	4.1
199.09660	4.4
201.11256	68.9
202.11578	4.5
205.12201	3.1
207.09874	1.5
209.07880	4.6
213.11253	47.2
214.11539	2.4
223.09468	60.5
224.09726	2.4
227.12740	2.4
233.03937	1.4
235.09485	25.3
236.09645	1.5
241.09293	3.5
247.20546	1.5
249.11060	8.7
250.73863	1.3
259.05844	2.2
274.12051	1.5
291.19662	7.7
303.19055	2.0
304.67926	1.4
309.20688	13.4
327.21750	100.0
328.22153	8.3
328.25485	1.5
329.17245	1.5
331.18866	50.2
332.19141	2.9
342.17578	1.5
349.19867	10.2
385.13336	2.6
385.17560	66.2
386.17819	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	385.1869
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01754	5.4
57.03318	4.6
58.00468	1.2
59.01249	100.0
60.01591	1.1
61.96683	0.6
67.01757	0.7
69.03326	79.5
70.03670	1.7
71.01252	40.3
71.15217	1.5
72.01570	0.7
72.99174	5.8
73.02818	9.2
73.69398	0.6
75.00763	0.8
79.01742	1.3
83.01270	4.0
83.04890	0.9
85.02819	16.7
85.99992	0.9
87.00752	4.7
87.04394	1.6
89.01748	0.9
89.02312	19.2
93.03370	0.7
95.01266	4.9
95.04903	1.0
97.02238	1.2
97.02824	16.9
99.00751	23.1
99.04379	0.8
101.02319	22.8
101.03000	1.3
106.29373	0.6
107.04893	1.5
111.08025	1.0
113.02332	14.6
115.00235	0.7
119.03389	6.9
121.02777	0.6
121.06448	1.0
123.00803	1.1
125.02356	1.0
129.01807	1.5
131.03368	0.9
135.04358	0.7
137.09616	4.3
141.01826	7.2
143.03381	1.3
149.02274	0.9
149.04333	0.6
151.11154	1.0
152.08260	0.7
153.09015	0.9
153.12724	1.1
155.10637	3.8
159.02856	1.9
161.04457	4.9
161.09605	1.8
163.11185	12.4
165.09065	2.4
168.88246	0.6
171.08037	0.9
179.05464	0.7
179.10718	3.2
181.12250	26.5
182.12593	1.4
183.10127	0.6
185.00833	56.6
186.01100	2.4
187.11185	5.1
189.11369	0.5
189.12761	5.2
190.09947	4.6
191.05487	4.6
199.09645	1.3
201.12753	0.6
203.79597	0.6
204.11465	1.3
205.12263	11.0
206.12683	0.8
223.09698	3.9
223.13335	4.9
229.12160	1.1
247.13187	2.2
249.14783	0.6
256.34235	0.6
265.14243	1.5
271.75110	0.6
295.15353	0.9
312.08810	0.7
349.18442	0.9
385.11151	7.7
385.18607	7.3
386.11371	1.1
386.18637	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	385.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.2
56.02201	0.6
57.03319	2.3
58.00475	4.4
59.01248	100.0
60.01588	1.2
65.52922	0.5
69.03326	7.5
69.32531	4.0
69.32937	2.0
71.01249	67.8
72.01594	1.0
72.99190	4.8
73.02818	4.8
83.01263	3.9
83.04897	0.8
84.04656	0.6
85.02824	15.4
87.00755	3.7
87.04396	1.0
89.02312	80.7
90.02649	1.4
95.01263	4.7
97.02808	2.8
98.20585	1.0
99.00751	2.7
99.04395	2.3
101.02319	36.2
107.04910	1.0
107.48531	0.7
109.06449	0.7
111.04411	0.9
113.02323	28.3
119.03386	33.4
120.03730	0.8
121.06496	1.0
125.02341	0.7
125.09644	0.6
131.03397	2.5
133.10094	0.6
135.11688	2.6
137.05971	0.9
143.03386	4.2
149.04424	2.3
151.07547	2.4
153.09109	16.9
155.86292	0.6
159.02946	0.6
161.04469	8.1
161.09627	6.4
162.09914	1.0
175.07581	1.0
177.12756	1.0
179.05513	10.1
179.10686	18.2
180.11111	1.1
185.00797	4.0
191.05531	0.7
193.12306	0.7
205.12274	18.5
206.12622	1.5
223.09705	82.0
223.13303	4.2
224.10037	6.0
250.62590	0.6
265.10797	2.2
379.44064	0.6
385.18759	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	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.1
57.03320	3.1
58.00465	2.2
59.01247	50.7
59.18213	0.2
60.01582	0.6
68.99684	0.3
69.03322	0.7
69.58640	1.8
71.01249	66.9
72.01585	0.9
72.99178	3.5
73.02814	10.8
75.00739	0.8
81.03340	0.5
83.01254	4.6
83.04901	1.0
84.02043	0.3
85.02818	20.5
86.03127	0.4
87.00748	2.5
89.02311	32.4
90.02635	0.5
92.79114	0.2
95.01245	5.0
95.04887	1.6
97.02825	5.2
97.06457	0.5
99.00748	5.2
101.02315	35.6
102.02641	0.5
103.03889	0.3
105.01791	0.4
105.06984	1.2
107.04900	0.9
108.05696	2.3
109.02831	0.9
109.06470	1.4
109.64419	0.2
111.00805	0.4
111.04399	1.5
111.08035	0.8
113.02325	26.0
113.05956	3.0
113.45008	0.2
114.02661	1.0
119.03384	11.5
121.02840	1.7
121.06471	0.6
122.03632	2.0
123.04449	0.3
123.08040	4.4
124.01495	0.3
125.02346	1.0
125.05981	3.0
129.01830	0.9
131.03403	0.9
135.08034	0.9
135.67128	0.2
136.05197	3.8
137.06013	1.9
138.06757	20.5
139.00266	0.4
139.07555	9.4
140.07854	0.4
143.03392	2.8
147.08028	0.6
149.04434	0.7
149.05980	1.2
151.07545	21.0
152.04742	2.5
152.08330	45.4
153.09108	100.0
154.09444	4.5
159.02890	4.4
161.04456	18.2
161.09610	1.1
162.04788	0.4
163.11189	3.9
164.11598	0.3
165.09106	2.3
167.07030	2.3
179.05479	2.5
179.10715	0.5
187.11198	0.7
189.09099	1.1
190.09879	1.6
205.03479	0.6
205.12260	31.7
206.12592	2.0
223.06163	0.3
223.13327	15.2
224.13655	0.9
229.12299	0.3
233.10233	0.4
263.07275	0.3
300.52487	0.3
307.26819	0.3
349.16406	0.3
385.11288	0.3
385.18665	7.7
386.18976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.5
57.03324	1.5
58.00469	2.9
59.01249	81.0
60.01592	1.2
69.80380	4.0
71.01251	64.4
72.01599	0.7
72.99174	4.1
72.99519	0.6
73.02824	4.0
73.82180	0.5
83.01256	1.9
85.02824	12.1
87.00736	3.8
89.02313	100.0
90.02639	1.7
95.01281	3.6
95.01800	0.6
98.20477	1.2
99.00758	1.9
101.02319	43.1
102.02657	1.3
113.02327	34.4
114.02647	1.2
115.06364	0.6
119.03383	46.9
120.03697	0.8
123.08024	1.6
125.02356	1.6
131.03372	3.5
135.08022	0.6
143.03398	7.5
147.07965	1.2
149.04474	4.0
153.09109	10.5
154.09245	0.7
159.02858	1.2
161.04469	10.0
179.05513	15.6
180.05807	0.6
187.11125	1.5
189.75563	0.6
203.10674	0.8
205.12259	18.0
206.12521	1.0
223.13312	3.2
234.79361	0.6
321.25931	0.6
344.69775	0.7
360.08603	0.6
385.18616	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	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
57.03322	2.4
58.00468	3.7
59.01249	100.0
60.01599	0.8
67.50778	0.4
69.03324	0.6
71.01251	67.0
72.01584	0.8
72.99178	5.3
73.02815	4.2
73.06038	0.4
83.01255	3.0
85.02818	14.6
87.00755	3.3
89.02314	91.1
90.02611	1.9
95.01272	4.4
97.02826	0.6
98.19829	1.0
99.00751	1.5
101.02319	42.6
102.02682	1.2
107.04910	0.6
113.02327	32.0
114.02666	0.7
115.03902	0.5
115.29259	0.4
119.03385	41.7
120.03734	0.9
123.08005	2.5
125.02239	0.8
131.03395	4.5
135.08041	1.1
143.03401	6.8
147.08058	1.6
149.04482	3.2
153.09106	11.0
154.09451	0.8
159.02945	1.0
161.04466	8.8
163.11168	0.7
165.09119	0.7
179.05524	14.4
179.10716	0.5
180.05872	0.5
187.11212	1.7
189.09048	0.7
203.10675	0.6
205.12276	14.9
206.12598	0.9
223.13338	3.1
385.18646	14.2
386.19055	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	385.223
Annotation	Oleandolide
Peak:m/z	Relative Intensity
54.39850	0.4
57.03301	0.5
59.01248	7.3
69.03336	0.7
71.01251	4.7
72.99161	0.7
85.02818	1.2
89.02306	4.0
91.03873	2.4
97.06460	0.9
98.20547	1.6
99.07998	0.5
101.02302	2.1
113.02316	1.9
119.03364	1.3
121.02847	1.1
122.03612	1.1
125.02346	0.9
125.09630	0.7
152.08336	0.7
153.09076	1.9
161.04398	0.7
167.14322	3.0
168.04245	0.5
179.05402	0.6
183.13710	0.4
191.05536	1.5
193.15910	1.2
201.11266	1.1
205.12247	1.4
207.17429	1.7
211.13312	0.6
223.20653	2.1
229.59212	0.7
231.17444	0.7
233.15448	0.6
246.39009	0.4
247.17047	0.5
249.18556	7.9
250.18964	0.7
267.19626	100.0
268.19940	7.4
275.16486	12.2
276.16861	1.3
288.06195	0.9
293.17572	67.8
294.17932	5.5
311.18655	12.0
311.22128	0.6
312.18900	1.1
367.21240	8.0
385.22272	61.3
386.22623	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	387.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57222	1.1
57.04745	1.1
57.12516	1.1
58.00464	2.4
58.02543	1.2
59.01248	100.0
68.99689	1.3
69.03323	11.1
71.01250	38.1
71.58129	2.7
72.97391	2.4
72.99181	9.4
73.02814	2.9
75.00758	1.9
81.03323	1.8
83.01248	2.9
85.02827	9.8
87.00745	5.7
89.02315	28.0
91.05383	3.8
93.03321	10.1
95.01251	3.6
95.04885	2.0
96.95868	3.2
97.02819	35.0
99.00764	4.2
101.02313	19.3
103.00240	2.9
107.04910	11.8
108.02029	1.8
109.02825	1.5
111.00784	1.5
113.02323	16.7
117.03335	2.4
119.03396	9.8
119.04871	7.5
121.02831	8.7
123.04375	8.0
125.02317	2.3
131.03368	2.1
133.02837	3.8
135.04416	24.2
137.02374	6.3
141.01848	3.6
145.02820	10.1
147.02850	1.8
147.08089	1.6
149.02356	2.7
149.05991	1.5
151.03897	3.7
161.02353	1.9
163.02510	2.4
163.03915	51.1
163.07547	2.3
163.11188	39.4
164.04358	3.0
165.05502	2.4
166.02531	1.8
166.43497	1.2
177.01808	1.7
177.05536	1.4
179.03423	3.4
181.02858	1.2
181.04944	3.8
185.00826	2.5
189.01880	3.7
191.05424	2.0
192.04175	2.6
193.03426	12.1
197.07787	1.1
207.02942	13.6
207.06572	5.7
207.10294	1.4
223.05931	1.7
225.07613	1.4
335.77042	1.3
357.21362	1.2
387.09277	5.8
387.16629	96.7
388.16974	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	387.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.2
57.03316	0.6
58.00461	0.8
58.77161	0.2
59.01249	12.6
59.17561	0.2
67.01780	0.4
68.99686	13.7
69.03322	1.4
71.01251	11.2
71.35423	0.4
72.01578	0.4
72.31166	0.2
72.99171	1.8
73.02806	0.7
74.98990	0.2
75.00733	2.9
81.03326	0.7
83.01256	0.6
85.02818	4.4
85.73549	0.2
86.03146	0.4
87.00732	1.5
87.03242	0.3
89.02314	10.4
91.03906	0.3
91.05404	0.6
93.03332	42.7
94.03671	1.1
95.00698	0.3
95.01263	3.3
95.04910	1.1
97.02831	0.6
99.00756	1.6
99.04375	0.5
101.02319	30.4
102.02657	0.6
103.00235	0.4
107.04919	0.4
108.02016	0.3
109.02835	0.4
111.00778	0.4
111.04434	0.2
113.02326	6.0
114.02664	0.5
115.00274	0.3
115.02770	0.3
117.01811	0.6
119.03391	2.9
119.04922	0.8
121.02844	3.0
121.06487	0.3
123.04404	8.7
125.09595	0.8
127.03905	0.6
131.03377	0.5
135.04420	0.9
137.02338	100.0
138.02666	3.6
139.00269	0.5
143.03365	0.6
145.02821	0.2
147.04402	0.6
149.02347	2.5
149.05986	0.7
151.03912	3.5
153.05482	1.2
155.03404	4.1
161.02332	0.4
161.04503	0.5
163.03883	0.6
164.04617	0.3
165.05472	1.7
166.06279	3.6
175.02422	0.4
175.03841	0.4
176.04697	0.6
177.05490	0.8
179.05489	0.8
179.06947	0.2
181.04988	4.3
181.08598	1.3
189.05455	0.3
191.05531	0.5
191.07095	0.7
193.03381	0.4
193.04991	2.9
193.08566	0.3
194.00381	0.3
195.06580	0.5
197.08121	0.8
207.06622	1.1
209.02615	0.3
211.06096	0.3
213.62073	0.2
221.08067	0.3
225.05797	0.8
225.07654	9.2
226.07968	0.6
241.14500	0.3
249.06119	20.3
250.06464	1.1
251.06567	1.3
251.12852	0.7
267.07230	0.8
268.07452	1.6
269.07645	3.6
275.00375	0.2
279.25247	0.2
355.10385	0.4
387.09375	3.5
387.12900	1.6
387.16864	0.8
388.09503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	0.8
59.01247	21.6
67.01762	0.6
68.18625	0.4
68.99686	42.2
69.03327	2.5
69.43582	0.4
69.74763	1.2
69.75175	1.2
71.01249	17.3
72.99176	2.1
73.02808	0.8
75.00745	0.5
83.01265	1.2
85.02815	2.5
87.00748	1.1
89.02312	18.6
93.03328	4.4
95.01261	5.6
95.04900	1.2
97.02834	0.6
97.34114	0.4
98.20533	0.5
99.04379	1.3
101.02319	100.0
102.02642	2.0
107.04897	1.3
111.00727	0.7
113.02316	7.2
119.03386	7.1
119.04890	1.4
121.02838	7.8
121.06516	0.7
123.04405	25.9
124.04719	0.9
127.03915	1.6
131.03360	0.8
133.06444	0.6
134.03592	0.5
135.04422	2.1
137.05966	2.0
143.03403	0.8
147.04449	1.4
149.02338	9.3
149.05972	2.2
153.05472	0.9
155.03397	13.1
156.03702	0.5
161.04565	0.6
161.05971	1.3
163.03874	2.2
165.05453	5.3
166.05659	0.5
175.03862	0.6
177.05515	1.7
179.05522	1.6
181.04971	17.2
182.05324	0.8
189.05472	0.6
191.03516	0.8
193.04985	8.1
193.08633	0.5
195.06511	1.1
197.08131	3.3
205.04941	0.7
207.06465	0.9
221.08080	1.0
223.06117	1.7
225.07619	10.1
225.09749	0.8
226.08014	0.7
249.07886	0.7
278.39911	0.4
309.43442	0.5
355.10370	1.2
387.12924	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	387.1293
Annotation	Syringoxide
Peak:m/z	Relative Intensity
54.02811	0.2
55.01754	0.5
57.03312	0.7
58.00465	1.2
59.01247	25.7
60.01593	0.2
67.01760	1.0
68.99684	50.7
69.03324	3.7
69.46564	0.7
69.46990	0.6
69.99654	0.2
69.99992	0.8
70.03674	0.2
71.01250	22.4
72.01565	0.3
72.99178	2.3
73.02798	0.8
75.00751	0.9
79.01759	0.2
81.03342	0.3
83.01239	1.1
83.04880	0.3
85.02819	4.0
85.03330	0.2
87.00735	2.4
89.02310	18.6
90.02665	0.2
91.05381	0.3
93.03325	5.1
95.01256	7.8
95.04893	1.7
97.02823	0.7
98.19779	0.3
99.00764	0.8
99.04371	1.3
101.02316	100.0
102.02650	1.9
105.03341	0.2
106.04095	0.4
107.04910	1.6
108.02051	1.1
109.02821	0.4
109.06472	0.2
111.00730	0.6
111.04405	0.4
113.02323	8.3
114.02637	0.2
119.03386	7.5
119.04855	2.0
121.02839	11.7
121.06499	1.0
122.03117	0.2
123.00774	0.6
123.04403	26.9
124.04726	0.7
125.02329	0.5
125.09611	0.2
127.03886	2.2
131.03374	0.6
133.02846	0.2
133.06464	0.6
134.03615	0.5
135.04395	1.8
136.01540	0.2
137.02266	0.4
137.05971	2.7
138.03052	0.2
139.00314	0.2
143.03462	1.0
145.02844	0.4
147.04433	1.8
149.02341	10.3
149.04297	0.4
149.05988	2.1
150.02831	0.3
151.03868	0.7
151.07536	0.2
153.05472	1.0
155.03395	14.5
156.03719	0.4
161.04446	1.0
161.05948	1.0
163.03891	1.9
163.07623	0.2
164.04626	0.3
165.05482	5.2
166.02560	0.2
167.07024	0.5
175.03886	0.7
177.05487	2.0
179.03429	0.2
179.03923	0.2
179.05476	1.7
179.07040	0.5
181.04968	16.1
182.05286	0.4
189.05385	0.8
191.03329	0.4
191.05515	0.4
191.07027	0.3
193.04970	8.5
193.08586	0.5
194.05246	0.4
195.06602	0.8
197.04300	0.2
197.08115	3.1
201.18758	0.2
205.05020	0.4
207.02995	0.2
207.06525	1.2
217.04927	0.3
221.08092	0.6
223.06100	1.1
223.13274	0.6
225.07623	10.4
225.14861	0.9
226.07883	0.6
235.06065	0.6
241.14354	0.5
249.07617	0.3
267.08682	0.4
283.08240	0.3
287.96005	0.2
311.10309	0.3
327.10883	0.3
343.10110	0.2
355.10306	1.5
387.12796	4.0
387.20108	3.8
388.13181	0.5
388.20230	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	387.1658
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01768	1.2
57.03333	0.8
58.00472	1.5
59.01248	100.0
59.89124	0.6
60.01600	0.8
68.99686	16.7
69.03332	1.9
70.04696	1.6
70.05110	1.0
71.01248	25.2
72.99175	3.4
73.02818	2.0
83.01280	1.8
85.02821	7.3
87.00765	1.8
87.57986	0.5
89.02312	25.3
93.03341	3.4
95.01256	3.8
95.04893	0.8
97.02834	1.0
99.00773	1.3
99.04401	1.0
101.02317	44.0
102.02695	1.1
108.02042	0.9
111.04401	0.7
113.02319	10.0
119.03386	10.2
119.04832	0.7
121.02821	3.7
121.09943	0.6
123.04400	9.4
125.02270	0.7
131.03368	0.8
135.04367	0.7
137.02362	0.6
137.05983	1.4
137.09579	0.8
143.03391	0.8
147.04466	0.5
149.02333	3.3
149.04480	0.7
149.05914	0.6
151.03894	1.5
153.05495	0.8
155.03392	5.3
161.04462	1.6
163.03908	1.0
163.11183	13.0
164.11528	1.0
165.05487	2.2
173.04495	1.1
173.09740	0.5
179.05553	1.5
181.05006	5.7
191.05553	9.0
191.07124	1.2
192.05907	0.9
193.04994	2.8
197.08089	0.8
207.06601	0.7
207.10208	2.3
225.05786	0.8
225.07695	4.1
225.11267	0.8
280.23355	0.5
327.54004	0.6
387.16592	83.7
388.16971	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01753	0.7
58.00460	1.7
59.01248	87.0
59.61202	0.6
60.88326	0.6
67.72376	0.6
69.03313	1.0
70.07571	3.1
71.01250	19.1
72.99183	2.2
73.02793	1.1
83.01263	1.5
85.02821	4.6
87.00735	1.3
89.02312	15.1
95.01276	1.8
95.04929	1.2
96.84035	0.5
96.95879	2.8
99.00757	1.2
101.02315	12.1
107.04943	0.7
109.06509	0.6
113.02311	6.1
119.03386	5.4
132.05141	0.6
141.28745	0.6
147.08104	1.3
149.02330	1.5
161.04507	0.7
163.11191	47.3
164.11519	1.8
166.02577	0.7
171.25143	0.7
177.01810	0.9
185.00818	0.9
193.01299	0.7
194.01828	0.8
209.04431	1.3
223.06062	0.9
224.06358	0.8
225.06451	1.0
225.11252	1.0
358.54044	0.7
360.89124	0.7
362.99261	0.7
369.15515	0.8
387.16638	100.0
388.12820	0.9
388.17035	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	387.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09589	0.8
55.01728	1.1
57.03325	1.3
58.00455	1.2
59.01248	89.5
61.78885	0.9
69.03324	1.7
70.24384	3.7
71.00888	1.6
71.01250	23.2
72.73447	0.8
72.99158	2.0
73.02803	1.9
75.00718	0.8
83.01244	1.8
85.02823	5.6
87.00712	1.0
89.02306	15.5
90.27115	0.9
95.01257	2.0
97.02818	1.4
99.00753	2.0
101.02318	13.6
113.02346	8.1
114.62199	0.9
119.03375	4.6
123.04432	1.2
123.08041	1.1
161.04425	1.0
163.11211	5.5
170.33588	0.8
185.00935	1.1
207.10182	11.4
260.02960	1.0
269.07913	1.3
335.46097	0.9
340.35663	0.9
387.16583	100.0
388.16971	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22235	0.5
57.33455	0.5
58.00449	1.1
59.01250	63.4
60.01573	0.9
69.03322	1.4
69.83351	1.1
69.83759	2.0
71.01250	15.2
72.99176	1.8
73.02798	0.8
75.00763	0.5
81.03364	0.5
83.01236	0.7
85.02814	3.5
87.00764	1.1
89.02312	13.1
93.03358	0.9
95.01284	0.8
95.04924	0.7
96.08810	0.6
96.95906	2.3
97.02839	1.9
99.00768	0.9
101.02312	9.6
104.73872	0.5
109.06452	0.6
113.02313	4.9
119.03391	5.5
123.04408	0.6
125.02359	0.9
131.03442	0.5
135.04393	1.5
137.02345	0.6
147.02884	0.9
147.08044	0.6
163.03891	2.4
163.11191	36.1
164.11525	2.1
179.05457	0.6
181.04984	0.8
191.05550	1.2
207.03014	0.8
207.10193	1.4
225.07635	0.8
387.16608	100.0
388.16992	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	387.166
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03320	0.5
58.00454	1.0
59.01246	10.3
61.96495	0.5
63.40747	0.5
68.99695	0.8
69.03316	0.8
70.16791	2.3
71.01250	6.2
72.99162	0.6
73.02811	0.9
78.29077	0.4
83.01242	0.7
83.40745	0.4
85.02826	2.3
87.00770	0.6
89.02309	5.0
95.01255	1.2
95.04913	0.9
97.02763	0.4
98.20518	0.6
101.02312	4.5
109.06422	0.4
113.02326	4.1
119.03369	2.0
119.04868	0.5
121.06453	0.6
125.05911	0.5
143.03384	0.5
149.83629	0.5
151.03889	0.5
161.04494	0.7
163.11201	8.2
165.12793	0.8
166.85519	0.4
179.05420	0.6
179.10678	0.5
181.12251	45.3
182.12541	2.3
191.05573	2.2
195.13843	1.1
205.12315	1.2
225.11270	100.0
226.11591	6.4
249.11362	2.4
267.12183	0.9
387.15253	1.1
387.20273	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	387.2025
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01755	0.7
57.03310	0.8
57.09623	0.2
58.00464	1.3
59.01248	100.0
60.01585	0.6
68.99682	0.5
69.03316	0.3
69.45841	0.6
69.46256	1.3
71.01251	20.7
72.99181	1.2
73.02818	10.0
73.03236	0.5
77.36604	0.2
83.01243	3.5
85.02815	5.6
87.00751	1.3
87.04397	0.7
89.02312	15.5
89.81808	0.2
95.01263	1.9
97.02836	0.5
99.00771	1.2
101.02316	19.0
101.05968	0.8
102.02685	0.4
108.50053	0.2
113.02328	8.7
114.02624	0.2
119.03385	6.8
122.88116	0.2
125.02335	0.7
131.03375	1.2
143.03371	1.7
148.78458	0.3
149.04437	0.7
155.03413	0.3
159.02931	0.5
161.04460	4.6
161.05786	0.3
175.94112	0.2
177.82202	0.2
179.05524	3.8
179.06969	0.3
189.34578	0.3
191.05536	0.5
225.15050	0.3
227.07333	0.3
253.78777	0.3
270.83328	0.3
327.18079	0.9
345.19168	5.9
346.19757	0.7
369.48288	0.3
387.20258	1.1
408.70166	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	387.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94777	11.2
59.01247	88.5
62.99820	11.1
68.99673	41.2
71.01237	40.0
71.59108	17.0
72.57686	10.8
84.57446	9.7
88.20444	11.7
89.02306	29.4
93.82738	11.5
101.02325	100.0
113.02280	14.1
119.03402	12.5
120.08029	11.0
123.04368	39.7
141.01508	11.3
155.03383	15.4
173.38048	10.4
220.71866	13.1
225.07669	19.1
321.02505	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	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	67.7
61.63102	9.4
67.90903	10.7
68.99674	48.6
69.03306	13.4
69.29841	95.3
69.30256	17.8
71.01257	48.1
85.02817	11.1
89.02328	25.5
94.69572	10.1
95.01286	12.1
101.02316	100.0
110.45511	12.6
113.02308	12.7
123.04409	35.4
141.01608	15.0
155.03409	16.1
181.05009	17.5
193.05005	12.9
212.01135	11.9
217.60712	10.5
225.07672	11.5
313.05835	11.1
403.86008	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	387.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
71.58945	6.4
89.02340	6.7
101.02294	18.7
148.42358	5.9
287.97519	4.8
345.75613	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	388.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56543	2.1
55.86563	2.0
58.46911	2.3
59.01234	4.7
59.13892	1.9
60.03093	2.1
61.98701	100.0
65.99754	2.3
71.01257	3.2
71.06802	2.8
71.07125	2.8
72.99164	3.6
79.95601	6.1
81.73676	1.9
87.00713	2.4
88.12932	2.1
94.12959	1.9
96.95884	4.3
98.86755	2.1
101.02301	2.6
109.96276	2.2
151.79655	2.1
191.05591	2.3
315.80807	2.1
389.16351	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	388.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35467	2.0
51.76222	2.4
58.55663	2.0
59.01237	7.0
61.98699	100.0
71.35815	3.3
71.36156	3.7
86.39391	2.2
103.50760	2.3
109.64152	2.2
149.07172	2.1
153.52086	2.2
157.24809	2.6
158.17709	2.1
325.82892	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	389.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57718	1.6
59.00944	3.1
59.01247	65.0
69.03322	72.2
71.01246	30.5
71.09969	1.6
72.99191	4.7
73.02804	2.4
83.01190	2.4
85.02799	5.5
87.00724	4.6
89.02319	29.1
93.19099	2.1
95.01260	2.7
95.04896	16.1
98.20589	3.2
101.02310	14.4
113.02318	11.5
119.03379	11.3
121.02815	5.6
121.06476	30.2
121.95753	1.8
123.04377	5.4
139.00314	5.2
139.07487	3.4
147.04468	2.2
149.04417	1.8
165.05449	14.9
173.01772	3.1
176.01053	53.2
179.05437	2.0
183.06525	7.8
191.03415	100.0
192.03816	5.0
200.66862	2.0
209.04466	9.4
276.09802	2.2
296.93356	1.9
345.11807	13.0
385.60883	1.9
389.10754	35.2
389.18237	5.2
389.93076	2.1
409.51617	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	2.4
58.00454	2.7
59.01249	68.4
65.60506	2.3
67.01740	3.4
68.99686	4.2
69.03325	36.2
69.47359	15.1
71.00890	3.0
71.01254	50.2
72.99181	10.5
73.02821	4.5
75.00741	6.6
81.03303	2.2
83.01272	3.3
83.04881	1.9
85.02826	16.8
87.00748	16.8
89.02317	46.4
93.03345	10.8
95.01263	39.5
95.04885	13.6
97.02824	19.1
99.00740	8.7
101.02311	32.4
107.04905	8.6
108.02058	3.8
109.02841	8.3
109.06461	3.0
110.47791	2.0
111.00753	8.3
111.04407	2.5
113.02328	24.2
119.03399	22.6
119.04897	11.7
121.01964	2.7
121.02841	50.7
121.06494	14.3
123.04402	19.2
125.02282	2.7
127.00266	6.9
129.01804	4.8
131.03499	3.1
132.96036	2.3
135.04428	16.6
137.02368	5.9
137.05978	40.0
139.00287	13.9
139.03902	5.0
140.00995	2.7
141.01788	5.5
143.03384	4.7
147.04425	22.5
149.02354	3.6
149.05992	2.6
151.03873	3.9
153.05482	3.4
163.03889	5.0
164.11581	1.9
165.01814	3.5
165.04102	4.2
165.05484	85.6
166.05763	3.3
173.04619	2.5
179.03287	2.9
179.05571	4.4
181.04953	5.1
183.06532	4.5
191.03421	16.7
191.05292	4.0
206.87698	2.2
207.06660	2.2
209.04550	16.9
211.06024	3.4
225.07628	2.6
226.08595	2.9
227.05481	2.2
233.27995	1.9
267.70059	2.6
269.09122	2.4
301.05432	4.3
302.06433	5.0
345.11713	2.9
371.10052	3.3
389.10828	100.0
389.18301	9.8
389.58411	2.2
390.11206	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	389.1087
Annotation	Epikingisidic acid
Peak:m/z	Relative Intensity
54.85414	1.7
55.75460	2.0
58.89432	1.8
59.01250	95.6
67.26665	2.1
69.03326	100.0
69.83984	12.2
71.01244	29.4
72.99165	2.9
73.02816	2.3
77.19959	1.9
83.01231	1.8
85.02837	5.7
89.02318	37.4
95.01295	3.1
95.04903	24.3
95.57481	1.7
98.20524	2.2
99.10438	1.9
101.02323	18.9
106.04144	4.4
113.02321	14.3
119.03370	20.6
121.02847	10.4
121.06480	45.6
122.06807	2.2
123.04378	4.7
139.00259	6.4
139.03918	2.6
139.07553	7.2
149.04443	2.4
161.04582	2.8
165.05484	21.2
179.05551	3.5
183.06572	11.8
191.03429	4.6
209.04483	13.2
209.08008	2.0
239.10461	2.1
248.47205	1.7
331.92368	2.0
345.11816	19.7
389.10837	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	389.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46752	0.5
57.03316	0.9
58.00448	1.6
59.01249	44.2
60.01577	0.8
61.56738	0.5
67.01756	2.6
68.99683	31.7
69.03324	33.1
70.00030	0.9
70.03674	0.7
71.01252	30.1
71.04874	0.6
71.56353	0.5
72.01556	0.6
72.99176	3.7
73.02825	1.7
74.98971	0.7
75.00742	1.7
78.64089	0.6
81.03320	7.6
83.01253	1.3
83.04900	1.8
84.89346	0.6
85.02813	6.5
87.00751	6.2
89.02312	30.7
93.03339	1.5
95.01270	2.3
95.04910	4.6
97.02801	1.7
98.20556	1.4
99.00734	0.9
99.19227	0.6
101.02317	100.0
102.02668	2.2
103.00105	0.6
107.04921	2.3
107.08606	0.6
109.02821	1.8
109.06463	1.2
111.00756	2.1
111.04387	1.8
113.02322	11.0
115.29298	0.6
119.03382	11.9
121.02860	2.2
121.06454	1.5
121.98453	0.6
123.04422	5.5
123.08065	1.0
124.01521	0.9
125.02332	14.6
127.03912	4.9
131.03419	1.3
133.02846	1.2
134.03589	0.9
135.04401	3.0
136.01511	1.2
137.05949	2.2
139.03886	3.0
143.03372	2.3
147.04448	1.1
149.02348	2.6
149.04446	1.0
149.05975	1.3
150.03102	1.1
151.03918	5.9
151.07533	1.3
153.05496	1.4
157.04967	31.6
158.05354	0.8
161.04451	3.6
163.07550	0.9
165.00977	3.4
165.05447	4.4
165.09175	0.9
166.70966	0.6
167.03391	0.7
167.07037	1.8
173.04564	0.6
175.07668	0.6
177.01828	1.7
177.05496	1.4
179.03423	2.3
179.05446	2.0
179.06929	1.1
181.04994	0.8
183.06551	1.6
191.05508	2.3
191.07060	0.8
193.05009	2.7
193.08614	0.7
195.06526	2.8
197.08104	4.2
199.09752	0.9
207.06528	0.9
209.00063	1.3
209.04430	1.1
209.08096	3.9
209.11781	2.5
221.08138	0.6
223.09665	0.7
225.83672	0.6
227.03809	0.6
227.09210	14.8
227.12666	1.1
228.09512	1.0
237.07532	1.2
239.09264	1.4
264.99811	0.5
269.10037	1.8
357.11874	1.9
389.14221	6.2
389.18192	9.1
390.18842	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	389.1452
Annotation	Ajugoside
Peak:m/z	Relative Intensity
50.38012	0.4
59.01247	3.7
67.01760	15.9
68.99686	33.9
69.03333	2.0
69.59879	1.6
69.60304	1.5
70.00021	0.5
70.34254	0.5
71.01242	1.8
72.97423	0.4
72.99162	0.4
73.02815	0.5
85.02840	0.7
87.00776	0.7
89.02304	1.6
99.00753	0.6
101.02318	100.0
102.02634	1.6
107.04900	1.1
111.00745	1.0
112.01571	0.5
113.02322	0.9
119.03360	0.9
121.06440	0.7
127.03898	37.1
128.04236	1.1
133.06479	0.5
134.03665	0.4
149.06039	0.5
176.01054	1.1
177.05525	0.5
191.03423	0.8
191.07175	0.4
209.08163	1.6
219.06618	0.7
227.09193	56.0
228.09564	2.6
314.29184	0.5
352.70996	0.4
357.12296	0.5
386.88419	0.5
389.10486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
52.70874	0.3
55.01744	0.7
57.03310	1.0
58.00467	0.7
59.01249	18.8
69.03291	0.5
70.12018	0.5
71.01247	11.5
71.04890	0.5
71.08720	0.9
72.99176	1.1
73.02811	2.5
73.98180	0.5
74.98953	0.8
75.00755	0.6
78.77103	0.4
80.02533	1.3
81.03324	1.8
83.01266	1.4
83.04893	6.6
84.02033	1.3
85.02817	4.5
87.00738	2.0
87.04376	0.7
89.02316	6.2
93.03326	1.6
95.01248	0.7
95.04884	1.2
96.95878	0.5
97.06438	0.7
99.00763	1.2
101.02321	6.4
104.98075	0.5
107.04941	0.6
109.02857	0.4
109.06480	0.7
111.00748	0.6
111.04440	0.4
111.08012	0.5
113.02331	3.8
118.98013	0.6
119.03405	2.3
120.99494	1.7
121.02814	0.8
122.03641	1.7
123.04411	0.9
124.01426	0.4
125.05977	0.8
125.09596	0.7
126.01456	0.4
133.01311	0.7
133.02855	0.7
134.03619	12.1
135.04381	1.2
135.08044	1.0
136.01497	0.5
137.02327	1.5
137.09711	0.4
139.03851	0.5
147.11682	0.5
149.02336	3.0
149.04657	0.4
149.05989	2.6
150.03133	10.0
151.03889	3.4
152.08350	0.4
152.30092	0.3
156.51613	0.4
161.04445	3.3
163.11194	4.6
164.27486	0.4
165.05470	8.1
165.12758	4.3
167.10626	0.6
178.02634	4.2
178.57513	0.4
179.03432	0.4
179.05527	0.8
180.04131	1.0
181.05029	1.8
181.12308	0.7
191.05531	1.4
191.10675	1.5
193.04990	12.9
194.05392	0.7
195.06595	3.9
201.11255	1.2
209.11769	100.0
210.12094	5.0
227.12836	31.5
228.13185	1.5
229.08708	0.5
267.06573	0.5
282.08966	0.6
282.59805	0.4
329.16284	1.0
341.10245	3.7
389.12482	1.6
389.18088	22.0
389.25479	4.8
390.18451	2.4
390.25818	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	389.1814
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
54.61368	0.6
55.01749	0.9
57.03326	7.8
58.00467	3.3
59.01248	94.1
60.01582	1.4
68.99693	3.4
69.03327	1.2
70.44942	2.7
71.01252	52.7
71.04871	0.8
72.01582	1.5
72.99169	4.8
73.02813	3.3
75.00735	0.8
83.01258	1.8
85.02815	11.1
87.00755	3.3
87.99014	0.7
89.02315	55.0
90.02648	1.5
93.03318	1.2
95.01267	4.4
95.04899	1.7
99.00752	1.0
101.02318	29.2
102.02656	1.2
109.06470	55.6
110.06834	1.2
113.02325	18.8
113.03555	1.0
119.02563	1.6
119.03386	23.1
120.03743	0.9
123.04410	1.5
130.08609	3.1
131.03413	1.9
132.04469	1.2
143.03386	4.5
143.11826	2.0
144.04361	1.1
147.11699	1.1
149.04459	2.4
149.09596	3.9
155.03352	1.3
161.04486	3.1
165.12735	4.9
179.05533	8.7
191.05566	4.1
191.10661	5.5
209.11760	100.0
210.12076	6.1
220.13455	0.7
260.46939	0.7
323.61343	0.7
381.35220	0.8
389.18127	63.1
390.18567	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	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.4
57.03323	0.9
58.00478	0.8
59.01251	67.9
69.34058	4.8
69.34471	2.0
71.01249	14.3
72.33226	0.7
72.99173	1.9
73.02814	3.7
81.03313	1.0
83.01257	1.6
84.16451	0.7
85.02825	6.0
87.00759	1.3
89.02322	7.4
93.03339	1.2
95.01277	1.1
101.02322	12.2
113.02361	4.3
119.03384	2.7
123.04382	0.8
130.32933	0.8
135.04414	2.4
135.98026	0.7
147.04404	2.0
150.03047	1.0
150.99486	1.8
151.03906	6.4
153.01865	1.2
159.41386	0.7
161.04433	1.6
165.01030	24.7
165.05530	0.8
166.01349	1.5
167.03394	2.1
168.04201	2.4
173.04524	1.3
178.98982	3.0
191.05586	4.2
208.98424	0.8
209.00043	4.9
212.03250	1.1
226.04474	0.8
227.05544	5.5
274.94836	0.8
293.67188	0.9
295.10880	1.2
313.11832	1.2
329.15936	0.8
369.95740	0.9
371.16907	1.0
389.06772	12.5
389.18155	100.0
390.06659	1.1
390.18448	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	389.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03317	8.8
58.00460	3.6
59.01249	90.9
61.01667	1.3
68.99668	5.2
69.03304	2.4
71.01253	55.5
71.08022	2.0
71.08354	1.5
72.01608	1.6
72.99159	3.9
73.02802	3.0
83.01232	2.9
85.02824	10.0
87.00747	4.4
89.02314	59.4
93.03324	13.1
94.03652	2.2
95.01257	4.3
95.04903	2.0
99.04348	1.5
101.02321	34.9
101.02991	1.7
102.02637	2.8
103.02752	1.1
107.04864	1.1
109.06467	50.5
110.06766	1.6
113.02328	23.2
114.02687	1.6
117.72739	1.1
119.02562	1.8
119.03390	26.2
120.03700	1.2
120.99550	1.8
121.02874	1.4
123.04408	2.3
127.03841	1.2
131.03410	2.7
134.03676	1.6
135.04398	5.4
135.98216	1.4
137.02342	20.3
138.02660	6.9
139.02783	6.2
143.03412	5.0
143.88826	1.0
147.11697	6.7
149.02324	1.7
149.04459	1.4
149.09602	4.3
150.03104	2.6
151.03871	3.4
152.04199	1.1
152.14424	1.1
155.03387	1.9
161.02309	2.2
161.04504	5.6
165.05478	3.9
165.12747	5.6
166.06313	1.5
167.10675	1.1
168.03688	1.1
173.04414	2.2
177.87199	1.1
179.03412	3.9
179.05510	11.6
190.45139	1.0
191.05516	3.9
191.07114	1.1
191.10663	4.8
193.04919	2.4
207.96973	0.9
209.11765	100.0
210.12096	4.4
225.07664	1.7
226.08005	1.8
227.03671	2.1
227.08046	2.1
227.12990	1.2
240.79395	1.0
249.06235	1.7
250.06474	2.0
251.06552	3.7
267.06879	1.1
389.09460	3.1
389.18152	22.4
390.18341	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	389.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27135	1.4
57.03310	2.1
59.01251	25.6
62.54687	1.7
66.74049	1.5
69.03323	2.5
70.61174	3.8
71.01257	6.5
83.04865	1.9
87.94537	1.6
89.02364	1.7
93.03351	3.8
95.04862	2.3
97.06490	3.0
101.02317	2.7
107.08522	8.6
109.02787	2.4
113.05964	2.6
116.30002	1.5
119.08518	2.5
121.02816	2.3
121.06424	2.4
121.10097	3.5
123.08044	4.3
125.09584	8.5
135.08049	6.5
137.09589	9.2
141.09077	4.6
153.09090	1.7
167.72888	1.6
171.10217	5.4
199.09694	13.3
207.09938	15.4
209.07858	28.4
213.11195	1.7
217.00232	3.2
221.07880	2.2
222.08679	43.3
223.09128	3.0
243.17485	2.5
245.19087	11.0
254.07787	5.2
261.18542	4.8
263.20255	2.0
282.09451	8.1
283.16681	3.8
283.64899	1.7
289.18039	15.1
301.17731	7.3
307.19131	87.4
308.19482	7.0
311.16339	10.9
329.17310	100.0
330.17426	6.7
389.18326	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	389.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.2
59.01249	13.3
69.37701	9.9
71.01243	2.8
71.04875	6.8
74.14110	1.0
77.24390	1.0
80.02555	1.4
81.03305	2.3
83.04897	2.7
88.60624	1.0
89.02940	1.2
93.03329	4.8
93.52381	1.0
95.01248	1.5
95.04870	2.6
96.95868	1.3
98.03617	1.1
98.20500	1.8
99.92479	2.4
106.04089	1.6
109.02815	1.2
109.06466	11.8
111.04387	13.7
121.06483	3.3
123.04374	1.3
123.08079	2.1
127.07563	2.9
134.97838	1.0
135.08070	1.6
137.06004	1.4
137.09627	1.7
145.06450	3.4
149.05984	9.4
149.09587	1.6
151.11096	1.3
159.08081	1.1
167.10715	2.5
173.05977	1.2
179.10681	1.7
187.07556	2.6
189.12862	1.3
191.05530	2.2
195.13794	4.5
197.72516	1.0
201.05518	2.1
203.06978	2.5
205.08725	1.5
215.06984	1.2
217.12007	2.5
217.15729	1.2
229.08673	1.1
230.09238	1.5
231.10246	1.7
233.08119	1.1
235.13263	2.3
243.17406	2.1
245.19014	4.2
247.09538	5.8
249.10973	3.8
249.14865	1.1
257.11438	7.3
258.11926	1.3
261.18634	1.4
271.16956	1.8
275.15143	1.2
279.12103	2.5
287.16458	1.4
289.18066	100.0
290.18494	9.7
292.75064	1.1
300.13385	1.8
301.16599	1.6
307.19128	10.3
308.19434	2.2
311.16431	5.9
329.17151	67.6
330.17487	7.1
360.43695	1.1
373.80130	1.0
389.15872	1.1
389.26993	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	389.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97086	2.0
57.03324	5.9
59.01247	53.9
68.41666	1.8
69.03334	2.1
69.48244	1.7
70.23789	4.5
70.24190	3.1
71.01253	6.6
72.99184	1.8
80.02541	5.4
83.04887	4.2
91.05414	3.1
95.04895	7.1
96.95902	2.9
97.06467	6.6
101.02321	2.7
109.02849	5.4
111.08037	5.8
123.04430	10.9
125.09615	3.7
126.99783	1.6
135.08093	3.5
137.09659	2.3
147.11754	2.2
149.09596	7.0
151.11191	14.9
153.12717	3.4
155.10626	3.1
163.11174	8.7
165.09070	2.4
165.12729	11.6
167.10696	4.9
179.10675	8.5
181.12268	29.2
187.87593	2.0
191.10712	9.7
191.14224	2.9
201.08832	2.7
203.10559	3.3
207.09927	3.4
208.75186	1.9
209.11707	56.8
210.12189	2.3
211.13365	3.3
215.17935	2.9
217.08379	32.1
223.09450	3.2
231.10011	16.6
233.11534	100.0
234.11861	3.2
235.09503	2.9
245.19057	10.2
249.11015	6.2
253.10567	12.4
255.87231	1.8
259.13092	3.2
260.10117	4.1
263.12656	4.5
263.20169	6.0
264.09717	8.7
265.10455	5.2
267.12103	4.8
283.16782	8.9
285.18420	13.9
289.18018	11.7
299.16296	3.8
307.19183	16.1
315.15634	4.5
317.17331	32.5
318.17554	3.2
329.17340	33.9
330.17404	2.4
332.95404	1.9
345.17114	2.0
350.04642	2.4
352.07697	2.1
389.19263	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	389.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.8
57.88893	1.0
59.01245	15.7
69.03296	1.4
71.01237	3.0
71.38216	2.3
72.99181	1.9
80.02480	1.2
81.03329	1.1
83.01247	6.6
83.04879	1.4
87.00739	1.6
93.03321	1.3
95.04889	4.4
96.95884	2.4
97.02843	5.3
97.06467	1.9
98.57047	1.0
99.92447	1.5
108.02044	2.9
109.02821	2.6
109.06440	1.3
121.06452	2.8
123.04407	11.7
123.08045	2.8
136.05104	1.2
137.09535	1.0
139.11142	1.8
149.09576	2.1
151.07594	1.4
151.11188	3.4
152.08369	1.3
153.09117	1.4
159.08105	2.3
161.09544	1.2
163.11130	2.0
165.12740	1.7
174.03122	1.3
175.03926	1.8
175.07593	1.6
177.01505	1.3
177.12695	1.5
179.52686	1.1
182.88373	1.0
187.07561	2.2
191.05492	1.3
191.14267	4.1
199.13353	1.9
201.05525	1.6
203.06934	3.1
203.14328	1.5
205.03487	1.5
205.08455	3.4
209.11768	3.3
217.15955	1.5
229.08801	1.9
230.09322	1.2
231.09995	5.0
238.12160	1.3
245.19061	20.5
246.19316	1.3
247.09714	2.4
248.10374	1.2
259.09341	1.5
260.10248	100.0
261.10733	6.6
267.83853	1.1
289.18082	58.7
290.18295	4.1
307.19162	8.5
308.19373	1.0
311.16211	1.7
320.11075	12.6
321.11044	1.1
329.17276	38.9
330.17142	3.5
345.20554	3.1
389.19327	3.3
389.27176	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	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80697	1.2
57.02127	1.2
57.03314	5.5
59.01248	51.8
69.03332	3.5
69.79445	2.6
69.79852	5.2
80.02548	4.8
81.03331	6.2
83.01257	10.9
83.04926	3.5
93.03361	2.3
95.04896	4.4
97.02847	5.7
97.06467	9.0
109.02811	1.7
109.06474	3.3
111.08051	2.1
119.08572	1.4
121.02818	2.2
121.06503	1.8
121.68848	1.2
123.04409	11.4
123.08032	3.3
125.05967	2.2
125.09602	16.1
135.08041	4.4
137.05984	2.3
137.09598	11.1
141.12759	3.2
149.05977	2.9
149.09537	1.7
161.09639	1.5
162.10385	2.4
163.07500	1.4
163.11189	18.4
165.09071	1.6
165.12787	4.2
167.10661	2.3
171.10196	1.4
175.07336	3.8
177.12740	1.9
179.10643	1.5
181.12268	3.8
185.11760	14.6
191.10695	4.6
191.14357	17.3
207.10097	11.2
209.11748	80.3
210.12129	4.3
217.15967	2.1
219.06383	2.5
225.11240	7.7
226.12006	1.7
227.18050	1.9
229.15840	1.3
231.09966	58.4
232.10258	2.3
233.11580	3.2
239.14587	1.1
243.17392	1.5
245.19052	37.9
246.19289	2.8
247.09242	1.2
249.11043	2.1
263.20139	3.3
271.16992	3.1
279.19678	1.4
285.18466	2.6
289.18088	100.0
290.18475	7.5
291.12143	3.9
291.19620	4.2
294.90985	1.5
307.19119	58.9
308.19528	4.4
311.16333	1.4
317.17484	7.0
329.17383	18.4
389.19351	12.9
390.19385	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	11.4
59.01249	57.7
62.45375	1.9
69.03325	2.2
71.01252	10.2
71.02820	5.1
81.03345	2.0
83.04904	6.7
85.48168	2.1
93.03325	2.4
95.04906	2.8
97.06454	20.5
109.06449	3.7
111.08040	6.5
123.04323	3.0
125.09636	4.7
136.87413	2.2
149.09596	4.0
150.85974	2.6
151.11211	16.5
153.12743	4.0
155.10678	6.4
163.11232	5.0
165.12737	25.1
171.10037	2.9
176.19424	2.1
179.10686	10.4
181.12271	28.8
182.12671	3.2
185.11661	2.7
186.56226	2.1
191.10696	15.8
191.14314	4.9
193.08321	2.6
207.10010	6.1
209.11766	100.0
210.12129	5.4
211.13240	4.4
217.00227	2.4
217.08472	6.4
227.12648	3.6
231.10101	2.5
233.11465	11.4
239.09288	3.4
245.19070	20.1
249.11148	2.9
263.20129	6.5
264.09750	2.6
279.19687	2.8
285.18335	2.3
289.18109	23.3
307.19177	40.0
308.19293	2.5
317.17471	5.5
329.17282	17.4
340.24704	2.5
389.19406	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	389.2179
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
55.01752	1.4
57.03302	0.9
57.08169	0.4
58.00457	1.0
59.01248	16.5
61.61415	0.5
63.26829	0.4
66.87115	0.4
69.03303	0.5
69.06469	0.4
71.01250	16.0
71.04860	0.4
72.99184	4.1
73.02805	3.4
75.00742	0.8
83.01265	2.7
85.02823	5.6
85.06443	0.8
85.99940	0.6
86.72128	0.5
87.00748	2.4
89.02316	5.0
93.03300	0.7
95.01251	0.8
99.00764	0.7
101.02316	7.7
111.00767	0.7
113.02313	2.8
119.03378	1.3
125.09519	0.5
135.04398	0.5
155.10829	0.5
173.05966	0.8
174.06841	0.4
175.03828	0.6
181.15915	0.7
187.07506	0.8
191.05569	0.8
201.05510	0.7
201.09003	0.5
203.07233	1.1
204.06715	0.5
209.15401	2.5
211.07437	0.5
218.09340	0.7
227.16463	23.0
228.16769	2.3
230.19550	0.4
233.08017	0.5
247.09628	1.1
266.86508	0.4
334.09793	0.5
371.20889	2.7
386.41382	0.5
389.21771	100.0
390.22073	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	389.2179
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
55.01747	1.4
57.03315	1.6
58.00460	0.4
59.01249	11.1
60.01589	0.4
60.82603	0.4
69.03297	0.5
71.01251	13.3
72.99165	1.8
73.02816	2.5
83.01240	2.3
85.02820	5.4
85.99922	0.7
87.00738	1.4
89.02323	2.0
92.31687	0.4
95.01276	1.0
97.33396	0.4
99.00720	0.8
101.02318	5.4
104.33860	0.4
110.01682	0.4
111.00782	0.6
112.01543	0.4
113.02335	2.6
119.03382	0.8
122.84364	0.4
124.01513	0.8
125.02336	0.4
128.46248	0.4
162.17366	0.4
170.83664	0.4
181.15913	0.5
205.31116	0.4
209.15407	1.2
214.45799	0.4
227.16469	18.7
228.16785	1.2
229.38841	0.7
247.09737	0.5
345.17148	0.4
358.22198	0.5
371.20715	2.8
389.21774	100.0
390.22104	9.7
406.82452	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	389.2182
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01768	1.1
57.03321	2.8
58.00475	3.7
59.01248	100.0
69.03326	1.5
71.01251	62.5
71.59042	0.9
72.01581	1.5
72.99171	5.1
73.02826	3.7
74.98992	0.9
79.88059	0.6
80.58421	0.6
81.03346	0.8
83.01275	2.2
83.04893	0.8
85.02824	12.8
87.00732	5.3
87.04413	0.7
88.53509	0.7
89.02314	77.1
90.02642	1.2
92.44395	0.6
93.03361	1.0
93.41322	0.6
95.01254	3.8
95.04895	0.8
96.95913	1.0
97.02808	1.0
97.06512	1.1
99.00783	1.3
101.02319	31.8
109.02852	0.7
111.08076	1.9
113.02330	23.6
113.89826	0.6
114.02653	0.6
119.03376	28.9
120.99556	0.9
121.06491	1.6
131.02553	0.7
131.03351	3.2
135.04414	0.7
143.03407	4.9
149.04497	2.4
153.09105	12.9
153.10248	1.0
155.10713	0.7
161.04449	7.1
173.04457	0.8
175.03955	1.0
179.05550	9.5
181.12276	1.4
182.12631	0.8
190.06314	0.7
191.05548	2.0
191.14461	0.7
204.06554	1.1
209.15425	9.0
225.11354	1.6
227.11993	1.0
227.16483	3.8
295.11005	1.7
329.23410	1.6
347.24329	5.0
389.16641	2.5
389.21860	18.4
389.25778	11.4
390.11945	1.8
390.22104	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	389.2178
Annotation	Sedumoside C
Peak:m/z	Relative Intensity
55.01746	1.4
57.03320	1.8
58.00457	0.8
59.01250	14.3
69.03325	0.8
70.55978	1.3
71.01256	15.2
71.04873	0.5
72.99174	1.6
73.02824	2.7
74.98965	0.4
80.57965	0.3
83.01255	3.0
85.02815	6.7
85.35128	0.3
85.99976	0.5
87.00758	2.4
88.23872	0.4
89.02312	3.2
93.03339	0.4
95.01249	1.1
99.00753	1.3
101.02317	6.9
105.03670	1.7
111.00758	1.2
112.01508	0.6
113.02312	3.7
119.03380	1.2
124.01523	0.6
125.02302	0.7
134.00450	0.4
134.57077	0.4
175.04045	0.4
181.15877	1.4
182.26868	0.4
191.05530	0.8
209.15413	1.7
227.16467	18.2
228.16823	1.3
243.27380	0.4
263.66946	0.4
269.17456	0.7
295.10907	0.6
327.15836	0.4
347.15454	0.5
359.14944	0.7
371.20749	3.6
372.21332	0.5
389.21774	100.0
390.11697	0.7
390.22110	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.83183	5.9
79.95637	7.1
81.06905	6.2
88.98788	6.2
98.20552	14.7
179.70253	6.1
234.13753	7.0
252.09491	5.6
322.34402	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
66.09424	3.7
70.82412	9.9
78.98422	3.6
79.95590	18.7
80.96400	29.5
82.49040	3.6
94.97966	6.3
111.69784	4.2
114.52686	4.3
127.76138	3.9
128.54019	3.9
169.12228	15.1
225.00648	10.6
255.23268	13.3
299.04321	9.2
375.19366	5.3
389.19009	20.9
389.69363	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38250	1.5
54.92070	1.7
57.03315	1.6
59.01247	12.0
61.06282	1.6
61.98699	100.0
67.40968	1.7
71.01244	2.9
78.32640	1.6
79.95586	2.9
80.96348	2.6
82.45192	1.5
86.59874	1.6
87.00742	8.3
89.37995	1.5
91.05384	1.5
96.95893	9.9
97.06458	2.6
98.20529	3.8
109.06464	9.1
125.09603	9.9
127.07539	2.8
127.45266	1.9
135.04376	2.2
137.09572	1.9
139.11160	6.4
165.77206	2.0
171.10132	9.4
183.10165	3.5
187.09630	7.0
201.11237	15.1
217.00256	2.7
229.24815	1.8
275.16449	5.4
277.39996	2.1
293.17593	20.7
311.18564	5.7
319.15466	4.2
337.16422	10.1
355.17761	10.9
391.17886	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53159	3.4
57.03321	5.8
59.01247	25.1
61.98698	47.5
65.03802	4.0
67.67435	3.7
69.03357	4.3
69.72472	23.2
80.02542	8.1
81.04438	4.8
82.03954	7.6
87.00736	45.8
96.95885	31.0
97.06453	8.3
99.92380	5.2
109.06479	52.9
111.08000	4.3
121.06491	11.1
123.08058	8.6
125.09605	63.1
127.07526	16.6
136.05174	9.1
139.07532	10.0
139.11160	34.9
141.09102	4.2
153.05466	7.8
155.10696	6.7
166.91013	4.2
171.06451	5.0
171.10153	53.9
183.10158	16.3
185.08032	3.6
187.09676	38.9
188.10005	4.3
199.09610	4.4
201.11227	74.4
202.11549	5.1
202.18527	4.3
238.78790	3.8
240.48668	3.6
267.16028	8.3
275.16476	23.5
277.14548	6.2
293.17569	100.0
294.17847	8.0
295.15408	7.1
311.18683	29.0
319.12238	3.6
319.15433	23.5
337.16534	41.6
338.16913	5.7
355.17557	52.1
356.17770	7.9
391.14642	9.3
391.18048	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	391.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03125	2.0
53.27366	1.8
53.72773	2.1
55.01765	2.3
57.03290	2.3
58.00451	4.3
59.01247	100.0
67.01768	2.9
68.99683	3.9
69.03322	4.9
71.01250	56.6
71.58472	2.8
72.99178	6.7
73.02811	4.7
75.00742	2.6
79.05383	4.0
83.01244	4.4
83.04858	2.4
83.18922	2.1
84.92720	1.9
85.02817	11.5
87.00753	5.3
89.02318	42.9
91.70474	1.9
93.03326	1.9
95.01295	4.5
101.02320	32.8
113.02307	15.1
113.58913	2.3
117.07017	2.4
119.03402	15.4
120.05694	8.4
121.06503	4.9
123.04356	2.6
130.70772	2.1
131.03389	2.4
133.06516	3.1
135.08035	5.7
139.03902	2.2
149.05963	2.8
156.16675	2.1
161.04517	2.1
163.50484	2.5
167.03391	3.4
179.05519	4.1
179.07048	48.6
191.05472	2.9
211.06255	2.2
211.09692	53.3
212.09975	3.7
331.13892	5.0
350.11066	2.5
359.13364	10.8
391.12076	6.0
391.16345	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	391.1974
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
53.38502	0.6
55.01744	1.4
56.15702	0.6
57.03328	2.2
58.00468	1.2
59.01250	49.4
64.56581	0.7
69.03332	0.8
71.01254	18.9
71.58755	0.9
72.40561	0.6
72.99187	2.3
73.02817	5.1
74.98972	2.4
79.13537	0.6
81.33323	0.6
83.01276	3.0
85.02822	10.8
87.00757	4.2
87.04364	3.8
89.02311	6.9
93.03339	1.4
95.01278	1.8
97.02862	0.6
99.00785	1.0
101.00562	2.0
101.02319	15.1
113.02335	8.0
115.00271	2.5
119.01602	7.4
119.03389	2.7
121.02845	1.0
125.09681	0.6
127.07570	0.7
133.01328	3.1
135.08089	0.6
135.98206	0.6
141.60306	0.6
150.03113	3.7
151.03954	1.2
159.29153	0.7
161.04453	3.2
165.05440	3.3
173.04514	0.8
187.07558	1.2
191.05591	2.0
195.06583	3.7
202.06377	0.6
211.13330	2.9
229.14406	10.8
229.37665	0.6
230.14714	0.7
231.10292	1.0
231.74348	0.6
235.05870	0.7
271.10858	1.1
275.09213	5.2
303.16333	7.3
303.19138	0.7
307.12927	0.6
331.17731	1.6
347.20752	0.8
357.14658	0.8
373.18942	1.5
378.73621	0.7
391.19736	100.0
392.20126	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	391.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55435	0.6
55.01755	3.2
57.03318	4.2
58.00454	1.7
58.02837	1.6
59.01247	46.7
59.60653	0.5
60.01572	0.7
60.69034	0.6
69.03345	0.9
70.92846	1.1
71.01248	43.4
71.04868	1.0
72.00777	0.6
72.01586	0.7
72.99178	3.4
73.02428	1.1
73.02816	12.0
73.03941	1.2
75.00733	1.6
83.01248	7.0
83.04865	0.6
84.04431	0.7
85.02820	19.4
85.99978	0.6
87.00730	4.2
87.04385	0.7
89.02312	12.3
89.02826	1.0
93.03328	2.0
95.01250	3.4
96.30234	0.7
97.06451	0.8
99.00742	4.4
100.03915	1.0
101.02318	35.1
102.05481	10.0
109.02823	0.6
110.05977	0.6
111.00781	1.2
113.02325	14.7
115.00228	2.7
115.07511	2.0
119.03395	4.8
121.02829	1.3
123.04372	1.0
125.02329	1.0
125.05990	1.1
127.07561	1.8
128.03430	3.5
129.09096	2.5
133.01317	6.0
133.02808	0.6
135.02841	1.5
135.04445	1.9
139.07576	0.6
143.03366	1.4
143.04448	0.5
146.04506	1.1
147.04436	1.5
149.29950	0.7
151.07545	1.0
153.09074	0.6
159.02881	1.7
161.02362	1.1
161.04478	7.5
163.07587	0.6
164.07072	3.9
165.01854	0.6
172.10838	10.7
173.04483	1.7
175.83086	0.6
177.10287	1.2
179.05661	0.6
187.07588	2.1
189.74448	0.6
191.05540	2.8
197.09200	0.8
201.12802	1.3
202.06274	0.8
203.10689	0.8
204.11415	0.8
211.13239	1.0
214.11935	1.9
219.13811	1.9
229.08754	0.8
229.14424	3.0
231.10263	1.4
263.12842	0.9
275.09161	3.9
276.17148	1.4
296.90747	0.6
303.16342	0.7
318.18167	0.8
331.17731	1.3
331.24747	0.8
347.20654	2.3
362.17126	11.0
374.15894	1.1
391.19684	100.0
391.26929	6.4
392.17194	11.3
392.20401	4.8
406.28140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80001	0.6
53.78604	0.7
57.03325	2.7
58.00500	0.8
59.01247	100.0
60.01593	1.4
71.01247	12.2
71.58253	0.6
72.99188	1.9
73.02812	5.7
74.98972	1.1
75.00751	0.7
80.16842	0.7
83.01283	0.8
85.02824	4.2
87.00760	2.4
89.02309	12.9
93.03362	1.2
95.01261	1.2
99.04393	1.4
101.02308	7.3
111.00776	0.9
113.02354	5.6
115.00256	0.9
119.03382	4.7
120.99573	1.1
121.02874	1.9
125.02300	0.8
130.08676	2.0
135.02893	0.7
135.04419	0.7
136.99068	1.0
143.03452	1.1
154.06172	1.7
159.04433	1.0
161.04515	1.7
163.13132	0.7
170.15274	0.9
173.04497	1.0
173.05965	1.3
179.05563	2.3
183.10258	1.2
187.07657	1.4
191.05559	3.9
207.30374	0.7
211.13342	2.0
229.14365	8.5
231.10213	1.0
271.16754	1.9
275.09195	5.3
304.97577	0.9
331.17523	1.1
391.19711	32.0
392.19525	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	391.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46801	3.0
53.08923	2.6
59.01249	41.5
60.46430	2.9
61.98700	18.7
69.22153	2.7
71.01247	27.6
71.29663	6.0
75.91016	3.2
82.29668	2.4
93.03330	3.3
96.95908	3.8
99.92444	11.0
100.36243	2.8
107.08553	5.5
115.91949	5.3
123.56708	2.8
125.09603	4.8
125.99228	4.3
138.00471	2.8
139.11151	4.9
141.09026	3.9
147.62946	2.8
165.01547	6.6
193.04720	5.7
193.08391	8.4
217.00188	7.5
222.08687	56.3
223.09416	29.8
225.02530	3.6
236.10255	88.4
237.10626	5.9
245.19035	5.3
247.20676	4.2
254.07677	7.7
262.11804	16.5
282.09598	57.2
283.09930	6.5
291.19559	13.4
296.11139	16.5
301.85495	3.1
309.20688	79.3
310.21085	9.2
313.17828	48.7
314.18179	4.9
331.18872	100.0
332.19101	9.0
349.18723	11.2
374.11984	4.1
386.19754	3.2
391.19794	11.9
391.24631	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	391.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.8
57.32545	1.3
59.01250	40.4
68.11665	1.4
69.03311	1.6
70.27958	5.2
71.04913	1.5
75.00743	3.9
80.02551	10.9
81.03323	3.7
83.04890	22.3
84.02045	7.7
93.03326	1.4
95.04889	4.7
97.06481	5.6
98.03619	1.4
99.08028	3.5
103.55080	1.4
109.06484	3.6
113.09586	1.9
115.07540	1.8
118.08383	1.5
119.08538	2.0
121.10080	2.5
123.04437	2.6
123.08077	2.7
125.09603	5.1
127.11142	5.8
137.09612	56.5
138.09944	2.2
139.11194	17.7
151.11183	2.6
153.09073	6.1
155.10680	37.2
165.12759	3.3
167.10681	1.7
171.10165	53.1
179.10501	2.0
193.08372	21.9
193.12222	13.8
195.14024	1.4
207.09979	7.9
208.24397	1.4
215.10515	1.5
217.00179	2.2
227.62375	1.5
233.11497	8.8
247.20630	5.6
263.16168	2.5
263.20117	5.5
265.03470	1.3
265.21759	4.1
269.06985	2.0
275.20105	5.4
287.19846	3.3
291.19650	59.2
292.20096	6.6
293.21164	6.2
303.19604	2.0
309.20694	95.6
310.21085	6.7
313.17746	3.3
319.18900	10.1
320.19550	1.7
331.18878	100.0
332.19333	8.1
349.19861	3.8
357.05508	1.8
391.17444	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88356	1.5
57.03309	3.5
59.01247	60.3
61.98697	4.2
71.01236	2.1
71.30253	3.4
75.00731	1.6
80.02528	3.5
81.03336	4.6
83.01247	13.6
83.04897	5.9
95.04890	4.0
96.70476	1.4
96.95875	2.5
97.06474	5.0
98.03618	2.3
99.07999	1.8
107.04967	1.6
109.06522	1.6
113.09596	1.8
123.04379	4.0
123.08046	4.4
125.05992	2.8
125.09594	16.8
127.11118	1.8
135.08003	2.0
137.09627	2.0
139.11195	9.4
147.11717	1.5
151.11111	1.6
163.11183	14.2
165.12738	20.8
167.10687	7.9
168.11371	1.8
171.10201	2.5
174.99112	4.0
175.07225	2.4
178.61430	1.4
181.12271	5.1
183.13849	1.9
191.10718	4.0
193.15909	6.3
207.10051	3.1
209.11749	96.6
210.12119	4.9
217.00220	13.6
217.08551	1.6
219.17451	1.7
231.09970	47.2
232.10440	2.5
233.11502	1.9
247.20580	13.0
265.21603	4.1
273.18533	2.5
281.21307	2.0
287.19687	1.9
291.19638	100.0
292.19958	8.9
309.20685	81.0
310.20941	7.2
319.18759	5.8
331.18961	20.3
332.18994	2.4
337.22858	1.5
354.10068	2.6
391.21066	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	3.7
58.00454	2.4
59.01249	78.1
61.98698	2.7
68.40489	1.7
69.88558	9.1
71.01267	3.2
80.02528	11.4
84.02037	1.9
95.04917	2.9
96.95860	1.7
97.06449	3.3
97.10464	1.7
99.08015	2.0
99.92467	2.3
123.08010	15.5
125.09615	16.6
127.11176	11.0
132.97992	1.9
137.09619	22.9
139.11165	8.1
141.12691	3.2
155.10661	50.8
167.10669	6.2
168.96310	2.1
169.12251	2.2
171.10170	100.0
172.10542	4.5
174.99136	4.2
179.10429	2.1
185.11740	73.6
186.12105	4.4
193.08377	26.3
207.09943	51.8
208.10387	1.7
211.13374	2.2
212.10451	3.7
217.00250	15.4
223.09381	1.8
247.20709	5.8
263.20108	9.0
265.21732	2.5
280.78366	2.2
281.21179	12.2
281.23938	2.3
285.18332	6.5
287.19937	3.8
291.19604	36.3
292.20007	4.6
301.17834	3.3
303.19418	5.0
309.20685	89.1
310.20953	6.9
313.17896	2.5
317.17368	7.8
319.18887	22.9
331.18893	78.6
332.19193	6.8
349.20151	5.0
391.21017	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30539	1.7
57.03317	4.7
59.01250	44.9
63.92194	1.8
64.00654	1.6
70.04388	7.5
71.01259	2.4
73.62255	1.6
74.22246	1.7
77.28779	1.9
80.02558	9.3
80.56159	1.7
86.03763	1.8
86.75758	1.7
95.04878	3.0
98.20425	2.1
106.01582	1.7
123.08025	8.2
125.09621	8.6
127.11164	6.0
137.09610	26.0
139.11188	12.2
141.09154	2.0
141.12759	2.2
155.10672	26.6
171.10170	44.5
172.10530	2.3
174.99197	3.2
177.08856	2.0
179.10431	7.9
185.11754	39.4
193.08377	29.7
207.09952	100.0
208.10237	4.3
209.11656	2.4
212.10533	2.7
217.00211	8.1
217.08295	3.6
217.19603	2.1
223.09343	4.8
247.20676	2.4
249.45816	2.4
255.23325	2.0
263.20090	6.6
265.21777	2.0
269.72842	1.7
281.21228	6.4
283.16788	4.4
285.18323	13.4
287.19806	7.4
291.19678	13.8
301.17484	2.1
303.19363	8.2
309.20654	25.8
310.21155	4.1
317.17188	14.3
319.18878	36.6
320.19263	3.6
331.14822	3.8
331.18872	74.6
332.19211	8.0
335.31027	1.9
349.20053	10.2
363.17807	4.3
391.20804	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	392.1713
Annotation	Acetylgynuramine
Peak:m/z	Relative Intensity
56.89137	0.9
59.00950	1.2
59.01247	23.7
62.07475	0.9
65.94109	0.9
67.25174	0.8
70.30109	1.2
70.30450	3.6
71.01238	5.5
73.02813	1.9
75.00745	1.1
78.05204	0.8
83.01243	1.8
84.04414	4.8
85.02827	4.6
87.00741	1.9
89.02312	1.3
93.03331	2.5
100.03882	3.1
101.02310	4.3
102.05480	86.7
103.05803	1.4
108.04446	4.8
109.02822	3.4
110.05992	5.6
111.04413	2.1
113.02311	2.0
121.06442	1.4
123.07947	1.3
125.05970	5.4
126.58495	0.9
128.02487	1.7
128.03427	31.9
129.56039	0.9
135.02908	1.1
135.04379	1.0
136.05168	5.0
137.09549	1.3
138.06754	1.4
139.07518	3.8
140.09914	0.9
145.06531	1.0
146.04492	7.6
148.05226	1.1
149.05957	2.5
151.07526	7.9
152.08292	2.8
153.09117	1.6
161.04549	1.3
161.05870	0.9
161.09572	1.4
163.07532	3.2
165.09169	4.3
175.07516	1.2
187.07571	1.2
188.08307	1.2
191.05484	5.1
201.12802	11.3
203.10663	4.9
204.11465	9.6
219.13864	15.3
224.52939	1.0
227.10863	1.1
229.12227	1.1
230.09361	3.7
230.11833	0.8
231.06456	1.1
241.15933	1.0
244.13326	2.0
245.11761	7.2
263.12747	5.5
275.09216	1.4
285.46271	1.0
302.17502	1.8
348.17963	5.5
374.16055	13.0
375.16251	1.0
392.17072	100.0
393.16592	6.0
393.21667	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	393.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	4.2
57.91696	1.1
59.01247	20.0
60.99166	1.7
65.52827	1.1
67.01758	1.6
68.99664	1.2
69.03327	1.6
70.87196	3.0
71.01252	20.2
72.99175	6.5
73.02808	2.0
75.00739	21.4
79.61436	1.1
85.02821	22.6
87.00742	9.2
89.02318	6.9
89.97562	1.0
95.01256	7.0
99.00752	13.9
99.08032	9.1
103.00250	2.3
109.02867	1.3
113.02322	28.2
115.00243	2.2
117.01788	2.8
129.01823	2.3
130.08826	1.3
143.07033	25.9
175.02383	2.7
194.90771	1.0
198.18002	1.2
205.07063	1.5
231.05057	4.9
249.06125	29.5
254.06720	1.4
267.07065	5.4
319.00806	1.0
375.12924	4.1
393.13986	100.0
394.14279	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	393.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
59.01249	13.1
62.54689	0.3
65.01311	0.4
67.63981	0.3
69.35762	1.0
69.36185	2.5
71.01248	6.8
72.99176	13.4
73.02802	1.5
75.00742	90.4
76.01079	0.8
82.42011	0.3
85.02808	2.5
87.00751	1.6
89.02306	5.6
93.03333	2.4
95.01237	0.6
97.06466	0.6
98.20550	0.8
99.00735	0.4
101.02318	4.1
102.05461	0.4
113.02324	2.8
117.01809	0.6
119.03427	2.1
127.03879	0.5
133.02991	0.5
133.03906	1.8
134.03517	3.3
135.02893	2.2
135.04437	2.0
139.11125	0.4
161.04414	0.7
169.08614	0.4
171.10152	1.6
173.04449	1.7
176.04553	4.4
187.07555	1.1
191.05519	7.1
210.20963	0.4
213.09216	0.5
213.11256	6.4
231.10220	0.8
231.15948	0.8
247.07066	0.4
257.08047	0.9
275.09103	1.9
277.07150	1.1
289.13077	3.4
333.12051	5.0
334.11981	0.3
337.09302	0.9
375.20120	0.8
393.17554	100.0
394.17899	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	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03221	0.6
55.01749	1.7
57.03317	1.6
58.00480	3.4
59.01248	90.4
60.01604	0.8
63.24504	0.6
69.03332	1.1
71.01250	67.6
71.58718	0.9
72.01581	1.1
72.99180	4.1
73.02814	7.4
74.98974	1.5
75.00726	2.4
83.01263	2.8
85.02819	12.1
87.00738	4.2
89.02313	100.0
90.02630	2.4
93.03337	1.7
95.01251	2.3
97.02789	1.1
99.00748	2.7
101.02319	36.8
113.02324	23.0
119.03380	24.5
125.02309	2.6
131.02463	1.3
131.03389	18.7
134.03568	0.8
135.02884	8.3
136.98969	2.4
143.03380	5.8
149.04460	31.6
161.04445	5.9
162.01878	0.7
168.91972	0.7
173.04503	1.4
179.05519	16.3
187.07509	1.7
191.03947	1.1
191.05519	12.2
192.05777	0.7
231.10164	1.2
261.13406	4.1
275.09045	2.7
285.08679	0.9
333.19077	1.4
393.16751	4.4
393.21078	3.1
402.25784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
59.01249	13.1
62.54689	0.3
65.01311	0.4
67.63981	0.3
69.35762	1.0
69.36185	2.5
71.01248	6.8
72.99176	13.4
73.02802	1.5
75.00742	90.4
76.01079	0.8
82.42011	0.3
85.02808	2.5
87.00751	1.6
89.02306	5.6
93.03333	2.4
95.01237	0.6
97.06466	0.6
98.20550	0.8
99.00735	0.4
101.02318	4.1
102.05461	0.4
113.02324	2.8
117.01809	0.6
119.03427	2.1
127.03879	0.5
133.02991	0.5
133.03906	1.8
134.03517	3.3
135.02893	2.2
135.04437	2.0
139.11125	0.4
161.04414	0.7
169.08614	0.4
171.10152	1.6
173.04449	1.7
176.04553	4.4
187.07555	1.1
191.05519	7.1
210.20963	0.4
213.09216	0.5
213.11256	6.4
231.10220	0.8
231.15948	0.8
247.07066	0.4
257.08047	0.9
275.09103	1.9
277.07150	1.1
289.13077	3.4
333.12051	5.0
334.11981	0.3
337.09302	0.9
375.20120	0.8
393.17554	100.0
394.17899	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	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.7
59.01247	100.0
60.01595	1.2
62.85245	0.6
63.64035	0.7
69.72569	3.2
69.72989	1.1
71.01255	10.0
71.04874	0.8
72.99190	1.8
73.02817	3.8
74.98941	0.7
75.00752	2.5
81.03326	0.8
83.01243	1.3
85.02821	4.9
87.00739	4.3
89.02316	6.1
91.68758	0.7
93.03340	2.4
95.01264	0.9
99.00758	1.2
101.02307	7.7
103.03914	1.1
103.29612	0.7
113.02325	4.6
115.03839	0.9
117.01843	2.5
119.03396	3.3
120.99556	1.1
129.05536	0.7
131.03455	0.8
135.02913	2.4
135.04425	1.2
136.99046	1.4
143.03423	0.7
145.03963	4.9
145.05003	0.9
157.08574	0.9
159.04398	1.8
161.04506	2.2
163.06006	2.0
165.05487	1.0
171.10170	58.0
172.10524	2.8
173.04463	2.3
173.05928	1.5
187.07567	3.9
191.05508	7.3
197.04503	1.4
202.06421	1.1
205.07101	0.8
213.11282	2.0
231.10294	1.8
273.16980	1.3
275.09262	9.6
333.15649	1.5
393.12393	5.1
393.17081	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	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.4
55.22454	1.3
57.03316	4.6
58.00459	5.8
59.01248	100.0
69.03333	2.2
69.51447	10.0
71.01250	75.0
71.04887	4.2
72.01569	1.6
72.30643	1.3
72.99171	10.2
73.02429	2.8
73.02817	33.2
74.98976	2.0
83.01247	6.8
84.94910	1.3
85.02818	23.1
85.86270	1.7
87.00747	15.5
87.04368	3.5
89.02312	69.5
90.02687	1.8
95.01265	2.6
97.02824	2.4
99.00785	2.9
101.02316	69.8
103.03884	19.0
113.02319	19.3
113.05939	1.5
115.03899	7.6
119.03381	28.4
120.99507	1.8
125.02345	3.1
125.09600	3.3
127.03912	3.1
129.05504	1.9
131.03410	14.9
135.98212	2.2
136.98961	2.4
142.06511	5.7
143.03406	16.4
143.07030	3.1
145.04948	5.6
149.04414	1.5
155.10649	1.6
159.05527	5.5
161.04459	5.3
163.06029	44.5
164.30092	1.4
169.08620	5.3
170.06061	2.1
171.10123	1.8
179.05510	8.7
187.09685	4.1
188.07114	10.3
191.05455	8.6
205.07115	30.1
206.07471	1.8
213.06487	3.6
217.10805	2.6
231.07661	2.3
247.11815	2.2
273.17020	9.8
275.09238	2.4
345.57977	1.7
393.17795	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	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
59.01249	17.9
59.31657	0.7
65.44833	0.6
68.49467	0.7
69.25035	8.5
71.01246	7.8
72.99178	17.0
73.02833	1.3
75.00743	99.5
83.01257	0.8
85.02824	3.7
87.00734	2.2
89.02318	5.7
93.03316	2.9
95.01258	1.0
97.06386	0.7
101.02328	5.6
111.04394	1.4
113.02354	3.8
115.06687	0.7
117.01764	1.1
119.03378	2.2
121.02823	0.8
133.02910	0.9
133.03934	3.3
134.03534	5.0
135.02870	4.3
135.04401	2.6
167.10597	1.1
169.08633	0.7
171.10156	2.4
173.04416	3.2
176.04535	8.7
179.03343	0.8
185.24167	0.8
187.07564	0.9
188.44193	0.8
191.03955	0.9
191.05530	10.7
213.11281	6.7
216.16774	0.8
257.08231	1.3
275.09216	3.4
277.07126	2.1
289.13089	5.0
333.11963	7.7
334.12152	0.8
375.19955	1.5
393.17542	100.0
394.17749	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.6
59.01247	98.8
67.01742	1.7
69.35376	19.0
71.01251	7.4
72.86835	2.2
72.99147	2.2
73.02812	6.0
75.00741	3.6
83.04903	3.0
85.02821	5.6
87.00745	21.3
93.03325	6.7
95.04892	2.1
97.06437	5.0
101.02299	2.6
104.71106	1.8
105.03354	5.4
113.02332	3.0
117.01812	29.6
118.74607	1.9
119.04958	1.9
121.60346	1.8
129.09087	5.1
132.02074	2.5
133.02827	8.4
134.03625	20.2
135.02925	9.6
135.04382	14.5
137.02342	2.9
149.00015	1.9
162.03084	6.0
163.03902	3.4
163.49950	1.7
173.04500	9.6
177.01796	5.1
178.02689	4.5
179.03468	2.6
191.05510	29.1
192.05859	2.5
205.72855	2.1
209.11758	100.0
210.12009	5.7
227.12820	6.5
231.10216	12.5
266.55804	2.0
275.09222	49.7
276.09464	4.4
346.94592	2.0
393.16086	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	393.213
Annotation	JBIR-56
Peak:m/z	Relative Intensity
55.01748	2.0
57.03323	4.4
58.00480	0.7
59.01250	100.0
60.01588	1.1
65.03867	0.4
67.01758	0.9
68.99698	0.8
69.03315	1.2
71.01251	19.0
71.59702	0.7
72.99179	2.3
73.02814	8.0
75.00750	2.6
78.57343	0.4
83.01254	4.7
83.04903	0.5
85.02332	0.9
85.02824	12.1
85.99967	0.8
87.00750	5.1
87.04361	0.7
89.02316	3.5
92.18647	0.4
93.03323	3.8
95.01270	1.3
95.04930	0.5
96.13396	0.4
97.02854	0.8
97.06468	1.2
99.00746	3.7
99.04413	2.4
101.02319	17.9
105.03314	0.6
109.02841	0.6
111.00789	0.8
111.04403	1.2
113.02324	7.5
116.07053	1.1
117.01823	4.2
119.03378	1.5
119.04893	1.1
120.99519	1.0
121.02859	0.5
123.04373	0.8
125.02342	1.8
127.03907	0.8
129.01797	0.7
133.02844	1.6
134.03627	2.9
135.02919	4.7
135.04417	4.4
137.02388	0.5
141.01860	0.6
143.03403	0.8
145.04030	0.7
157.08586	0.6
159.02882	1.4
160.01581	0.7
161.02434	0.9
161.04459	5.9
162.03104	0.5
163.03923	0.9
171.10220	0.6
173.04512	3.8
177.01877	0.8
179.03394	1.4
180.78223	0.5
187.07489	0.9
191.05537	13.8
192.05878	1.2
203.10693	0.6
225.11229	1.1
231.10236	2.1
231.16003	1.6
247.89270	0.5
249.13353	0.5
257.08173	0.8
275.09244	6.7
275.95062	0.5
276.09592	0.5
317.12909	0.6
333.19156	5.5
337.09265	0.8
375.20221	5.8
376.20517	0.9
393.21262	94.5
394.21869	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	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49771	1.6
58.86269	1.8
59.01252	100.0
64.62724	1.6
69.03325	2.2
70.97315	4.7
71.01260	8.5
72.99162	1.9
73.02805	4.7
75.00736	5.1
78.95763	2.5
79.90725	1.8
83.01263	2.0
83.04909	2.5
85.02823	5.0
87.00755	17.8
89.02309	2.9
93.03345	11.1
97.06456	6.6
101.02298	4.0
105.03289	1.8
109.02802	3.0
111.04400	2.0
113.02364	2.5
117.01830	21.2
119.04861	3.9
120.99567	2.6
133.02821	5.6
134.03624	13.4
135.02931	11.4
135.04443	17.5
137.02269	1.7
147.06604	1.8
151.03889	2.2
155.94270	1.7
159.04437	2.0
161.04337	1.8
162.03111	3.3
163.03883	4.4
173.04446	13.3
177.01823	3.0
178.02544	2.6
179.03421	3.1
191.03920	3.2
191.05554	38.6
209.11768	98.3
210.12057	5.0
215.20676	1.7
227.12883	5.6
231.10274	10.2
235.05954	3.0
275.09235	31.1
279.06631	2.4
337.09210	4.3
393.11670	3.0
393.16312	1.9
410.28601	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.0
57.03323	4.4
58.00480	0.7
59.01250	100.0
60.01588	1.1
65.03867	0.4
67.01758	0.9
68.99698	0.8
69.03315	1.2
71.01251	19.0
71.59702	0.7
72.99179	2.3
73.02814	8.0
75.00750	2.6
78.57343	0.4
83.01254	4.7
83.04903	0.5
85.02332	0.9
85.02824	12.1
85.99967	0.8
87.00750	5.1
87.04361	0.7
89.02316	3.5
92.18647	0.4
93.03323	3.8
95.01270	1.3
95.04930	0.5
96.13396	0.4
97.02854	0.8
97.06468	1.2
99.00746	3.7
99.04413	2.4
101.02319	17.9
105.03314	0.6
109.02841	0.6
111.00789	0.8
111.04403	1.2
113.02324	7.5
116.07053	1.1
117.01823	4.2
119.03378	1.5
119.04893	1.1
120.99519	1.0
121.02859	0.5
123.04373	0.8
125.02342	1.8
127.03907	0.8
129.01797	0.7
133.02844	1.6
134.03627	2.9
135.02919	4.7
135.04417	4.4
137.02388	0.5
141.01860	0.6
143.03403	0.8
145.04030	0.7
157.08586	0.6
159.02882	1.4
160.01581	0.7
161.02434	0.9
161.04459	5.9
162.03104	0.5
163.03923	0.9
171.10220	0.6
173.04512	3.8
177.01877	0.8
179.03394	1.4
180.78223	0.5
187.07489	0.9
191.05537	13.8
192.05878	1.2
203.10693	0.6
225.11229	1.1
231.10236	2.1
231.16003	1.6
247.89270	0.5
249.13353	0.5
257.08173	0.8
275.09244	6.7
275.95062	0.5
276.09592	0.5
317.12909	0.6
333.19156	5.5
337.09265	0.8
375.20221	5.8
376.20517	0.9
393.21262	94.5
394.21869	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	393.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01252	9.7
59.98385	1.2
61.98709	1.1
69.58847	4.7
71.01251	13.0
83.33096	0.6
84.59335	0.6
85.02814	1.0
85.08652	0.6
96.95861	1.9
99.04386	0.8
99.92447	1.4
111.08060	0.9
115.91949	0.9
125.99259	1.4
133.69693	0.6
139.11211	2.8
140.00766	0.8
141.12714	1.6
141.98706	0.8
143.10635	1.8
153.09036	0.8
155.10701	4.1
165.01579	2.7
167.10655	6.0
185.11719	1.3
187.67159	0.6
191.05545	1.0
193.04759	5.4
195.09926	0.6
207.06197	0.8
207.10030	2.0
214.11911	0.8
222.08693	1.6
223.09445	1.2
235.09511	1.5
236.10240	100.0
237.10609	4.9
249.22101	0.8
262.11887	2.2
265.21671	2.1
267.23337	0.9
268.09277	1.8
276.14047	0.6
293.21228	5.8
296.11124	5.0
305.20834	0.7
307.21237	1.3
309.20642	0.7
311.22238	59.9
312.22552	4.6
331.17505	0.8
333.20425	63.1
334.20804	5.5
351.20139	2.7
365.18115	2.8
377.69708	0.7
379.99597	0.7
393.21188	4.8
394.21774	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	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52279	0.6
57.03310	3.0
59.01247	23.1
60.27703	0.9
61.98698	0.8
69.03310	0.8
71.01254	1.7
71.58315	1.1
71.58727	1.0
80.33875	0.8
93.03314	0.8
96.95915	0.9
99.08034	2.1
99.92451	3.5
100.50385	0.8
106.58536	0.7
113.09593	6.4
116.92733	1.3
125.09615	1.8
127.11167	2.4
129.09074	4.2
134.94324	0.7
137.09593	0.8
139.11195	11.8
141.09058	1.0
147.11710	1.8
151.11195	1.4
153.09158	0.8
155.10641	0.9
163.11217	1.2
165.12750	4.4
167.10701	1.0
169.12207	2.4
171.08736	1.3
171.10178	16.6
179.10378	1.3
181.12236	2.9
183.10167	1.6
183.13837	1.8
185.11699	3.4
193.08333	4.0
193.12238	1.8
197.11731	6.3
199.13304	3.0
201.11214	3.6
207.09944	10.8
208.10397	1.2
211.13319	11.0
212.13618	1.1
215.10397	4.2
217.00261	1.7
219.09967	14.1
223.09610	0.9
225.09764	1.2
233.11530	26.5
234.12086	0.9
247.20625	1.5
249.09821	1.0
249.13309	1.3
251.11366	5.1
253.09280	1.9
265.21548	1.1
267.10699	1.2
271.23257	0.8
275.20169	1.4
279.10675	1.1
289.17789	0.9
293.12436	6.8
293.21194	10.1
294.21481	0.9
311.22253	100.0
312.22617	8.9
315.19357	14.2
316.19708	1.7
333.20438	23.3
334.20782	2.3
337.73459	0.8
377.19376	6.6
393.21710	12.5
394.21838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	10.1
69.97903	1.0
70.01228	4.2
71.04899	1.8
77.10071	1.2
91.59480	1.1
93.03379	1.0
97.02833	1.3
99.92451	2.0
100.08448	0.9
125.09573	1.1
130.20435	0.9
139.11162	1.7
154.09869	3.7
155.10687	1.9
177.12782	3.6
195.13815	2.9
196.36671	1.0
233.11571	3.2
244.10757	3.5
247.20558	1.1
249.22153	3.7
258.12326	3.5
262.11847	10.0
286.87564	1.0
293.21219	59.0
294.21561	4.3
305.20364	2.1
306.19891	1.1
311.22256	84.9
312.22577	6.4
315.19394	12.1
333.20422	100.0
334.20724	9.2
338.18246	1.0
404.18600	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	393.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48459	0.8
57.03321	1.5
59.01248	20.9
61.98695	5.7
63.53141	0.8
69.03323	1.2
71.04884	1.3
71.58270	1.7
81.03359	0.8
83.04884	1.0
93.03334	1.0
97.02852	2.0
97.06466	1.6
99.08041	2.5
99.92503	2.0
113.09621	5.8
125.09600	2.1
127.11219	1.3
135.08025	0.9
137.09457	0.8
139.11171	29.0
153.09038	1.0
155.10699	1.1
163.11174	1.5
165.12714	4.3
167.10641	1.9
171.10178	26.0
172.10490	1.2
181.42928	0.8
183.13733	1.0
185.11786	1.1
193.08397	13.1
193.12227	1.1
195.13913	1.4
207.09941	14.6
211.13295	3.0
215.10472	3.6
219.09923	2.0
233.11548	23.1
234.11876	0.9
248.10265	1.8
249.22166	2.0
251.11360	1.6
253.09221	0.9
291.34207	0.9
293.12271	0.9
293.21231	28.7
294.21564	2.7
301.39786	0.9
311.22247	100.0
312.22601	6.0
315.19339	3.6
333.20404	40.7
334.20688	3.7
352.20551	0.9
377.19455	3.2
377.58661	0.8
393.21942	12.5
394.21722	1.5
407.73679	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	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87370	0.7
57.03308	1.6
57.24130	0.7
59.01249	22.0
61.98697	6.1
67.01758	0.8
69.03330	0.8
69.54480	2.6
69.54888	2.6
71.01244	1.0
83.04876	1.5
95.04896	0.9
97.02824	1.7
97.06483	0.9
99.08013	1.5
99.92457	1.7
107.11819	0.8
113.09608	4.1
121.10101	0.8
125.09578	1.3
127.03891	0.9
129.09100	2.3
139.11169	10.0
141.09143	0.7
147.11671	2.6
151.11154	1.6
153.09167	0.7
153.12730	1.0
153.16733	0.8
163.11201	1.4
165.12752	3.8
167.10715	0.8
169.12257	1.7
171.10194	9.6
181.12225	2.9
183.13782	1.8
193.08409	11.0
193.12166	3.9
197.11765	7.8
199.13303	4.4
207.10002	1.7
211.13322	12.1
215.10489	6.2
215.12421	1.3
219.09914	1.7
233.11545	63.9
234.11884	3.2
237.09856	1.0
249.13373	1.1
251.11322	4.3
253.09241	1.5
275.20120	2.1
279.10889	1.5
293.12415	8.7
293.21191	14.4
294.12747	1.1
298.07489	0.8
307.42175	0.7
311.22266	100.0
312.22610	8.2
315.19400	2.0
333.20502	7.0
336.10873	0.8
377.19302	1.9
393.22342	14.9
394.22351	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	393.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21209	30.2
57.27542	35.3
62.36985	31.6
70.60164	34.3
83.85161	34.1
86.08144	29.9
98.19769	100.0
123.81140	32.8
125.89350	43.0
212.89494	32.7
229.36880	31.4
328.27225	35.6
330.99136	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	394.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
61.98701	100.0
71.58661	0.5
88.09642	0.3
93.03323	0.3
96.95855	0.3
97.02827	0.5
221.70717	0.3
225.15518	0.3
262.11948	1.1
291.19730	2.1
292.20108	0.4
309.20679	1.7
394.18466	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	395.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.8
57.03291	1.0
58.00453	1.2
59.01249	38.1
67.39149	0.7
71.01252	24.1
72.99168	3.2
73.02808	1.1
75.50417	0.7
77.71492	0.7
83.01267	1.9
85.02826	5.5
87.00768	1.0
89.02312	20.0
95.01268	2.3
99.00736	1.0
101.02319	17.3
113.02332	8.6
119.03436	6.9
119.04900	9.2
126.77827	0.7
145.03981	46.9
164.87070	0.8
173.03453	2.5
174.05492	1.2
191.05586	1.6
197.07126	1.0
215.08200	8.3
233.09279	2.0
395.14560	100.0
396.14862	9.5
400.62424	0.7
409.41989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1917
Annotation	Creoside IV
Peak:m/z	Relative Intensity
54.89454	0.4
55.01758	4.5
55.40710	0.4
57.03316	3.5
58.00442	1.6
59.01249	43.4
65.95705	0.4
68.99670	0.8
69.03307	1.2
69.52538	0.8
69.52866	3.7
71.01250	42.6
72.01567	0.6
72.99181	2.4
73.02814	21.7
75.00739	0.9
78.95760	1.0
83.01252	12.0
84.02028	0.5
85.02820	26.2
85.99959	1.7
86.03185	0.6
87.00726	2.7
89.02319	7.5
93.03326	1.9
95.01266	3.7
96.95889	0.4
97.02833	2.3
97.06448	0.5
99.00753	9.8
99.08036	0.5
101.02319	47.5
102.02649	0.8
109.02824	0.5
111.00757	1.1
113.02328	18.4
114.02628	0.5
115.03867	1.3
119.03379	2.4
123.58154	0.4
125.02312	1.8
127.04010	0.5
129.01830	1.2
131.03387	1.7
134.03654	0.7
135.04375	0.8
143.03398	2.1
149.04401	1.1
155.03395	0.5
159.02937	3.8
161.04465	18.9
162.04832	0.7
173.04526	0.6
191.05510	3.5
231.10129	0.7
233.06647	1.4
263.14972	100.0
264.15305	6.0
267.70132	0.4
275.09146	1.1
296.29276	0.4
307.13873	0.9
335.20670	2.1
370.69049	0.5
395.19199	34.7
396.19702	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	396.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52571	0.4
54.42106	0.5
54.55334	0.3
54.78916	0.4
56.35232	0.4
59.01258	0.7
61.98700	100.0
69.56886	2.8
71.01257	0.4
76.24741	0.3
88.03925	0.7
96.95877	0.4
161.82376	0.4
169.65077	0.4
170.11090	0.5
188.02002	0.4
293.21304	1.3
311.22366	2.1
336.19412	0.8
350.17599	0.5
396.19962	5.2
396.28418	0.7
397.20377	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	397.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40617	1.7
55.01742	6.2
57.03319	4.2
58.00459	5.1
59.01247	100.0
60.87597	1.4
61.98709	2.3
65.31342	1.4
69.03326	6.6
70.94370	3.2
70.94727	2.4
71.01248	95.5
71.66283	1.5
72.98824	1.4
72.99155	9.6
73.02805	20.6
75.00756	2.3
81.03337	3.7
83.01260	13.0
83.04842	1.8
83.87142	1.4
85.02811	23.4
85.99976	2.4
87.00756	20.2
87.73721	1.6
89.02314	74.6
89.40746	1.6
91.03869	1.7
95.01261	6.2
96.92542	1.7
97.02824	18.3
97.86705	1.5
99.00740	7.0
101.02316	79.6
104.75961	1.6
109.02846	1.6
111.00739	2.2
111.04405	4.3
113.02324	27.6
114.02647	1.6
119.03388	25.9
121.02864	2.5
125.02345	23.1
127.03952	1.9
131.03407	3.0
133.04964	4.6
139.00171	1.7
139.03915	3.2
141.01817	1.7
143.03413	11.6
148.74374	2.0
149.04413	2.9
161.04453	13.4
169.04951	1.9
179.05460	6.3
217.07045	3.8
221.06615	5.0
227.07170	2.3
235.08174	23.2
240.34113	1.6
245.06543	1.8
253.09181	2.4
263.07770	3.1
277.09280	2.2
287.07626	2.0
300.13657	3.7
305.08643	4.3
345.42618	1.8
361.11258	4.5
379.11978	1.7
397.13446	75.3
398.13882	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	397.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07934	1.7
51.15387	1.7
59.01249	18.4
64.59358	1.8
69.03309	3.0
71.01248	21.8
72.99160	2.5
73.02789	2.6
83.01231	2.2
85.02818	7.1
87.00763	4.1
89.02308	4.8
93.03339	5.7
96.95889	5.5
101.02328	10.3
113.02332	5.5
119.03356	3.3
120.99536	17.3
126.56145	2.0
133.04910	2.2
135.04358	3.0
173.04456	3.2
191.05518	5.5
199.13304	14.4
201.14909	2.5
244.42151	2.1
361.18665	100.0
362.19031	10.6
382.14468	2.2
397.14944	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	397.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94841	0.5
57.03310	0.5
57.66207	0.4
59.01249	100.0
60.01561	0.8
69.03301	0.7
69.22881	0.4
69.41519	4.1
71.01249	2.2
74.13261	0.4
83.04906	0.6
85.02851	1.0
87.00732	0.8
89.02294	1.2
93.03375	0.8
95.72130	0.5
97.06546	0.7
98.20562	0.9
99.00759	0.7
101.02345	0.9
102.98486	1.0
109.02834	0.6
113.02346	2.1
120.99532	8.2
121.02832	1.3
122.10870	0.5
134.02745	0.5
134.03590	2.6
137.02303	0.6
158.34462	0.5
167.01613	1.1
168.91522	0.6
170.92796	0.6
173.04515	1.3
178.02621	1.0
182.84126	0.5
191.05530	3.1
202.31499	0.5
235.10744	0.5
247.64372	0.6
332.57874	0.5
397.18402	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	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99537	2.1
68.35450	1.9
69.52922	19.7
69.67793	2.5
72.99176	2.3
74.12409	2.2
81.97211	2.2
85.02835	4.0
86.49243	2.1
89.02305	4.6
93.03304	3.2
108.02073	3.7
110.51068	2.1
113.02289	2.5
127.00212	2.8
135.04436	2.2
148.73460	2.1
153.80426	2.1
174.97336	3.2
176.01062	76.5
191.03421	100.0
191.05286	5.9
192.03769	4.2
205.98515	3.9
221.00761	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	399.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36716	0.3
56.54554	0.3
59.01246	1.6
69.47130	2.2
71.01250	0.5
72.42310	0.3
93.03313	0.4
101.86731	0.3
108.02048	1.6
108.09963	0.3
136.01541	4.1
139.01653	0.3
159.41428	0.3
163.00259	2.6
163.03905	0.4
164.01060	2.1
168.79990	0.3
178.06236	0.6
182.25519	0.3
190.99779	17.3
191.05580	0.8
191.37938	0.3
192.00557	100.0
193.00943	4.4
193.08635	1.5
206.02135	23.6
207.02916	63.4
208.03279	2.7
307.19052	0.4
325.20038	0.4
339.15689	0.7
399.10724	8.8
400.11032	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	399.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73381	1.2
55.01767	1.4
57.03314	4.9
57.36587	1.1
58.00462	1.8
59.01246	21.0
62.78446	1.2
67.01772	6.2
68.99686	8.1
69.03319	6.4
69.11762	1.2
69.91600	6.9
69.91975	2.4
71.01249	36.8
72.99191	2.3
73.02788	1.9
75.00709	1.2
81.00452	1.2
83.01247	3.5
85.02818	44.8
85.99934	2.2
86.48582	1.3
87.00748	15.8
89.02299	4.7
91.03870	5.9
91.05402	76.5
92.05722	2.7
93.03322	1.7
95.01270	10.4
97.02829	2.2
101.02312	3.7
103.00238	3.9
105.33973	1.3
111.00756	7.5
112.01516	1.7
113.02324	58.4
114.86434	1.6
115.32056	1.3
117.03345	16.5
121.02820	2.2
123.04359	2.4
127.03825	1.9
129.01807	5.0
131.44763	1.4
135.04408	69.5
136.04732	2.2
139.00230	4.9
155.03387	1.9
157.01419	2.0
171.10060	3.7
187.06012	1.5
189.03935	1.7
191.05521	4.7
205.07080	19.0
206.07272	1.4
231.05035	2.2
237.09695	1.4
249.06169	9.9
251.11162	3.1
263.04971	3.0
263.07693	49.5
263.10468	2.9
264.07986	2.0
281.08759	100.0
282.09225	3.4
399.12842	52.5
400.13141	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.8
57.03324	4.9
58.00456	3.0
59.01250	45.9
69.03297	2.5
71.01252	47.3
71.58385	1.4
72.01624	1.8
72.99177	20.5
73.02827	6.5
75.00755	11.7
75.21131	1.8
83.01274	2.7
83.04922	3.1
85.02823	24.7
87.00742	19.6
89.02311	29.1
93.03342	3.3
93.06905	1.5
95.01277	2.4
96.95910	2.6
97.02822	2.2
99.00751	20.4
101.02316	22.3
103.00272	8.2
105.01805	25.6
107.04803	2.1
109.02832	3.7
113.02320	18.9
113.05961	5.7
117.01793	4.5
119.03393	13.3
129.01831	3.0
131.03375	3.6
134.03601	2.0
135.02901	8.2
135.04410	1.8
143.03397	2.1
160.08868	8.4
161.04449	4.6
161.09619	6.3
162.09935	2.0
165.09163	2.4
168.58955	1.7
171.10207	6.8
173.04483	2.5
173.09665	2.8
175.02415	5.1
175.07616	3.0
175.11198	16.7
177.09187	3.4
179.05534	3.6
179.10696	6.9
191.05537	18.3
191.10757	3.6
193.03456	31.8
201.09039	2.1
203.07008	1.8
204.07808	2.4
205.12279	2.3
217.12259	2.2
219.10194	35.2
219.12161	3.0
220.10706	2.4
223.13303	8.8
251.11333	4.9
261.10941	1.9
317.26013	2.0
399.16629	100.0
400.11957	2.7
400.16782	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	399.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	4.5
57.03327	4.9
58.00473	4.4
59.01249	100.0
63.40379	1.6
69.03303	3.3
69.57085	8.0
69.57490	4.0
71.01249	81.6
72.99182	16.6
73.02821	13.0
75.00744	10.2
83.01249	5.1
83.04891	3.1
85.02824	28.8
87.00751	15.1
89.02307	45.3
93.06986	2.4
95.01250	6.0
99.00739	5.6
101.02318	59.5
103.00285	5.2
105.01804	19.1
111.00776	2.1
113.02324	35.6
113.05973	2.4
114.02639	1.7
116.68717	1.9
119.03386	20.9
120.58208	1.7
121.02876	6.0
123.04382	2.2
126.20298	2.1
129.90797	1.8
131.03377	4.4
133.42331	1.7
135.02760	5.8
135.04448	2.2
139.07561	2.5
143.03407	4.0
154.02873	1.7
155.03374	3.0
159.02838	3.2
160.08832	20.8
161.04462	22.2
165.09186	2.1
171.10211	7.3
173.09654	3.7
175.02438	3.8
175.11201	32.1
177.09172	2.1
179.01712	2.7
179.05559	3.9
191.05580	5.4
191.10686	2.5
193.03485	16.6
205.12291	2.1
217.12537	2.4
219.10210	53.0
220.10558	2.7
251.11330	81.9
252.11652	4.7
261.11295	2.5
399.16644	78.5
400.17175	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	399.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17536	1.6
55.01751	1.9
57.03307	5.5
59.01249	33.1
69.03308	2.8
69.79630	11.2
71.01251	46.2
72.99181	11.8
73.02805	4.8
75.00741	31.1
78.95763	3.8
81.03323	2.7
83.01270	2.0
83.04925	1.9
85.02818	24.9
87.00748	38.5
87.04382	2.3
89.01828	1.9
89.02308	12.1
93.03326	2.7
95.01273	3.1
95.04889	3.8
95.81477	1.4
97.02795	2.2
98.20495	3.3
99.00737	5.7
101.02306	11.7
103.00236	11.2
105.01807	39.6
109.02832	5.7
111.00799	2.1
111.04392	3.5
111.08001	2.6
113.02335	16.0
113.05954	5.4
116.01047	2.8
117.01805	3.1
119.03379	5.0
121.06442	2.3
125.05991	2.4
133.01324	3.9
135.02908	14.9
136.05174	6.7
137.05966	2.8
137.09619	2.4
139.07526	4.8
151.07515	7.6
152.99515	4.2
161.04523	2.0
161.09624	4.8
165.09071	5.0
166.06235	1.8
166.84512	1.6
173.04416	2.2
174.17229	2.2
175.02438	4.0
177.09148	6.5
191.05531	7.3
191.52132	1.8
193.03569	8.0
201.09203	2.6
203.10805	1.8
205.12222	4.7
219.10220	10.2
223.13293	3.7
237.11252	4.8
263.12857	2.2
265.14511	1.9
281.13959	3.3
336.88962	2.0
371.16891	2.5
381.15509	2.4
399.16577	100.0
400.16946	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	399.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19266	0.6
55.01758	7.2
55.78267	0.6
57.03326	5.6
58.00465	2.9
59.01249	50.9
69.03321	2.2
71.01250	100.0
72.01591	1.1
72.99174	4.2
73.02814	29.8
75.00723	1.0
83.01255	15.7
84.02067	1.2
85.02818	42.1
85.99959	0.8
86.03173	0.9
87.00747	5.4
89.02314	29.6
93.03323	1.9
95.01251	8.0
97.02826	1.6
97.07936	0.5
98.20545	1.6
99.00756	12.8
99.01413	0.8
101.02319	74.6
101.30505	0.6
102.02665	1.3
105.88548	0.5
111.00752	2.8
113.02328	42.1
114.02602	0.9
117.01855	0.6
119.03382	16.2
125.02335	2.6
129.01826	1.9
131.03407	1.0
135.04414	1.0
141.01752	1.0
143.03415	4.4
149.04434	0.8
159.02901	7.4
161.04460	30.0
167.14273	1.6
173.04417	1.4
178.02570	0.8
179.05547	1.6
183.04361	0.8
191.05531	3.7
201.05702	0.6
205.03473	2.1
227.03352	1.4
237.18498	1.4
266.05682	1.1
304.51736	0.6
381.13565	1.7
399.15137	4.9
399.23828	31.9
400.15146	0.9
400.24045	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	399.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06886	0.7
59.01248	100.0
60.01594	1.0
64.51804	0.6
71.01258	3.0
71.59014	1.0
73.02829	1.0
83.04896	0.8
84.02048	2.4
85.02840	1.6
87.00743	0.8
89.02323	1.8
93.03326	0.9
97.02810	0.8
97.06449	1.3
99.04394	0.8
101.02322	3.5
109.07495	0.7
113.02325	1.0
125.09646	1.4
147.04524	0.7
152.01060	1.1
171.10187	4.7
173.04425	0.8
183.13721	1.7
191.05513	3.5
193.12247	0.8
209.11848	1.7
211.13379	0.7
225.14900	2.1
243.16161	0.9
243.22572	0.7
255.93874	0.7
284.74036	0.6
291.19601	1.0
325.19983	0.9
339.25226	1.5
341.23254	10.2
342.23520	1.4
385.22235	0.7
399.10709	1.6
399.19025	24.0
400.19232	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	401.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69571	1.0
55.01752	4.0
56.29572	1.1
57.03326	2.0
59.01245	12.6
67.01778	1.3
69.03325	100.0
69.53625	9.3
70.03656	1.5
70.13689	1.1
71.01248	12.1
72.99174	3.1
73.02824	10.1
75.00747	1.7
80.94237	1.1
82.74178	1.1
82.76474	1.0
85.02822	4.7
87.00747	3.8
89.02313	5.1
95.01277	2.6
97.02829	18.5
99.00754	25.8
100.40554	1.3
101.02327	5.2
105.01814	1.3
113.02314	5.9
118.61452	1.5
119.03374	2.2
139.07526	1.4
141.01849	9.4
141.05444	1.8
141.51231	1.1
161.04428	1.7
165.09100	7.4
171.10086	1.9
177.12651	1.5
179.10612	2.3
181.08485	1.5
185.00835	55.3
186.01192	2.1
191.05511	2.6
191.10701	1.3
203.10629	3.4
215.09195	6.2
221.11775	10.9
226.58356	1.6
318.85440	1.5
383.16428	1.4
392.61856	1.2
395.19974	1.3
401.10779	18.8
401.17920	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	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55214	0.7
53.30720	0.6
53.35707	0.7
59.01249	12.4
67.01763	1.4
67.54613	0.9
68.99689	4.1
69.03316	1.8
69.62424	5.1
71.01247	8.7
71.34585	0.6
72.99181	1.2
73.02821	1.0
75.00748	1.0
85.02809	4.5
85.44940	0.8
87.00756	2.1
88.10979	0.7
89.02316	7.1
91.05386	1.1
93.03333	46.5
95.01266	7.0
99.00751	1.5
101.02327	11.6
102.85531	0.7
113.02325	5.2
115.00288	1.1
117.03308	0.9
119.03376	2.3
119.62357	0.7
121.02787	1.1
123.04398	9.5
125.02343	0.8
127.03919	1.6
133.02841	0.9
135.04399	2.3
137.02339	100.0
138.02679	3.0
143.03493	0.8
149.02324	0.8
151.03922	2.4
154.74376	0.6
155.03407	16.1
156.03737	0.9
156.54105	0.7
161.02345	3.0
175.02409	1.1
179.03386	1.5
189.01851	1.5
191.05592	1.9
193.05005	1.0
194.66786	0.8
217.35294	0.8
221.04500	27.3
222.04860	1.8
225.07619	1.2
263.07715	4.9
401.10779	8.7
401.18317	1.4
402.11411	1.1
416.86563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	8.2
57.03308	4.9
59.01252	50.8
63.00537	1.7
66.13052	1.8
69.03319	2.2
71.01252	100.0
72.99154	3.1
73.02818	39.5
75.00751	2.0
83.01250	16.0
85.02820	53.2
85.99962	2.2
87.00751	2.5
89.02303	8.7
95.01254	9.0
97.02820	2.3
99.00767	17.4
101.02318	82.6
111.00766	2.6
113.02330	43.3
125.02322	4.2
129.01846	2.1
131.03345	2.9
143.03415	2.5
153.76404	1.9
159.02898	5.7
161.04459	33.2
209.23567	1.7
253.94211	1.8
269.10291	48.6
270.10852	2.6
321.61017	2.3
349.89444	2.1
401.14450	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	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	24.2
58.00474	1.8
59.01249	53.3
61.98321	1.3
69.03339	6.6
69.70229	5.6
69.70644	3.7
71.01250	42.9
72.99159	3.4
73.02815	8.1
75.00763	1.4
83.01257	3.8
83.04902	1.6
85.02815	18.7
87.00735	4.1
89.02317	24.2
95.01258	3.4
95.04893	3.3
97.02816	5.9
99.00782	3.4
101.02314	21.6
101.88580	1.3
113.02325	17.3
119.03382	9.6
121.06488	1.6
123.04437	2.7
123.08033	10.9
130.99706	1.8
133.89946	1.3
135.04404	9.6
135.08022	3.2
139.07608	1.4
143.03336	1.5
144.80246	1.4
148.05182	1.8
151.07538	29.6
151.11102	1.6
158.07295	1.8
159.02820	1.8
160.08861	3.2
161.04509	8.4
161.09633	11.0
163.07547	21.6
165.09145	11.1
168.07806	2.9
173.09570	2.2
175.39569	1.5
177.09145	7.3
179.05440	1.4
179.10696	16.9
185.00848	3.2
187.07588	1.7
188.08379	9.5
191.05566	2.8
203.10699	65.4
204.11040	3.4
221.11775	100.0
222.12029	5.3
388.23038	1.6
401.10748	3.2
401.18460	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	401.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26754	6.1
59.01234	21.4
62.04938	5.3
64.02190	5.6
71.01238	17.1
71.38888	11.5
85.02809	7.6
87.78277	5.7
101.02319	9.1
108.89799	7.5
121.02832	100.0
135.04437	9.2
145.06467	6.6
161.02287	7.7
181.06491	8.2
191.05598	7.8
199.13329	12.0
269.10110	11.1
275.03934	5.2
284.12051	7.5
303.02744	18.1
305.51978	6.8
313.07101	25.6
329.17282	6.7
343.05951	6.5
357.05817	11.2
366.02258	6.2
401.08755	21.7
401.23114	32.4
409.11441	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	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.6
60.39678	1.9
68.73457	1.7
69.42627	9.4
69.43045	6.5
71.01239	4.2
71.04914	1.7
71.67905	1.6
80.04937	2.3
89.02297	3.0
93.03298	1.8
98.20513	3.7
101.02344	2.4
120.04425	2.1
122.05997	7.1
130.02873	2.4
132.04440	18.3
135.04454	2.6
146.06000	1.8
147.03185	4.9
150.05466	3.2
153.12776	2.2
158.02371	8.3
160.03920	13.3
161.04640	2.7
162.05545	3.1
163.60455	1.5
164.76155	1.7
174.05495	3.1
176.03395	12.1
176.07086	2.9
179.10718	2.0
184.07555	2.8
187.07584	4.7
190.05037	22.8
191.05556	6.1
197.11853	3.7
198.04224	2.0
198.09268	2.0
199.35030	2.0
209.07228	1.7
211.12306	5.7
212.05891	4.2
212.10797	3.7
213.10492	2.0
215.11812	5.2
220.02391	2.0
223.08778	6.4
224.09473	16.5
226.07501	3.4
227.08211	6.5
228.08589	2.2
239.08081	5.3
239.11826	33.4
240.10193	6.8
241.09727	11.0
250.07335	2.5
252.05455	2.9
253.06133	31.9
254.06682	4.0
255.07570	3.1
255.11511	9.1
256.08295	2.5
257.08054	3.5
265.09799	4.3
266.08160	2.4
267.07764	8.5
268.08527	14.9
281.09341	10.7
283.10846	77.4
284.11270	4.4
309.08804	27.9
310.08987	2.5
315.13589	3.4
327.09833	85.8
328.10092	9.3
341.11359	3.3
353.07684	3.0
359.12283	3.5
360.12759	2.2
371.08813	100.0
372.09213	9.9
403.11435	42.0
403.19080	3.7
404.11801	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	403.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65619	1.1
56.71479	1.1
59.01251	29.0
65.18961	1.0
67.01764	2.3
69.03313	5.6
71.01260	17.3
71.04900	2.9
71.59528	1.9
72.99161	1.2
73.02820	20.7
74.98970	1.6
75.03961	1.2
80.04941	3.2
80.12744	1.1
83.01256	1.4
83.04900	1.8
85.02828	10.2
87.00758	4.6
87.04420	1.4
89.02304	8.3
93.03320	6.8
97.02851	1.7
99.00749	1.6
99.04448	1.5
101.02308	10.1
108.04446	1.5
109.02820	1.4
111.00800	1.4
111.04410	2.2
111.08114	1.1
113.02320	5.8
116.04948	1.2
119.03397	4.1
120.99577	1.5
121.02860	2.7
122.06007	8.4
123.08054	3.4
124.01563	1.2
124.07570	1.6
130.02879	2.1
131.03526	1.4
132.04442	20.6
133.02844	3.8
133.04747	1.4
134.03665	3.1
134.06013	3.0
135.04425	4.7
137.02370	2.0
146.02345	1.2
146.06029	1.5
147.03163	4.4
148.03934	2.7
150.05505	4.5
151.00288	1.1
153.12772	2.2
158.02354	7.5
159.04413	2.1
160.03934	9.7
161.04550	4.5
162.05495	5.7
167.07092	3.4
172.05215	3.9
173.04482	4.6
173.05939	2.0
174.05409	1.7
175.02632	1.5
176.03436	12.7
176.07092	1.7
177.01923	1.6
178.02657	3.5
179.03372	2.2
179.05516	1.8
179.10736	2.7
180.08136	1.4
181.04932	1.1
183.09259	1.6
184.07716	2.6
185.00891	2.2
187.07556	20.5
190.05023	18.1
191.05551	18.8
192.05957	1.3
196.07611	1.3
196.11278	2.4
197.04642	1.1
197.11725	12.8
198.12067	1.1
199.08812	1.5
203.10655	2.1
204.02881	2.0
209.07210	2.8
209.31035	1.0
210.05431	1.5
211.06503	1.1
211.08702	1.1
211.12346	5.9
212.05823	2.6
212.10722	3.8
213.06526	1.4
213.09093	7.3
215.07024	7.8
215.11813	5.2
220.02386	1.6
221.02937	1.1
223.08565	5.2
223.13403	2.5
224.07320	2.0
224.09431	12.7
225.06230	1.4
225.07967	3.5
226.07446	4.0
227.08211	7.3
231.06604	6.6
231.10208	8.6
234.03918	1.9
238.08807	2.1
239.04558	2.8
239.08177	4.9
239.11839	29.3
240.10573	6.4
240.12419	2.5
241.10600	18.1
241.13380	1.5
241.14510	4.1
242.10844	1.2
243.11462	1.4
250.07442	2.8
252.05453	2.2
253.06133	26.2
253.09930	2.6
254.06625	3.2
255.07687	6.1
255.11349	8.8
257.08148	9.2
265.09842	4.7
267.07703	6.6
268.08493	9.1
269.09122	1.4
275.09235	11.0
281.09399	7.7
282.09592	1.8
283.10855	71.7
284.11313	5.8
297.05225	1.7
306.07370	8.1
309.08801	21.3
310.09070	3.2
315.13281	1.6
327.09845	93.8
328.10190	8.6
341.11426	3.3
353.07883	4.3
359.12390	6.3
361.22354	1.3
371.08798	100.0
372.09048	11.3
393.62073	2.1
403.11484	55.2
403.19714	43.0
404.11646	6.8
404.20038	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	403.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.0
61.98692	3.8
66.27148	1.3
69.03302	2.7
70.57767	4.5
71.01251	9.9
73.02821	2.7
83.01276	1.4
85.02806	3.4
87.00750	2.0
89.02315	4.3
93.03321	2.5
95.04921	1.8
101.02290	5.2
102.98415	1.6
108.04422	1.8
111.98737	1.3
112.84296	1.2
113.02326	3.5
122.06029	10.6
130.02846	3.1
131.03639	1.8
132.04443	21.7
133.02791	4.9
134.05981	1.5
135.04388	1.9
137.02319	2.9
143.31097	1.4
146.02394	1.9
147.03139	4.3
150.05550	3.5
158.02336	8.9
160.03918	12.7
161.04570	3.4
162.05481	4.8
164.07036	1.5
172.11179	1.8
173.04398	1.5
174.05460	2.1
176.03404	12.0
176.07033	3.6
177.01814	2.2
178.02669	3.4
179.03386	1.6
184.07541	2.5
187.07454	3.0
190.05002	24.0
191.05478	8.7
192.06593	1.9
209.07095	2.5
211.12346	5.1
211.18604	1.5
212.05721	2.2
212.10811	2.3
213.10292	1.3
215.11827	6.5
220.02304	3.5
223.08679	5.9
224.07408	2.2
224.09453	16.0
225.06357	2.0
225.08102	2.0
225.09892	2.7
226.07417	4.2
227.08243	7.0
231.10173	1.5
234.03963	3.2
239.04930	1.5
239.08199	4.8
239.11821	34.0
240.10448	7.3
240.12296	1.8
241.09769	12.8
250.07387	2.9
252.05560	1.9
253.06123	28.9
254.06548	4.0
255.07686	4.5
255.11455	8.4
256.08405	1.9
265.09802	4.2
267.07755	10.6
268.08542	11.2
275.09140	4.0
281.09329	8.2
283.10846	77.4
284.11148	5.5
306.07315	7.9
309.08777	20.5
310.09302	1.9
315.13293	1.8
327.09830	100.0
328.10162	9.7
341.11130	3.2
353.07767	5.9
359.12369	4.3
361.22220	3.1
371.08795	71.5
372.09140	8.2
399.60037	1.8
403.11377	49.4
403.19012	13.1
403.23935	1.9
404.11752	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	403.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34202	3.3
59.01249	71.2
61.54133	3.8
67.01773	8.3
67.75987	3.6
68.99690	7.0
69.03320	28.1
69.49785	29.5
71.01250	42.1
72.99170	3.4
85.45760	3.4
87.00719	4.9
89.02316	68.8
95.01302	4.9
95.04905	37.4
99.04430	3.8
101.02319	47.0
108.20983	4.0
111.00749	13.5
113.02320	22.0
116.59807	3.6
119.03383	29.6
119.45616	3.5
121.02831	100.0
121.35452	3.4
122.03048	3.9
122.15199	3.2
123.04392	26.9
124.07980	4.0
127.03936	7.0
139.00243	16.5
139.03951	5.4
140.39879	4.3
143.03403	5.9
147.04378	4.9
161.04448	5.2
165.05493	39.9
168.05739	3.4
170.95087	3.6
179.05472	17.0
179.07068	12.4
181.05048	4.9
188.77878	4.1
191.03369	5.0
223.06068	20.5
251.14499	4.0
312.74042	4.0
357.23361	3.4
371.09827	48.0
372.10007	6.0
403.12552	4.8
421.15955	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	403.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23951	1.8
58.00462	4.3
59.01249	100.0
67.01764	5.6
68.99691	15.8
69.03320	17.5
69.43385	18.1
71.01246	61.8
72.99185	4.7
73.02810	5.6
81.03345	2.8
83.01259	2.4
84.11098	2.0
85.02822	19.0
87.00747	5.0
89.01748	3.3
89.02310	67.5
90.02608	2.1
93.03342	11.9
95.01247	12.1
95.04889	21.7
97.02831	6.3
98.19728	3.6
99.00746	2.9
99.04417	3.2
101.02322	53.7
109.02840	3.8
111.00726	14.7
113.02325	22.7
117.01831	4.1
119.03374	21.4
119.04916	5.5
121.02836	60.1
121.06462	3.1
123.04406	25.5
127.03905	8.5
131.03314	2.1
132.04448	2.7
135.04466	3.8
137.02327	10.4
137.05978	4.6
137.09613	2.3
138.02660	5.8
139.00267	9.4
139.02852	3.8
139.03867	4.4
143.03380	4.8
144.99648	2.2
147.04393	8.6
149.02377	5.5
155.03415	11.9
158.47321	2.1
161.04442	2.6
161.97667	2.3
163.03905	3.1
165.05455	17.0
177.05515	2.1
179.03442	11.4
179.05504	9.7
179.07024	8.8
181.04918	3.2
186.18387	2.4
187.07579	7.0
189.09087	2.2
191.03403	3.4
191.05470	2.8
193.05003	2.2
205.04854	2.4
215.07126	2.7
220.06068	3.4
221.04468	6.2
222.04758	4.3
223.06343	10.5
231.10191	11.6
241.07104	5.1
241.10742	6.2
253.06117	2.7
257.08273	2.6
275.09210	13.6
283.10892	8.1
309.08911	2.7
327.09927	16.9
333.08313	3.8
343.11716	3.1
371.09515	20.9
403.11871	9.7
403.13580	9.3
403.19556	41.8
403.24466	3.6
404.19995	2.2
410.76587	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	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05331	2.2
54.51699	2.1
57.03324	2.9
58.02848	3.2
59.01247	90.9
67.01744	7.3
68.99687	11.5
69.03326	47.9
69.53261	8.0
69.53684	10.4
71.01252	63.3
72.99166	6.0
73.02814	10.2
74.02338	7.2
75.00728	2.8
80.22079	2.7
83.01247	5.2
85.02827	16.8
87.00775	3.5
87.35026	2.4
89.02314	65.2
90.98457	9.3
93.03341	4.6
95.01254	5.3
95.04899	35.2
97.02812	5.2
99.00771	9.0
99.05515	6.2
101.01684	4.1
101.02313	55.2
102.05484	5.4
111.00771	22.6
113.02335	20.8
119.03397	26.1
119.04894	5.0
121.02842	100.0
121.06464	5.2
122.03163	3.8
123.00772	2.7
123.04399	26.4
127.03887	10.8
128.03424	17.1
131.03426	4.9
137.06017	4.4
139.00266	20.6
143.03439	4.6
143.04501	27.3
143.07027	2.9
146.04465	3.5
147.04414	5.9
149.02354	3.3
149.05975	6.6
153.01868	5.8
160.00655	5.6
161.04456	8.1
165.05481	28.5
166.05873	4.7
179.05521	13.4
179.07088	6.6
179.10698	3.3
181.04926	8.9
183.62216	2.3
185.00917	13.0
191.03401	2.6
191.05498	4.3
197.11711	10.4
209.04530	3.2
210.08804	5.1
223.06042	14.1
223.13524	2.5
240.05754	2.6
241.07251	2.8
241.10634	13.1
241.14310	3.0
253.04587	3.4
254.07750	6.9
261.20264	2.5
272.08862	9.3
289.64899	2.4
306.07629	37.2
371.09882	29.7
386.17404	2.8
403.11328	7.8
403.15945	4.2
421.55249	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	403.1607
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01748	1.5
57.03315	4.8
58.00465	1.9
59.01247	54.6
60.01600	1.5
67.01755	2.9
68.99684	4.9
69.03320	15.5
71.01250	25.1
71.58750	2.4
72.99167	2.3
73.02813	55.9
75.00763	1.6
83.01251	3.0
83.04893	5.7
85.02816	9.6
87.00751	2.8
87.04397	2.4
89.02314	26.0
93.03343	2.8
93.59494	1.2
95.01279	3.9
95.04913	5.6
97.02823	4.2
99.00759	3.6
99.04387	2.3
101.02312	22.6
107.04895	1.3
111.00786	6.2
111.04383	1.9
113.02345	10.9
117.01863	1.5
119.03381	6.9
119.04875	1.5
119.08549	2.7
121.02838	21.3
121.06501	3.1
122.03353	1.6
123.04422	8.9
123.08026	4.2
127.03889	4.1
135.04413	2.9
135.08098	1.8
137.09595	9.6
139.00258	3.6
139.03902	1.8
141.01796	1.7
143.03419	1.9
143.07094	1.3
147.04471	2.5
149.05962	1.8
155.03394	4.7
159.04498	1.2
161.04492	3.6
161.09624	2.0
163.07594	2.6
165.04300	1.4
165.05481	7.9
167.07031	3.4
173.04550	1.4
179.03384	2.8
179.05516	3.3
179.07025	2.1
179.10716	10.0
181.05113	1.8
181.08607	57.7
182.08968	3.7
185.00836	4.3
187.07544	4.7
191.03543	2.1
191.05548	4.8
197.11745	19.3
198.12230	1.3
213.09135	1.4
215.07014	2.3
220.06104	2.1
223.05965	5.6
223.09673	12.7
231.06592	1.4
231.10243	5.0
241.06888	2.7
241.10771	100.0
242.11026	6.2
265.10410	1.5
275.09250	5.2
283.11871	2.0
309.08960	1.6
322.80405	1.4
327.09961	2.4
368.44077	1.8
371.09723	5.2
403.11496	3.4
403.16028	6.0
403.19885	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	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	0.5
61.98701	100.0
69.82794	2.1
71.01262	0.6
100.26608	0.3
101.02340	0.6
108.26970	0.4
111.01897	0.4
191.05505	2.1
206.02274	0.4
207.02968	0.5
215.09612	0.4
224.52585	0.4
255.03145	0.4
275.87964	0.4
362.75122	0.4
405.09671	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	404.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	11.7
59.01252	13.3
71.01251	12.7
71.58036	2.8
71.58413	2.4
72.00774	1.9
72.99186	6.8
74.02348	22.7
79.25246	1.9
85.02850	4.3
86.02347	8.2
87.05515	7.1
89.02325	5.6
90.00081	2.5
93.03325	2.8
96.93591	2.0
97.03957	3.6
99.05515	19.2
101.02330	5.8
102.05492	5.1
112.03931	3.0
113.02325	4.1
116.01656	2.6
119.03384	3.9
125.03515	2.3
127.05027	4.1
128.03416	56.7
135.05524	4.2
137.07193	2.1
141.06618	5.2
143.04520	72.1
145.06033	2.9
146.04468	7.6
153.06615	4.7
160.00638	23.5
161.04413	3.4
166.09772	4.4
167.04550	5.8
167.08234	2.0
171.07643	2.4
177.03308	8.3
179.04520	14.2
181.04820	2.9
181.06204	3.0
185.05592	2.6
191.05542	4.6
192.07687	2.0
197.05554	3.1
210.08777	15.9
242.07912	3.4
254.07758	22.6
272.08844	38.0
273.09348	2.6
284.11276	2.7
288.06506	13.0
306.07645	100.0
307.07907	5.1
405.05530	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	405.1035
Annotation	Strictoloside
Peak:m/z	Relative Intensity
51.71919	2.1
57.03313	7.0
58.00459	2.7
58.00851	2.2
58.02848	2.7
58.64357	2.0
59.01251	78.6
59.21756	1.8
68.99679	2.6
69.03325	15.8
70.87811	3.9
71.01252	46.0
72.99159	9.6
74.02332	6.1
75.00735	5.2
81.03329	4.8
83.01254	4.5
83.04871	3.8
85.02814	18.2
87.00733	9.3
89.02319	42.4
93.03329	23.9
95.01246	5.9
95.04874	5.3
97.02818	19.5
97.06462	3.3
99.00755	2.7
99.05513	5.1
101.01791	2.3
101.02331	26.7
103.00246	4.2
107.04903	13.3
108.02039	3.2
109.02812	9.7
109.06446	2.2
111.04393	3.0
113.02325	30.1
119.03386	24.2
119.04875	12.0
121.02823	9.5
123.04410	18.0
125.02300	3.7
125.05946	9.5
127.03974	2.3
128.03433	15.3
128.76611	2.4
129.01791	5.5
131.03372	2.3
135.04379	9.6
135.96390	2.1
136.01529	2.8
137.02347	19.2
137.05960	9.3
139.03929	2.5
143.03435	4.0
143.04475	21.0
144.04871	2.1
146.04506	2.5
147.04373	4.2
149.09569	5.2
151.03954	16.4
153.01874	4.7
153.05435	4.9
160.00764	2.9
161.04453	6.2
163.03915	10.5
165.05421	3.6
167.10637	9.0
168.04143	4.1
179.03355	26.3
179.05495	7.2
181.05008	21.2
183.06526	8.4
197.04468	4.0
199.06000	7.2
207.02986	2.8
210.08745	4.4
218.13196	2.4
223.65744	2.1
225.03954	17.6
243.05049	30.0
245.06618	3.8
254.07668	11.8
272.08902	13.0
273.09198	3.4
306.07675	4.9
307.07999	12.3
308.07230	2.8
320.36420	2.1
359.09988	3.1
405.10260	100.0
406.10666	8.3
406.16498	9.4
423.04443	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	405.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	11.4
69.03311	1.2
71.01248	6.2
71.07947	3.2
73.02807	1.6
85.02832	2.6
87.00735	3.8
89.02321	4.4
93.03339	2.6
101.02332	5.4
108.02025	1.6
113.02320	3.4
119.03358	1.1
122.05959	1.2
123.04371	2.6
124.73247	1.0
133.02818	1.1
135.04398	1.1
142.63963	1.0
143.04478	1.7
151.03937	2.2
155.03459	1.1
161.04660	1.2
164.07019	1.8
177.03337	2.8
179.03397	3.6
179.15057	1.1
191.05415	1.9
195.06877	1.6
195.84302	1.0
227.05858	1.2
238.07320	2.3
239.08133	1.2
240.05223	1.0
240.10457	1.4
241.07457	1.6
243.12138	1.1
251.08217	1.1
253.09737	1.9
255.07809	2.8
255.11313	1.7
256.06097	1.7
256.09811	1.8
257.06750	1.3
258.06531	1.4
263.08246	1.9
265.09805	4.1
266.06958	4.5
267.07715	13.1
267.11307	4.4
268.09845	1.3
273.08545	1.5
277.06223	1.1
278.06998	1.8
279.07715	2.3
281.09293	31.3
282.09714	2.2
283.07504	1.6
283.10638	5.2
285.12421	8.3
286.10803	2.4
293.09296	14.7
295.07236	9.7
296.07971	13.2
297.08588	1.6
309.08948	1.5
311.10358	100.0
312.10718	6.0
315.08524	1.0
329.11432	25.3
330.11694	2.2
356.53235	1.1
373.10513	5.5
405.12509	3.9
405.21500	13.5
406.21780	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	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
59.94421	16.0
60.37551	17.1
69.22852	15.5
70.99805	46.8
71.01247	43.9
75.00772	18.1
83.04861	15.6
87.73003	14.8
89.02313	31.4
93.03343	23.5
96.94532	14.9
111.04378	15.2
116.04897	18.2
124.06704	17.4
135.04477	21.2
143.03006	16.4
166.02776	15.7
191.05533	22.9
266.80984	17.5
311.10278	26.7
329.10428	45.0
373.09375	51.8
405.12131	23.8
405.16718	53.1
405.20923	36.9
405.25406	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	405.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.2
57.03330	2.6
58.00456	0.9
59.01247	23.7
63.25458	0.4
67.42780	0.4
68.99671	0.9
69.03311	1.3
71.01248	10.2
71.04890	1.2
71.87856	0.4
72.99161	1.2
73.02814	62.5
74.03150	0.5
75.00713	0.4
83.01250	1.7
85.02818	3.6
87.00750	1.9
87.04383	1.3
89.02313	7.8
93.03326	4.2
93.54694	0.4
94.03674	0.5
94.99621	0.4
95.01247	0.6
95.04892	1.2
97.02831	0.8
97.06475	1.1
101.02326	7.4
107.04888	1.2
108.02068	0.6
109.02850	0.5
111.04443	0.5
113.02325	4.8
119.03374	2.6
121.02859	0.7
123.04401	4.7
123.16560	0.5
125.02405	0.5
125.05958	1.6
125.09605	13.7
126.09904	0.5
127.03891	0.6
133.02806	0.8
135.04367	0.8
139.11183	1.3
141.05447	1.7
151.03918	2.9
153.05437	0.7
153.53886	0.5
161.04388	0.5
169.08629	6.9
176.03850	0.7
179.03418	4.4
181.12248	8.6
183.10205	2.9
191.05516	0.8
195.06596	0.6
195.13686	0.5
199.13330	10.7
200.13678	0.7
223.13387	0.8
225.11290	7.4
226.11586	0.6
231.10240	0.5
243.12334	100.0
244.12665	6.0
257.08374	0.5
267.07703	0.9
267.12296	1.6
281.09311	2.1
285.13467	3.2
293.09256	1.0
295.07312	1.0
296.07913	1.0
311.10318	7.5
312.10480	1.0
329.11472	2.4
330.07428	0.5
345.15604	0.8
373.10443	0.7
405.10635	4.0
405.17270	7.3
406.17615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79703	0.4
55.01759	1.1
55.59348	0.4
57.03306	1.1
58.00464	0.6
59.01249	31.0
69.03325	0.6
69.29929	1.9
69.30357	2.6
71.01252	5.9
71.04883	1.0
72.99182	0.8
73.02815	61.4
74.03162	0.9
81.03367	0.4
83.01266	0.9
85.02814	3.0
87.00758	1.0
87.04401	3.0
89.02309	5.3
93.03315	0.9
95.01266	1.0
97.02821	1.2
97.06468	0.5
101.02324	3.8
113.02315	3.9
115.03907	0.8
116.04972	0.8
117.01810	0.6
119.03356	0.8
125.09609	12.6
135.04436	0.6
139.11186	6.3
143.03381	0.5
161.04430	0.6
163.11145	0.5
165.09135	0.6
169.08600	6.5
170.08914	0.5
181.12245	10.7
182.12572	0.6
183.10173	12.8
187.09790	0.5
191.05528	1.4
199.13326	13.0
200.13731	0.9
223.13403	0.5
225.11279	5.8
243.12337	100.0
244.12700	6.8
256.06122	0.7
267.12189	1.6
281.09235	1.8
285.13422	3.3
293.09103	0.9
295.07016	0.7
296.08032	0.7
311.10260	3.9
312.10410	0.6
315.14252	0.6
329.11395	1.3
345.15787	0.6
388.17044	0.4
405.12198	1.1
405.17477	4.0
406.18149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24652	1.1
57.03313	2.9
57.89312	1.1
58.00433	1.1
59.01249	100.0
66.57979	1.1
68.99643	1.4
69.03320	4.8
69.26085	2.0
69.26492	9.4
71.01250	20.5
72.68173	1.0
72.99175	1.6
73.02816	8.0
80.56526	0.9
81.39464	1.0
85.02807	5.2
87.00736	8.4
89.02312	14.2
93.03332	4.9
95.01252	2.8
97.06467	6.3
99.00765	1.2
101.02325	12.7
107.04928	2.0
108.02016	1.5
109.02843	1.3
113.02319	7.0
113.05911	1.5
117.01707	1.0
119.03416	5.9
123.04433	5.7
125.05974	9.9
125.09486	1.3
135.04393	3.0
139.11180	6.3
141.05444	1.6
143.04514	2.0
151.03908	3.9
160.03943	2.0
161.04420	1.3
163.11145	3.4
165.09103	2.2
177.03320	3.0
177.63527	1.1
179.03409	7.6
179.05472	1.5
179.10703	1.5
181.12222	10.8
183.10172	40.4
184.10529	1.8
191.05341	1.6
199.13257	1.4
212.07050	1.2
225.09509	0.9
225.11266	24.0
226.11598	1.5
228.06450	1.4
243.12405	17.9
254.10690	1.2
256.06015	2.1
267.07645	1.6
267.11673	1.0
268.09918	1.9
281.06039	2.2
281.09293	9.3
283.10907	1.8
285.12494	6.1
293.09232	2.8
295.07217	3.1
296.07932	4.5
311.10376	31.2
312.10696	3.4
329.11407	18.0
373.10187	2.3
387.16489	1.2
405.12234	3.7
405.17532	16.5
405.25623	2.1
406.12839	1.2
406.18018	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	405.2129
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01762	1.7
57.03325	3.7
58.00486	1.0
59.00945	1.6
59.01250	32.5
64.35698	0.8
69.47736	5.8
71.01247	19.1
71.04874	2.1
72.99187	1.8
73.02804	5.1
75.00746	0.8
83.01250	3.1
83.04883	0.7
85.02814	8.8
87.00735	2.0
87.04407	2.4
89.02323	7.0
91.01778	2.0
93.03321	2.5
95.01237	1.5
98.19739	1.5
99.00761	2.0
101.02312	10.6
101.05982	1.9
108.02052	1.8
113.02327	5.8
119.03366	2.9
122.48891	0.8
129.01756	0.9
135.00758	2.4
137.02367	1.9
145.33984	0.7
146.88414	0.7
152.01013	1.6
153.01875	0.9
157.08618	1.0
161.04428	1.0
186.11115	0.7
187.07567	0.9
191.05499	3.2
196.19136	0.7
197.11743	2.1
197.15393	2.4
199.07466	1.4
225.14883	7.8
229.08730	0.8
243.06563	8.0
243.15976	26.1
244.16335	1.5
245.08110	2.5
261.01822	0.8
297.06229	0.9
303.08820	2.0
317.49579	0.8
345.22729	1.4
377.12280	1.1
387.20178	2.5
387.27487	2.0
405.11987	3.7
405.21237	100.0
406.21588	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	405.2128
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01763	2.1
57.03332	2.4
58.00458	1.4
59.01249	47.7
67.01763	0.6
68.99686	0.5
69.03319	0.7
71.01250	27.6
71.58699	0.7
72.98515	0.3
72.99184	2.8
73.02813	4.6
74.98975	0.5
75.00737	1.1
75.27495	0.4
78.95771	1.3
81.03359	0.4
83.01247	3.2
83.04918	0.6
84.02047	0.4
84.36671	0.3
85.02821	11.4
85.06457	2.4
86.82279	0.3
87.00749	2.7
89.02309	14.9
93.03326	1.2
95.01254	2.8
96.95872	0.5
97.06474	1.2
99.00758	4.0
101.02315	16.9
109.02766	0.4
111.00761	1.3
111.04347	0.5
113.02327	10.9
113.09615	0.6
119.03384	5.6
119.04865	0.8
120.99512	1.0
121.02837	1.0
121.62908	0.4
125.02294	0.7
129.01837	0.9
133.02818	1.1
135.04440	1.1
137.02342	0.6
139.00298	0.6
141.09105	24.3
142.09377	0.5
143.03397	0.9
147.04405	0.4
147.06523	1.8
150.03113	0.6
155.14302	5.4
159.03021	0.8
159.04361	0.6
161.02324	1.0
161.04486	2.7
161.05742	0.6
162.03145	0.5
163.03975	0.7
173.04475	0.9
173.05942	0.5
175.03889	0.7
178.02527	0.6
179.03186	0.6
179.05524	0.9
181.12259	0.7
181.15916	3.5
187.03848	0.4
187.07599	1.9
191.03729	0.7
191.05568	3.0
199.13324	15.6
200.13759	0.9
205.06920	0.5
215.07127	0.7
219.02954	0.4
225.14879	6.5
225.17097	0.5
227.07051	0.4
229.08698	0.4
231.10391	0.6
243.16003	0.5
257.08328	1.2
263.05441	0.8
263.07794	1.1
272.06842	0.6
275.09357	1.4
308.05136	0.6
308.08200	1.1
345.19171	5.7
346.19516	0.7
346.64590	0.5
387.20349	0.5
405.21347	100.0
406.21735	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	405.2126
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01746	1.2
57.03320	1.8
58.00451	2.5
59.01247	76.9
61.98695	1.2
69.03299	1.0
71.01249	60.6
71.58916	1.8
72.99168	4.9
73.02811	3.8
74.98951	1.1
75.00756	1.2
76.98547	1.1
78.95770	3.9
79.95613	1.0
83.01252	3.1
85.02821	10.5
87.00744	2.4
89.02312	38.8
90.98457	3.4
93.03313	1.5
95.01242	1.9
96.95860	1.5
97.06448	2.0
99.00742	1.3
101.01688	1.6
101.02318	24.3
104.04957	2.7
108.02000	1.2
109.02791	1.1
113.02332	14.8
119.03376	15.9
120.99544	9.3
121.02820	0.9
127.11142	1.2
129.01788	2.2
131.03452	1.1
133.02817	2.8
134.03548	1.5
134.05978	2.1
135.04350	1.4
137.02370	1.2
139.11205	1.2
141.09108	2.6
143.03401	2.9
146.06056	0.9
147.02866	1.4
147.06485	0.9
149.04387	1.0
153.12767	4.6
159.04308	1.4
161.02367	2.0
161.04431	2.5
163.03822	0.9
164.07059	2.5
171.04230	0.9
173.04495	1.9
175.03981	1.0
178.02524	0.9
179.03207	1.5
179.05505	4.5
187.07431	1.2
191.03482	1.3
191.05540	5.0
193.04977	1.0
197.07213	5.0
198.07845	3.5
199.13342	5.5
201.06712	1.8
209.10779	5.1
211.05066	1.6
212.09485	1.1
213.10159	1.5
225.06812	1.2
225.14900	2.0
226.07356	2.0
227.08174	0.9
227.11845	11.5
228.12225	1.7
231.10138	1.7
232.07433	1.6
233.08173	1.8
237.10329	1.3
238.07503	1.1
240.08812	0.9
255.11378	18.9
256.08331	1.3
256.11420	1.3
257.08218	1.8
257.12875	2.1
261.79691	1.1
263.05576	1.5
267.11264	2.8
272.06873	1.1
275.09216	1.9
285.12433	62.8
286.12787	3.5
307.07700	1.2
308.05209	3.4
308.08102	2.3
311.10477	2.1
313.11768	1.7
317.14960	17.4
329.11386	17.5
330.11768	1.6
345.19159	2.6
361.13983	2.9
387.19873	1.5
387.27554	1.9
405.13004	4.9
405.21216	100.0
405.29352	2.5
406.21588	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	405.2128
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01746	1.3
57.03330	2.1
58.00459	0.9
59.01251	20.7
69.35069	1.2
69.35500	2.3
71.01251	16.8
72.99169	1.5
73.02819	3.9
75.00760	0.4
83.01247	2.1
85.02819	4.7
87.00749	1.1
87.04384	2.2
89.01808	0.7
89.02317	7.5
89.25689	0.4
90.67295	0.4
93.03336	2.1
95.01254	1.3
99.00748	1.0
101.02328	10.1
101.05917	1.1
112.97398	0.4
113.02332	5.3
113.04665	0.3
119.03384	3.0
125.09629	0.7
129.01784	0.4
132.78716	0.3
137.02419	0.3
139.11169	1.2
143.03322	0.4
153.12709	0.8
153.56616	0.4
161.04453	1.3
166.27299	0.4
170.50073	0.3
179.05531	0.6
179.14198	0.4
191.05528	0.8
197.15402	1.6
199.07597	0.6
207.13971	0.4
209.11874	0.4
225.14879	5.9
235.08176	1.0
243.06572	0.6
243.15979	21.3
244.16351	1.2
245.08223	0.9
250.22971	0.4
308.13751	0.4
387.20322	2.1
387.27582	0.5
405.12198	2.4
405.21262	100.0
406.21631	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	405.2125
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
57.03326	12.1
58.00467	4.4
58.81938	1.4
59.01247	81.2
63.83668	1.6
68.99683	5.1
69.03330	2.7
71.01251	67.0
72.99178	6.1
73.02826	5.1
77.83809	1.8
83.01231	2.1
83.04895	3.9
85.02807	12.7
87.00757	6.7
89.02312	100.0
95.01252	6.2
97.02827	3.0
99.00772	2.3
101.02316	58.7
110.61060	1.8
111.08057	1.8
113.02328	31.7
115.03865	1.5
119.03382	44.1
122.03683	1.5
123.04426	2.4
125.11745	1.6
127.03867	4.3
131.03395	4.4
133.71204	1.6
134.07274	2.9
137.09593	3.1
141.05481	7.9
143.03366	7.6
149.04488	3.3
149.09615	31.4
153.09180	2.4
155.03378	10.3
159.02951	1.8
161.04468	14.5
167.10684	69.4
168.10953	2.8
171.10144	3.0
179.05539	18.4
181.05016	3.3
207.13818	10.7
211.05951	1.7
225.14920	15.0
229.46071	2.2
243.08696	6.4
243.15932	11.8
387.20166	6.3
405.13571	2.9
405.21478	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	405.2126
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01737	2.4
57.03300	1.8
58.00455	1.0
59.01249	31.0
69.03323	4.0
71.01249	23.1
71.04919	0.6
71.59000	0.7
72.01595	0.8
72.99161	4.0
73.02820	5.0
75.00739	0.9
83.01259	2.7
83.04871	0.5
85.02335	0.8
85.02818	9.6
85.06453	2.6
87.00732	2.2
88.68062	0.5
89.02313	13.0
93.03334	0.8
95.01259	3.1
97.02802	1.6
97.06476	1.3
99.00757	5.7
101.01690	1.0
101.02319	16.6
113.02318	7.7
119.03397	5.8
119.04872	0.5
119.65603	0.5
120.99510	0.5
121.02824	0.8
129.01778	1.8
131.03305	0.5
133.02837	2.0
134.03592	0.8
135.04364	0.7
137.02303	0.9
147.04436	0.7
149.02307	1.2
153.12828	0.7
155.10599	0.6
155.14342	6.8
161.02295	1.3
161.04405	1.4
163.03909	0.6
173.04373	0.6
175.03841	1.2
178.02568	1.1
179.05495	1.1
181.12216	0.8
181.15913	3.8
185.00797	1.2
187.07687	0.6
191.05515	2.1
193.05014	1.0
199.13309	16.4
200.13620	0.7
203.03445	0.8
204.04231	0.8
225.14854	3.3
231.45499	0.5
232.07411	0.8
233.08112	2.0
243.19519	1.9
263.05475	1.4
275.02600	0.5
275.09106	1.8
307.07693	0.7
308.05264	2.2
308.08041	1.8
387.19928	1.3
400.86832	0.5
405.21130	100.0
406.21362	8.2
406.25394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01756	1.4
57.03323	12.4
58.00463	4.3
59.01248	100.0
66.04434	1.2
69.36389	6.4
69.36813	5.9
71.01252	83.7
72.99178	8.1
73.02820	5.0
74.98963	2.1
75.00742	1.9
81.03329	1.7
82.04531	1.2
83.01263	2.5
84.71548	1.3
85.02821	15.6
86.03186	1.5
87.00756	7.7
89.02315	87.1
93.03323	1.7
95.01257	4.7
96.83136	1.2
97.02791	1.3
99.00745	1.8
101.02319	41.9
112.05197	1.6
113.02318	32.1
113.91099	1.2
115.07543	1.8
119.03384	39.2
125.02371	1.4
125.09597	12.2
128.03438	2.4
131.03384	3.7
134.07262	3.0
137.09668	2.1
143.03406	7.5
143.04396	2.0
143.66899	1.2
149.04466	2.9
149.09615	33.9
155.03445	1.8
155.07088	1.4
161.04431	8.0
163.11215	2.1
167.10687	60.7
168.11005	3.8
179.05582	12.2
182.93527	1.3
191.05505	4.7
207.10130	1.7
207.13895	2.8
213.01820	1.4
225.05382	1.5
225.14957	12.9
231.03041	2.2
243.15971	7.1
271.10983	1.5
324.98145	1.4
329.11389	2.1
338.21722	1.5
345.75317	1.5
363.16696	1.9
387.16400	2.6
405.08307	1.5
405.16904	15.0
405.21454	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	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01757	1.7
57.03036	0.8
57.03321	16.2
58.00462	4.9
59.01248	92.6
59.98413	0.4
60.01574	1.0
68.99685	1.0
69.03313	1.0
70.98250	0.7
71.01250	82.3
72.01587	1.2
72.99176	7.1
73.02814	4.4
73.72760	0.4
75.00746	0.5
81.03319	0.7
83.01260	3.4
83.04891	1.8
85.02818	17.3
87.00740	4.4
87.04392	0.9
89.02312	90.6
90.02663	1.2
93.03279	0.5
94.04110	0.5
95.01269	5.1
95.04887	0.8
97.02826	0.6
97.06482	1.4
99.00751	1.4
101.02318	44.4
102.02679	0.7
109.06506	0.5
110.26865	0.4
112.05180	2.7
113.02326	34.3
113.05956	0.5
114.02731	0.6
115.03855	0.5
119.03384	37.2
120.03737	0.8
120.05698	1.1
122.03677	0.4
125.02340	1.2
125.05943	1.3
125.09635	0.4
128.03461	0.6
131.03384	3.7
131.08571	0.8
134.07262	6.1
135.08064	4.1
137.05991	1.2
137.09612	4.0
139.07553	6.4
139.11186	1.2
143.03404	6.8
143.04443	0.7
147.07880	0.4
149.04463	2.5
149.09618	57.3
150.09964	2.4
153.09108	37.6
154.09441	1.3
156.80054	0.5
158.71738	0.5
159.02884	1.0
161.04468	11.6
161.27823	0.4
167.10680	100.0
168.11020	4.4
171.10190	1.4
179.05525	11.2
180.06052	0.5
189.93964	0.4
191.05705	0.5
207.13808	2.9
208.68839	0.4
209.11726	3.9
209.13492	0.5
225.14894	6.5
243.15967	18.9
244.16284	1.0
405.21585	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	405.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03323	12.4
58.00463	4.3
59.01248	100.0
66.04434	1.2
69.36389	6.4
69.36813	5.9
71.01252	83.7
72.99178	8.1
73.02820	5.0
74.98963	2.1
75.00742	1.9
81.03329	1.7
82.04531	1.2
83.01263	2.5
84.71548	1.3
85.02821	15.6
86.03186	1.5
87.00756	7.7
89.02315	87.1
93.03323	1.7
95.01257	4.7
96.83136	1.2
97.02791	1.3
99.00745	1.8
101.02319	41.9
112.05197	1.6
113.02318	32.1
113.91099	1.2
115.07543	1.8
119.03384	39.2
125.02371	1.4
125.09597	12.2
128.03438	2.4
131.03384	3.7
134.07262	3.0
137.09668	2.1
143.03406	7.5
143.04396	2.0
143.66899	1.2
149.04466	2.9
149.09615	33.9
155.03445	1.8
155.07088	1.4
161.04431	8.0
163.11215	2.1
167.10687	60.7
168.11005	3.8
179.05582	12.2
182.93527	1.3
191.05505	4.7
207.10130	1.7
207.13895	2.8
213.01820	1.4
225.05382	1.5
225.14957	12.9
231.03041	2.2
243.15971	7.1
271.10983	1.5
324.98145	1.4
329.11389	2.1
338.21722	1.5
345.75317	1.5
363.16696	1.9
387.16400	2.6
405.08307	1.5
405.16904	15.0
405.21454	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	405.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28005	3.4
59.01263	17.4
69.38551	2.9
69.70982	5.7
69.71394	11.1
71.01252	3.1
71.36750	2.5
72.38113	2.6
75.00739	13.9
82.76887	2.5
90.10217	2.6
90.78114	2.7
92.92673	4.3
94.92381	100.0
150.89771	2.6
151.11096	2.8
152.99445	3.3
165.12726	4.2
181.12236	4.3
209.11763	13.3
245.18961	4.1
283.08640	8.0
289.18304	3.3
291.19617	12.1
307.19067	5.2
309.20624	9.5
331.18802	13.3
367.16522	10.4
369.15805	6.2
387.25043	6.1
405.14459	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	405.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51804	10.4
59.01237	100.0
60.45451	13.7
68.41401	12.9
70.05263	55.6
71.01276	23.4
72.99175	14.4
89.02307	22.8
94.92361	28.4
96.95879	11.2
101.02340	20.1
111.27087	11.0
208.72052	12.0
249.11150	12.5
277.17523	11.6
347.18262	51.8
369.16287	14.6
405.26376	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	406.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	14.7
61.98699	87.0
62.65781	3.8
71.01257	8.1
71.19688	8.8
75.00794	3.7
78.95779	58.6
86.75790	3.4
94.84679	3.6
96.92097	13.5
96.95901	4.9
151.92601	3.2
241.00246	8.7
298.07355	100.0
308.41473	3.8
317.18683	5.7
346.13974	5.9
386.79736	3.9
406.16260	15.2
406.27304	35.5
407.17343	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	406.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	2.3
58.02843	14.3
59.01247	31.0
66.03334	2.9
70.92173	5.5
71.01244	20.4
71.25745	2.3
72.99155	5.9
73.02825	2.8
74.02344	26.9
82.02873	5.4
83.01229	2.6
85.02829	8.6
86.02351	11.1
87.00748	4.7
87.05493	2.6
89.02310	10.9
93.03307	4.1
96.95880	4.4
97.02849	4.2
97.03909	3.5
99.00748	2.6
99.05509	27.0
101.02316	10.5
101.07074	4.9
102.05465	6.8
109.02843	3.2
110.03214	2.4
112.03887	2.5
113.02330	8.8
119.03390	4.2
123.05503	4.3
125.03446	4.1
127.04992	3.6
128.03416	74.9
129.03703	2.5
133.06819	14.2
135.04506	3.2
135.05479	5.3
141.06570	3.6
143.04515	100.0
143.07036	30.2
145.06039	2.9
146.04480	10.2
153.06589	5.9
161.04433	4.8
166.09691	3.9
167.04541	5.3
167.08179	8.8
170.34157	2.8
179.04466	19.2
181.06181	3.0
191.05490	4.1
197.05695	3.1
210.08789	15.4
225.03751	2.4
246.20995	2.3
254.07785	49.9
255.08110	3.7
272.08856	50.8
273.09189	5.8
277.12140	6.7
308.07419	6.7
355.70795	2.2
388.15448	9.1
406.11191	5.4
406.16519	61.2
406.21313	3.8
407.11209	4.1
407.15894	8.5
407.19553	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	406.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24787	2.8
58.00462	2.8
58.02839	13.8
59.01249	39.5
67.93658	2.7
68.75828	2.6
69.03323	4.4
69.58137	17.5
71.01250	24.5
72.99182	4.8
73.02778	2.5
73.18474	2.7
74.02350	25.9
82.02853	4.4
85.02811	7.4
86.02348	12.4
87.00735	4.7
87.05505	10.6
89.02308	17.7
97.02815	9.6
97.03939	4.7
98.02347	4.1
98.20508	5.7
99.05508	28.9
101.02323	12.6
101.07131	3.6
102.05479	4.8
109.03928	3.6
111.04454	2.7
112.03889	4.6
113.02319	12.7
119.03399	8.4
125.03491	2.7
128.03433	80.9
133.06793	15.1
135.05521	7.0
137.07072	2.9
141.06551	3.8
143.04526	100.0
143.07011	21.3
146.04471	10.6
153.06544	6.5
161.04381	4.0
165.05321	3.2
166.09724	4.8
167.04497	4.3
167.08203	7.2
171.03986	3.0
179.04462	25.2
180.81563	2.8
185.05624	5.5
191.05559	3.4
192.07777	3.7
197.05627	7.6
210.08751	24.0
227.05545	2.9
254.07782	51.6
255.08110	4.3
272.08890	67.2
277.12115	6.0
308.07462	6.4
365.64371	2.9
388.15564	14.3
406.11349	5.7
406.16516	73.1
407.11646	10.4
407.16055	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	407.0998
Annotation	Fortuneanoside L
Peak:m/z	Relative Intensity
57.03336	1.6
59.01243	4.8
69.03345	1.3
71.01256	3.7
71.57385	0.9
72.99164	1.4
73.02822	1.0
75.00758	7.5
85.02804	1.9
87.00758	1.1
89.02332	2.6
93.03353	3.2
99.00757	1.2
101.02299	2.0
103.00261	5.5
111.00757	16.4
111.04435	1.3
112.98653	2.1
113.02312	2.3
115.00280	2.6
122.93187	1.1
129.01842	1.0
142.99753	2.3
166.17912	1.1
173.04448	2.0
179.05534	1.5
191.05557	2.5
199.04152	5.3
217.05183	13.5
219.27814	0.9
233.04617	1.6
287.77972	1.1
289.03641	8.1
291.75241	0.9
319.08594	1.1
371.12064	2.7
382.14694	1.0
407.10126	100.0
408.10532	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	407.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	36.7
61.35474	5.0
69.03318	17.5
69.30995	56.3
71.01250	29.5
72.99169	13.1
75.00729	6.7
79.98512	6.0
83.01237	5.7
85.02837	7.8
87.00740	13.3
87.04388	71.1
89.02323	5.9
96.95906	13.6
97.06442	6.1
101.02312	27.6
108.02022	16.1
109.02827	15.3
109.97305	5.4
111.00748	7.6
113.02322	10.6
117.03300	7.8
119.04906	8.8
120.99516	25.3
121.02888	7.9
124.01504	5.5
129.01823	5.0
131.03383	100.0
131.04906	7.6
133.02841	47.0
134.03636	71.7
135.04427	68.8
137.02354	10.1
137.06062	5.1
142.09692	4.8
143.10603	5.1
147.04451	5.4
149.04437	22.6
149.05942	28.1
150.03220	6.8
159.04440	9.8
160.01543	8.3
161.02332	59.1
161.05998	11.8
162.03091	17.2
163.03909	23.7
165.05481	5.3
171.10152	23.6
173.05898	5.9
175.03947	34.0
176.04683	36.3
177.01857	17.9
177.05482	8.8
178.02612	17.0
179.03372	12.9
188.04724	8.3
189.05476	12.0
191.03467	9.5
191.05534	19.9
193.04927	13.9
203.07040	7.3
205.04977	13.7
206.02089	8.9
206.05724	17.9
219.02928	59.7
220.03635	17.8
231.10249	35.6
265.07275	6.7
266.08063	8.8
275.09256	95.4
309.06232	16.0
310.06995	50.5
317.10364	10.7
354.55844	5.4
407.17587	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	407.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02506	3.4
57.03337	4.2
59.01247	50.8
65.93798	3.3
66.87629	2.9
68.99661	4.9
69.03297	4.1
70.93874	5.4
71.01255	31.0
72.99153	3.4
83.01221	3.0
85.02809	25.9
87.00742	9.0
89.02317	15.9
95.01257	7.3
99.04354	4.0
99.07532	3.0
99.08040	28.2
99.97359	3.0
101.02313	15.5
111.00758	8.4
113.02330	27.6
114.61869	2.9
121.76987	3.0
121.94763	2.9
122.83752	3.2
129.01871	4.5
133.06480	16.0
134.03633	8.4
136.01564	14.7
139.00241	4.2
143.07043	97.9
144.07356	7.6
147.67149	3.3
149.02289	5.7
149.05980	4.5
150.03111	9.4
151.03896	27.1
161.04414	4.1
165.05446	12.4
165.09109	7.1
167.87286	3.1
191.05554	5.3
195.06461	3.4
205.07082	3.6
209.77876	3.4
241.30261	3.2
263.07724	30.9
281.08719	4.3
347.16949	5.0
359.11285	6.3
375.12692	3.9
407.10733	6.1
407.15594	100.0
408.15698	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	407.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	11.7
61.98699	1.5
71.01250	18.2
71.58618	1.9
72.03691	1.5
72.99170	4.7
75.00739	9.5
78.95774	3.4
83.71301	1.4
96.95895	3.5
96.96832	4.0
99.04379	1.5
121.12261	1.4
147.96870	1.4
171.10146	1.5
173.98370	1.9
189.97859	3.8
192.95587	1.5
201.97911	2.2
216.46973	1.4
236.10258	2.1
241.00238	15.2
255.01770	2.8
259.98550	9.2
269.03497	12.4
273.99991	1.7
283.04965	2.5
291.19662	2.5
298.07330	68.3
299.07684	2.9
309.20697	9.7
312.08878	100.0
313.09177	4.7
327.71646	1.6
331.18863	4.8
338.10349	4.9
398.24612	1.4
407.17126	8.3
429.83914	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	407.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	7.4
59.01246	100.0
65.88797	4.3
70.92161	6.8
70.92532	13.6
71.01270	25.7
72.99183	7.2
73.02806	7.4
75.00739	6.5
76.61310	4.4
85.02829	19.0
87.00746	9.3
89.02316	10.8
93.03333	17.4
101.02324	15.6
113.02311	10.5
121.02795	4.9
131.03412	26.6
132.02887	6.8
133.02847	10.4
134.03651	15.8
135.04417	22.4
137.02368	7.3
148.05150	5.6
149.04431	11.6
149.06024	6.6
156.13823	5.0
161.02303	15.8
168.56264	5.1
171.84297	4.7
173.04497	13.0
175.03944	7.9
178.02606	6.1
179.03404	6.6
191.05515	35.5
193.04817	4.7
203.10640	6.0
206.02127	4.9
206.05835	5.9
219.02994	11.1
231.10280	9.3
257.08090	5.7
268.08368	5.3
275.09216	20.6
309.06723	7.0
310.06699	8.0
317.10150	12.2
347.20538	5.6
348.59491	4.9
349.55728	9.9
390.11713	10.6
407.13278	9.6
407.18350	11.8
407.22885	63.5
408.12943	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	407.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.6
56.51400	2.1
57.03320	3.7
58.00468	2.7
59.01248	100.0
61.29030	2.0
63.96099	2.9
68.38338	2.0
69.70935	6.8
69.71349	6.6
71.01249	56.5
72.99200	7.3
73.02810	13.8
73.98192	3.5
74.98962	28.0
75.00750	4.4
75.66512	1.9
83.01250	10.1
83.04916	4.8
85.02822	25.8
85.03285	2.5
86.00006	2.3
87.00736	18.6
87.04402	5.2
89.02306	27.6
90.18258	2.0
94.14115	2.3
94.91573	1.8
95.01286	4.0
96.95915	3.6
99.00784	6.5
101.02313	44.9
103.70714	2.0
111.00763	2.4
113.02318	20.3
119.03413	8.4
121.84157	2.0
122.03760	2.4
123.04475	2.9
131.03416	4.6
132.99504	2.4
135.98312	2.9
149.02361	5.9
150.03133	4.1
151.00641	5.6
159.02931	1.9
159.04391	2.7
161.04494	6.9
163.11209	2.8
165.05519	6.4
171.10175	80.6
171.11598	4.1
172.10591	3.8
173.04517	2.5
179.05612	3.9
184.24922	1.8
185.11705	13.1
187.04066	2.6
187.07709	3.3
191.05620	9.6
195.06529	3.0
201.11296	5.2
203.12900	6.6
209.11754	51.5
210.12311	2.4
213.89246	2.3
227.12816	22.3
231.10086	2.4
253.09352	7.6
255.16045	7.2
257.08359	1.9
258.04236	3.0
261.13495	4.3
275.09280	9.8
313.11197	3.3
347.17072	45.5
347.20984	3.2
359.15082	2.6
363.16763	6.5
365.18124	89.7
366.18799	8.8
389.18445	5.8
407.19101	96.7
407.27444	5.0
408.19482	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	407.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.6
56.51400	2.1
57.03320	3.7
58.00468	2.7
59.01248	100.0
61.29030	2.0
63.96099	2.9
68.38338	2.0
69.70935	6.8
69.71349	6.6
71.01249	56.5
72.99200	7.3
73.02810	13.8
73.98192	3.5
74.98962	28.0
75.00750	4.4
75.66512	1.9
83.01250	10.1
83.04916	4.8
85.02822	25.8
85.03285	2.5
86.00006	2.3
87.00736	18.6
87.04402	5.2
89.02306	27.6
90.18258	2.0
94.14115	2.3
94.91573	1.8
95.01286	4.0
96.95915	3.6
99.00784	6.5
101.02313	44.9
103.70714	2.0
111.00763	2.4
113.02318	20.3
119.03413	8.4
121.84157	2.0
122.03760	2.4
123.04475	2.9
131.03416	4.6
132.99504	2.4
135.98312	2.9
149.02361	5.9
150.03133	4.1
151.00641	5.6
159.02931	1.9
159.04391	2.7
161.04494	6.9
163.11209	2.8
165.05519	6.4
171.10175	80.6
171.11598	4.1
172.10591	3.8
173.04517	2.5
179.05612	3.9
184.24922	1.8
185.11705	13.1
187.04066	2.6
187.07709	3.3
191.05620	9.6
195.06529	3.0
201.11296	5.2
203.12900	6.6
209.11754	51.5
210.12311	2.4
213.89246	2.3
227.12816	22.3
231.10086	2.4
253.09352	7.6
255.16045	7.2
257.08359	1.9
258.04236	3.0
261.13495	4.3
275.09280	9.8
313.11197	3.3
347.17072	45.5
347.20984	3.2
359.15082	2.6
363.16763	6.5
365.18124	89.7
366.18799	8.8
389.18445	5.8
407.19101	96.7
407.27444	5.0
408.19482	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	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.1
55.54908	1.3
57.03317	2.5
58.00471	2.6
59.01250	85.4
62.77279	1.4
69.03329	2.1
69.28709	8.6
69.29138	8.0
71.01257	21.7
72.54507	1.4
72.99187	3.5
73.02814	12.5
74.98972	3.0
75.00755	5.3
80.02534	1.4
83.01225	1.7
85.02829	9.9
87.00763	5.2
89.02319	15.5
93.03323	5.2
95.01271	1.8
99.00774	2.8
101.02313	16.4
101.90561	1.4
102.05482	1.8
104.15675	1.5
109.02850	2.0
109.68665	1.6
113.02334	11.5
113.09628	2.4
114.89509	1.6
115.00262	1.4
115.03905	3.1
119.03365	9.5
123.04379	2.1
131.03401	4.8
132.02936	2.8
136.99033	2.2
137.02383	1.7
138.77353	1.6
139.05688	1.7
139.21204	1.4
143.03496	1.6
149.04459	24.1
159.04408	1.6
161.02367	1.7
161.04454	5.1
167.10739	2.6
171.10181	63.5
172.10490	2.2
173.04539	2.5
174.03145	1.8
175.03957	1.5
175.07491	1.5
176.04648	2.9
179.03377	1.6
179.05544	3.6
183.13870	2.8
185.11752	100.0
186.12100	4.3
187.03934	2.9
187.07527	7.9
191.05530	10.4
201.05531	4.4
201.09216	2.1
201.14867	1.5
202.06262	2.1
209.11784	17.0
213.09062	1.9
215.07034	2.3
227.12822	9.1
229.08698	5.6
231.10239	4.7
244.12593	1.8
245.12122	2.7
253.09235	7.8
257.08194	5.5
273.11362	3.1
275.09274	5.9
275.15005	6.3
291.12390	1.6
317.10251	8.3
389.18036	4.8
394.40448	1.9
407.13269	9.3
407.18500	16.7
407.26556	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	407.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.8
59.01233	15.0
60.89850	2.7
69.41317	31.6
71.01265	4.9
80.91548	11.1
83.01260	8.1
85.02766	3.4
96.95857	5.2
97.06461	4.4
99.92427	11.5
109.92945	3.4
111.08067	16.0
115.91936	9.9
116.92709	4.1
123.04368	7.9
125.09628	27.9
127.11134	10.3
131.61964	4.5
137.09598	7.7
137.28145	3.0
141.09068	12.2
151.11163	4.1
155.10658	4.9
164.08292	4.9
165.08864	3.2
171.10115	18.6
181.08379	5.2
183.10017	4.3
191.06888	4.6
191.53754	3.8
193.08405	19.5
198.92023	3.7
201.11258	65.9
207.09946	6.0
209.07910	9.0
209.11823	5.2
213.11276	30.7
221.11513	3.9
223.09476	100.0
224.09831	3.3
231.09935	4.5
235.09499	40.3
241.09236	12.8
259.09683	3.2
260.10281	22.4
278.11298	57.5
281.04263	4.1
287.16428	3.8
289.18054	12.2
307.19131	34.9
320.11203	7.3
325.20139	99.0
326.20520	9.7
329.17319	85.2
347.18201	31.1
372.10324	4.8
390.19034	4.1
407.21677	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	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01235	2.4
69.86437	4.2
78.95770	100.0
96.95858	1.2
96.96832	7.7
98.19852	1.0
150.97908	1.6
152.99480	87.2
153.99854	1.6
171.00543	63.6
172.00938	1.0
181.85864	0.7
183.01062	1.1
201.11263	2.7
213.11374	0.8
249.34782	0.7
307.19189	1.1
325.18439	1.9
407.21365	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	407.28
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	5.8
59.01247	8.8
65.78658	0.9
68.58805	1.0
71.58267	1.6
78.95786	5.5
78.96191	1.0
80.02560	2.1
81.03338	1.2
91.56513	0.8
95.04893	1.7
96.95889	3.1
97.02827	1.7
97.06452	1.2
106.04179	1.0
107.04902	2.4
109.06467	1.1
110.03614	1.2
110.98438	1.4
111.08048	3.8
121.06489	2.7
123.04408	9.0
123.08041	16.6
125.09608	6.6
126.15708	0.9
126.39310	1.0
127.11121	1.6
135.04417	0.9
137.09615	2.8
139.11162	9.0
142.02617	3.6
149.09619	2.3
151.11176	7.7
152.99503	6.9
153.09105	1.3
155.14346	3.0
163.11163	1.0
171.10202	2.8
177.12744	3.1
180.31718	1.0
183.10336	1.2
185.02153	2.3
191.14365	1.0
195.13817	4.6
199.13330	31.2
201.11247	10.6
209.11745	1.5
211.13402	1.3
213.11258	11.3
221.11787	2.8
223.09354	0.9
227.13171	1.0
233.15433	1.8
237.11316	1.0
239.12917	2.2
239.20062	4.8
245.19086	12.4
246.19319	1.3
247.17137	2.1
263.20270	1.4
271.17044	4.3
289.18082	100.0
290.18442	9.4
293.21176	3.6
294.21796	1.2
307.19144	76.3
308.19577	6.9
323.18652	2.9
324.19360	15.3
325.20108	8.0
325.23901	15.8
326.24185	1.2
347.22034	6.8
389.27316	2.1
407.28073	53.7
408.28592	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	409.075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94062	3.7
55.01769	3.7
57.03328	5.6
59.01247	72.9
59.01768	3.2
61.00879	4.6
68.91977	3.5
68.99684	8.4
69.03300	9.0
70.96397	3.2
71.01250	100.0
71.34488	9.4
72.99180	35.4
73.02817	22.5
75.00351	4.9
75.00748	43.5
83.01247	17.8
85.00890	5.6
85.02818	24.9
87.00757	59.3
89.02316	71.9
93.03318	6.7
95.01233	4.7
96.99251	3.4
97.02838	5.4
99.00764	25.9
99.02481	5.0
100.76149	3.9
101.02319	56.5
103.00228	9.9
103.00910	3.6
111.00762	20.8
111.04340	3.9
112.53642	3.6
112.98691	17.2
113.02332	33.3
115.00240	28.5
115.01954	4.6
117.01845	12.0
119.03410	21.0
123.00784	7.3
125.02330	5.6
127.00231	10.3
127.01956	4.7
129.01822	16.6
131.03345	5.5
133.01337	6.2
134.86313	3.8
141.01801	21.2
142.99779	13.2
143.03355	7.3
145.01331	13.4
149.04448	3.8
155.03346	4.9
157.01234	5.1
159.00844	4.6
159.02896	10.3
161.04448	8.5
167.03470	5.1
170.01361	3.8
171.00961	8.2
172.02957	4.1
173.02492	7.9
175.02376	4.8
177.03941	5.9
179.05550	26.3
189.05623	5.2
191.05559	12.6
209.06584	4.6
217.10020	3.9
231.03188	5.3
233.04691	25.8
247.03998	5.2
263.05792	12.9
321.08292	8.8
339.09164	6.8
371.11923	53.2
372.12335	7.2
373.12827	6.7
409.07370	85.2
410.09836	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	409.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64651	0.6
59.01241	6.0
63.10124	0.7
69.88409	0.5
71.01246	8.5
71.59038	0.9
72.99179	0.6
75.00749	4.5
78.95783	2.7
82.41216	0.5
96.96849	1.9
111.74689	0.6
144.30876	0.6
147.96786	0.8
152.99464	1.6
171.10161	0.7
173.98334	1.7
189.97910	1.4
201.97884	2.5
209.11940	0.7
222.08713	2.8
232.79065	0.6
238.06020	0.9
241.00273	12.2
255.01811	1.4
256.02667	1.7
257.07294	0.6
259.98468	3.8
269.03458	3.6
270.04202	2.6
293.21277	0.7
298.07321	100.0
299.07623	4.7
311.22214	3.9
312.08896	17.0
313.09186	1.1
333.20261	2.8
349.17657	1.1
381.19583	0.7
409.19064	9.0
410.18985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	5.5
59.01241	5.0
61.49659	1.2
61.98690	1.1
67.80535	1.0
70.81107	2.3
71.01260	1.8
72.02061	1.3
73.02784	1.1
73.33127	1.1
80.91565	1.9
85.02820	1.2
99.92438	2.2
113.09593	13.3
115.91923	1.2
123.08000	1.6
125.09599	7.8
127.11164	8.1
137.09615	3.1
139.11171	1.6
141.09111	6.2
151.11166	3.2
153.09087	2.2
153.12677	1.3
155.10696	4.0
157.12209	1.5
165.09052	4.1
166.09769	1.4
167.10593	2.3
169.12262	1.3
171.10143	7.1
181.08365	3.0
183.10056	3.4
191.05385	1.4
193.08401	13.6
195.10143	3.2
199.09694	2.2
201.11241	56.1
202.11691	1.9
209.07993	6.7
213.11250	31.8
223.09474	78.3
224.09789	4.5
225.07346	1.4
227.09009	2.3
235.09438	31.3
236.09868	2.2
241.09247	23.4
242.09500	1.6
249.11046	6.5
263.20087	4.8
291.19507	4.1
303.19067	1.6
309.20706	8.6
313.17783	2.1
327.21722	100.0
328.22073	7.5
331.18881	48.5
332.18964	4.1
349.19186	13.6
350.18964	1.3
413.18063	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	409.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68491	1.2
57.03320	6.6
58.00463	1.5
59.01246	7.7
61.98695	1.7
69.03324	1.2
71.01243	2.5
72.04231	1.3
77.49384	1.1
78.09760	1.2
80.91566	4.3
85.02850	1.3
98.03600	1.9
99.92453	4.6
108.02128	1.4
109.02814	1.5
113.09612	14.8
115.91999	1.9
123.08105	1.4
125.05975	1.7
125.09637	8.9
127.11191	11.8
137.09625	3.7
141.09091	7.1
143.10771	1.5
151.11154	2.2
153.09105	3.5
155.10667	4.5
157.08632	1.3
165.09081	4.5
166.09911	1.7
167.10658	2.9
171.10207	6.7
181.08331	4.2
183.10002	4.3
191.05420	2.5
191.06944	2.7
193.08403	18.2
195.10208	3.5
196.65384	1.4
201.11255	64.4
202.11607	2.5
207.09946	1.8
209.07933	8.0
213.11266	34.9
223.09488	91.9
224.09811	4.7
227.09059	2.1
235.09470	37.0
236.09682	1.8
241.09293	24.0
242.09445	2.7
247.20540	1.7
249.11133	9.9
266.85269	1.3
291.19629	6.9
309.20743	10.3
327.21738	100.0
328.22067	9.9
331.18872	55.2
332.19113	5.3
347.81787	1.4
349.18909	12.8
350.18970	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	409.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.7
57.03321	1.4
59.01247	4.0
61.98689	1.5
71.01257	2.2
71.14374	2.0
73.02820	8.3
78.91765	3.9
78.95766	2.3
80.96386	1.2
86.37051	1.1
99.00748	28.7
100.01060	1.3
111.04488	1.1
117.01823	14.4
139.11166	4.3
152.99457	3.0
167.10677	1.4
171.10210	1.0
199.13177	1.2
213.11159	2.8
214.11804	1.1
227.05920	1.5
240.13628	2.3
269.06967	5.3
273.18893	1.2
277.63483	1.2
291.19611	13.9
309.20682	100.0
310.20953	9.6
311.22189	1.4
342.98636	1.3
373.11322	1.3
388.13245	1.4
407.87830	1.3
409.18372	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	409.2358
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
52.36372	0.3
70.92616	0.3
71.08141	0.5
78.16850	0.3
78.95774	68.4
79.31787	0.3
96.96842	5.3
110.86475	0.3
130.09106	0.3
135.50673	0.3
150.97919	1.3
152.99492	100.0
153.99826	1.3
171.00546	2.7
255.23244	2.3
409.23575	14.1
410.23962	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	409.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78152	0.8
57.03323	1.6
58.62183	0.9
59.01242	4.3
66.94427	0.9
70.02272	4.9
71.01243	1.2
71.04899	0.9
78.95776	4.9
113.09606	2.0
123.04408	2.1
125.09599	3.4
127.11158	1.5
132.76938	0.9
137.09599	1.6
139.07495	1.1
139.11200	1.3
142.02632	1.3
151.11180	5.7
152.99481	3.8
153.09099	4.8
165.12764	1.6
171.10213	1.0
193.12297	1.3
195.13811	2.8
201.11250	9.8
210.12524	1.0
213.11253	12.1
213.14932	2.6
221.11713	1.3
237.14734	1.2
239.12875	1.1
241.21712	6.0
247.20688	8.5
273.18509	1.6
283.19067	1.5
291.19659	100.0
292.19986	7.6
309.20682	51.0
310.21069	3.9
313.21262	1.2
325.20212	3.2
326.20929	2.0
327.21805	8.4
329.54660	1.0
349.15521	2.0
409.29572	59.1
410.30170	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	411.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	5.1
59.01247	30.9
69.03323	91.2
69.26913	8.5
69.27338	9.4
70.03664	2.3
71.01250	19.4
72.99184	7.6
73.02823	6.3
75.00748	13.9
79.01794	2.0
83.04867	1.6
85.02827	5.8
87.00751	21.0
89.02312	23.9
93.03324	4.3
93.50554	2.1
95.01285	3.7
96.95888	3.8
97.02819	18.4
97.06477	10.9
98.19798	2.7
99.00750	21.3
101.02327	8.2
107.04901	2.5
108.02034	2.6
108.04887	1.7
109.02819	10.8
111.00758	2.5
113.02343	6.7
115.00251	2.3
117.01823	30.2
119.03409	7.9
119.04964	2.1
123.00777	3.1
123.04381	2.1
124.01577	3.1
131.03397	2.3
133.02849	15.2
134.03632	100.0
135.02890	62.5
135.04411	25.0
136.01488	1.7
137.02327	33.4
139.03896	1.6
141.01785	9.0
147.04445	3.4
151.03896	12.9
156.64287	1.5
161.04443	2.9
166.21078	1.8
169.30479	1.8
173.04428	3.7
175.11186	2.4
177.01857	13.3
178.02632	20.0
179.03384	7.6
179.05521	7.3
181.12245	2.3
185.00847	59.8
185.02466	3.4
191.05544	11.5
196.03691	4.0
203.10713	2.6
203.36925	1.6
204.33066	2.0
205.52867	1.7
213.09183	3.8
219.10210	2.8
225.11281	3.3
231.10246	15.7
249.11279	13.6
257.07922	3.2
275.09198	8.5
284.05316	10.2
293.10284	19.4
294.66345	2.6
296.05374	3.8
314.06757	3.0
314.10162	4.8
393.11615	2.5
411.12659	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	411.236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.4
59.01260	14.7
66.34145	1.4
69.03319	2.3
71.01235	5.1
71.58585	1.6
73.02817	1.9
76.84260	1.5
80.91518	1.9
83.04906	3.1
84.02002	1.8
85.02805	2.4
89.02309	2.7
93.03307	3.1
96.95898	2.6
99.08041	7.4
99.92440	3.7
101.02320	2.6
103.25194	1.7
107.87737	1.4
115.92014	1.6
125.09591	6.0
127.11145	4.7
128.01012	1.5
133.02809	2.6
135.04391	4.3
139.11174	16.8
153.12813	1.6
155.10770	2.6
157.12265	1.8
161.02321	3.8
163.11192	1.7
165.12727	21.3
166.12976	1.4
171.10161	26.2
173.04472	3.5
173.05884	1.6
183.13725	3.1
187.07469	1.8
191.03423	1.4
191.05473	7.6
193.08383	47.1
202.06078	2.7
205.12022	2.8
209.07925	2.5
209.11772	2.2
211.13313	22.8
219.10117	3.2
221.11528	10.5
223.11815	1.9
225.13306	1.9
229.08545	1.7
229.14438	13.2
230.09343	1.6
231.09964	13.6
233.11539	100.0
234.11821	5.6
237.30394	1.6
249.07556	2.5
249.10924	12.8
251.11346	28.4
251.12465	22.1
252.11401	2.5
289.65994	1.4
293.21054	1.9
294.05646	1.6
309.20245	1.3
311.32828	1.4
329.23291	72.8
330.23645	5.6
333.19394	2.4
351.21451	79.1
352.21826	8.6
395.20383	5.1
411.22211	8.4
412.22507	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.29842	1.4
69.25495	4.3
69.25917	11.1
78.95770	3.8
88.26440	1.4
137.03964	1.3
152.99490	3.9
271.23334	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	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
71.22234	5.6
78.95790	8.8
90.55846	3.2
112.11311	2.8
143.02026	2.8
152.99484	6.2
154.99963	2.9
248.11533	2.8
248.41199	2.7
322.04605	3.1
323.04538	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	412.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55686	7.8
59.01250	100.0
60.60609	7.7
69.03324	12.6
69.26373	86.8
71.01242	86.6
72.00773	16.6
72.99200	14.6
75.00742	12.9
80.98925	7.0
85.02828	26.2
86.02378	11.0
87.00747	47.0
89.02317	91.1
93.03352	39.8
95.01208	10.0
97.06505	8.9
99.00774	10.8
101.02327	62.1
102.01830	27.1
109.02812	16.5
111.04342	11.6
113.02319	23.7
117.01824	16.9
117.88469	10.3
119.03374	49.0
121.02826	11.8
121.06509	9.7
122.78523	8.8
123.04408	18.1
127.03893	15.0
134.03609	58.0
135.02849	20.4
135.03941	25.9
137.02330	20.3
137.09570	32.3
151.03893	9.5
155.03345	19.6
161.04416	9.7
162.40242	7.6
179.05540	11.0
180.10222	10.2
191.05537	35.8
232.10605	8.7
250.14499	14.0
278.21005	8.8
279.05060	8.9
294.10660	15.4
412.20096	20.9
413.17133	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	412.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	11.3
59.00975	10.6
59.01248	100.0
64.37216	6.8
67.81384	6.8
69.03313	18.1
70.79008	13.7
70.79377	13.5
71.01246	61.3
72.99186	10.4
73.02798	12.5
85.02837	17.1
86.02358	8.5
87.00726	34.0
89.02322	57.1
93.03341	15.4
93.86079	6.2
97.02831	13.4
99.00733	10.2
101.02312	51.7
102.01859	31.7
109.02859	11.9
109.42581	6.9
113.02316	16.6
117.01835	9.8
117.25754	8.6
119.03354	33.3
134.03642	43.9
135.02876	25.4
135.04013	27.7
136.01521	8.4
136.04729	10.7
137.09602	18.0
141.01787	10.3
149.04135	16.7
151.03865	10.8
161.04407	10.7
173.04459	8.0
179.05489	10.1
180.10150	6.7
190.58966	7.3
191.05551	27.8
193.03214	23.0
231.10254	10.4
232.10591	12.6
232.13113	6.8
250.14343	8.7
286.80338	7.2
294.10715	11.5
395.92603	7.0
412.19727	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	413.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65544	0.7
52.56433	0.8
56.04973	0.7
59.01251	19.4
69.50487	0.9
69.58211	6.4
71.01260	2.1
89.02319	2.0
91.68242	0.9
96.19279	0.8
101.02339	0.9
108.02045	3.3
119.03433	0.9
120.02082	1.2
137.31395	0.8
148.01556	1.3
176.01065	68.1
177.01447	2.2
190.65157	0.7
191.03418	100.0
192.03777	4.1
211.27147	0.8
213.59656	0.9
240.68837	0.9
325.23895	0.9
375.12930	2.1
433.21799	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	413.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	21.6
61.45078	0.3
65.12152	0.3
71.35231	0.4
89.02261	0.3
91.11423	0.4
101.02354	0.4
108.02047	2.5
116.54333	0.3
120.02077	0.8
148.01566	1.7
151.91321	0.3
176.01059	71.8
177.01375	3.0
186.56459	0.4
191.03413	100.0
192.03749	4.3
215.73586	0.4
374.26111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
66.28353	2.1
69.03302	2.2
69.43766	14.6
71.01248	5.9
85.02853	3.3
87.00747	2.1
89.02327	3.8
91.22055	1.7
93.55254	1.7
97.02837	4.5
101.02288	2.7
117.24159	1.8
119.04871	1.9
146.92567	2.2
161.02412	2.1
176.01076	27.4
188.07124	2.4
191.03400	30.0
191.05493	4.9
192.03928	2.2
313.09048	1.8
375.11710	2.9
377.30115	2.1
413.14725	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	413.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16472	1.0
55.01740	1.2
57.03321	100.0
58.03651	1.3
59.01248	92.4
60.36259	1.0
65.13262	1.3
65.88694	1.0
69.24864	2.0
69.25265	11.1
71.01254	10.3
73.02815	5.0
75.86453	1.1
76.70693	1.1
80.04505	1.0
81.03321	2.5
83.01273	2.6
84.13876	1.1
85.02831	5.6
95.01240	1.6
99.00762	1.7
99.04389	79.3
100.04700	1.7
101.02314	23.7
103.53042	1.1
113.02343	3.3
125.02326	37.0
125.03236	2.1
126.02647	1.1
143.03386	2.2
147.21680	1.2
159.02869	1.4
161.04486	3.8
188.79549	1.0
226.76065	1.0
269.10260	9.9
272.20093	1.4
286.20837	1.2
311.11508	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	413.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.4
57.03323	100.0
59.01249	85.5
64.08172	0.9
69.03289	1.4
69.58423	5.7
71.01250	15.0
72.99147	1.3
73.02816	6.9
73.24627	1.0
78.95380	1.1
78.95762	5.6
80.57781	1.1
81.03297	2.2
81.86996	1.0
83.01249	3.8
85.02805	8.0
87.00768	2.1
89.02318	2.0
93.03337	4.9
95.01264	2.0
97.02827	1.2
99.00765	2.8
99.04391	76.7
100.04755	1.4
100.74869	1.0
101.02320	28.0
105.01817	1.7
113.02328	5.0
119.03369	1.2
123.04429	2.5
125.02328	27.4
134.03525	1.3
135.04390	1.4
137.02315	2.8
143.03360	3.1
152.99457	7.2
155.03450	5.9
159.02968	1.4
161.04451	8.1
163.04042	1.0
175.74922	1.0
191.05519	2.9
223.31178	1.2
269.10300	17.3
311.11273	1.6
381.13257	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	413.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86830	2.4
57.03321	3.9
59.01244	12.5
61.98673	3.5
71.01243	4.5
71.58660	2.6
74.98967	13.1
86.98959	3.8
87.00743	7.4
89.02296	2.2
93.98180	2.0
99.73505	1.9
101.00523	4.0
124.86150	2.3
125.39013	2.1
137.09634	2.6
153.09091	8.1
153.12761	5.5
182.07719	3.6
182.09634	2.0
182.76852	2.6
184.09160	9.5
187.07846	6.6
195.13873	3.1
199.13321	2.5
216.08185	8.0
233.11424	4.4
235.64587	2.1
247.20595	9.7
247.29565	2.3
255.97990	2.3
273.18646	2.9
291.19632	34.0
292.19904	2.9
293.21182	5.1
309.75528	2.1
325.18399	100.0
326.18735	6.4
413.19968	87.1
414.20380	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	413.2179
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.01766	2.0
56.22640	0.4
57.03321	2.5
57.26709	0.3
58.00460	1.3
59.01251	17.4
69.03321	1.2
69.26634	4.1
71.01252	22.6
72.67590	0.3
72.99179	1.3
73.02814	6.9
75.00748	0.9
83.01263	4.3
83.90662	0.3
85.02824	12.1
85.99984	0.6
87.00751	1.3
89.02325	5.6
93.03320	0.4
95.01265	2.1
97.02862	0.6
99.00755	2.8
99.04396	1.5
101.02319	12.5
113.02324	8.2
117.01829	0.4
119.03394	1.2
128.96269	0.5
129.01823	1.5
143.03314	0.4
159.02902	0.6
161.04454	1.8
191.05530	1.4
233.15453	0.8
235.17009	9.0
251.16496	5.3
296.77139	0.4
307.99423	0.4
395.20694	0.4
413.21783	100.0
414.16867	0.7
414.22134	9.2
422.06555	0.4
439.85962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Tentoxin
Peak:m/z	Relative Intensity
50.53881	0.4
55.01755	2.2
57.03323	5.8
58.00460	1.2
59.01250	18.2
68.99660	0.5
69.03330	4.5
69.35408	4.8
71.01250	24.7
71.04884	1.1
72.99165	1.6
73.02815	7.4
75.00745	0.9
83.01257	5.2
85.02816	14.6
85.06437	0.7
85.99934	0.5
87.00762	0.8
89.02317	5.8
89.02847	0.8
95.01258	2.5
98.20549	1.2
99.00748	3.8
99.04385	7.4
101.02319	15.0
101.02995	0.8
113.02325	8.9
115.57707	0.5
119.03376	1.5
125.02303	0.9
129.01808	1.4
157.96060	0.6
161.04459	1.6
163.03867	0.7
181.12280	0.7
187.07590	0.5
188.40698	0.5
191.05550	1.3
193.92529	0.4
215.07025	0.5
223.71062	0.5
233.15385	0.6
235.16968	10.2
251.16479	77.2
252.16830	5.2
252.79185	0.5
413.21756	100.0
414.22092	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	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.4
57.03323	3.1
58.00449	2.3
59.01250	29.8
61.98698	1.8
69.03318	1.1
69.38429	1.5
69.38831	5.1
71.01250	38.3
72.99173	2.9
73.02441	1.0
73.02818	14.6
75.00727	0.9
77.65650	0.6
77.96410	0.6
83.01260	7.4
83.44482	0.6
85.02821	21.6
85.99937	2.5
87.00724	2.0
89.02322	8.8
93.03330	0.8
95.01266	3.8
99.00758	6.7
99.04364	0.8
101.02317	35.8
102.98482	0.7
111.00806	0.8
111.66408	0.6
113.01524	0.8
113.02323	16.5
119.03384	5.1
129.01839	1.2
137.11136	0.7
143.03391	1.5
159.02899	2.0
161.04465	6.2
163.03864	0.6
169.83731	0.7
191.05563	1.5
196.79997	0.6
235.17029	0.9
251.16492	4.0
369.22720	0.8
395.20895	1.0
413.21756	100.0
414.22107	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	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81276	0.7
53.72115	0.8
54.40071	0.8
57.03318	0.8
59.01250	100.0
60.01595	0.9
61.98703	1.2
64.58190	0.8
68.99668	0.9
70.73824	1.7
71.01258	3.5
72.99182	0.8
77.21573	0.8
85.02844	1.3
87.00775	2.0
89.02336	2.0
93.03362	0.9
96.95868	1.6
99.00719	1.1
101.02350	2.8
109.02886	1.3
113.02343	1.6
119.03383	1.3
121.02924	0.8
122.03635	1.0
161.04509	2.0
171.10263	1.0
179.05588	1.0
186.06741	1.0
191.05583	2.5
196.63535	0.8
201.09158	1.2
229.08679	2.0
257.08081	1.2
269.08066	0.9
288.13239	0.9
297.86148	0.9
315.08560	1.0
316.09564	3.0
331.19043	1.4
413.15976	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	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.3
57.03315	2.9
58.00460	1.0
59.01250	19.3
59.98386	0.5
63.24022	0.3
68.99688	0.3
69.03330	1.8
71.01249	25.9
71.04871	0.4
71.36115	0.7
72.99184	1.6
73.02812	7.3
75.00737	0.8
83.01254	4.5
85.02820	14.4
85.99979	0.6
87.00758	1.5
89.02306	5.5
93.03315	0.8
95.01267	2.9
97.02830	0.6
97.06496	0.3
98.51016	0.3
99.00760	3.5
99.04398	2.2
101.02316	14.2
106.16677	0.3
109.72460	0.3
111.00745	0.5
113.02326	9.3
117.01769	0.4
119.03383	1.6
119.04906	0.4
125.02315	0.4
129.01831	1.5
134.03607	0.4
135.02873	0.5
137.02353	0.4
159.02890	0.5
161.04443	1.5
163.03932	0.4
173.04439	0.4
191.05508	2.0
193.56453	0.3
233.15373	0.9
235.16986	10.9
236.17360	0.5
251.16530	5.8
252.16840	0.3
275.48914	0.3
413.21771	100.0
414.22052	8.7
419.51047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	100.0
63.96471	2.1
69.27213	21.5
76.41080	2.2
88.09138	2.3
216.99403	2.3
413.30521	6.5
416.52661	2.5
436.91418	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	413.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85028	1.9
59.01247	100.0
62.44246	1.7
71.08108	4.5
78.95757	2.5
89.25914	1.8
110.00896	1.8
118.60152	2.0
126.00891	1.8
264.97620	2.4
392.29651	2.2
397.19180	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	415.1031
Annotation	Aleuritin
Peak:m/z	Relative Intensity
54.01452	0.6
56.99893	0.5
59.01247	6.8
59.77682	0.5
69.66673	3.9
71.01255	5.4
72.99191	1.0
73.02818	1.3
83.01247	1.3
83.04928	0.6
85.02816	2.0
87.00742	1.4
89.02297	2.9
93.03350	0.6
95.01258	1.3
96.95862	0.7
97.06458	0.7
98.19814	0.6
101.02317	3.4
103.88014	0.6
108.02069	1.7
111.00789	0.9
113.02306	2.0
119.03372	1.3
120.99557	0.7
122.03693	0.8
136.01526	2.7
137.02251	0.6
139.00215	1.1
146.64813	0.6
151.03894	0.7
157.01315	0.6
161.02322	2.2
161.04459	1.7
163.00276	20.5
164.01016	1.4
173.04498	1.0
174.08897	0.6
177.01805	1.7
178.02660	0.8
179.03426	2.7
179.05602	0.8
179.99359	0.5
189.01848	7.6
190.02579	0.7
190.99774	100.0
191.05531	2.3
192.00549	81.6
193.01059	4.0
194.05783	2.8
205.01384	1.7
206.02130	53.4
207.02899	47.8
208.03207	2.8
208.45947	0.7
209.08130	18.6
210.08395	0.9
217.01465	1.4
253.18129	0.6
262.26184	0.5
355.08292	1.7
356.08984	0.7
371.78622	0.6
383.07813	1.3
415.10257	24.7
415.23215	2.6
416.10959	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	415.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	32.4
59.41467	3.7
63.11504	3.9
63.97330	5.0
69.03329	13.8
71.01245	34.2
72.99174	100.0
73.02805	12.8
75.00748	24.0
75.59607	4.8
85.02831	14.7
87.00758	19.7
89.02327	21.0
93.03378	5.6
95.04888	4.4
99.00789	4.4
101.02343	18.3
105.01810	8.4
113.02312	9.9
114.48527	4.6
119.03363	6.1
124.01522	4.8
135.02866	51.7
137.02304	5.0
147.02863	11.0
161.04475	6.4
164.04671	5.7
165.09143	5.2
167.99741	4.2
179.07027	8.5
191.01932	17.8
191.05553	12.0
415.11972	36.8
416.12723	5.2
420.78186	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	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39485	0.8
51.01167	0.8
55.32709	0.8
57.03310	1.4
58.16958	0.9
59.01244	11.1
60.21205	0.8
64.16399	0.8
64.93379	0.8
69.03326	6.1
69.50946	4.0
69.51364	2.0
71.01250	19.4
72.99179	100.0
73.02815	5.7
73.99515	1.5
75.00741	20.4
75.31483	0.7
85.02808	5.2
87.00751	5.2
89.02322	5.5
94.21454	0.9
95.04893	2.1
98.19734	1.0
99.00761	4.7
101.02315	3.8
105.01817	18.9
113.02311	2.7
117.01833	6.5
117.35099	0.9
117.58089	0.8
119.03428	1.0
135.02881	54.9
136.03181	1.0
139.07524	1.0
147.02896	20.6
156.96915	0.9
165.09065	1.2
179.54584	0.8
191.01880	16.9
191.05489	2.3
191.07086	1.1
203.79643	0.8
208.40291	0.9
223.69696	1.0
235.09529	1.1
265.24280	0.9
371.13477	3.3
415.12137	7.1
415.16080	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	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20633	1.2
59.01248	18.4
68.32520	1.6
69.03315	18.7
71.01248	36.3
72.99178	100.0
73.02825	11.2
75.00736	18.6
85.02821	9.1
85.25569	1.4
87.00755	8.4
89.02311	12.4
92.20500	1.3
95.04893	8.5
97.02863	1.4
99.00751	5.6
100.54234	1.7
101.02312	9.5
105.01814	38.1
106.26898	1.4
113.02329	3.2
117.01821	5.6
119.03407	2.9
121.02834	2.0
121.06452	2.0
135.02882	48.7
147.01758	3.3
147.02892	50.5
148.82426	1.5
152.10367	1.3
157.57137	1.4
161.04492	2.3
165.09047	3.7
179.10709	1.9
191.01877	18.0
191.05617	3.0
191.07057	5.7
192.02155	1.5
229.18919	1.6
253.37537	1.4
364.76212	1.5
371.13412	12.3
374.26062	1.4
415.11777	23.1
415.16559	5.9
430.06931	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	415.1608
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01763	1.6
57.03313	0.8
58.00463	3.7
59.01248	81.0
69.03318	1.9
69.25240	5.0
69.25658	1.3
71.01249	67.1
72.01582	1.0
72.99175	4.0
73.02813	16.7
75.00762	0.7
78.95788	0.7
81.03320	0.8
83.01248	3.0
85.02825	8.9
85.03333	0.7
87.00735	3.6
89.02312	100.0
89.33225	0.6
90.02663	1.1
95.01255	2.2
96.95775	0.5
97.02808	0.8
99.00753	19.6
101.02321	34.7
102.02663	0.6
112.00271	0.9
113.01525	1.0
113.02313	13.9
117.01823	0.6
119.03388	10.0
125.02333	3.9
131.03398	17.4
143.03360	2.1
147.02786	0.6
149.04454	45.4
150.04753	0.7
152.99496	0.7
161.04439	3.3
176.49783	0.6
179.05576	3.2
191.05522	13.8
242.11896	0.5
251.07591	2.1
257.35019	0.6
269.06931	1.4
283.11908	1.0
361.34796	0.6
410.07507	0.6
415.10696	0.7
415.15732	5.1
416.11636	1.9
431.51956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	4.4
57.03311	4.5
58.00459	3.7
59.01248	64.6
68.99716	0.8
69.03321	5.3
71.01250	100.0
72.01624	1.1
72.99180	62.2
73.02814	38.1
75.00743	11.7
78.95800	3.3
81.03344	3.6
81.11293	0.9
81.93969	0.8
83.01253	20.3
83.04893	1.5
85.02821	47.4
87.00767	6.3
89.02316	20.9
89.02877	1.0
93.03361	1.2
95.01242	4.7
97.02830	7.6
97.06458	1.3
99.00749	15.4
99.04411	2.7
100.90115	0.8
101.02316	80.5
102.02690	1.2
103.03873	10.1
105.01807	9.5
107.04910	2.2
107.76785	0.9
109.02824	1.1
111.00758	1.6
111.04476	0.9
112.00295	1.4
113.02329	27.2
116.04993	1.0
117.01849	3.0
119.03384	5.3
120.99548	1.1
125.02328	15.1
125.09620	6.9
126.31649	0.8
126.53198	0.9
127.03928	3.1
129.01891	1.4
130.08644	1.7
131.03421	2.2
135.02884	27.3
143.03378	9.9
145.05003	4.8
147.02896	8.2
149.89005	0.9
151.03973	1.7
152.04767	2.4
152.99507	3.4
159.02910	5.7
160.57813	0.9
161.04463	43.2
162.04890	1.5
163.06024	5.3
173.04526	1.5
185.00951	1.1
187.09630	6.6
191.01927	11.0
191.05511	5.2
191.10768	1.0
193.04988	1.6
205.03539	2.6
205.07166	3.4
211.06085	2.3
229.07309	1.0
247.08188	8.6
267.23001	0.9
269.10278	78.9
270.10739	3.3
283.11856	2.2
307.10489	2.2
343.14105	0.9
368.72308	1.0
380.18329	2.0
415.16187	63.3
416.11688	1.9
416.16473	5.8
423.26758	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	415.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	2.7
59.01247	100.0
69.03322	3.1
71.01253	40.1
71.39143	3.6
72.99157	3.0
73.02837	3.9
77.31941	2.3
85.02814	9.5
87.00723	5.9
89.02315	51.5
95.01242	3.7
99.04341	2.5
101.02321	23.9
113.02349	14.4
119.03387	20.0
120.99525	8.9
131.03397	3.0
131.70636	3.0
143.03391	5.2
161.04414	8.3
175.07463	3.1
179.05479	10.4
191.05510	10.6
194.24872	2.7
253.14351	4.3
347.06973	2.9
415.19391	9.3
427.42584	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	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05275	2.4
54.64697	2.5
57.03318	3.6
59.01247	83.0
69.03310	7.4
71.01248	67.6
71.59162	4.4
71.96815	2.8
72.07201	2.5
72.99169	12.7
73.02818	4.6
73.82724	2.5
75.00752	3.7
85.02818	17.6
87.00763	8.5
89.02310	85.9
93.03341	3.6
95.01249	5.0
96.95871	4.5
97.06499	2.6
99.00745	6.4
100.19186	3.0
101.02311	37.2
112.68397	2.6
113.02328	32.1
118.97990	5.3
119.03381	33.7
120.99529	7.4
121.06444	6.6
125.02363	4.2
131.03448	3.1
135.02885	4.9
143.03400	6.8
149.04497	4.5
161.04393	14.1
167.06058	30.4
173.04506	6.0
173.13231	3.6
175.07610	3.4
179.05515	23.8
189.12953	3.6
191.05530	25.1
195.05574	6.9
197.07088	5.1
209.07144	4.3
222.06723	13.1
225.06676	4.2
233.06569	3.6
235.13330	5.0
236.08316	15.1
254.09309	11.0
264.07730	24.0
266.09360	23.7
282.08673	6.5
284.10336	12.6
294.08755	29.9
312.09875	8.7
326.07669	9.5
356.08856	100.0
356.13293	5.2
415.14996	3.7
415.19684	18.8
415.31601	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	415.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30500	0.7
54.61497	0.7
55.05229	0.6
56.22187	0.7
59.01246	1.9
67.28487	0.8
67.73825	0.7
70.97592	0.8
70.97916	1.2
74.98959	6.6
77.00530	74.4
78.00864	0.7
82.39785	0.9
97.65710	0.7
109.75005	0.7
123.45653	0.6
127.47294	0.6
139.51236	0.6
147.08006	1.7
149.09598	1.8
161.09680	0.9
163.11186	2.6
168.83632	0.6
187.11162	2.6
242.89174	0.8
265.12308	0.9
279.13763	0.8
280.14526	1.1
309.22156	1.8
314.46188	0.7
322.19122	1.1
337.21695	100.0
338.21988	10.8
379.09256	0.8
415.10535	1.5
415.23059	14.2
416.23776	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	415.3215
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
59.01239	1.5
60.14471	0.7
69.29877	2.5
69.30315	3.3
69.78952	0.7
94.86998	0.6
96.95874	0.6
98.19797	0.9
101.96568	0.7
152.99471	0.9
167.29398	0.8
272.09512	0.6
279.23251	2.2
306.28970	0.6
415.32150	100.0
416.32480	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	415.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.7
65.07851	0.2
71.01263	0.4
73.44460	0.3
75.00665	0.3
87.77651	0.3
89.02314	0.6
137.92563	0.3
229.45897	0.3
272.06274	0.3
279.23224	0.8
279.26743	0.5
323.25858	0.4
341.26938	0.5
406.25650	0.3
415.32150	100.0
416.32483	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	415.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46993	0.3
59.01239	0.6
70.61353	1.4
74.21022	0.4
89.02323	0.8
101.02337	0.4
105.59884	0.4
142.31996	0.4
144.79301	0.3
152.99550	0.6
279.23309	2.6
415.32144	100.0
416.27075	0.8
416.32449	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	417.1189
Annotation	CHEBI:68138
Peak:m/z	Relative Intensity
52.52671	0.2
59.01247	0.9
67.01751	0.1
69.03315	0.1
69.47186	1.0
71.01237	1.0
73.02800	0.2
74.02368	0.1
80.43711	0.1
85.02833	0.6
87.00774	0.2
89.02306	0.3
91.76913	0.1
93.03335	1.5
95.01255	0.2
101.02322	0.5
105.56986	0.1
108.02024	0.2
113.02351	0.3
117.03326	0.3
119.04916	0.4
121.02839	0.4
142.70280	0.1
143.04926	1.8
149.02269	0.2
150.55150	0.1
167.04980	0.6
168.05716	0.2
169.06503	2.8
170.06764	0.2
171.04468	0.2
173.04385	0.3
181.06476	0.3
182.07289	0.3
183.08020	1.1
191.05527	1.1
193.06471	0.6
195.04524	0.3
196.05186	1.9
207.02673	0.1
208.05174	0.3
209.06015	3.8
210.06773	1.5
211.07574	100.0
212.07915	6.6
237.05589	0.7
255.06595	21.3
256.06964	1.7
293.61322	0.2
297.12424	0.4
417.11829	0.5
417.19843	0.2
435.80026	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	417.1191
Annotation	CHEBI:68138
Peak:m/z	Relative Intensity
50.30521	0.1
54.80548	0.1
57.93023	0.1
59.01243	1.0
64.33699	0.1
65.55049	0.1
69.03323	0.2
71.01244	0.9
71.38692	0.2
73.02841	0.2
85.02843	0.5
87.04270	0.1
89.02321	0.3
93.03341	1.5
97.59775	0.1
99.00794	0.1
101.02312	0.4
108.02074	0.2
113.02313	0.3
117.03343	0.2
119.04888	0.4
121.02857	0.4
123.04343	0.1
143.04926	1.8
147.02853	0.2
148.45050	0.1
159.01199	0.1
164.07814	0.2
167.04964	0.4
168.05692	0.2
169.06508	3.3
171.04472	0.2
171.10237	0.2
173.04514	0.2
181.06520	0.4
182.07417	0.2
183.08046	1.2
191.05527	1.0
193.06503	0.8
195.04480	0.3
196.05222	1.4
208.05289	0.2
209.05998	4.4
210.06741	1.4
211.07576	100.0
212.07912	6.3
237.05476	0.7
255.06595	22.0
256.06934	1.6
417.12003	1.0
417.21057	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	417.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.2
57.03334	2.5
58.00455	1.6
59.01246	40.6
69.03307	2.0
69.51901	7.8
71.01253	43.7
72.99165	4.4
73.02818	13.4
75.00726	2.2
79.63731	1.1
81.03319	1.2
83.01239	5.1
85.02821	12.0
87.00749	4.0
89.02312	45.0
90.02643	1.1
93.03329	3.4
95.01194	1.2
95.04887	1.9
97.02830	2.6
99.00753	3.9
101.02313	31.0
105.03333	1.2
107.04894	2.0
112.03896	1.2
113.02320	11.8
119.03390	3.3
121.02921	1.2
123.04405	91.0
124.04706	3.6
125.02299	2.5
129.01811	2.3
131.03383	13.9
143.03416	2.2
143.07014	3.6
149.04460	41.7
150.04878	1.1
155.10654	1.3
161.04433	2.6
165.19006	1.0
165.62357	1.0
182.08133	2.0
191.05536	11.1
194.11729	5.1
198.25128	1.0
217.10727	4.5
223.46410	1.0
256.11862	6.8
267.09158	1.0
285.09784	60.9
286.10141	4.1
417.13943	100.0
418.13971	8.9
433.42007	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	417.1399
Annotation	Itoside I
Peak:m/z	Relative Intensity
51.68522	0.4
53.00869	0.3
54.36365	0.4
55.01752	0.9
57.03307	0.8
58.00464	0.7
59.01248	24.8
60.01575	0.6
64.05731	0.4
64.80701	0.4
65.03835	3.1
67.01746	0.9
68.99680	5.2
69.03326	13.5
69.05815	0.4
71.01250	13.0
72.99178	2.8
73.02814	1.8
75.00744	0.6
78.94949	0.3
81.03329	8.5
82.88388	0.4
83.01259	0.7
85.02816	4.4
85.52294	0.4
87.00742	1.3
89.01811	0.8
89.02319	10.1
91.05412	4.7
93.03344	1.5
95.01262	2.0
95.04890	0.8
97.02827	0.5
99.00749	1.2
101.02323	14.9
102.02654	0.5
105.01821	0.5
107.04913	0.4
109.02831	100.0
109.06467	13.9
110.03166	3.4
110.06847	0.4
111.00760	0.5
111.04415	0.4
112.00305	0.4
113.02338	4.9
113.06081	0.4
119.03382	4.6
119.04930	0.5
121.02795	0.9
123.03653	0.4
123.04383	2.6
123.08019	0.4
125.02325	1.0
127.03905	1.2
131.03384	0.6
133.06470	0.5
135.04387	1.0
137.05994	0.7
139.00272	0.4
139.03906	0.6
141.05460	1.9
143.03452	0.7
147.02875	0.7
148.38211	0.4
149.04410	0.6
151.07532	1.5
153.01868	2.2
153.05476	1.9
155.03419	3.0
159.02907	0.9
159.04387	0.5
161.04465	5.8
161.05980	2.3
165.09055	1.1
169.10512	0.4
173.04529	1.0
177.05473	0.8
179.05519	1.4
179.07019	9.4
185.04468	6.0
191.01826	0.6
191.05490	2.0
193.08633	0.9
205.04985	1.1
223.06271	0.5
237.04028	0.8
237.07683	4.0
255.08679	2.8
318.40103	0.4
341.12381	14.8
342.12802	0.9
343.21246	0.5
357.15552	2.5
417.13843	10.5
418.14166	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	417.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
58.00453	1.1
58.03677	0.8
59.01249	100.0
60.01592	1.2
69.03323	8.8
69.80026	4.1
69.80436	1.7
71.01248	17.6
72.99165	1.4
81.03326	35.2
83.01255	1.4
85.02841	3.0
87.00761	4.0
89.02309	20.1
101.02339	7.2
107.06564	0.9
113.02332	5.8
119.03396	7.9
121.47862	0.9
125.02328	58.6
125.05968	1.5
126.02637	2.2
128.24063	1.0
143.03429	1.4
149.02328	0.9
151.07576	3.6
161.04446	2.6
167.07005	1.4
176.92366	0.8
179.05536	5.6
181.08600	2.2
187.89304	0.8
195.06557	10.0
205.94780	0.9
237.07512	1.1
357.11969	7.3
410.76056	0.9
417.18240	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	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20908	6.2
52.32059	6.5
59.01247	92.5
71.01252	81.3
71.58057	12.3
73.02810	18.0
85.02831	15.9
87.00727	7.5
89.02317	100.0
101.02299	55.2
103.87354	7.9
113.02313	14.3
119.03394	10.4
131.03375	29.0
134.02342	6.8
149.04439	80.7
161.05991	7.4
173.51959	7.6
179.03322	7.5
191.05495	32.4
211.07629	8.5
237.11038	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	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74621	0.7
55.01752	0.9
55.84470	0.6
57.03315	1.0
58.00457	0.8
59.01247	100.0
60.01582	1.2
69.03321	1.0
71.01248	20.2
71.59093	0.8
72.99181	2.8
73.02831	2.1
75.00740	1.3
79.95615	1.3
83.01255	1.6
85.02821	4.7
87.00752	2.4
89.02314	20.2
93.03343	4.6
94.97947	1.1
95.01268	0.9
97.02771	0.7
99.00767	0.9
100.36137	0.7
101.02321	9.3
109.02824	0.8
113.02324	7.0
119.03393	6.6
120.99504	0.8
121.02847	0.9
131.03448	0.9
135.04427	1.8
143.03394	1.7
147.04552	0.7
155.03471	0.7
161.04478	1.4
173.04448	2.3
173.05936	0.8
179.05577	3.0
191.05531	12.9
211.07640	2.5
217.08746	0.7
237.11334	1.6
237.14854	1.3
255.16011	1.1
275.37991	0.8
297.13443	0.8
323.78006	0.8
357.09607	1.3
417.20966	8.3
417.26065	1.3
418.21597	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	417.1551
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
50.13559	0.1
51.04325	0.1
53.00179	0.1
55.38209	0.1
57.03314	0.1
59.01247	2.0
65.00191	0.3
67.01762	0.4
68.99706	0.3
69.03327	0.4
69.58759	0.9
71.01255	1.4
72.99187	0.2
73.02809	0.3
74.98971	0.1
75.00746	0.1
76.50829	0.1
76.67490	0.1
81.03337	0.4
83.01264	0.2
84.02016	0.3
85.02827	0.9
87.00744	0.3
89.02337	0.6
92.16644	0.1
93.03315	0.7
95.01259	1.2
95.04888	0.4
97.02829	0.2
101.02311	0.9
105.03339	0.2
107.04876	0.3
108.02046	0.2
109.02836	3.3
111.00770	0.6
113.02330	0.4
118.97986	0.1
119.03416	0.3
121.02847	1.0
121.06462	0.3
123.00759	4.1
123.04409	0.7
124.01581	0.7
125.02322	1.2
131.04939	0.2
133.02852	0.5
133.06508	0.1
135.00778	0.2
135.04414	0.4
136.01549	0.4
137.02338	15.2
138.02809	0.3
139.00259	0.7
139.03894	1.0
145.02800	0.2
147.04396	0.4
149.02361	1.6
149.06003	0.4
150.03174	0.8
151.00269	23.6
151.03888	1.8
152.01082	2.6
152.04691	3.3
153.01833	0.6
153.05391	0.3
154.02650	0.5
159.04396	0.6
160.01564	0.1
160.05197	0.3
161.02325	0.5
161.04578	0.2
162.03110	0.2
163.03932	1.0
163.69397	0.1
163.72530	0.1
164.04665	0.5
165.01826	0.9
165.05547	0.2
166.02626	63.7
167.03326	4.5
168.03893	0.1
173.02368	0.4
173.04457	0.4
174.03163	0.3
175.03937	1.3
175.07535	0.3
176.01082	0.3
177.01855	3.7
177.05487	0.5
178.02605	0.6
179.03445	0.8
179.07057	0.4
181.04985	100.0
182.05312	3.9
184.03624	1.0
187.03822	0.2
188.04697	0.3
189.05565	0.3
190.02641	0.4
190.06252	1.1
191.03448	0.9
191.05551	1.4
191.07025	0.2
192.04225	1.3
193.04977	1.1
194.02226	0.2
195.02892	0.7
202.02652	0.2
203.03450	0.5
204.04109	0.3
205.05006	1.4
205.08640	2.2
206.05608	0.2
207.02995	0.2
207.06573	1.6
209.04445	0.7
211.07550	0.2
215.06969	0.1
217.05043	0.2
218.05775	0.2
219.06598	0.6
220.07236	0.2
221.04353	0.3
223.06064	0.3
224.03197	0.3
225.07571	0.1
227.07269	0.2
233.08180	0.3
243.06618	0.3
249.07768	0.2
255.06488	0.2
259.09729	0.1
270.05197	0.1
281.04608	0.3
283.06253	0.2
283.09445	0.2
285.07794	0.2
291.03070	0.1
299.05551	0.2
301.07199	0.7
314.08109	0.3
316.09537	0.3
329.10318	0.5
341.10034	0.3
343.21310	0.2
356.12775	0.3
357.09689	0.5
359.07288	0.2
359.11401	2.2
360.11740	0.2
369.09750	0.2
371.14975	0.9
372.08505	0.2
387.10809	16.6
388.11166	1.6
402.13171	12.5
403.13428	1.1
417.15533	29.6
418.15903	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97402	0.4
55.01756	0.9
57.03320	1.7
58.00454	1.3
59.01247	100.0
60.01584	0.6
63.20972	0.4
67.01769	0.5
68.99694	0.4
69.03328	2.0
71.01249	36.0
71.38922	0.8
72.82654	0.4
72.99180	3.4
73.02818	4.0
75.00742	0.9
81.03320	3.1
83.01248	2.2
84.00909	0.4
85.02817	9.4
87.00757	3.4
89.02313	30.7
93.03323	0.6
95.01264	2.4
95.04919	0.9
97.02828	0.7
99.00763	2.3
101.02319	21.8
102.02686	0.5
109.02851	0.4
113.02325	14.5
114.02742	0.4
119.03381	13.2
123.04444	0.7
125.02325	7.6
131.03430	1.4
141.05516	0.4
143.03415	4.4
149.04428	0.8
151.07687	0.5
159.02913	1.8
161.04463	22.7
173.04482	0.5
177.09114	5.0
179.05551	7.3
179.06958	0.3
181.08693	0.4
183.05307	0.4
191.05527	2.6
195.06638	1.9
195.10208	2.1
205.03436	0.8
214.12762	0.5
237.11325	0.4
255.12587	0.5
266.52808	0.5
357.11774	0.8
357.15515	23.3
358.15891	1.9
417.12726	0.6
417.17688	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	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57605	1.4
55.01743	2.4
57.03318	4.5
59.01247	100.0
69.03324	2.1
71.01247	60.7
71.58945	2.7
72.99176	5.6
73.02816	16.1
75.00742	4.4
79.13428	1.3
80.55959	1.2
83.01243	5.0
85.02821	25.3
87.00751	5.2
89.02316	13.2
93.03335	3.2
95.01260	4.0
97.02830	2.4
99.00757	8.1
101.02318	38.7
105.01796	3.7
109.02843	1.6
111.08002	2.6
113.02320	26.2
119.03367	3.3
123.04395	2.0
125.02335	3.4
127.46333	1.2
129.01837	2.1
135.02911	1.9
139.07535	33.5
143.03415	5.1
147.02907	2.8
159.02884	7.6
161.04451	80.3
168.47154	1.3
173.04448	1.7
181.08682	1.6
189.89940	1.4
191.05513	9.2
193.12317	3.6
195.10185	9.5
205.03490	3.2
217.10699	1.7
237.11263	3.0
256.11716	2.0
327.91769	1.3
357.15491	24.5
399.16846	1.6
417.12708	1.3
417.17706	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	417.228
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
50.44620	0.9
59.01245	8.0
71.01247	2.9
73.02807	1.4
81.03355	1.3
108.02045	1.8
109.02854	5.1
113.50776	1.3
121.02904	1.3
121.20702	1.1
122.03638	5.6
123.04367	1.5
124.01514	4.2
125.02289	2.1
133.02859	6.0
135.04407	35.5
136.04715	1.4
137.02318	1.9
147.04445	5.4
148.01547	2.6
148.05185	20.2
149.02377	2.6
149.05959	1.8
154.02631	2.2
159.04471	1.1
161.05887	1.3
163.03920	8.0
171.10199	2.5
173.05965	1.8
174.06712	3.2
175.07449	1.7
177.05475	1.9
187.07513	4.8
201.05490	2.8
201.11220	3.2
215.10728	5.9
217.12274	18.9
218.12630	1.6
245.11790	23.7
246.12187	2.5
247.13225	4.5
275.01447	1.9
309.20514	1.4
320.12674	1.5
330.14426	1.4
399.21637	10.1
400.22113	1.4
417.22757	100.0
418.23172	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	417.2492
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
51.41376	0.4
54.70150	0.4
55.01756	6.2
56.03203	0.5
57.03322	5.7
58.00467	3.2
59.01249	49.2
65.63927	0.4
67.01750	0.5
68.99677	0.7
69.03329	1.6
69.53266	1.2
69.53690	2.3
71.01250	100.0
72.01579	1.3
72.99173	2.9
73.02817	25.3
75.00758	1.9
81.03325	0.6
83.01257	10.2
84.02043	0.6
85.02821	42.8
86.03153	0.5
87.00739	4.1
87.04390	3.3
89.02315	29.2
93.03354	0.5
95.01262	7.9
97.02827	2.2
98.20512	0.7
99.00755	13.6
101.02319	61.3
102.02616	0.7
111.00768	1.5
113.02328	42.4
114.02666	0.8
115.03902	0.5
119.03384	13.6
125.02325	2.3
129.01836	1.5
131.03409	1.6
143.03391	6.2
149.04521	0.8
159.02905	10.3
161.04462	52.0
162.04836	1.7
167.37766	0.5
171.22971	0.5
173.04500	0.7
179.03307	0.4
179.05548	3.2
191.05566	3.4
205.03551	1.4
237.14911	0.4
255.19662	2.5
271.51788	0.4
289.07050	0.6
297.20764	1.2
339.22021	0.5
363.54395	0.6
417.25107	31.5
418.25720	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	417.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.9
57.03322	4.6
57.70139	0.3
58.00467	2.8
59.01249	66.5
60.01588	0.4
67.01764	0.4
68.99673	0.3
69.03355	0.7
71.01250	100.0
72.01586	1.3
72.99176	4.1
73.02816	23.8
74.03172	0.4
75.00740	1.0
81.03359	0.8
83.01253	10.9
84.02072	0.5
84.61236	0.3
85.02819	35.8
86.03157	0.4
87.00737	4.7
87.04363	1.8
89.02312	39.6
93.03355	0.4
95.01254	8.1
97.02817	1.8
99.00755	10.8
101.02316	69.9
102.02666	1.2
102.87143	0.3
111.00758	0.6
112.01553	0.4
113.02322	42.9
114.02669	1.0
115.03897	0.4
119.03381	17.0
125.02308	2.3
129.01825	1.4
131.03386	2.1
143.03389	6.7
149.04459	1.3
159.02901	8.8
160.03212	0.3
161.04456	49.5
162.04805	1.3
179.05519	5.8
191.05540	1.2
191.12402	0.4
205.03479	1.3
255.19629	2.8
347.46237	0.4
409.02899	0.3
417.25018	44.3
418.25363	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	417.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	7.7
57.03321	5.3
58.00466	3.1
59.01249	86.9
60.01584	0.8
67.01726	0.5
68.99689	0.8
69.03333	1.2
69.50603	0.8
69.51011	2.9
71.01250	100.0
72.01598	1.6
72.99168	5.6
73.02816	24.8
75.00751	1.8
83.01248	13.2
85.02821	37.6
87.00758	4.6
87.04389	2.2
89.02313	51.0
90.02679	0.6
95.01259	6.0
97.02834	2.2
99.00757	9.7
101.02319	82.8
101.85970	0.5
102.02670	1.1
107.27717	0.4
111.00745	0.7
113.02325	39.7
114.02678	0.9
119.03383	24.2
125.02373	2.0
129.01852	1.4
131.03403	2.8
143.03397	7.7
147.66542	0.5
149.04515	2.4
152.71228	0.5
159.02893	7.1
161.04457	41.6
162.04863	1.1
179.05504	9.0
191.05688	0.5
205.03418	0.8
255.19673	3.0
283.01993	0.5
324.70908	0.5
417.20123	1.3
417.25073	20.1
418.25256	2.6
421.12097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.2
57.03326	5.0
58.00457	3.8
59.01246	83.6
60.36275	0.7
68.87284	0.8
69.93642	1.0
71.01250	100.0
71.45760	1.6
72.01556	1.0
72.99185	4.9
73.02814	20.5
74.03166	0.7
75.00739	1.3
83.01262	9.5
85.02814	34.5
86.03116	1.1
87.00764	4.2
87.04379	2.4
89.02311	57.6
90.02649	1.0
95.01253	7.5
97.02824	1.7
99.00747	10.4
101.02318	69.7
102.02649	1.7
111.00801	0.9
113.02325	39.8
114.02652	1.1
117.85217	0.9
119.03383	23.0
125.02360	1.2
129.01819	0.8
131.03366	3.1
143.03395	6.2
149.04433	1.6
159.02898	6.9
161.04453	39.8
179.05527	10.0
227.14955	0.9
255.19543	3.9
273.17560	0.8
417.24890	31.7
418.25500	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	417.3009
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
50.65989	0.5
54.40802	0.6
56.38638	0.7
59.01258	3.1
69.73735	0.9
69.74147	2.3
71.01262	1.8
71.04902	1.3
75.11066	0.5
85.02818	0.6
89.02366	0.7
98.19738	0.6
121.02843	3.3
154.51443	0.6
177.09102	0.7
231.04739	0.6
233.11761	1.4
274.48477	0.6
305.17270	0.8
331.26300	0.8
353.28488	1.6
355.26395	2.1
357.28061	1.2
371.29395	2.1
373.31061	19.9
374.31461	2.0
387.28891	1.0
399.29099	1.8
417.30060	100.0
418.30417	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	419.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53689	0.3
57.72159	0.4
59.01241	0.8
71.01250	0.4
71.06778	0.4
72.47689	0.3
81.54789	0.3
93.03337	0.7
96.95887	1.5
97.57549	0.4
105.03326	0.9
108.02055	1.1
121.02808	1.0
123.04399	1.3
126.68633	0.3
132.01924	0.6
133.02829	2.4
148.01570	0.4
149.02332	1.6
165.03308	0.3
176.01067	8.7
177.01845	100.0
178.02194	4.2
241.00212	3.0
265.09857	0.5
305.45401	0.4
339.07178	27.1
340.07449	1.6
355.37076	0.4
419.02985	3.3
420.03265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	4.1
57.03299	5.1
59.01252	100.0
67.01770	22.1
68.99685	28.5
69.03310	8.8
71.01250	71.7
71.38297	9.9
72.80418	3.9
72.99167	21.7
73.02808	6.3
75.00766	5.1
81.03324	6.7
83.04862	5.8
85.02827	50.6
87.00740	15.9
88.61887	4.4
89.02319	74.5
93.03339	23.7
95.01253	15.7
95.04890	4.7
97.02807	5.5
97.06454	8.7
99.00747	5.6
101.02318	89.1
107.04940	12.8
109.02860	7.5
111.00770	13.6
111.04387	8.8
113.02332	24.6
118.97965	3.9
119.03369	26.9
119.04907	8.0
121.02856	12.1
123.04397	16.7
127.03902	34.9
134.03584	20.6
135.04407	31.2
137.02307	30.0
139.00279	9.0
143.03400	7.5
149.05994	8.8
150.67424	4.0
151.03918	14.5
153.05499	5.7
155.03404	32.2
161.02316	7.9
161.04517	6.6
163.03856	22.5
165.01834	24.1
165.05479	3.9
169.04941	6.0
173.04456	12.3
176.03354	6.1
178.02652	6.5
179.03445	19.9
179.05505	9.7
180.04150	15.0
181.04843	5.2
183.06480	5.0
191.05545	57.8
192.05899	5.5
193.04993	22.9
195.06580	44.4
201.11227	12.3
203.10770	6.8
207.02930	12.3
225.04063	7.3
225.07582	15.0
229.08408	6.6
239.05579	19.3
239.12756	5.2
249.23434	4.5
281.09277	13.6
291.08685	5.9
311.43604	4.5
313.06860	4.7
361.60156	4.3
371.11343	11.7
387.09079	15.8
401.11163	4.6
419.11795	38.5
419.18054	23.0
419.26392	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	8.2
58.00479	3.4
59.01248	100.0
67.01756	11.2
68.99687	15.5
69.03323	5.1
69.37054	23.0
71.01252	70.2
72.99181	9.8
73.02806	5.8
74.98985	2.5
75.00756	4.3
81.03319	3.4
83.01264	4.1
83.04856	3.4
85.02814	52.2
87.00741	14.6
89.02312	75.9
93.03330	16.7
95.01250	7.7
95.04919	6.2
97.02824	3.0
97.06467	3.7
99.00757	7.1
101.01688	4.2
101.02323	59.7
102.02691	3.2
107.04919	16.6
107.05527	2.0
109.02832	6.8
111.00753	5.2
111.04396	11.9
113.02331	27.3
119.03396	27.8
119.04898	7.9
121.02827	8.0
123.04385	6.5
127.03912	31.9
131.03413	2.5
133.02869	3.8
135.04399	23.3
137.02345	32.8
137.05984	8.2
139.00261	11.2
143.03391	4.9
149.04463	3.3
151.03897	7.1
151.07564	2.9
153.05501	3.3
155.03424	4.5
161.02432	3.3
161.04465	6.1
162.35919	2.4
163.03899	13.6
165.05440	7.0
169.01286	4.7
175.02504	2.6
176.01042	2.7
177.05505	5.8
179.03458	13.1
179.05499	10.1
181.04953	6.1
191.05513	12.6
195.06551	39.8
207.02875	11.5
213.43398	2.6
221.04449	4.3
239.05560	22.0
249.06323	3.4
266.07034	3.1
267.07275	8.7
281.09253	5.1
316.67087	2.5
323.01715	2.7
375.12952	2.7
377.18320	2.8
387.09167	15.6
419.11688	27.2
419.19064	12.0
420.11969	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	419.1347
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01749	0.6
57.03312	0.5
59.01250	8.0
59.45459	0.4
65.03836	0.9
67.95539	0.4
70.93127	1.0
71.01249	6.0
72.99168	0.6
73.02808	1.2
83.01257	1.0
85.02829	3.2
87.00743	0.8
89.02315	3.2
93.03329	4.5
95.01243	0.6
95.04887	0.4
99.00735	0.8
101.02334	3.7
106.04126	11.8
107.04912	27.7
108.02035	3.6
108.05244	0.9
109.02831	0.7
111.04322	0.5
113.02317	2.1
117.62182	0.4
119.03366	0.8
119.04917	1.7
120.99513	0.4
121.02856	4.0
138.03128	1.1
150.03061	0.6
150.75922	0.4
161.04431	0.5
178.02644	0.4
182.02219	0.8
191.05518	2.0
211.07578	11.7
212.07939	0.8
213.09151	71.3
214.09502	4.9
218.92621	0.4
257.08139	8.5
257.10632	0.6
257.17407	0.7
258.08563	0.6
419.13449	100.0
419.22705	2.9
420.13773	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	419.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	10.3
59.01248	86.4
64.24651	2.2
67.01752	8.0
68.99687	6.7
69.03324	40.3
71.01250	80.7
71.58598	4.8
72.99187	15.9
73.02813	4.9
75.00742	35.4
75.46087	2.4
81.03312	3.4
83.01252	4.9
83.04870	5.3
84.42132	2.3
85.02820	53.0
87.00745	23.7
89.02310	45.2
93.03320	8.3
95.01255	13.7
97.02821	3.0
97.06449	5.1
99.00757	21.4
101.02322	26.5
103.00233	4.1
107.04906	4.2
108.02007	3.1
109.02815	3.8
111.00768	5.3
111.04361	6.2
113.02324	69.5
114.74644	2.6
115.00225	4.9
117.01814	6.8
119.03387	15.0
121.02829	4.5
121.06460	2.9
125.09595	10.7
127.03900	9.3
129.01826	6.2
132.04460	4.6
134.03665	5.2
135.04405	5.0
137.02368	5.0
137.05980	7.7
139.03883	2.6
143.03389	3.4
143.07040	6.2
151.07512	3.1
155.03372	9.0
160.03957	3.2
161.02480	3.1
161.04471	3.9
163.03847	2.7
165.01810	7.5
169.08611	31.2
173.04471	7.3
175.02409	9.4
176.01091	7.1
176.03421	2.5
179.03394	4.6
179.05524	5.9
180.04221	3.1
181.05008	3.0
181.57091	2.7
186.03082	2.7
187.06027	4.2
191.05550	19.5
192.06499	6.5
193.04997	7.8
195.06549	7.6
195.10153	4.8
197.08221	3.7
203.07162	2.8
204.02925	3.8
205.07167	2.7
213.11211	7.3
215.11761	2.5
225.07628	5.8
228.05310	6.8
231.05040	3.0
236.05573	11.0
239.09160	10.0
243.07597	5.7
249.03743	4.4
249.06120	41.1
250.06244	3.6
266.07004	5.1
267.07202	91.1
271.07358	2.6
281.09283	5.9
293.33118	3.1
299.10361	15.5
343.09332	3.4
419.10797	23.0
419.15491	100.0
420.15662	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	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53531	0.7
57.03323	1.8
58.00471	1.0
58.01117	0.7
59.01250	100.0
62.55061	0.6
69.03333	1.1
69.58253	0.7
71.01251	14.2
71.67860	0.7
72.99186	5.3
73.02822	2.6
75.00742	14.4
78.66432	0.7
83.01292	0.7
85.02809	5.6
87.00758	2.6
89.02316	10.2
93.03366	1.3
95.01304	1.4
96.37570	0.7
96.95361	0.9
96.95905	4.7
97.02834	0.8
99.00801	2.0
101.02315	10.0
110.61657	0.7
111.00758	0.9
113.02322	6.5
119.02698	0.8
119.03364	4.7
120.74555	0.8
123.04432	1.0
127.03901	1.1
129.01807	1.0
137.02380	0.8
143.03430	1.2
151.00319	0.7
161.04475	9.8
165.01874	2.5
166.02606	2.3
169.01376	0.9
169.08789	0.8
179.03482	0.8
179.05620	2.7
180.04150	2.1
181.05045	2.9
181.08900	0.7
191.05554	2.7
194.11815	1.0
195.06586	4.2
195.12268	0.9
197.08278	1.0
227.09027	0.7
239.05437	1.0
318.40445	0.8
341.35828	0.7
343.08493	1.4
344.08862	0.9
358.10825	1.9
359.12460	1.8
359.17056	17.0
359.21185	1.1
360.17615	1.8
370.43323	0.8
373.13101	2.2
404.14777	2.4
419.11902	8.4
419.18326	5.6
435.54163	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.8
57.03326	1.4
58.00476	0.7
59.01249	100.0
60.01573	1.1
69.03306	0.6
71.01252	11.2
71.04888	9.6
71.58894	0.7
71.59298	1.1
72.99185	1.5
73.02820	2.8
73.15995	0.5
75.00749	0.8
83.01263	1.5
83.04910	0.8
85.02816	5.1
87.00758	1.4
89.02315	7.6
93.03359	2.0
97.02850	0.8
99.00780	1.2
101.02319	7.4
109.63390	0.7
111.00792	0.9
112.98660	0.7
113.02325	5.7
115.00280	0.8
116.96896	0.5
119.03365	3.9
120.34669	0.5
120.99533	2.9
122.03607	3.9
125.02365	1.0
135.04427	1.1
142.99745	1.0
143.03401	0.7
143.24911	0.6
143.30719	0.6
149.04475	1.0
153.12749	2.9
153.99019	0.7
161.04478	2.7
171.08081	2.2
173.04530	1.5
179.03436	1.4
179.05530	0.9
179.10741	1.7
191.05536	8.7
194.05826	1.0
195.13974	0.8
197.11761	62.1
198.12086	3.6
201.11189	0.7
209.08037	1.4
209.11784	1.3
213.09145	23.1
214.09462	1.4
224.57132	0.6
227.12898	1.0
238.14310	0.7
239.07080	1.3
239.12958	1.9
239.16624	1.6
257.08212	1.2
257.14078	0.9
257.17563	0.9
345.23251	0.8
419.13678	12.1
419.22531	11.8
419.27908	1.1
420.13684	1.5
420.23114	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	419.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82378	21.7
59.01235	92.6
64.43985	21.7
66.96301	25.3
71.58495	39.4
86.43672	23.8
88.98659	100.0
89.02313	42.3
93.03312	37.1
96.95895	31.8
111.04392	23.6
112.36673	23.4
135.04315	33.7
191.05496	96.9
236.10698	30.0
260.10257	90.6
317.44867	25.6
374.17871	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	419.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79988	29.8
59.01243	84.2
71.59090	63.9
87.00731	40.6
88.05079	31.9
88.60851	28.7
92.50859	29.9
94.92376	74.8
96.95863	61.0
98.18002	33.1
108.56305	31.1
114.66190	26.6
169.93192	26.2
171.10388	36.4
183.59457	30.5
274.02695	31.7
365.20654	31.9
383.22125	38.6
401.23343	100.0
408.81467	32.6
419.23993	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	419.2285
Annotation	Staphylionoside I
Peak:m/z	Relative Intensity
55.01755	1.2
57.03318	2.1
58.00461	1.5
59.01249	59.8
69.03305	1.4
71.01249	33.2
72.99174	3.1
73.02814	2.1
75.00746	0.7
83.01264	1.7
85.02825	7.1
87.00773	3.0
89.02313	33.7
93.03342	1.2
95.01262	2.3
96.95883	0.8
97.06458	0.6
98.19833	1.4
99.00764	1.0
101.02316	20.6
113.02324	10.5
119.03381	14.5
121.02789	0.7
125.02314	0.9
130.22032	0.6
131.03380	2.8
141.12720	1.2
143.03371	1.7
149.02361	3.8
149.04449	2.6
150.03123	5.1
161.04454	1.9
163.14839	2.6
164.04620	1.5
165.05470	5.5
173.04497	0.8
177.16420	1.0
179.05507	3.3
179.06960	0.8
191.05524	4.3
193.01376	0.9
195.06511	3.1
195.17468	2.6
208.03697	2.2
220.83989	0.6
223.06068	5.1
239.16481	28.7
240.16771	1.7
241.17967	1.2
257.17447	1.4
292.00174	0.7
299.56915	0.6
401.25931	0.8
419.22827	100.0
420.23178	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	419.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03304	0.9
58.00447	0.9
59.01247	9.1
69.03309	0.8
69.30057	0.5
69.30457	2.0
71.01247	11.9
71.04934	0.3
72.99167	1.1
73.02814	2.9
83.01241	2.3
85.02816	4.7
85.06457	1.3
87.00727	1.1
87.21658	0.2
88.85184	0.2
89.02303	1.8
95.01250	0.9
97.02828	0.4
98.19775	0.3
99.00747	1.2
101.02309	5.8
111.00745	0.8
113.01711	0.3
113.02325	2.7
119.03355	0.3
124.01535	0.5
125.02310	0.4
155.14310	0.8
191.05498	0.9
211.20615	1.0
239.20143	1.8
257.21170	23.7
258.21448	1.8
269.21033	0.3
271.22791	0.3
279.90881	0.2
299.22284	0.4
401.25412	2.8
402.25754	0.4
419.26447	100.0
420.26779	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	420.275
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
56.08725	0.5
59.01241	1.0
71.58933	0.6
71.59325	0.6
87.00757	0.7
88.00278	1.3
88.98660	3.8
89.02310	0.8
95.33852	0.5
97.02837	1.3
121.02834	100.0
122.03194	4.0
128.29559	0.4
129.60132	0.4
138.43520	0.5
143.89388	0.5
178.11432	0.5
191.05505	0.6
193.08611	0.4
262.11874	1.7
272.63193	0.5
309.20840	0.6
331.18738	1.3
384.13361	0.5
420.27521	55.8
420.74979	0.5
421.22537	0.9
421.27835	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	22.7
71.01228	9.5
71.45578	8.3
85.33286	5.1
89.02308	8.4
98.02489	5.4
101.02330	15.5
155.10612	7.2
223.23907	5.1
233.39044	5.0
266.84000	4.9
322.25357	6.4
331.65512	5.0
421.16287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41809	11.0
59.01247	40.9
64.14759	11.8
69.60520	42.2
69.60939	42.0
74.22481	10.4
75.79873	10.8
127.63786	12.5
181.63322	10.7
198.56607	11.3
421.16071	100.0
421.20853	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36612	2.2
54.39472	2.4
57.03320	23.1
59.01248	100.0
69.72408	3.1
69.72816	13.5
71.01255	43.9
72.99187	5.6
73.02821	6.8
81.03310	2.8
85.02821	7.8
86.67694	2.5
87.00726	7.0
89.02313	51.5
95.01227	3.0
99.04412	22.5
101.02338	25.0
113.02309	16.5
113.05947	6.1
119.03392	22.1
125.02339	14.6
131.03371	2.6
135.04381	4.5
143.03415	4.8
149.02309	9.2
161.04466	8.8
163.03851	3.1
164.04654	8.2
179.05507	23.1
179.06944	5.8
193.01360	4.9
193.05070	2.8
199.09676	3.1
208.03723	12.1
223.06055	41.0
259.11783	9.1
263.07822	4.0
267.51599	2.7
421.13055	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	421.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.6
59.01249	100.0
60.01577	1.5
61.01691	1.5
61.98681	1.8
71.01254	10.8
71.04936	1.4
72.99186	1.7
73.02817	3.3
74.98973	3.9
75.00738	2.9
79.95616	2.0
81.23362	1.3
83.03800	1.2
85.02831	5.7
86.47638	1.2
87.00759	4.8
89.02319	4.9
93.03352	4.0
96.95895	1.9
98.20570	2.4
99.00687	1.4
101.02298	7.7
102.98479	3.0
108.02042	2.3
109.02851	4.2
113.02328	5.3
117.01846	1.2
118.97978	2.6
119.03403	2.0
120.99532	9.4
121.02811	2.0
122.03667	1.3
123.04479	1.9
128.03413	1.4
129.01822	1.2
133.02866	3.1
134.03616	11.5
135.04405	3.8
136.01546	19.1
136.99023	4.7
137.02330	15.9
139.11159	1.7
146.04471	3.3
150.03113	1.4
151.03937	3.8
161.04440	2.0
165.03944	4.1
167.07155	1.3
173.04474	4.4
177.01828	3.7
178.02623	4.9
179.03423	2.6
191.05542	13.8
197.11818	2.4
199.13327	86.4
200.13617	4.4
229.08562	4.5
231.10190	2.5
233.08029	4.0
241.14325	1.5
259.19104	1.9
273.07794	1.2
283.04807	2.7
290.16974	1.1
293.10037	1.6
306.07410	6.8
421.05838	2.1
421.14859	3.1
421.19312	3.1
421.24396	2.7
440.60898	1.6
449.52371	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	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02364	0.6
59.63392	0.5
69.41156	4.8
78.95770	29.8
80.55842	0.5
84.37625	0.6
98.20558	1.3
100.93977	0.5
110.98407	53.5
133.56522	0.5
152.99460	4.4
167.01016	1.4
185.02118	100.0
186.02470	2.4
220.79224	0.6
221.58516	0.5
253.21692	27.7
254.22069	2.5
280.68121	0.6
297.93658	0.6
404.94318	0.6
421.23727	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	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80123	0.5
61.61176	0.5
63.31754	0.6
65.51263	0.5
70.34409	2.6
78.95770	26.9
80.96388	19.4
80.96754	0.4
84.76805	0.5
98.20595	0.6
101.41331	0.5
110.98408	49.7
151.32713	0.5
152.99515	3.6
167.01035	2.6
185.02121	100.0
186.02469	2.2
215.39832	0.5
253.21689	26.5
254.21997	1.5
421.23007	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	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	7.0
59.01239	23.2
60.99167	7.0
61.40519	4.8
61.98694	5.7
63.16217	4.7
71.58880	4.7
72.99181	5.7
81.61681	5.2
88.98685	56.6
89.02339	12.1
96.95907	11.7
117.10464	5.9
121.02829	25.2
122.03127	8.1
137.09607	12.5
139.11201	37.4
147.08028	21.2
165.09117	21.9
191.05473	5.8
198.28754	5.7
201.11290	10.3
231.09886	6.8
233.15547	9.1
236.58966	5.5
277.21738	39.4
278.21976	5.5
287.20135	7.9
305.21268	12.1
313.17819	8.4
319.44714	5.6
331.19019	64.9
333.20676	7.5
349.20227	100.0
350.20395	9.8
361.13284	14.7
363.74512	6.2
403.24780	14.9
421.15906	5.3
421.22180	28.4
421.27808	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	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18428	7.4
59.01242	31.7
60.99189	12.0
61.98685	10.2
69.03329	15.0
69.78487	37.8
71.01248	12.1
88.98673	100.0
89.02309	21.1
93.03309	9.1
96.95888	18.4
109.98393	7.7
111.08011	15.1
121.02837	91.2
122.03148	42.2
138.05521	7.6
191.05534	11.4
193.08522	8.7
219.09877	37.3
226.08134	8.1
227.62019	8.0
264.01785	7.8
271.58969	7.7
303.23270	8.2
323.07739	9.3
331.18567	10.1
372.04074	9.5
385.12756	9.0
421.28015	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	423.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	39.6
71.16562	100.0
84.09183	48.9
165.03998	49.1
191.05611	46.3
231.73323	44.1
331.94205	41.1
425.57422	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	423.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49820	100.0
69.50240	74.3
80.73499	20.8
119.69969	24.9
126.31108	19.1
147.21065	21.9
174.86998	24.6
187.00594	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	423.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74472	1.8
56.29910	2.0
57.03318	2.7
59.01250	57.9
60.99597	1.9
61.36781	2.0
66.34380	2.1
69.03321	24.5
71.01248	45.7
71.38042	5.5
72.99190	6.4
73.02812	2.6
75.00738	2.7
81.03297	4.6
83.04897	12.1
85.02811	14.6
87.00768	2.3
89.02321	34.6
93.03332	6.3
95.01267	5.7
95.04900	7.9
97.02824	4.1
97.06467	47.1
101.02319	26.6
107.04907	26.5
108.02058	2.7
109.02840	4.7
110.03630	6.8
111.04405	4.9
113.02319	14.3
119.03394	14.2
119.04872	2.8
121.02843	5.5
123.04417	7.1
125.02328	3.0
125.05974	100.0
126.06412	2.6
129.01833	9.4
135.04436	19.3
137.02348	6.9
137.05984	6.6
139.03926	4.0
151.03871	8.8
153.05461	6.7
155.07010	2.7
161.04562	2.6
165.05518	2.3
169.04948	3.8
179.03372	12.2
179.05556	6.0
181.04970	7.0
183.02928	2.0
195.06506	3.2
197.04550	14.2
199.06041	7.6
243.05054	9.5
328.42450	2.2
379.12445	5.9
423.11444	46.4
423.17203	3.7
424.12109	8.6
431.17947	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	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	14.7
59.01254	70.4
64.63645	11.1
69.03314	13.5
69.56276	96.8
71.01260	54.3
73.02812	27.1
75.00748	22.2
85.02818	29.8
87.00748	13.4
89.02321	25.4
93.03327	32.3
96.95885	13.7
97.06451	14.9
101.02308	29.1
109.02852	23.9
115.00277	34.8
118.97994	12.3
120.99509	38.2
121.02849	36.0
125.09615	41.2
129.01895	16.7
133.01329	61.8
133.02873	17.4
135.04453	13.8
147.02881	22.8
164.04747	12.2
165.03943	23.6
173.04475	14.1
179.03178	11.7
187.07527	34.9
187.09714	36.6
191.03793	17.9
191.05504	88.0
192.82372	13.0
199.07544	16.8
216.41585	12.8
231.10313	33.8
275.09216	83.1
423.12506	19.8
423.17596	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	423.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98267	10.0
51.81543	11.0
59.01252	100.0
67.30191	10.0
69.58008	40.3
69.58434	42.2
71.01234	34.1
72.99174	11.6
73.02808	13.3
76.31905	10.5
77.13667	9.9
84.58330	11.4
85.02824	15.7
87.00729	20.6
88.86285	11.0
89.02299	24.0
90.78994	10.4
96.95869	10.5
97.57672	12.8
98.20607	18.6
99.00756	13.5
101.02293	15.2
108.30567	10.6
113.02294	14.1
116.03372	11.3
118.97930	19.5
137.97513	11.3
147.02870	12.6
150.03076	12.1
173.04497	16.9
191.05490	27.0
195.06491	13.8
262.78998	10.9
275.09250	40.4
283.11035	14.3
363.16299	20.1
423.11606	14.6
423.17816	31.2
423.22772	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	423.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67794	12.4
59.01249	100.0
69.62019	77.3
71.01254	37.6
73.02827	20.1
73.29700	13.6
74.02329	16.7
75.00779	16.4
76.96724	13.6
87.00758	12.8
89.02291	16.1
93.03421	14.0
98.20558	27.5
101.02316	23.6
116.03426	15.8
118.98015	20.9
121.05833	12.1
122.06055	18.6
122.16158	13.5
145.69936	16.9
159.10593	14.9
165.05476	16.3
191.05453	30.8
195.06363	15.2
240.72389	13.6
275.09192	51.9
361.17349	17.3
423.12070	36.4
423.17661	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	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	14.7
59.01254	70.4
64.63645	11.1
69.03314	13.5
69.56276	96.8
71.01260	54.3
73.02812	27.1
75.00748	22.2
85.02818	29.8
87.00748	13.4
89.02321	25.4
93.03327	32.3
96.95885	13.7
97.06451	14.9
101.02308	29.1
109.02852	23.9
115.00277	34.8
118.97994	12.3
120.99509	38.2
121.02849	36.0
125.09615	41.2
129.01895	16.7
133.01329	61.8
133.02873	17.4
135.04453	13.8
147.02881	22.8
164.04747	12.2
165.03943	23.6
173.04475	14.1
179.03178	11.7
187.07527	34.9
187.09714	36.6
191.03793	17.9
191.05504	88.0
192.82372	13.0
199.07544	16.8
216.41585	12.8
231.10313	33.8
275.09216	83.1
423.12506	19.8
423.17596	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	423.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03318	4.7
59.01259	6.2
69.03310	1.7
69.59254	4.0
70.26215	0.6
71.01249	4.3
72.99168	0.5
73.02814	0.8
74.84118	0.5
74.98956	0.6
75.00739	1.2
81.59260	0.5
83.04890	0.7
85.02832	2.0
87.00764	0.8
89.02315	4.0
95.04893	1.0
97.06466	12.4
101.02316	2.8
113.02315	2.7
118.97957	2.2
119.03346	0.9
123.08038	6.3
125.09610	100.0
126.09959	3.4
134.04634	1.7
136.07623	0.6
143.10663	1.9
161.04457	1.6
165.03986	1.5
169.08624	2.5
187.09674	81.7
188.10036	3.3
191.05560	1.1
202.10974	2.7
221.93924	0.5
231.10242	0.6
233.42383	0.6
245.57115	0.6
253.09233	2.4
261.13437	1.6
275.09067	1.3
319.12888	0.9
405.17938	1.2
406.63916	0.6
423.18680	82.4
424.19141	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	423.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46958	0.7
59.01252	4.3
60.70217	0.9
66.81142	0.8
69.84180	1.4
69.84593	3.5
71.01250	33.6
72.99181	9.3
73.02805	1.0
87.89004	0.9
87.92446	0.8
92.99739	0.8
93.03509	0.8
96.95908	0.8
97.02825	1.9
97.06454	1.0
101.46688	0.8
103.91920	1.8
107.08561	6.6
115.00256	11.0
119.08571	2.4
123.08067	1.1
125.09626	5.9
127.11128	1.1
135.08009	2.1
137.09630	3.0
151.11244	1.1
155.10704	1.1
159.40256	0.7
170.17363	0.8
171.10182	2.8
181.12163	1.2
191.14383	0.8
199.09702	9.5
199.64862	0.9
200.10504	2.8
209.11702	1.2
210.00107	0.8
213.11238	2.4
218.85242	1.0
245.19070	7.3
263.20148	2.5
289.18103	10.4
307.19135	100.0
308.19516	7.1
354.08029	3.2
363.12634	2.6
405.19220	4.1
423.15497	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	423.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	7.0
57.03323	4.2
58.00454	2.0
59.01247	37.9
61.08410	0.4
66.54506	0.5
69.03321	1.5
70.17262	0.5
70.44680	0.4
71.01251	59.6
72.01592	0.8
72.99184	3.5
73.02815	29.9
75.00747	4.2
81.03314	0.9
83.01252	14.6
84.36248	0.4
85.02819	32.3
85.99970	1.8
86.03147	0.7
87.00745	4.3
89.02310	10.7
89.02815	0.7
93.03337	1.3
95.01249	4.7
97.02822	3.1
97.06434	0.7
99.00755	13.2
99.04396	0.7
101.02318	62.4
102.02665	1.3
109.02837	0.8
111.00742	1.9
113.02327	21.5
115.00248	0.7
115.03879	2.1
121.02856	1.1
125.02338	3.6
127.11201	0.7
129.01862	3.0
129.12747	0.6
131.03374	3.8
133.02827	2.8
134.03635	6.4
135.04422	2.3
136.04767	0.5
137.02292	0.8
139.03954	0.5
143.03403	3.0
147.02905	1.4
147.06526	1.0
149.04419	1.3
159.02905	4.1
161.02354	0.9
161.04456	24.9
162.03156	0.8
162.04832	0.8
165.03902	0.7
173.04497	0.7
177.01877	2.2
178.02655	2.3
189.05481	0.9
191.05547	2.7
205.03528	1.0
215.07094	0.6
231.10170	1.5
233.06520	3.3
275.09238	6.8
278.31622	0.5
291.18124	100.0
292.18442	6.4
293.08673	0.7
307.11813	0.6
326.06482	0.5
335.17081	0.6
423.22308	77.8
424.22647	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	423.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.8
59.01241	12.7
61.36956	0.8
69.03311	3.4
71.01253	1.5
83.04868	1.1
84.02036	13.9
91.74898	0.7
94.03520	0.9
95.04904	6.0
96.53815	0.7
96.95901	1.3
97.02814	10.6
97.06458	14.2
99.04395	3.8
99.92461	0.9
119.08547	1.1
121.06425	1.4
125.09602	3.7
128.39633	0.8
137.09615	1.1
165.12743	1.7
167.10532	0.9
171.10172	20.9
181.72623	0.8
183.13863	5.2
189.05203	1.2
191.05470	1.1
193.08386	24.1
193.12225	12.9
194.08693	1.2
194.12459	1.3
199.13196	1.1
211.08061	1.2
211.13330	3.7
215.10478	7.8
225.14868	15.9
226.15160	1.0
229.22746	1.1
232.10695	3.5
233.11552	7.4
243.15916	5.9
247.13071	2.3
251.11363	1.8
255.13660	2.2
259.09454	2.4
264.09766	24.8
265.14084	1.7
279.12140	6.5
293.13657	1.1
294.10620	1.1
307.22723	2.9
309.13290	4.6
325.19992	1.1
331.17654	1.9
341.23279	100.0
342.23709	8.7
345.20547	3.3
353.11563	0.9
363.20483	21.2
364.20813	1.9
374.48538	1.0
407.20483	2.6
423.23978	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	423.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32202	0.3
56.35024	0.3
71.07910	0.6
78.95773	13.4
87.89449	0.4
94.98893	0.6
104.97319	0.5
110.97626	0.5
110.98408	9.2
136.99948	0.6
138.47687	0.3
140.71120	0.3
152.99426	0.5
167.01070	12.2
185.02176	2.2
255.23257	100.0
256.23611	8.3
272.24078	0.3
320.67123	0.4
423.25137	17.6
424.25580	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	424.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17546	1.9
57.68489	1.7
58.04178	1.7
58.39859	1.6
59.01241	16.1
69.41461	1.9
69.71435	3.3
69.71844	9.2
71.01253	17.5
71.32697	1.9
72.99181	2.0
73.02809	5.3
82.92268	1.9
83.01295	2.2
85.02821	7.5
87.00779	2.5
88.00246	1.9
89.02328	8.7
99.00735	3.5
99.06683	1.7
101.02326	25.2
113.02337	7.7
130.06520	11.7
140.07076	4.5
145.02841	5.0
150.26451	1.8
156.08093	17.7
157.05159	2.2
172.07614	24.5
179.05466	2.6
191.05518	10.4
200.07072	26.6
218.08221	2.7
225.11185	3.2
226.05052	2.4
226.11589	2.6
251.26941	1.9
262.10849	7.1
292.11923	6.5
323.18936	2.0
327.10257	2.0
362.12482	2.2
364.10342	15.6
379.16046	6.9
424.12482	100.0
424.17978	3.9
425.12936	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	425.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.5
57.03325	3.5
58.00462	5.1
59.01247	100.0
61.21478	1.3
62.72129	1.3
68.99435	2.9
69.03342	2.0
70.92432	3.4
71.01251	97.2
72.99173	5.7
73.02815	14.5
78.36289	1.3
80.35104	1.4
83.01248	8.3
84.98936	85.5
85.02811	27.3
86.02347	4.8
87.00737	8.2
89.02312	95.6
93.03290	1.9
95.01254	6.1
96.95878	2.1
97.02847	1.8
99.00749	6.1
100.03714	1.4
101.02319	58.1
107.03646	2.7
110.04000	6.5
113.02325	44.0
117.71498	1.3
119.03386	40.8
131.03369	17.1
133.02853	5.1
134.03651	11.3
135.04382	4.9
137.02328	3.7
143.03395	9.0
149.04434	4.9
155.03456	1.4
159.02855	4.6
161.04469	31.6
176.03197	75.5
176.26076	1.6
177.01830	5.7
177.03316	1.7
178.02589	5.6
179.03311	1.3
179.03979	2.2
179.05516	22.2
191.05533	6.2
205.03387	1.7
222.09766	8.8
245.05344	5.2
248.07710	77.2
249.07988	2.6
263.09280	1.4
275.09375	4.1
293.10236	3.8
306.02518	1.4
364.46829	1.4
407.13080	1.6
425.11758	4.5
425.17468	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	425.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49212	34.4
59.01240	100.0
70.91724	76.5
70.92059	81.7
71.01236	74.7
85.02821	51.0
89.77322	43.7
101.02306	66.0
191.05525	73.7
266.35297	41.8
301.19257	44.5
328.09875	40.6
377.41257	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	425.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62597	2.8
59.01241	13.0
70.99361	3.0
71.19338	6.4
80.91560	7.7
83.01225	2.9
89.94766	3.1
90.73755	2.7
95.01256	6.6
99.92457	10.2
109.02853	6.8
114.78222	3.1
115.91936	6.5
118.89860	3.6
121.06462	3.6
123.04407	10.9
123.08030	8.5
135.47780	3.2
151.11159	4.0
171.10231	4.5
199.13326	13.3
221.11523	47.5
222.11995	3.2
233.11659	4.6
245.19020	3.5
256.63556	3.1
259.09402	15.5
260.10291	57.8
261.10669	5.1
261.18530	3.2
269.07962	4.8
271.17300	3.1
289.18073	44.5
290.18265	3.7
292.09189	5.1
301.17670	6.1
307.19098	69.7
308.19482	6.4
311.16241	4.9
321.04163	3.4
329.17313	100.0
330.17606	9.4
365.14923	61.3
366.15137	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	425.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65918	1.4
57.03307	3.0
59.01245	9.2
67.52811	1.4
70.02519	7.8
71.01247	48.2
75.00746	6.4
78.95767	16.8
83.13651	1.4
87.00742	1.7
90.39807	1.5
90.96996	3.6
96.95885	7.1
96.96828	29.4
97.24585	1.5
98.20474	1.7
98.90575	3.3
113.09600	6.3
113.92529	3.4
114.93292	2.8
115.00246	97.3
116.00713	1.8
125.09608	3.5
127.11164	3.5
131.89932	1.6
132.98099	3.0
137.09563	2.2
141.09071	2.8
153.09157	1.9
155.10666	3.0
171.10139	3.0
174.99161	4.7
191.05521	2.2
201.11246	20.1
208.00551	2.0
213.11299	12.0
215.05959	1.6
218.98782	1.7
223.09526	2.2
225.04384	5.0
227.05974	6.4
229.07559	2.4
233.87187	1.6
239.06012	4.6
243.05388	7.6
253.03969	3.3
253.07593	2.7
255.05605	3.5
257.07010	43.1
258.07422	2.1
259.08688	2.8
264.31711	1.9
265.07645	3.0
267.09268	3.7
269.06976	17.4
271.04984	31.5
271.08640	4.8
283.05603	1.6
283.08600	5.8
291.19571	7.6
295.08575	2.5
297.06638	3.4
299.08105	100.0
300.08463	5.4
301.06085	5.4
309.20688	9.5
311.08044	15.6
319.15866	3.5
325.09912	2.6
327.21725	43.6
328.22131	3.1
335.15469	2.9
347.15271	25.1
348.15604	2.1
365.16397	39.4
366.16525	2.1
407.17416	19.9
425.18643	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	425.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
59.01240	3.2
59.11813	0.8
61.20841	0.7
65.76643	0.9
66.96918	0.7
69.03303	0.8
69.85484	4.3
71.01247	46.9
72.01584	0.7
72.99173	10.4
80.31550	0.9
87.00753	1.3
94.92353	0.8
96.95895	1.6
96.99191	1.1
97.02825	1.1
98.19901	1.1
99.08039	1.7
110.03460	0.9
115.00246	13.2
123.04390	0.7
123.08080	1.2
133.01309	1.7
139.07625	1.2
151.11165	4.2
171.10175	3.2
179.14308	0.8
185.11803	1.9
193.08388	2.9
193.12241	2.7
195.13843	2.3
199.13312	0.9
215.10349	1.1
221.11775	2.3
225.14914	3.1
237.14873	1.0
239.12877	2.5
240.13606	1.5
247.20679	5.6
264.09775	3.1
269.07224	0.8
273.18634	1.3
279.12064	1.7
291.19641	98.0
292.19913	9.7
295.87097	0.9
309.20685	100.0
310.21078	10.7
343.24881	14.1
365.22067	2.7
407.20667	2.4
425.21677	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	425.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
59.01249	2.8
69.94812	2.1
71.01250	32.4
72.99181	6.8
96.99233	0.5
98.19948	0.7
107.08551	1.5
115.00257	16.0
125.09603	0.7
133.01306	9.0
134.01724	0.4
137.09590	0.7
139.11208	2.5
154.09930	0.4
155.10631	0.8
165.10716	0.5
167.10654	1.9
183.10254	1.0
185.11722	1.3
193.15880	0.7
199.13324	0.6
213.11212	2.9
214.11987	1.7
227.12746	1.0
228.35435	0.4
233.17137	0.4
240.13550	1.6
247.20692	1.6
263.20032	0.7
273.18643	0.8
281.21280	0.5
291.19638	12.3
292.19983	1.4
307.19147	0.8
309.20685	100.0
310.21054	8.2
313.89505	0.4
319.22787	0.6
407.20474	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	425.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.4
59.01251	13.3
61.98691	1.8
67.00552	0.7
67.01772	1.1
69.03323	2.3
70.01352	4.1
71.01236	2.5
77.10373	0.8
77.38849	0.7
79.95584	3.1
83.04883	1.0
95.04896	3.3
95.51221	0.8
96.95906	2.1
97.06413	1.0
99.08035	8.9
99.92440	1.4
115.00243	2.7
115.91972	2.1
116.92735	1.3
121.10098	2.5
125.09601	2.7
137.09618	1.2
138.07243	0.8
139.11154	1.3
153.09161	0.9
165.08958	0.9
167.10524	1.1
171.10188	25.8
175.11186	1.2
191.06850	0.9
193.08383	27.3
193.12231	14.3
194.08669	1.6
211.08139	1.7
211.13306	3.4
215.10510	7.3
223.09335	2.3
225.14915	20.9
226.15213	1.3
232.10748	3.4
233.11566	5.9
243.15961	7.5
244.16222	1.1
247.13171	1.8
251.11324	2.3
259.09528	1.1
264.09775	20.8
265.10349	1.7
265.14005	1.3
279.11874	5.4
280.12808	1.3
280.15784	0.8
283.10449	1.0
293.21106	2.5
309.13275	5.5
325.20084	1.0
333.19202	2.7
343.24863	100.0
344.25195	9.1
345.13904	1.1
347.22083	1.1
365.16907	1.2
365.21866	14.1
366.22113	1.9
409.21902	1.8
425.11948	1.8
425.25256	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	425.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
69.73273	5.3
71.01245	5.5
86.19210	0.8
89.92460	1.2
90.93224	1.9
92.92680	1.9
115.00265	2.5
171.10152	1.0
171.64473	0.8
197.11908	1.1
214.73865	0.9
241.53268	0.9
247.20863	1.2
291.19550	5.7
309.20706	17.9
310.21121	1.3
327.07376	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	425.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46010	0.7
59.01249	100.0
60.01574	0.8
60.27475	0.6
68.69344	0.7
71.01255	3.2
71.19753	1.7
72.77875	0.7
74.80049	0.6
79.65594	0.6
90.93247	1.1
92.92701	1.7
103.44364	0.7
104.15569	0.7
114.67008	0.7
118.05859	0.7
123.08051	0.8
129.21857	0.7
171.10222	1.0
232.14166	0.7
239.83383	0.9
240.76590	0.8
291.19614	5.7
309.20654	12.1
310.21255	1.5
327.07626	0.9
432.65460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01584	0.4
70.71507	0.4
70.92906	1.3
71.01244	0.7
75.02651	0.5
93.03324	0.6
101.39816	0.4
121.02835	40.4
122.03180	1.2
133.02803	0.5
133.04922	0.7
134.03677	0.5
191.05594	1.7
200.97829	0.4
205.12254	0.5
216.44331	0.4
427.19788	0.5
439.29794	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	427.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34672	4.1
59.01243	32.0
63.70404	3.5
69.77910	19.4
69.78323	8.2
71.01255	25.8
72.40873	4.2
73.02816	16.0
75.91171	4.9
83.01238	5.8
85.02823	15.1
87.00727	6.3
89.02309	8.4
99.00752	5.2
101.02323	34.5
113.02325	9.4
134.03642	17.4
135.04391	9.4
142.16595	4.0
161.04446	7.5
163.03911	12.1
175.03967	5.3
178.02591	10.5
191.05548	10.4
193.05008	24.6
209.02710	29.4
210.20865	4.4
235.11836	100.0
253.01744	13.0
302.90240	4.2
347.04324	20.7
367.16086	54.5
427.06921	11.0
427.16592	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	427.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89212	1.5
55.63557	1.3
57.02365	1.4
57.78713	1.7
58.43839	1.3
59.01250	11.9
61.98699	3.6
71.58783	2.9
72.90347	1.6
73.22119	1.4
73.23452	1.9
75.00779	1.5
78.95769	1.9
84.50339	1.5
89.93610	1.5
93.03354	1.5
93.24223	1.4
95.01273	3.2
96.95893	10.7
99.92453	5.5
109.02814	2.3
110.03631	3.0
115.28849	1.5
116.97125	5.5
118.89871	1.5
123.04355	2.5
137.09535	2.3
151.11172	2.4
152.99464	8.0
153.09036	3.1
171.10170	5.1
180.83064	1.5
191.05496	2.1
193.08368	3.0
229.06012	2.2
245.18855	2.7
247.20634	4.4
259.09439	8.7
260.10168	3.1
262.11603	1.7
263.20026	1.7
267.95197	1.5
281.21402	1.7
291.19626	47.8
292.20038	2.9
303.19318	6.5
309.20694	57.8
310.20883	2.8
313.17892	5.1
314.66559	1.4
331.18872	100.0
332.19312	8.6
339.16095	2.2
367.16479	58.1
368.16629	3.5
391.19891	3.7
392.12659	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81803	0.9
55.67719	0.9
59.01249	20.6
61.98698	12.8
67.78354	1.0
69.95632	5.7
71.01247	26.3
72.99187	7.2
84.53890	1.1
96.95876	6.7
107.17599	1.0
115.00247	4.6
119.94590	3.3
121.16830	0.9
122.00235	1.0
139.11166	3.0
143.10683	1.8
151.35364	1.1
167.10686	5.6
167.11900	1.0
180.43910	0.9
181.99522	1.0
185.11687	1.3
190.23796	1.0
204.07288	1.0
204.52303	1.0
221.11560	1.6
224.48033	1.2
260.10324	2.1
266.00650	1.0
275.20016	1.2
289.18066	1.4
293.21222	7.2
307.19159	2.7
308.19440	1.0
311.22247	100.0
312.22528	6.4
329.17300	3.2
367.14499	3.2
401.50797	1.0
409.22235	2.3
427.23224	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	427.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.1
61.98693	0.6
69.59823	3.2
69.60236	1.0
71.01248	39.8
72.01579	0.7
72.99176	16.8
81.03329	0.7
87.00734	1.3
96.99196	0.8
97.68697	0.5
98.19815	1.0
103.54116	0.4
115.00261	5.9
133.01315	1.5
137.61275	0.5
139.11195	1.2
154.09921	1.1
167.14316	0.6
177.12750	1.4
181.12265	0.7
195.13841	1.3
249.14897	0.9
249.22224	1.8
293.21198	48.5
294.21616	3.8
309.20706	2.2
310.20978	1.7
311.22235	100.0
312.22543	6.9
321.24207	1.2
365.23389	0.9
408.05084	0.6
409.22137	4.3
427.23328	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	427.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.1
60.13248	0.5
61.98695	1.7
70.87683	1.4
71.01252	19.3
72.99174	3.1
87.00756	1.2
92.92762	0.9
94.92380	2.3
96.95882	2.7
99.92470	1.8
112.20869	0.7
113.09597	0.6
115.00246	2.2
115.91942	1.3
116.92735	1.1
118.89865	1.3
133.01340	0.7
134.69946	0.7
134.89384	1.0
139.11153	1.1
177.12769	1.6
177.51663	0.6
195.13812	2.1
210.59201	0.7
249.22197	2.2
293.21198	50.3
294.21454	5.3
311.22256	100.0
312.22507	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43006	2.0
57.75951	1.9
59.01248	86.3
61.98699	2.7
62.53269	1.8
71.01245	13.5
71.58757	3.3
72.99163	2.2
78.95770	7.2
96.95889	8.8
106.77735	1.7
115.00267	4.2
125.09615	2.8
133.01266	1.9
133.02852	4.0
134.03630	2.2
135.04413	3.9
137.87109	1.8
152.99467	13.9
155.03442	2.3
155.14313	2.1
167.10675	2.3
179.03383	3.5
283.42407	2.0
290.97327	1.8
293.21213	15.2
311.22250	100.0
312.22501	9.6
367.09671	2.5
367.16745	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	427.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56706	1.0
57.01917	1.3
59.01247	100.0
61.98719	1.4
65.65586	1.1
66.24327	1.0
67.01767	1.2
68.78907	1.1
70.28729	1.2
71.01254	1.1
71.58016	1.0
71.58349	1.8
78.95770	7.1
80.56879	1.0
92.92657	1.2
93.03337	3.9
93.30127	1.0
94.92360	2.6
99.92461	2.5
118.89841	1.6
135.04413	1.3
144.46278	1.0
147.68259	1.1
152.99454	8.8
161.64519	1.1
173.04477	3.4
179.91612	1.0
191.05502	1.4
196.24843	1.1
293.21271	4.5
367.15112	3.6
381.74768	1.1
392.13013	1.8
409.36630	1.1
427.29440	1.3
428.10480	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.26320	1.4
61.58878	1.5
61.98697	2.2
67.01756	1.5
71.59044	2.8
78.95764	15.4
93.03342	5.8
96.95889	38.2
99.92426	2.5
103.55119	1.5
118.89845	5.8
120.89561	2.8
151.46275	1.7
152.99474	23.8
173.04506	4.6
179.03244	2.1
191.05479	3.2
293.21201	6.4
318.60556	1.6
428.10605	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00566	1.0
52.20444	1.0
59.01251	16.3
59.82455	0.9
60.15422	1.2
70.64914	3.5
71.01252	7.7
72.99175	1.6
73.02811	1.9
83.01222	1.6
85.02795	3.4
87.00759	1.6
87.50053	1.0
89.02298	4.9
95.01241	1.8
99.00809	1.1
101.02328	7.0
113.02314	5.0
119.03382	1.6
121.02796	1.5
133.02888	1.4
134.03633	100.0
135.02878	2.2
135.03905	2.8
136.01555	1.5
137.02332	8.8
139.03844	1.7
149.05978	53.4
150.03154	1.2
150.06285	2.3
155.30901	1.2
178.02640	43.4
179.02924	1.2
191.05571	1.7
193.04985	65.1
194.05341	1.7
205.08566	1.7
243.23576	1.2
267.08707	2.5
338.69681	1.3
429.13733	96.6
430.14011	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	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59333	0.3
59.01245	3.6
63.25304	0.3
71.01254	0.6
88.47248	0.3
89.02325	0.4
98.20671	0.5
99.00768	0.7
99.92451	5.0
100.93227	2.7
115.91956	100.0
116.91961	4.3
116.92744	6.5
132.92276	0.9
142.94325	0.4
172.95383	5.1
229.23901	0.3
232.29944	0.3
255.23196	0.7
355.15903	0.8
381.17426	0.7
409.96823	0.3
429.19513	3.4
447.60272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01587	1.0
69.65936	2.4
71.01250	7.7
83.54604	0.3
85.02834	1.0
85.05552	0.4
85.31883	0.3
87.00749	0.5
89.02311	10.3
95.01263	0.4
101.02306	2.4
113.02328	2.6
119.03393	4.2
119.51942	0.3
128.48479	0.3
131.03384	0.8
131.92584	0.4
143.03430	1.0
149.04472	0.5
161.04498	0.9
179.05528	1.7
205.33391	0.3
429.21237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59732	0.5
57.03338	0.5
58.00467	1.0
59.01248	100.0
60.01594	0.9
71.01249	19.4
72.99186	0.7
73.02819	0.7
73.98199	0.5
75.00761	1.2
83.01262	0.7
85.02827	3.2
87.00758	1.4
89.02313	33.0
93.03305	0.6
95.01257	1.0
99.00732	0.6
99.04379	4.1
101.02311	9.1
109.02830	0.7
113.02330	8.1
119.03382	11.1
131.03395	1.4
134.03618	3.6
135.02899	1.9
135.04402	1.9
136.01544	0.6
143.03409	2.1
149.04483	1.1
152.73489	0.5
161.04495	2.2
179.05533	6.0
191.05513	6.6
203.31963	0.5
220.47531	0.5
231.10278	1.2
255.06554	1.3
311.11533	1.1
429.12283	1.7
429.21432	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97342	0.3
55.01731	0.3
58.00461	0.4
59.01248	100.0
59.24923	0.3
60.01578	1.2
60.12575	0.3
69.52087	2.1
71.01253	6.1
72.99184	0.8
73.02831	0.6
75.00737	0.5
83.01318	0.3
83.22408	0.3
85.02827	2.4
87.00769	1.0
89.02316	7.5
93.03337	1.6
95.01276	0.7
98.19869	0.6
99.00739	0.4
101.02310	3.2
108.34190	0.3
109.02820	0.7
113.02316	2.4
119.03395	2.4
127.03869	0.3
131.03369	0.4
134.03638	3.1
135.02844	1.6
135.04472	1.0
143.03439	0.6
149.81705	0.3
161.04440	0.9
179.05528	2.7
191.05530	8.2
207.83633	0.3
211.07643	1.2
231.10269	1.0
249.14893	0.3
255.06558	2.7
255.30121	0.3
311.11349	0.7
429.12061	1.9
429.21243	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99843	0.2
55.01757	0.5
55.34657	0.2
57.03324	0.2
58.00460	0.8
59.01248	100.0
60.01580	0.8
66.84721	0.2
69.03324	2.4
69.47681	0.9
69.48111	0.8
71.01251	18.2
72.99173	1.6
73.02811	0.6
75.00750	0.5
82.36699	0.2
83.01284	0.6
85.02818	2.6
87.00776	1.0
89.02313	27.7
90.02650	0.4
93.03339	0.3
95.01281	0.9
97.02834	0.8
97.06524	0.3
99.00774	0.7
101.02315	9.1
109.02836	0.5
113.02329	8.1
119.03385	10.3
125.02375	0.4
131.03384	1.3
134.03619	3.9
134.04500	0.3
135.02899	1.0
135.04419	0.8
136.01569	0.4
141.01913	0.3
143.03409	1.7
148.26933	0.2
149.04471	1.2
151.03922	0.5
161.04466	2.2
173.04491	0.3
179.05521	5.2
179.10687	0.4
185.00789	1.7
189.12756	0.5
191.05589	0.4
194.55751	0.2
198.70415	0.2
231.10234	0.5
243.12306	0.3
267.16125	0.3
293.10342	0.5
311.11465	0.4
429.21494	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	429.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28320	0.4
57.60354	0.5
59.01247	100.0
60.01575	0.8
61.98703	1.0
69.65454	1.6
69.65886	2.0
71.01243	2.8
79.63470	0.5
85.02825	0.6
88.37656	0.5
89.02318	4.0
91.03883	1.0
94.92404	0.8
96.95901	2.3
98.20525	0.7
101.02337	2.2
113.02357	1.6
118.89827	0.6
119.03410	1.7
137.09605	0.7
161.04529	0.6
179.05557	0.9
217.08696	0.7
277.21884	0.6
295.22665	5.9
303.12161	0.6
332.16296	2.3
347.18481	4.0
413.32196	0.6
429.30161	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	429.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28320	0.4
57.60354	0.5
59.01247	100.0
60.01575	0.8
61.98703	1.0
69.65454	1.6
69.65886	2.0
71.01243	2.8
79.63470	0.5
85.02825	0.6
88.37656	0.5
89.02318	4.0
91.03883	1.0
94.92404	0.8
96.95901	2.3
98.20525	0.7
101.02337	2.2
113.02357	1.6
118.89827	0.6
119.03410	1.7
137.09605	0.7
161.04529	0.6
179.05557	0.9
217.08696	0.7
277.21884	0.6
295.22665	5.9
303.12161	0.6
332.16296	2.3
347.18481	4.0
413.32196	0.6
429.30161	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	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79121	0.5
59.01249	100.0
60.58607	0.5
61.98692	8.2
61.98993	0.6
71.01246	3.4
71.19547	1.0
71.19878	0.8
71.37518	0.6
85.24383	0.7
89.02303	4.9
91.03906	1.6
96.95873	6.3
99.92482	0.8
101.02341	1.3
113.02349	0.7
115.26839	0.5
116.92694	0.6
119.03375	1.6
119.94591	2.2
125.62737	0.6
137.09663	0.8
161.04530	0.6
179.05643	0.7
254.73085	0.6
259.09393	0.8
271.84033	0.6
277.21878	1.0
291.19778	2.1
295.22766	10.1
309.20782	2.6
330.14728	0.6
331.18832	3.7
332.16318	2.1
332.94958	0.6
369.16235	2.5
415.23318	0.6
429.30087	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	430.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95845	4.9
56.12112	5.0
59.01247	84.6
61.47317	4.8
65.10426	4.8
67.01766	7.2
68.99689	24.6
69.03334	28.1
69.38268	37.3
69.38685	13.6
70.03665	5.5
71.01254	51.5
72.99214	6.9
73.02826	7.1
82.20901	5.7
85.02810	9.1
87.00769	9.1
87.88223	4.8
89.02317	46.8
95.01263	18.6
98.24699	5.2
101.02322	100.0
102.01859	15.7
108.97810	5.2
113.02361	19.6
118.34596	6.2
119.03421	20.1
123.04437	37.8
127.03902	18.6
134.03658	7.0
135.04384	12.4
144.41010	6.0
146.60716	5.6
153.05429	7.9
154.05838	7.7
155.03415	59.2
163.06053	7.4
166.04980	17.4
179.05544	9.7
191.05540	8.5
205.12204	9.4
225.07622	7.6
268.08347	6.9
297.15451	5.9
343.85464	5.4
372.81131	7.6
430.21576	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	430.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58853	4.5
57.03331	6.4
59.01248	100.0
64.94167	4.2
67.81704	4.6
68.99686	20.2
69.03320	12.0
69.63102	37.2
71.01252	86.3
73.02806	16.9
78.95764	10.6
83.01261	7.5
83.04878	5.7
85.02807	29.9
85.93902	4.5
86.03196	4.8
87.00781	7.8
89.02306	59.8
93.03337	8.0
95.01259	21.6
95.55453	4.4
98.02354	5.4
99.00769	9.8
101.02322	89.8
102.01888	8.9
102.02628	6.6
113.02301	26.1
119.03378	18.6
121.02774	7.4
123.04429	33.8
127.03885	8.3
134.03621	8.9
135.02817	5.9
138.95322	5.8
155.03407	44.6
161.04460	21.4
162.04808	7.5
166.05013	14.6
187.19911	4.5
191.05482	14.0
268.08182	13.4
283.11935	6.3
284.12183	20.3
326.78311	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	430.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01021	1.8
51.55450	1.4
58.00462	3.2
59.01249	45.6
69.03330	10.3
69.74301	3.0
69.74708	9.9
71.01252	28.0
72.99168	4.5
73.02806	3.5
74.95238	1.6
75.00753	3.1
82.02866	3.9
85.02815	10.2
85.65719	1.4
87.00765	2.6
89.02313	33.5
91.71956	1.6
93.03323	3.3
97.02834	13.5
98.02366	2.9
98.20437	2.8
99.00790	2.4
101.02319	18.2
102.06149	1.4
104.93627	1.6
106.59795	1.4
107.04905	5.7
109.02834	19.1
113.02320	11.1
118.02923	1.6
119.03391	12.8
120.04442	1.7
121.02864	8.6
122.97530	1.5
123.04388	9.7
125.02271	2.1
126.01833	1.5
126.05494	2.8
132.04446	2.6
135.04434	13.4
136.03938	45.7
141.05362	2.4
143.03389	2.3
144.04396	3.1
149.06010	1.5
151.07529	2.5
159.03116	1.6
160.07602	21.1
161.04520	3.5
161.05969	5.4
162.05504	13.6
165.05453	3.6
179.05525	8.1
179.07053	11.8
180.06598	3.4
182.59074	1.6
188.07098	14.9
195.06500	3.3
206.04456	2.6
206.08163	15.8
250.07167	10.9
253.48184	1.6
280.90610	1.5
299.11676	1.9
360.70825	1.7
371.09808	2.5
372.60437	1.8
430.13492	100.0
431.14639	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	431.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51919	0.3
57.03320	1.1
59.01248	43.5
60.99170	2.5
61.39726	0.3
67.01756	5.6
69.03308	1.6
70.99114	0.3
70.99451	0.8
71.01249	7.0
71.01607	0.5
71.04909	0.4
72.99187	0.6
73.02826	1.4
75.00748	0.4
75.87333	0.3
81.03326	1.6
83.01258	0.6
83.04916	0.9
85.02819	10.3
87.00749	10.7
87.01266	0.6
89.02313	2.8
93.03331	37.2
94.03677	1.0
95.01259	0.6
96.42747	0.3
99.00755	0.9
99.04401	0.8
101.02316	3.5
102.52898	0.3
109.02847	0.9
111.04398	6.3
111.05135	0.5
113.02335	2.4
115.03919	0.4
115.05419	0.4
119.03404	1.0
123.04385	0.9
125.02351	0.4
127.03882	2.3
129.01822	1.3
137.02335	0.6
143.03401	0.9
155.03363	1.5
161.04486	1.7
161.47963	0.3
163.03848	0.3
163.11084	0.4
169.10201	0.4
171.02931	0.6
171.04405	0.7
172.05209	1.8
173.04462	27.4
174.04810	0.7
179.05530	0.6
179.10597	0.3
184.05205	0.8
184.51974	0.3
187.07539	1.0
191.05527	100.0
192.05875	2.8
197.06050	0.5
198.06775	1.0
213.09148	8.0
214.09537	0.3
214.49307	0.3
231.10201	9.9
231.12480	0.6
232.10664	0.4
257.08160	32.7
258.08533	1.8
258.88898	0.3
267.78870	0.3
303.16290	0.3
387.14526	0.5
398.82904	0.3
431.13467	19.6
431.22513	1.3
432.13803	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	431.1557
Annotation	8-O-Acetylmussaenoside
Peak:m/z	Relative Intensity
59.01249	100.0
69.63110	7.1
71.01254	21.3
72.99174	1.5
73.02824	6.3
83.01254	3.4
85.02819	9.9
87.00741	2.4
89.02316	4.7
95.01263	2.5
99.00732	3.0
101.02312	17.4
113.02331	6.5
119.03367	2.4
125.02338	1.4
143.03413	1.6
159.02991	1.1
159.63211	1.1
161.02364	2.4
161.04422	8.5
164.98009	1.0
165.93060	1.0
176.04724	1.9
179.03369	3.4
183.47884	1.0
191.07072	1.2
194.05757	7.7
195.06427	1.1
204.28290	1.1
209.08159	13.7
214.05005	1.0
269.10303	6.9
431.15576	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.8
59.01249	100.0
70.24117	0.8
70.76594	0.8
71.01258	5.8
71.58308	1.2
75.00743	1.0
85.02813	1.6
89.02299	2.4
93.03326	1.8
99.00759	1.0
101.02317	4.0
102.26919	0.8
103.17752	0.8
108.02048	8.2
109.02840	0.9
113.02309	2.5
119.03413	0.8
123.04430	1.9
124.01501	1.1
131.03415	1.1
135.04395	5.2
136.05170	3.7
138.01868	60.7
142.13338	0.8
150.03128	1.3
151.03798	1.7
151.07539	2.5
153.01851	0.9
161.02332	3.6
174.57109	0.9
176.04720	2.9
179.03406	5.1
179.10718	1.3
191.05594	1.3
191.07104	1.0
194.05785	4.2
195.06561	19.8
196.06970	1.2
205.12341	1.0
209.08128	15.4
269.13895	1.5
431.15436	25.4
432.15585	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	431.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00579	0.3
59.01255	1.7
71.01238	0.4
71.24266	0.2
71.59186	0.3
78.95764	1.3
79.95614	1.3
89.02369	0.3
96.95885	100.0
97.95813	0.5
99.92479	0.4
171.66650	0.3
293.21149	0.4
311.22314	0.6
317.48657	0.3
431.11520	0.4
431.17325	0.6
431.32428	1.2
445.44785	0.3
458.73846	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	431.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.4
58.00463	3.0
59.01248	100.0
59.07812	2.4
62.13204	2.4
64.79636	2.3
68.99679	2.5
69.03299	5.6
69.37740	17.1
69.38151	7.6
71.01252	63.3
72.99169	7.6
73.02812	3.8
74.98998	2.4
75.00748	3.7
83.01238	5.3
85.02826	18.7
87.00747	7.9
88.50096	2.4
88.55301	2.6
89.02316	88.3
93.03344	10.8
95.01263	5.4
97.02889	2.8
99.00761	5.1
101.02321	60.3
102.02654	2.3
107.04856	4.3
108.02090	3.1
111.04383	2.7
113.02328	29.3
119.03371	42.4
123.04385	9.6
123.07983	3.2
125.02310	3.0
127.03903	4.3
129.01819	3.2
131.03401	4.8
135.04373	3.8
143.03346	11.8
148.67772	2.6
149.04434	3.4
149.05981	3.2
155.03366	9.3
160.66180	2.9
161.02394	2.8
161.04440	19.4
165.09135	3.3
173.04482	5.5
179.05539	61.0
179.07066	2.7
179.10706	6.6
184.21617	2.4
189.12762	3.9
191.05484	13.1
205.12280	9.6
207.06482	3.1
223.13287	12.2
225.05962	5.4
235.13304	2.6
246.11267	2.6
265.14401	6.8
269.14081	4.6
431.14771	6.3
431.19312	35.0
432.19492	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	431.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.0
71.01246	0.7
74.73686	0.5
78.95773	71.0
79.62846	0.3
96.95912	2.3
96.96835	6.3
101.02337	0.6
113.02366	0.4
125.58684	0.4
150.97932	1.6
152.99483	100.0
153.99844	1.0
171.00516	2.9
201.86162	0.4
219.51662	0.5
277.21698	1.1
362.29333	0.4
431.21936	10.4
431.27203	0.4
432.22443	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	431.2199
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
52.70002	0.3
54.62708	0.2
59.01246	3.2
61.98671	0.4
62.96281	0.3
70.57769	0.5
70.58135	0.6
71.01257	0.6
71.04879	0.6
78.95771	50.5
80.59396	0.3
96.24197	0.3
96.95874	0.8
96.96838	5.7
98.95482	0.4
116.69791	0.3
119.03419	0.3
129.11534	0.2
129.52699	0.3
150.97884	2.3
152.99481	100.0
153.99858	1.1
164.85812	0.3
171.00543	3.6
273.99875	0.3
277.21756	0.9
314.84277	0.3
431.22006	4.7
431.31570	2.5
432.22366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2282
Annotation	Radiosumin
Peak:m/z	Relative Intensity
51.45019	0.6
51.62676	0.6
51.77533	0.6
55.01753	1.0
55.67420	0.6
57.03325	1.7
58.00468	1.5
59.01249	53.9
60.60748	0.6
69.03316	1.5
70.93136	1.5
71.01250	29.3
72.99170	3.1
73.02816	6.4
83.01246	4.6
85.02814	12.8
85.06432	3.2
87.00749	8.5
89.02315	4.0
93.03332	3.3
95.01267	2.5
97.02847	1.5
99.00767	2.1
99.08041	1.5
101.02314	10.6
103.61355	0.8
109.02841	0.8
111.00767	0.9
111.04363	0.6
113.02325	8.3
119.03364	1.3
120.99478	0.8
124.01568	1.2
125.02357	1.5
125.09614	1.8
129.01839	0.7
133.02914	0.8
135.04379	0.8
139.00356	0.9
160.84071	0.8
167.10699	10.7
168.11052	0.7
172.05287	1.0
173.04546	1.0
181.15948	2.4
186.06754	1.0
187.07564	0.6
191.05501	9.6
199.07587	0.7
205.07132	1.3
208.99593	0.7
209.15379	3.8
213.09091	0.7
214.06303	1.3
227.07062	1.6
227.16458	20.8
228.07948	1.1
228.16750	1.4
229.08617	0.7
239.16411	0.8
246.08925	0.8
251.16409	0.7
257.08286	2.0
263.07632	1.0
269.17645	0.8
272.09659	1.1
281.08524	3.7
294.65414	0.7
313.24683	0.6
318.11993	0.8
334.06705	0.8
350.91492	0.6
371.15948	0.8
371.17126	0.4
371.20718	19.0
372.21133	2.0
389.21777	47.4
390.22031	3.3
410.17383	0.7
413.22418	0.7
423.18170	0.8
431.22916	100.0
432.23270	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	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.9
55.59316	0.5
57.03311	1.5
58.00476	0.9
59.01247	100.0
60.01573	0.9
61.58278	0.5
71.01249	17.1
72.99167	0.6
73.02813	3.4
75.00716	0.7
79.95569	1.1
80.96414	0.6
83.01253	2.2
85.02818	7.0
87.00748	1.1
87.04396	1.3
89.02312	13.2
93.03345	0.6
95.01263	1.6
96.97629	0.5
97.02806	0.6
99.00761	1.5
101.02319	12.4
112.24515	0.5
113.02316	7.8
119.03365	4.2
119.99693	0.5
129.32237	0.6
135.04404	1.2
137.02319	0.5
143.03426	0.8
149.04469	0.6
154.47527	0.5
161.04414	3.6
179.05446	2.4
187.07494	0.7
191.05463	0.7
209.11687	0.8
209.15404	0.6
213.48058	0.5
227.07069	1.0
231.52867	0.5
241.67059	0.5
252.82854	0.5
266.52158	0.4
269.17593	0.7
371.20712	1.7
431.22778	30.4
432.23035	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	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39303	0.4
55.01741	0.3
55.14601	0.4
59.01247	100.0
60.01585	0.8
63.85563	0.4
71.01247	6.1
73.02818	1.3
85.02837	2.0
85.80260	0.3
89.02320	4.3
101.02328	4.5
110.56989	0.4
113.02328	3.3
119.03378	2.8
143.03400	0.6
161.04474	2.9
179.05539	1.7
242.62979	0.4
268.01431	0.4
330.95523	0.4
371.20584	2.4
423.49091	0.4
431.23083	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00544	0.4
55.01755	3.0
57.03316	2.2
58.00460	1.0
59.01250	32.6
68.99028	0.4
69.35203	2.8
69.35619	1.6
71.01254	32.5
72.99173	1.9
72.99566	0.5
73.02818	9.9
83.01258	5.7
85.02818	15.4
87.00747	1.9
87.04400	4.2
89.02315	12.3
93.03316	0.7
95.01285	2.6
98.19820	0.9
99.00747	3.7
101.02321	26.7
113.02332	12.3
119.03394	3.7
125.02309	1.0
129.01884	0.6
131.03323	0.6
135.04416	0.7
143.03387	1.1
147.02570	0.4
159.02858	1.4
161.04466	4.6
173.04338	0.5
179.05544	0.6
191.05565	1.3
196.97914	0.5
227.07007	0.7
251.16441	0.7
269.17526	1.6
395.16611	0.5
431.22827	100.0
432.23160	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	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.1
59.01248	100.0
60.01589	1.0
60.99180	0.9
65.60373	0.3
67.01765	2.9
68.84380	0.3
69.03319	1.0
69.66677	0.3
71.01251	8.8
72.99164	0.4
73.02817	1.9
81.03353	0.7
83.01231	0.8
83.04893	0.8
84.95890	0.3
85.02814	7.4
87.00748	5.9
89.02320	3.9
92.27298	0.3
93.03335	19.4
94.03654	0.5
95.01268	0.7
96.95918	0.5
97.02822	0.7
99.00755	1.2
99.04372	0.4
101.02322	5.0
109.02878	0.7
111.00720	0.3
111.04415	2.9
113.02326	3.3
115.00166	0.3
119.03387	2.3
125.02311	0.5
127.03888	1.3
134.03638	0.4
143.03403	0.7
155.03394	1.2
159.02881	0.6
161.04460	3.3
167.64650	0.3
171.02927	0.5
171.04448	0.7
172.05179	1.0
173.04468	13.7
174.04814	0.7
179.05505	1.0
184.05226	0.4
185.00864	0.4
187.07503	0.4
191.05530	52.0
192.05861	2.1
195.10172	1.2
198.06709	0.6
209.15416	0.4
213.09148	3.9
213.33583	0.3
231.10172	4.7
232.10547	0.3
244.98438	0.3
257.08154	16.1
258.08441	1.3
269.17593	0.8
371.20761	0.4
429.89374	0.4
431.13507	10.3
431.18488	0.7
431.22919	1.1
432.13687	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	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.1
59.01248	100.0
60.01577	1.0
60.99176	1.3
63.21544	0.5
67.01764	3.3
69.03333	2.1
70.55810	1.7
71.01254	9.0
72.99197	0.7
73.02827	2.1
81.03326	0.8
83.01249	0.6
83.04878	0.7
85.02819	9.6
87.00742	6.3
89.02327	3.7
93.03329	26.8
94.03686	0.8
98.19937	0.7
99.00749	1.0
99.04411	0.8
101.02307	4.9
109.02840	0.6
111.04388	4.8
113.02328	4.3
119.03425	1.3
127.03918	1.2
137.02409	0.5
143.03400	0.7
147.08145	0.6
155.03442	1.6
159.02893	0.8
161.04468	4.0
171.02853	0.6
172.05203	1.4
173.04463	18.0
179.05548	1.0
184.05215	0.7
189.82500	0.5
191.05527	65.2
192.05933	1.9
213.09105	5.5
230.66193	0.5
231.10179	5.7
257.08151	22.0
258.08582	1.9
431.13501	13.8
431.18539	0.6
431.23083	0.8
432.13992	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
58.00465	0.5
58.54463	0.4
59.01249	100.0
60.01593	0.8
62.21882	0.4
62.54508	0.4
67.01756	0.9
69.03334	1.1
69.73900	0.6
69.74306	1.9
71.01251	6.7
71.51529	0.4
72.99216	0.7
73.02824	0.7
80.96416	0.4
81.03365	0.4
83.01273	0.5
85.02815	3.9
87.00774	2.6
89.02307	7.8
89.02818	0.6
93.03339	7.5
99.00754	0.7
99.04412	0.6
101.02318	3.7
107.46578	0.4
109.02862	0.5
111.04412	1.2
113.02319	2.9
119.03394	2.8
119.52061	0.5
122.77644	0.4
127.03902	0.5
134.03790	0.4
135.20024	0.4
143.03381	0.7
149.04527	0.6
161.04486	1.3
173.04460	6.5
173.05811	0.6
179.05577	1.2
191.05531	20.1
192.05978	0.7
213.09190	1.7
225.05655	0.4
231.10252	2.0
257.08133	6.5
257.10590	0.5
295.00916	0.5
431.13690	3.6
431.22989	1.6
434.07431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69834	0.3
57.03323	0.5
58.00479	0.3
59.01248	100.0
60.01585	1.1
60.99155	0.3
61.98698	0.4
64.76489	0.3
67.01773	1.1
69.03319	0.7
69.63206	2.0
71.01247	6.5
71.92905	0.3
72.99196	0.7
73.02842	0.6
81.03334	0.3
83.01263	0.3
85.02818	3.5
87.00730	2.3
89.02311	7.8
89.02818	0.5
93.03335	7.1
94.03678	0.3
95.01261	0.4
95.61653	0.3
99.00756	0.4
101.02312	2.7
107.23667	0.3
109.02859	0.6
111.04424	1.4
113.02325	3.0
119.03390	2.9
125.02429	0.3
131.03448	0.4
135.04439	0.3
143.03398	0.9
149.04480	0.4
155.03381	0.6
161.04514	1.0
163.11183	0.3
173.04475	6.1
179.05539	1.0
187.07661	0.3
189.12776	0.3
191.05531	19.7
192.05891	0.7
198.06702	0.3
209.54851	0.3
213.09190	1.4
226.06136	0.3
231.10251	2.1
245.65445	0.3
257.08167	6.0
258.08688	0.4
269.17560	0.4
275.77127	0.4
313.11374	0.3
431.13654	3.4
431.23160	1.4
432.14127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21473	0.3
52.17442	0.3
53.09253	0.3
59.01248	3.2
60.01600	0.3
69.31779	2.4
69.32181	0.5
71.01249	0.9
73.02819	0.3
87.00743	0.3
89.02320	0.9
91.11160	0.3
101.02330	0.6
108.02045	10.5
133.02890	0.4
135.04382	0.9
138.01860	100.0
139.02194	3.0
151.04140	0.3
169.91876	0.3
173.04442	0.4
191.05569	0.9
195.06554	1.3
196.06917	2.1
291.85980	0.3
352.42444	0.3
432.15668	5.2
454.04950	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	432.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.4
57.28151	0.8
59.01249	100.0
60.01584	11.1
61.01682	7.6
61.98703	37.3
62.10423	0.9
64.63768	1.0
68.74937	1.2
69.05392	1.0
71.01250	22.7
72.01595	2.9
72.71274	0.9
73.02806	4.8
83.01252	2.2
85.02821	9.0
86.03181	2.0
87.00723	1.4
89.02312	14.3
90.02650	1.5
93.03363	1.7
98.20554	2.4
99.00737	1.2
101.02309	13.0
102.02675	2.6
104.80183	1.0
109.74590	1.0
113.02338	7.6
119.03402	4.8
121.03806	1.6
135.08043	1.4
143.03345	1.6
147.78572	1.0
161.04468	5.0
162.04770	1.9
191.05530	3.2
191.10625	1.6
233.78357	1.0
241.06558	1.1
254.09276	1.0
271.06506	1.1
312.67874	1.1
313.12128	1.1
371.20984	1.8
372.20978	9.4
386.19250	1.1
415.16003	1.9
432.23019	14.4
433.24350	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	2-(6-oxo-1-oxaspiro[2.5]octa-4-glucosyl)-6-hydroxy-1-benzofuran-3-one
Peak:m/z	Relative Intensity
54.04445	0.6
57.03312	1.2
59.01247	20.5
67.01736	0.9
67.80906	0.6
68.99686	1.0
69.03287	0.7
69.28889	1.3
69.29294	5.5
71.01251	7.5
72.99190	0.8
73.02815	2.2
75.00748	0.6
80.48520	0.6
83.01244	1.3
85.02814	3.3
87.00745	1.6
87.04417	0.7
89.02323	4.3
93.03335	4.0
95.01271	1.0
97.06468	0.7
98.19653	1.1
99.00743	1.1
99.04372	0.8
101.02316	6.3
109.02820	1.0
111.08109	0.7
111.90941	0.7
113.02321	2.4
115.00220	0.9
119.03401	1.6
119.04906	1.0
121.02821	3.0
124.01505	0.8
130.04146	1.0
133.02823	1.1
134.03662	1.2
135.04388	1.7
137.02332	0.8
140.02675	0.6
143.04865	0.9
146.03604	0.7
147.04424	2.7
148.05205	0.8
149.02309	3.0
154.29373	0.7
156.05728	1.5
157.06462	3.0
159.04414	1.8
161.02319	1.5
161.04424	1.5
163.03902	1.5
169.06516	1.0
171.08023	1.9
173.04543	1.5
174.03145	1.1
175.03891	1.6
179.05661	1.3
180.05696	0.9
181.06487	4.8
183.08080	2.0
185.05946	1.1
191.03424	2.4
191.05525	5.7
197.06010	3.6
199.07584	3.8
208.05203	2.1
209.06010	10.7
209.11673	1.3
217.12216	1.0
224.04716	4.7
225.05508	26.2
226.06087	3.4
227.07076	100.0
228.07437	5.6
245.11742	0.8
253.05031	23.0
253.18083	0.8
254.05261	1.2
255.76031	0.7
270.05365	1.8
271.06107	88.5
271.19064	3.1
272.06516	4.4
291.05182	0.7
329.10214	0.9
333.09897	1.5
336.04810	2.2
373.08893	0.8
415.11066	0.8
432.23105	2.1
433.11356	43.3
433.23883	17.0
434.11853	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	433.1137
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.00472	0.4
59.01244	6.6
59.32650	0.4
61.98699	1.2
63.02262	3.1
65.00188	7.8
68.99693	0.7
69.26174	5.1
71.01250	3.4
73.02808	0.8
79.07937	0.4
83.01260	5.1
85.02819	2.1
87.00748	1.1
89.02296	2.7
89.14649	0.4
93.03331	11.0
101.02311	3.2
107.01271	14.0
109.02834	0.6
113.02309	1.4
119.04910	45.8
120.05217	1.2
121.02866	0.7
125.02322	1.4
145.02858	1.3
151.00269	47.2
152.00604	1.5
155.31844	0.4
161.04530	0.6
164.01007	1.1
165.01836	2.2
169.01328	1.7
173.04478	0.8
175.00272	1.4
177.01817	6.5
179.05493	0.6
185.06010	1.3
187.03967	0.7
191.05521	9.9
193.01338	1.1
196.17899	0.5
197.11768	0.7
204.04572	0.5
209.15370	0.9
211.04037	0.6
226.06319	0.5
227.07092	0.8
232.17392	0.5
232.54091	0.4
236.86076	0.5
253.14536	0.9
259.09756	1.3
260.06189	0.5
271.06107	100.0
272.06436	7.5
295.06152	1.6
313.07272	2.4
432.22351	0.6
433.11307	1.4
433.20618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1349
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
52.62945	2.5
52.67254	2.7
55.01746	3.6
57.03310	2.7
58.00462	6.1
59.01249	90.2
59.20712	2.5
68.02551	2.6
69.03323	9.6
71.01251	80.0
71.58092	4.6
71.58500	3.4
72.99182	13.6
73.02818	10.2
75.00755	8.5
81.03356	5.1
83.01237	6.9
85.02808	21.5
87.00751	8.8
89.02316	94.3
93.03332	20.8
94.37696	2.9
97.02824	3.7
99.00758	8.0
101.02319	48.4
109.02818	3.6
111.04440	7.3
113.02309	19.5
119.03372	8.3
119.37235	2.5
121.02846	100.0
122.03185	3.3
123.04388	5.3
125.02295	5.3
130.83858	3.3
131.03394	29.2
132.02924	10.8
133.02853	4.1
135.04401	12.0
139.03883	9.8
143.03397	4.6
149.04463	73.4
161.04498	3.9
173.04445	10.6
173.64374	3.3
176.03900	8.8
177.05472	3.4
179.03334	5.5
188.85234	2.9
191.05508	21.6
209.42509	2.8
252.40614	2.7
270.07458	4.1
293.08676	3.9
325.41537	2.9
377.00186	2.8
396.88272	3.1
433.13019	9.7
433.20685	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	433.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95935	5.3
54.16509	5.9
55.08332	5.9
59.01249	100.0
68.99686	13.9
69.33237	15.2
69.33642	50.8
71.01248	80.1
72.99152	8.3
85.02824	13.0
89.02310	90.1
95.01247	19.4
101.02324	71.9
113.02332	29.3
116.32248	5.8
119.02654	5.7
119.03372	37.1
123.04416	33.7
155.03407	58.3
161.04526	7.5
179.05545	12.5
219.17308	6.6
225.07639	15.8
246.92300	7.1
248.14790	6.8
433.20724	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
65.73858	6.8
68.99682	11.6
69.03310	14.4
71.01251	84.6
71.58897	13.9
72.99187	18.1
73.02814	13.9
75.00745	26.6
85.02818	23.7
87.00758	17.4
89.02323	69.0
91.80468	7.5
93.03345	23.0
95.01295	8.9
96.95860	10.1
99.00745	10.2
99.97324	7.6
100.85214	8.2
101.02317	71.6
113.02322	37.1
119.03397	35.4
121.02935	7.3
123.04402	12.6
125.02350	21.5
131.03331	8.7
133.02872	12.8
135.04434	21.3
155.03462	7.6
161.04449	19.8
173.04472	25.5
176.04013	11.9
179.03375	19.7
179.05568	15.2
191.05527	42.4
207.13686	10.4
225.07648	28.6
252.68497	8.2
387.20383	11.0
433.20853	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83282	4.3
53.11507	3.9
59.01249	100.0
67.01756	5.4
68.99689	6.7
69.46500	27.1
69.46915	10.7
71.01252	91.6
72.01573	4.0
72.99184	10.6
73.02814	9.8
75.00746	38.9
80.59592	4.0
81.65045	4.2
83.01250	6.7
85.02819	20.2
87.00762	10.8
89.02316	86.7
93.03317	22.9
95.01264	14.4
98.19850	9.7
99.00755	5.8
101.02324	69.2
107.04907	4.0
111.04460	6.4
113.02308	31.5
119.03391	36.0
121.02805	3.8
122.03545	5.8
123.04407	13.0
129.01811	5.5
133.02832	24.6
135.04407	26.0
137.02287	5.2
143.03444	10.8
155.03380	22.0
159.10132	4.6
161.04443	18.1
173.04503	17.5
176.03928	9.5
177.01874	9.1
179.03445	10.0
179.05530	39.6
180.05791	5.0
191.05504	34.3
226.06375	5.0
227.07057	41.4
259.05286	15.7
285.54382	4.4
308.07642	4.1
433.11557	20.9
433.20721	23.5
434.11398	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	433.2442
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
52.09082	0.7
55.01744	3.1
57.03329	3.9
58.00478	4.3
59.01249	100.0
60.01578	1.7
60.99185	0.8
61.98700	1.0
69.03313	1.8
69.50870	0.8
69.66781	3.1
69.67212	2.7
71.01250	82.0
72.01592	0.9
72.99168	7.0
73.02438	1.3
73.02820	16.7
73.93821	0.7
81.03323	1.0
83.01247	6.1
83.04910	2.0
84.16211	0.9
85.02821	21.9
87.00756	6.6
87.04406	0.9
89.02312	73.6
90.02654	1.1
93.03327	1.4
95.01271	5.3
96.95884	1.3
97.06458	6.5
99.00748	3.2
99.04386	1.4
100.05220	0.7
101.02319	51.8
102.02655	1.0
103.03848	0.8
111.00758	1.0
113.02330	30.6
119.03385	33.9
125.02337	1.1
131.03389	3.8
134.03596	6.1
135.04433	1.2
137.02293	0.8
137.09604	2.2
139.00302	1.4
143.03413	6.7
143.04431	1.5
147.04506	1.0
149.04420	3.1
149.05928	2.4
150.20717	0.8
159.02885	1.7
161.04451	17.1
167.88788	0.8
169.12276	1.2
173.04517	1.9
179.05527	18.3
179.06970	1.6
187.07603	1.0
191.05560	7.0
197.11760	8.7
201.05629	0.8
209.15213	1.0
239.16422	1.7
271.09637	1.4
271.19125	30.8
272.19440	1.9
315.08606	1.3
333.75598	0.8
358.10233	0.9
373.12769	2.3
403.09888	1.3
433.14890	4.4
433.24374	46.7
434.24649	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	433.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.8
57.03324	1.4
59.01247	100.0
60.01590	1.4
69.03333	1.1
69.36586	4.5
69.36997	1.2
71.01250	15.8
72.99183	2.1
73.02815	5.1
75.00760	0.7
78.95793	0.7
83.01257	1.8
85.02811	5.2
87.00740	1.7
89.02311	10.2
89.10557	0.6
93.03357	1.5
95.01300	1.5
97.06468	0.6
99.00760	1.7
99.04423	0.7
101.02319	11.9
109.20509	0.5
113.02324	5.7
119.03371	4.1
123.04419	1.0
135.04431	1.2
143.03392	1.8
147.04457	2.3
148.05252	0.6
149.04526	0.8
155.03442	0.5
159.04404	0.7
161.02312	0.8
161.04456	4.9
161.05742	0.8
163.03943	1.3
167.76884	0.6
173.04503	0.6
174.03246	0.6
175.04005	1.1
179.05582	2.4
180.58842	0.5
191.03487	1.8
191.05579	4.7
197.11681	0.6
227.07146	2.0
271.06088	0.8
271.19113	2.8
292.05795	1.1
333.10046	0.8
336.04935	1.5
340.99673	0.7
373.22281	8.9
374.22849	0.7
433.11264	2.0
433.24121	14.3
434.24649	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	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.5
57.03312	4.1
58.00461	4.2
59.01246	100.0
69.03332	1.3
71.01247	74.8
71.04874	1.3
71.45217	1.2
71.45557	1.0
72.99174	4.7
73.02812	10.6
75.00755	1.3
83.01259	5.5
83.04881	1.3
85.02818	23.4
87.00758	4.5
87.04372	4.3
89.02309	63.5
90.02673	1.0
93.03338	2.1
93.62730	1.0
95.01264	7.3
99.00729	4.1
101.02313	49.0
102.02631	1.4
113.02322	30.0
114.02644	0.8
114.82756	0.9
119.03380	24.3
125.02309	1.3
131.03354	2.8
143.03366	6.9
149.04456	1.6
155.03333	1.2
159.02881	3.4
159.10152	7.2
161.04453	21.0
173.04445	1.4
179.05553	10.1
191.05530	3.6
201.14932	1.7
227.07147	1.6
271.19141	3.9
321.15454	7.1
363.20004	3.1
387.20221	1.2
433.19968	5.4
433.25305	15.5
434.24869	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42894	0.5
55.01756	3.5
57.03319	4.3
58.00465	4.0
59.01249	100.0
60.01585	1.3
61.98697	3.9
69.03316	2.4
70.73737	0.6
70.74110	1.6
71.01250	92.3
72.01582	1.2
72.99181	6.7
73.02812	17.1
75.00738	1.4
80.59334	0.5
81.03362	1.0
83.01252	7.1
84.02022	1.2
85.02819	24.4
86.03161	0.6
87.00745	6.1
87.04388	1.0
87.15527	0.5
89.02314	73.0
90.02648	1.0
93.03348	1.3
95.01263	5.7
96.95907	0.6
97.02847	1.1
97.06454	0.8
99.00750	5.6
101.02317	54.4
102.02703	1.0
103.03893	1.0
109.06479	1.2
113.02324	34.8
119.03382	29.5
120.03696	0.6
125.02349	2.0
129.01784	0.8
131.03404	3.6
133.01300	0.6
135.08064	0.8
137.99451	1.0
143.03412	7.5
143.04492	0.8
147.11710	3.5
149.04442	1.8
153.01891	1.1
159.02879	4.0
159.04214	0.6
161.04457	25.9
162.04863	0.6
165.12787	1.5
167.10670	3.9
173.04501	1.4
179.05519	15.1
187.07648	0.8
190.99774	0.7
191.05476	3.4
191.10727	0.5
192.02637	0.7
197.11766	1.9
203.01785	0.9
205.03560	0.5
209.11784	3.3
219.88928	0.6
227.07013	1.0
231.06920	0.6
235.17039	1.0
253.05135	0.6
253.10860	1.4
264.35446	0.6
271.19128	11.4
373.12900	1.0
415.16159	1.0
418.12537	0.9
433.15143	1.3
433.24512	42.8
434.24789	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	433.2439
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
55.01759	1.0
57.03308	1.5
59.01250	10.6
69.03313	0.8
71.01250	11.5
71.04890	0.7
71.08042	0.9
72.99146	0.7
73.02821	3.9
73.10532	0.5
83.01250	2.3
85.02818	6.3
86.00002	1.0
87.00747	4.0
89.02300	2.8
93.03316	0.9
95.01259	1.0
97.06459	0.7
99.00723	2.0
101.02320	5.6
103.20446	0.5
113.02324	2.9
119.03389	0.7
119.04893	1.2
120.99551	1.2
123.04360	0.7
133.02893	0.7
135.04427	2.5
145.02817	0.7
145.06371	0.6
146.03578	1.3
147.04408	4.6
148.05188	2.2
149.05937	0.9
150.03131	0.8
153.12758	1.6
155.14314	1.4
156.95232	0.5
157.01302	0.9
159.04395	1.1
161.02348	2.0
161.05945	1.4
162.03113	1.2
163.03909	1.5
170.56830	0.5
173.02315	1.0
173.04485	1.1
173.05943	1.1
174.03139	2.1
175.03862	3.2
187.03870	0.9
191.03386	5.9
191.05479	2.7
199.13275	3.8
201.05397	1.2
205.04929	0.6
209.11916	0.7
217.05095	0.6
218.02055	0.8
218.05807	0.9
219.02789	0.7
231.02879	0.6
233.04468	0.7
235.02541	0.8
253.18033	3.0
255.19669	1.2
269.17578	1.5
271.19122	42.3
272.19409	2.7
273.20703	1.8
292.05795	2.3
333.09698	1.8
335.04193	0.7
336.04828	4.9
373.09113	0.8
397.78040	0.6
415.09848	0.8
415.23151	1.7
433.24387	100.0
434.24756	11.6
454.27844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
57.03321	1.7
58.00455	0.9
58.97847	0.4
59.01252	12.0
61.69211	0.4
66.19795	0.4
67.01768	0.6
68.99672	0.8
71.01253	9.8
71.58977	0.8
72.99174	1.4
73.02814	2.9
76.95215	0.4
78.95767	0.4
79.20303	0.4
83.01250	3.0
85.02814	5.0
85.99986	0.5
87.00742	3.1
89.02301	2.0
93.03320	1.4
95.01244	1.3
95.04922	0.6
96.95902	0.5
97.02835	0.6
97.06465	0.7
99.00764	1.6
99.04380	0.8
101.02306	6.1
103.05428	0.5
105.03347	0.6
108.02045	0.5
109.02811	0.7
111.00749	0.8
111.04411	0.5
113.02344	2.8
115.57195	0.4
117.03343	0.5
119.03366	0.9
119.04871	1.8
120.99506	0.6
121.02837	0.7
125.02346	0.5
127.00276	1.1
132.62306	0.4
133.02853	1.8
134.03624	0.9
135.04399	1.7
144.85037	0.4
145.02907	0.7
146.03622	1.3
147.04416	6.3
148.05208	2.7
149.05939	0.9
150.03105	1.1
153.12743	1.8
154.60185	0.5
155.14377	0.6
157.01334	1.0
159.04315	0.8
160.05161	0.5
161.02328	2.0
161.04543	0.7
161.06004	1.7
163.03940	2.2
173.04475	1.1
173.05894	0.8
174.03102	1.5
175.03940	3.3
177.01947	0.6
187.03912	1.4
188.04652	0.5
189.05484	1.3
191.03409	5.6
191.05496	3.3
192.04115	1.0
199.03937	0.7
199.13330	3.6
201.05521	0.8
209.11780	0.8
214.05295	0.4
217.01416	0.5
218.02156	0.7
218.05833	0.5
219.02913	1.2
228.13745	0.8
229.04941	0.6
231.03030	0.9
241.18115	0.6
253.18082	2.9
255.19687	0.9
260.49506	0.5
269.17517	1.4
271.19131	35.6
272.19629	2.2
273.20599	1.1
289.10904	0.4
291.05157	1.2
292.05826	2.1
333.09659	1.9
336.04840	6.5
337.05173	1.3
355.44241	0.5
373.09299	1.2
403.10229	1.8
415.10501	1.6
415.23459	0.9
433.12375	2.3
433.24396	100.0
434.24695	9.5
439.38507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22122	2.8
59.01248	15.8
59.80654	2.7
60.73627	2.8
64.96881	4.8
66.97336	3.3
68.99664	2.9
71.01231	15.1
71.78979	3.0
72.99183	100.0
75.00731	7.9
83.66086	2.9
85.02825	6.1
87.00778	3.9
89.02341	6.6
89.95559	2.9
95.01247	3.8
95.54349	3.5
96.95922	4.8
101.02325	6.4
105.01856	5.3
106.48515	3.4
107.04940	5.2
113.02339	5.9
115.86914	2.6
119.03348	5.6
121.02827	10.5
123.00774	18.3
135.00841	3.1
135.02892	14.1
135.04378	5.9
136.01530	3.8
138.03110	34.2
147.02831	6.8
147.10019	3.6
151.00270	33.0
151.03934	6.2
152.01031	7.1
153.01849	23.2
153.05482	49.0
163.00272	18.0
165.01909	3.9
166.02631	42.9
167.03177	3.5
178.02646	20.2
179.03427	8.5
180.00595	26.6
181.01396	19.0
181.04964	50.3
183.06473	7.9
191.05545	5.8
193.04959	18.9
195.02914	27.2
195.06525	6.6
196.03580	6.4
209.04491	36.8
210.04933	5.9
211.05994	40.0
211.07619	30.1
223.06032	4.9
229.08571	8.5
255.06577	7.9
273.07700	8.0
391.41238	3.6
435.11792	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	435.1288
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
59.01242	2.6
69.70391	0.7
69.70734	4.7
71.01247	4.2
72.99171	3.5
73.02811	1.3
75.00742	5.9
80.46114	0.7
83.01238	0.9
85.02812	1.1
85.48675	0.7
87.00715	1.1
89.02308	2.4
93.03321	3.2
96.95853	0.9
99.00715	0.7
101.02306	2.6
105.01823	1.2
107.04900	13.9
108.02060	0.7
113.02308	0.9
119.03422	0.8
121.02836	26.8
123.04395	0.9
132.02962	0.7
135.02846	2.2
135.04393	7.2
143.04941	0.9
147.02834	2.0
153.05472	0.9
166.02579	0.8
169.06508	2.2
179.03476	3.5
183.08041	0.9
191.01909	1.1
191.05479	1.2
192.06081	0.8
196.05006	0.8
209.06108	3.6
210.06755	0.7
211.07578	100.0
212.07961	5.9
218.24834	0.6
229.08640	25.2
230.09068	0.8
255.06580	26.4
256.06839	1.7
273.07654	13.4
274.07880	1.7
315.56345	0.6
341.08789	2.3
406.83032	0.8
417.11801	3.0
435.12927	7.8
435.18555	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	435.1291
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
50.34103	0.5
57.12428	0.6
59.01241	2.3
61.98695	2.4
71.01246	3.0
72.99176	1.4
73.02827	0.8
75.00751	0.7
80.83139	0.5
85.02812	0.9
93.03330	2.2
96.95895	1.0
98.19837	1.5
99.00755	0.6
101.02319	1.0
107.04900	15.3
113.02319	0.7
117.03273	0.6
121.02841	26.7
122.03149	0.8
123.04421	1.1
135.04417	7.3
143.04886	1.3
151.03917	0.6
169.06528	1.7
179.03392	3.5
191.05548	0.9
196.05199	1.0
209.05992	3.7
209.49471	0.5
210.06752	0.7
211.07573	100.0
212.07967	6.2
229.08638	15.2
230.08908	1.5
237.05635	0.6
255.06586	22.2
256.06955	1.3
273.07669	11.7
341.08813	1.5
417.11887	3.6
435.12933	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	435.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26974	1.5
52.35379	1.4
57.13705	1.3
59.01250	100.0
68.99680	6.2
69.03322	8.8
71.01254	18.4
72.99181	17.9
73.02811	2.9
75.00747	2.3
83.01271	2.0
85.02819	4.4
87.00735	2.2
88.03889	1.6
89.02321	17.8
93.03358	1.9
95.01324	2.2
98.19824	3.7
99.00742	2.1
101.02321	37.4
111.00758	3.9
113.02336	5.2
119.03390	8.0
123.00787	7.0
127.03893	2.7
132.02898	2.4
135.00740	1.6
138.03123	7.7
143.03369	3.8
151.00262	10.1
152.01097	1.4
153.01869	4.9
153.05479	9.2
155.03394	3.1
161.04416	3.4
163.00287	4.7
166.02611	11.6
173.04376	1.7
178.02565	1.6
179.05551	4.1
180.00575	6.5
181.01328	4.4
181.05014	9.7
183.06401	2.3
191.05518	7.9
193.05031	3.9
195.02979	7.0
196.03709	1.6
209.04492	7.2
211.06046	6.3
213.07683	6.8
218.01593	1.4
227.09175	4.3
227.67865	1.4
253.36777	1.4
271.10785	1.8
290.53598	1.3
419.15164	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	435.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45773	1.4
59.01249	100.0
60.01572	1.6
64.50726	1.5
68.99680	3.9
69.03328	8.7
71.00882	2.0
71.01250	20.4
72.99178	18.1
75.00757	1.8
76.46078	1.2
83.01250	1.5
85.02829	4.5
85.96486	1.3
87.00750	3.7
89.02307	20.5
95.01261	3.2
98.20670	2.6
101.02315	34.9
111.00753	4.3
113.02305	6.3
119.03352	7.0
119.04823	1.6
122.74161	1.4
123.00779	4.0
127.03870	1.6
132.02893	3.3
132.84947	1.6
136.24582	1.3
138.03090	5.5
143.03383	5.4
151.00316	7.2
153.01807	3.2
153.05446	8.6
155.03360	2.3
161.04453	1.8
163.00272	3.6
166.02635	12.6
178.02557	4.1
179.03310	1.7
179.05470	4.7
180.00577	4.0
181.01248	4.6
181.04979	7.8
191.05533	10.7
193.04985	1.9
195.02948	5.0
195.06531	1.6
199.09702	1.6
205.50879	1.6
209.04457	3.5
211.06082	6.7
213.07617	9.4
227.09186	6.1
435.26129	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	435.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.9
58.00459	3.3
58.53498	1.7
59.01247	67.5
68.99702	2.3
69.58896	6.9
69.59329	5.8
71.01254	48.5
72.99176	5.0
73.02831	4.2
75.00742	6.4
80.11227	1.8
81.03319	2.4
83.01245	2.9
83.04848	1.9
85.02827	7.6
87.00759	4.9
89.02314	30.6
93.03328	2.8
95.01258	5.0
95.04921	3.0
97.06460	11.4
99.00735	2.7
99.04356	2.2
101.02314	25.7
107.04926	3.1
109.02775	1.8
109.06444	2.3
112.34195	2.0
113.02342	12.0
115.00238	5.6
119.03357	12.3
119.04905	1.9
120.05737	2.0
123.04442	1.9
125.05116	3.0
125.05971	26.1
127.03876	1.7
127.07503	4.3
131.03383	2.6
133.01338	4.3
137.05978	3.2
143.03354	2.3
145.04944	2.3
147.26917	1.6
151.11192	21.9
155.03404	5.1
155.10609	1.8
161.04501	3.6
163.11172	9.8
165.09181	10.8
165.12759	2.6
167.60094	1.9
171.10138	2.0
175.11179	9.8
179.03819	1.5
179.05507	6.3
179.10680	4.9
181.12262	25.5
191.05547	15.5
193.12285	6.8
195.10211	15.5
199.09659	14.4
207.10266	3.3
219.10086	3.2
225.11275	100.0
226.11653	4.8
237.11296	30.4
255.12332	33.7
255.15335	2.4
255.16035	2.3
273.20709	3.3
405.17493	4.7
417.36685	1.8
435.13049	2.1
435.22372	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	437.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.6
59.59565	0.3
68.87932	0.4
69.52705	3.2
71.01261	0.9
75.00768	0.4
79.95605	43.0
80.96395	1.0
85.02824	1.0
93.03329	1.6
96.95892	6.8
101.02317	0.4
108.02029	0.9
109.02875	0.9
111.04409	0.6
121.02839	4.0
122.03603	2.0
123.00761	0.4
123.04437	0.4
124.52715	0.4
134.03606	1.2
135.04431	0.8
136.01553	65.8
137.02226	1.8
139.11937	0.4
144.35944	0.4
147.04575	0.4
149.06047	0.5
150.03035	0.5
151.03908	100.0
152.04248	3.4
159.04483	1.1
160.05190	1.4
162.03156	1.0
163.03912	1.6
173.04446	2.0
175.03937	0.8
175.07555	1.4
177.05527	1.2
179.03465	0.6
180.04179	0.5
187.03986	0.5
189.05501	0.6
191.05531	6.8
191.07129	0.7
292.83624	0.4
311.12906	0.9
342.11014	5.6
343.11191	0.5
357.13419	14.0
358.13925	1.4
422.06815	0.6
437.09076	99.1
438.09415	10.2
438.15463	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	437.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37370	4.7
54.44004	4.8
54.99478	5.0
56.19257	4.3
57.03316	7.4
59.01254	33.6
69.50597	35.5
71.01238	30.7
73.02812	6.9
75.00710	4.8
85.02805	8.8
87.00733	9.4
89.02302	14.0
96.96851	11.1
101.02312	17.4
113.02317	7.1
131.03419	6.1
134.03590	9.1
135.04407	5.5
136.01544	17.4
149.05945	9.0
150.03172	4.7
151.03880	22.3
161.04425	11.6
165.01859	9.7
179.05513	6.4
180.04184	7.8
180.98982	5.9
191.05457	10.4
195.06517	7.5
203.10744	29.0
211.07544	19.2
212.07899	12.2
213.08141	14.0
221.11777	63.4
231.06641	7.5
257.07101	7.2
258.07590	8.3
275.05624	6.5
276.08713	7.6
294.36838	4.9
334.14093	5.5
389.12347	5.7
401.17996	14.4
437.15765	100.0
438.15793	4.7
464.39063	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	437.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.1
57.03316	0.5
58.76556	0.4
59.01240	1.1
67.01769	1.0
69.03324	100.0
70.03653	1.7
70.92365	1.1
71.01244	2.2
72.99171	2.1
79.01779	1.2
80.30466	0.4
84.96015	0.4
85.02831	1.6
89.02338	0.4
95.01266	2.4
97.02826	17.9
97.06495	0.5
99.00752	24.7
99.04390	0.5
101.02303	0.8
113.02298	0.8
115.37637	0.4
123.00751	0.9
127.54559	0.4
141.01820	8.0
171.10225	0.6
185.00833	57.1
186.01189	1.6
191.05527	2.2
209.11647	0.6
211.14455	0.5
232.14439	0.4
248.26103	0.4
251.16460	2.0
268.44193	0.5
283.21597	0.4
305.11749	0.4
305.19778	0.5
307.63443	0.4
349.14386	0.9
391.82913	0.5
410.24451	0.5
437.18179	7.8
437.23865	0.9
438.18353	0.7
439.08139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82521	1.0
57.03310	3.9
57.46816	1.0
58.54346	0.9
59.01246	17.9
67.01743	1.3
69.03323	42.4
71.01244	10.8
71.04885	1.5
72.32672	0.9
73.02809	2.4
75.00762	1.6
78.95766	1.3
79.01761	2.9
85.02833	5.2
85.06511	1.0
89.02321	1.8
93.03341	2.2
95.01251	7.6
97.02822	62.5
98.03216	1.2
98.20625	2.1
99.00730	4.8
99.04391	9.4
101.02324	4.6
109.02837	1.2
110.37777	1.0
111.00734	1.5
113.02318	1.7
113.15936	0.9
119.04960	1.1
123.00769	4.1
129.01854	7.2
130.37675	0.9
133.02826	1.8
134.03629	5.2
137.02319	1.1
141.01823	100.0
142.02200	2.1
150.03119	1.0
160.01591	1.9
161.04417	2.5
169.29965	0.9
172.92162	1.0
173.04462	1.1
177.01869	1.7
178.02577	2.0
181.12314	1.2
185.00836	16.1
191.05516	7.4
209.11765	3.4
231.29927	0.9
235.62306	1.1
251.16481	60.9
252.16844	3.9
275.09314	4.5
277.65085	1.1
277.71619	1.0
305.19559	1.1
307.11765	1.5
335.20764	1.2
340.07675	1.8
437.18161	22.6
437.24197	1.6
438.18530	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	439.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55274	0.5
56.39774	0.4
59.01241	0.5
65.69458	0.4
71.01276	0.6
71.46083	1.0
79.95605	43.5
80.96407	1.1
95.95108	0.9
96.95891	11.0
121.02845	2.7
122.03596	1.3
123.00755	0.9
123.04386	0.6
136.05202	0.8
137.02283	0.8
143.04926	0.7
147.04434	2.4
149.02318	1.3
150.03134	5.1
151.03909	0.7
157.89543	0.5
158.03661	2.3
159.04422	6.0
160.05206	23.3
161.05984	5.6
163.03902	3.3
164.04730	5.4
168.04243	0.7
173.04652	0.7
173.05956	2.8
175.07555	22.0
176.04652	0.6
176.07884	1.1
177.05482	5.9
178.06268	7.4
191.07080	0.5
192.07779	1.5
193.08626	2.8
248.99292	0.4
269.08109	1.4
282.76862	0.4
283.09781	0.5
293.07382	0.4
299.09201	0.9
311.09183	1.0
314.11743	2.9
326.11533	1.5
329.13922	36.6
330.14294	3.7
341.14020	1.2
409.09833	0.5
424.08600	0.5
439.10632	100.0
440.10977	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	439.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52921	0.1
53.77706	0.1
54.33562	0.1
59.01233	0.6
61.98674	0.1
69.03303	0.2
71.01247	0.3
71.19678	0.2
79.95599	7.7
80.96378	0.2
81.95175	0.6
85.02808	0.3
93.03334	0.4
95.95126	0.2
96.95883	100.0
97.95802	0.3
98.95499	0.1
101.02321	0.2
110.97459	0.6
113.02345	0.1
119.28211	0.1
120.99529	0.2
121.02828	0.6
135.04378	0.3
136.01543	1.4
137.02306	0.6
147.04411	0.5
151.03899	1.7
152.04233	0.3
153.04428	0.2
161.02353	0.3
161.04495	0.1
161.79430	0.1
175.03824	0.2
191.05511	0.6
216.97975	0.2
240.04268	0.3
268.97217	0.2
269.08139	2.1
271.09686	0.3
277.07092	0.2
281.08173	0.3
283.10031	0.1
299.09271	1.6
300.09918	0.3
314.11581	2.1
315.12164	0.5
329.13885	0.5
338.80920	0.2
357.13498	0.2
359.14511	0.2
370.58035	0.1
424.08099	0.3
439.10605	36.8
439.97641	0.2
440.10950	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	439.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
59.01248	100.0
62.99995	0.7
70.04186	4.2
71.01256	6.3
73.02819	1.1
77.48413	0.6
83.01237	1.3
85.02840	2.8
89.02341	2.0
101.02316	5.9
113.02349	2.5
118.97975	1.3
127.00370	0.8
145.03972	56.5
145.51917	0.7
146.04340	2.3
159.02838	0.9
161.04416	4.3
191.05644	1.2
233.96333	0.6
379.14914	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	439.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	2.2
57.03296	2.5
58.42364	2.0
59.01249	100.0
62.51374	2.2
63.10021	2.0
67.75813	2.1
69.72457	15.7
71.01252	73.2
72.97432	3.7
72.99180	4.0
73.02821	5.6
83.01256	4.5
85.02817	12.2
87.00757	3.8
89.02315	87.9
95.01273	4.3
96.77459	2.2
96.95899	5.5
99.00778	2.2
101.02318	40.1
113.02330	21.5
118.97998	5.5
119.03395	21.4
125.89874	2.1
131.03401	15.8
143.03381	3.7
149.04456	32.7
150.03117	9.0
161.04453	6.3
165.01810	3.3
165.05447	6.0
171.08972	2.4
179.05518	25.1
180.04286	3.7
191.05547	10.0
195.06589	7.2
222.40092	2.3
247.11821	12.9
293.16162	6.1
379.16101	46.5
380.16376	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	441.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93686	4.9
56.61851	4.1
59.01239	17.2
68.99355	4.6
68.99683	19.9
69.03332	4.3
69.67188	24.4
71.01250	15.1
71.18158	3.6
74.98960	9.5
79.95608	11.9
79.99556	4.1
80.96407	6.5
81.95180	10.4
85.02814	5.8
86.01723	4.3
87.86869	3.8
89.02298	9.9
96.95870	24.0
98.95447	36.4
99.00726	14.0
101.02311	15.7
104.41163	4.6
109.12818	4.5
118.97974	100.0
119.04917	6.5
121.02872	5.8
123.04395	6.1
127.03956	5.2
134.03590	9.8
135.04359	8.7
149.02313	13.0
152.56429	4.5
163.03934	6.1
165.04033	9.5
165.05435	10.5
175.54825	3.8
191.05502	12.1
209.04443	19.3
255.76381	4.5
275.09308	6.9
276.50760	4.3
293.10324	7.7
423.12643	6.2
441.09647	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1401
Annotation	Hymenoside P
Peak:m/z	Relative Intensity
55.01744	2.1
57.03312	1.8
59.01248	11.8
65.84227	0.6
67.01754	0.6
69.03327	1.5
69.67252	5.2
71.01249	3.8
71.04892	4.9
72.99184	1.2
73.02818	5.0
75.00751	2.5
78.95769	2.6
79.95636	1.3
83.04907	0.7
85.02832	6.0
87.00751	2.4
89.02325	1.1
93.03332	7.0
96.95881	0.8
97.02801	1.4
97.06491	1.6
98.20533	1.0
101.02312	1.8
109.02853	0.9
111.04400	1.2
113.02310	0.9
117.03352	2.4
117.05458	20.7
118.97996	0.8
119.04953	1.5
120.99525	1.3
121.02832	1.1
126.48860	0.7
127.03915	0.8
129.01801	3.3
132.02077	3.8
133.02843	19.4
133.04958	1.7
134.03638	11.1
135.04419	32.4
136.01584	0.9
136.04674	1.2
137.02327	3.9
147.02872	7.3
152.99449	1.7
155.03384	1.1
160.01585	5.6
161.02345	100.0
162.02742	3.5
163.03902	1.9
165.03934	2.4
169.12279	3.9
173.04515	3.9
177.01828	4.5
178.02628	8.3
179.01810	1.6
179.03416	32.0
180.03784	1.3
185.00821	1.0
187.07475	1.3
189.12730	1.2
191.05536	23.8
192.05849	1.6
211.07571	4.0
213.11282	2.5
215.07120	2.5
219.13831	7.8
223.13396	0.9
231.10191	1.3
267.12335	2.3
267.15924	1.8
269.65204	0.6
275.09308	5.6
279.08682	9.4
280.11804	0.8
293.10287	7.2
323.07703	57.6
324.07962	3.6
337.09344	1.7
341.08734	13.5
342.09137	1.1
423.86078	0.7
440.63455	0.8
441.14197	16.2
442.14896	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	441.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18395	0.7
55.81623	0.8
57.03311	1.0
59.01255	2.1
63.36584	0.8
69.71087	4.2
69.71495	1.3
71.01236	2.5
72.51924	0.8
73.02825	1.0
75.82191	0.8
80.21042	0.9
85.02868	1.7
87.00730	1.0
89.02306	1.8
93.03318	1.0
101.02304	1.4
115.03891	1.5
119.04913	92.9
120.05233	3.2
120.99519	0.9
133.04967	2.6
145.02841	1.7
159.17563	0.8
163.03918	100.0
164.04242	3.3
165.30431	0.8
235.09750	0.9
236.30589	0.9
244.97397	1.0
275.09204	1.4
279.08725	1.9
325.09229	10.6
407.45755	0.9
439.60641	0.9
441.13895	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	441.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	5.1
57.03310	2.9
59.01250	55.4
60.01598	2.3
60.91929	1.6
61.01664	2.4
69.03328	2.4
71.01254	37.6
71.58270	2.0
71.58986	2.0
72.99181	4.8
73.02811	16.9
75.00727	4.3
83.01290	8.2
85.02817	16.4
87.00723	4.7
89.02307	9.3
93.03302	1.9
95.01279	2.8
96.85909	1.6
96.95883	1.9
97.02838	1.8
99.00752	8.0
101.01689	2.6
101.02325	35.5
102.95223	1.8
113.02331	16.6
118.97990	3.5
119.03362	2.9
121.02832	1.8
134.03590	3.4
135.04424	2.6
138.01868	2.6
143.03413	3.2
145.03958	7.9
146.04323	5.0
146.58739	1.8
147.04549	2.3
148.83958	1.8
159.02893	4.0
161.04430	12.5
165.03967	9.7
179.05580	2.1
191.05547	12.5
231.10085	3.3
243.96910	1.7
249.13397	100.0
250.13596	4.2
275.09192	7.4
292.79514	1.9
293.12665	2.0
295.27023	1.7
312.22968	1.7
320.28839	1.6
339.63641	1.9
381.17691	60.3
382.17880	4.4
441.12372	2.8
442.13181	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	441.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	3.9
57.03326	6.1
59.01247	89.5
70.92326	6.7
71.01250	44.8
72.99181	3.7
73.02810	18.5
83.01252	14.7
85.02810	31.2
85.03194	2.5
89.02324	7.9
95.01256	3.8
97.02850	2.7
98.02335	2.7
99.00739	8.2
101.02316	58.7
113.02324	20.2
115.03933	3.4
119.04917	25.1
120.99491	3.1
125.02293	3.9
161.04478	18.8
163.03922	31.1
235.11804	93.5
236.12067	3.9
265.92578	3.0
302.80203	2.5
381.17606	100.0
382.18140	5.4
398.51373	3.0
441.13840	3.3
465.44699	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	441.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.8
58.00463	1.1
59.01248	33.3
60.12108	0.8
70.64599	2.0
70.64941	0.9
71.01249	42.7
72.01565	1.1
72.99182	15.2
73.02812	1.5
85.02823	1.8
87.00724	1.0
88.14024	0.9
88.61642	0.7
89.02317	1.7
97.06455	1.9
101.02330	2.3
111.08050	9.2
113.02358	1.9
115.00252	28.5
121.02835	2.1
123.08032	1.8
125.09612	15.5
127.11163	6.3
133.01324	27.0
135.07973	1.0
137.09633	5.6
139.11162	1.1
141.09117	1.8
144.78818	0.9
151.11205	2.7
153.09117	2.6
155.10654	2.1
161.04430	0.9
164.08325	1.3
165.09018	1.5
165.12663	1.0
166.72215	0.8
171.10147	9.6
191.05545	1.2
195.10162	2.5
199.09706	2.4
201.11246	40.9
202.11658	1.6
209.11835	1.5
213.11247	32.2
214.11752	1.6
227.12825	3.7
228.13170	1.1
245.19131	2.4
251.11406	4.3
252.11374	0.9
279.19547	1.6
289.18085	11.0
290.18457	1.2
293.12451	4.7
307.19113	32.8
308.19495	3.0
316.81238	0.9
325.20172	100.0
326.20538	7.9
328.48190	0.9
423.20151	3.0
436.90588	1.0
441.14017	1.3
441.21185	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	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14426	0.3
57.03312	0.4
58.00462	0.4
59.01249	100.0
60.01582	0.6
69.03339	0.3
71.01245	4.9
71.30152	0.3
72.99163	0.6
73.02804	1.4
75.00764	0.3
82.04379	0.2
83.01280	0.5
85.02836	1.6
85.13276	0.3
87.00759	0.8
89.02319	2.7
93.03334	1.1
95.01272	0.6
96.95897	1.1
97.06501	0.5
99.00748	0.4
101.02316	2.4
107.42314	0.3
113.02316	2.6
119.03396	1.2
119.04959	0.3
120.29494	0.3
131.03546	0.3
134.03687	0.3
134.04631	0.7
135.98154	0.3
137.02405	0.4
139.11150	1.9
161.04411	0.4
161.22690	0.3
163.03902	0.3
167.10658	0.7
173.04497	1.0
183.10172	0.4
191.05547	3.4
197.11794	0.3
201.11214	2.3
204.17705	0.3
215.07027	0.5
215.12845	1.6
217.00238	0.4
231.10236	0.3
237.11487	0.3
254.09021	0.4
286.91235	0.3
293.21213	2.3
333.20776	0.8
379.25064	0.3
381.17535	0.3
381.22714	0.4
397.42871	0.3
399.23874	1.2
441.14386	1.9
441.23697	0.5
452.25629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.04630	1.3
59.83733	1.4
69.78639	5.9
69.79048	3.4
79.52196	1.5
98.19803	3.0
107.74472	1.3
151.11169	2.5
169.12239	2.4
171.10127	5.1
178.63223	1.4
185.41737	1.6
213.11255	1.5
217.00275	1.7
289.18057	2.4
307.19022	4.3
327.63040	1.5
422.11407	1.6
441.24600	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	443.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.0
61.98705	0.8
65.96863	0.5
69.88198	2.9
71.01252	4.1
72.99190	1.2
79.95583	3.7
80.96385	1.5
81.62574	0.7
87.00754	0.7
89.02314	2.0
93.02811	0.6
95.95123	0.9
96.95885	100.0
99.00714	0.7
101.02309	2.2
102.46673	0.5
108.02049	26.3
113.02283	1.1
119.03376	1.3
119.04935	0.7
122.97477	1.5
123.04408	12.7
135.04335	1.2
150.03087	0.7
152.01050	61.0
153.01369	1.8
161.04576	0.7
162.03056	1.1
163.03850	1.2
165.05487	0.8
167.03401	78.5
168.03725	2.4
195.06618	0.7
275.02289	8.1
327.08545	0.7
428.16394	0.7
443.06409	26.1
443.19394	3.6
444.06714	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	443.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50471	1.3
57.03350	1.6
58.00469	2.0
59.01247	41.4
67.01739	1.4
67.55121	1.4
69.03320	40.3
71.01247	22.4
71.38500	3.5
72.99174	5.7
73.02853	1.8
83.01228	2.4
83.50053	1.4
85.02813	6.0
87.00745	8.8
89.02309	26.0
92.25008	1.3
93.03320	3.1
95.01254	1.7
95.04897	29.6
96.95878	4.9
97.44637	1.4
101.02306	14.0
113.02319	12.8
119.03393	8.2
119.04887	7.8
121.02818	7.8
121.06465	6.9
123.04362	3.7
129.06999	1.6
135.04362	3.5
139.03917	23.1
147.04568	1.6
147.08049	8.6
149.02243	1.8
152.01038	2.6
161.02324	1.6
163.03909	7.4
165.01764	3.5
165.09129	3.4
167.03358	4.8
175.07446	2.4
179.03267	2.5
180.42746	1.5
191.07056	6.9
193.01317	5.2
193.04919	2.9
211.02367	7.0
219.06555	5.5
237.07530	1.6
253.04541	2.3
343.17319	1.7
371.13727	1.7
382.04395	1.5
399.12927	3.9
418.43094	1.8
427.76947	1.6
443.11877	100.0
444.12003	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	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
53.31315	1.0
54.85825	0.9
55.01757	1.2
57.03318	1.4
58.00455	2.3
59.01251	29.0
62.47335	1.1
69.03284	1.0
71.00887	1.8
71.01254	21.4
71.57827	1.2
71.58295	1.3
72.99186	1.7
73.02818	3.1
74.45210	0.9
77.87875	0.9
83.01270	2.8
85.02825	7.9
87.00748	1.5
89.02318	19.2
95.01254	2.2
96.95915	5.0
101.02322	20.2
106.97339	1.0
108.02094	1.0
109.31511	1.0
113.02306	8.8
113.42260	1.1
115.24620	1.0
119.03380	8.5
135.04456	1.8
152.01053	2.7
161.02341	1.7
161.04434	1.3
161.32263	1.1
167.03386	4.2
178.72067	1.0
191.05611	1.1
269.96912	1.3
323.07858	1.3
443.19183	100.0
444.19595	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	443.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54290	0.5
56.49661	0.4
57.03317	3.7
57.98340	0.4
58.00469	1.2
59.01251	3.6
61.32066	0.4
62.63696	0.5
68.91324	0.4
69.03317	0.5
71.01249	35.0
71.58549	0.5
72.99181	12.2
73.02824	0.6
83.04897	1.0
85.02814	1.1
87.00723	1.0
87.04344	0.4
89.02322	1.0
93.25493	0.4
96.95874	1.1
97.06438	0.8
99.00751	0.9
101.02329	0.6
109.06488	1.1
113.02261	0.4
113.09601	9.7
114.09933	0.6
115.00247	22.4
121.02827	0.5
123.08092	0.8
124.06948	0.5
125.05917	0.6
125.09607	4.8
127.11171	5.4
133.01314	23.8
135.08046	0.7
137.09595	1.6
139.11137	0.7
141.09070	1.6
141.12726	0.4
148.05070	0.5
148.42503	0.5
151.11179	1.8
153.09109	0.9
155.10620	1.5
163.11201	1.3
165.09157	2.1
167.10660	0.6
169.12204	0.7
171.10202	4.3
173.05952	0.7
177.09024	0.5
183.10219	0.5
185.11809	0.4
191.05521	0.9
195.10176	2.3
199.09674	1.6
199.11304	0.5
201.11240	41.1
202.11661	2.1
207.10234	2.2
209.11748	1.1
211.04019	0.5
211.13393	0.4
212.20935	0.5
213.11255	25.4
214.11676	0.9
227.12837	2.5
229.05081	0.5
229.08672	0.7
243.10370	0.4
247.20735	0.8
253.09239	0.6
257.08127	0.6
258.08984	0.9
259.09644	0.5
265.21954	0.5
284.10519	0.7
286.08508	0.7
291.19632	5.9
302.11502	0.6
309.20685	11.5
310.20874	1.4
327.21735	100.0
328.22037	8.7
377.52524	0.5
425.21964	3.1
426.22522	0.6
443.16333	3.0
443.22879	4.2
443.66931	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	443.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92260	0.6
56.48096	0.6
57.03312	1.9
59.01249	4.3
59.23812	0.6
69.03310	3.1
71.01247	25.7
71.58812	0.9
72.99179	8.9
73.02818	0.9
83.04902	0.7
84.72939	0.6
85.02824	8.0
87.00764	1.7
87.67914	0.6
89.02326	1.1
93.03313	1.9
94.71873	0.6
95.04897	0.8
96.95886	0.7
97.02825	1.8
97.06432	3.6
101.02303	0.9
113.02302	0.7
115.00246	8.7
125.09608	1.0
133.01311	3.3
133.02896	0.7
135.04413	1.1
137.09625	2.2
152.56554	0.6
165.12689	0.6
171.10165	19.7
173.04474	1.4
183.13806	2.9
183.73123	0.6
185.11725	1.0
189.05678	0.6
191.05563	4.8
193.12271	0.7
197.11761	0.8
199.03986	0.6
201.11206	1.2
207.10187	1.8
209.11656	1.0
211.13304	11.7
212.13525	0.8
221.11775	2.4
229.14362	8.0
239.12880	0.9
284.10394	0.7
291.19666	3.0
309.20749	1.1
310.73010	0.6
327.21729	100.0
328.22031	6.9
425.21628	3.9
443.22681	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	443.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.9
61.80402	0.8
62.31353	0.9
63.22001	0.9
64.23724	0.9
64.34637	0.8
70.05412	2.2
70.05818	2.4
92.99992	1.3
110.32739	0.9
133.65500	0.9
159.08374	4.0
161.06274	2.0
173.85085	0.9
256.00446	0.9
277.07565	2.3
345.14026	1.0
357.13953	2.4
359.15326	100.0
360.15555	10.1
425.20297	1.0
427.21555	52.6
428.21637	6.3
443.24774	9.0
444.25037	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	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01604	0.7
61.98696	1.1
70.52553	0.6
71.01263	0.7
78.51299	0.7
86.53732	0.6
87.33012	0.7
90.93890	0.8
96.95871	0.9
111.12385	0.7
121.28986	0.5
179.86520	0.6
190.48547	0.7
207.10263	0.6
208.44594	0.6
238.19421	0.6
274.02911	1.3
291.19635	1.1
309.20718	3.7
383.13126	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	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39171	1.1
59.01247	100.0
71.01260	1.8
71.04844	1.1
71.58785	2.8
74.53086	1.3
84.87035	1.1
89.02290	1.6
96.95908	2.8
111.17150	1.2
217.00232	2.6
237.57126	1.3
291.19638	2.0
309.20737	3.9
324.57733	1.3
367.59631	1.5
395.88434	1.3
443.27890	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	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01574	0.9
65.79379	0.7
69.03323	0.6
70.04144	3.1
71.01266	2.3
72.62218	0.6
81.03371	0.6
81.26223	0.6
83.04879	0.7
89.02328	0.8
91.03910	1.2
96.95889	3.0
101.02330	1.6
109.06477	5.2
111.08053	1.3
121.06506	0.6
135.04427	1.0
163.11203	2.7
163.12460	0.7
169.12279	0.7
171.10237	1.1
172.27719	0.8
197.11850	2.3
207.10193	7.7
253.09302	2.3
278.82043	0.7
291.19699	4.0
309.20740	5.9
317.31592	0.7
376.15738	0.8
443.53806	0.7
467.25656	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	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
59.55505	1.1
61.34280	1.0
61.98710	1.8
67.41874	1.1
71.01256	2.8
71.58247	1.8
86.85358	1.0
89.02312	2.0
91.03889	3.7
92.92683	1.6
96.95881	17.4
99.92471	1.5
101.02319	1.2
109.06464	5.6
111.08008	1.4
113.67638	1.1
115.91953	1.5
121.02793	1.5
135.04410	4.2
163.11156	1.9
165.79503	1.1
191.05525	1.7
197.11763	5.4
207.10187	7.7
253.09328	2.0
291.19699	3.4
309.20551	10.1
328.79205	1.5
354.21063	1.1
443.28473	2.3
446.54919	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10430	0.2
55.01745	0.4
57.03314	0.5
58.00470	0.2
59.01248	10.8
70.01084	1.0
71.01250	5.4
72.99180	0.5
73.02811	1.5
75.00726	0.4
83.01249	0.8
85.02808	1.6
87.00723	1.0
89.02312	5.2
93.03333	0.3
95.01268	0.4
96.95872	0.8
97.02839	0.2
99.00780	0.5
101.02312	4.9
113.02323	2.5
115.00249	0.2
119.03379	1.6
121.02831	0.8
125.02294	0.2
131.03328	0.2
133.04942	0.6
135.02904	0.3
143.03392	0.6
151.07524	0.4
152.08360	0.3
153.09061	1.0
161.04457	2.1
165.12737	0.3
179.05505	0.7
191.05525	0.6
201.11243	1.1
205.12314	0.5
209.11754	100.0
209.73383	0.2
210.12102	5.3
213.11240	0.6
223.13284	0.5
223.17056	0.2
235.08115	1.4
253.09245	10.8
254.09590	0.4
275.09485	0.3
327.21729	1.9
385.18558	0.7
403.22992	0.3
445.24399	1.1
446.24673	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	445.2074
Annotation	Dendroside G
Peak:m/z	Relative Intensity
54.74058	1.7
57.03315	5.7
58.99489	1.8
59.01249	99.2
71.01251	27.4
72.99193	4.4
73.02811	5.5
74.98971	5.3
75.00745	100.0
83.01247	2.4
83.04922	2.4
85.02817	10.6
87.00788	2.6
87.04388	23.2
89.02313	27.4
95.01257	2.4
96.32085	2.1
99.00746	2.4
101.02307	17.4
113.02316	12.1
118.97967	15.0
119.03400	13.6
130.08662	2.3
153.09135	4.8
161.04449	7.1
161.86601	1.7
165.09135	3.2
179.05525	5.4
191.05553	3.3
193.74289	2.0
205.12274	14.6
209.11778	15.8
221.15474	3.6
221.44016	2.2
223.13341	14.9
283.15552	6.1
385.18524	9.8
445.20578	27.5
446.20480	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37476	0.7
57.03321	1.2
57.82838	0.8
58.00462	1.6
59.01247	100.0
60.01568	1.2
69.71982	4.0
71.01250	17.4
72.99186	1.5
83.01247	1.9
85.02819	3.1
89.02309	24.8
95.01270	1.2
97.02850	0.9
98.29437	0.7
101.01653	0.6
101.02313	17.3
108.02051	0.9
113.02335	6.0
119.03379	14.7
143.03406	2.1
149.09482	1.0
153.76610	0.7
161.04451	5.7
179.05487	9.8
179.10663	4.8
205.12274	5.5
209.11656	2.0
223.13348	8.5
235.13336	1.2
237.14938	1.4
247.13405	2.0
265.14417	5.7
307.15613	0.9
367.48026	0.8
445.20807	1.8
464.40881	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03321	3.5
59.01246	100.0
60.01573	1.1
69.03309	0.7
70.99367	1.2
71.01252	6.4
71.04857	0.5
72.77635	0.4
73.02834	1.6
75.00751	1.5
85.02835	2.0
87.00756	0.8
89.02316	2.3
93.03384	0.6
95.04900	0.8
97.06473	1.2
99.00796	0.5
100.83043	0.5
101.02325	3.2
109.06483	1.3
113.02341	3.0
118.97990	1.5
119.03377	0.7
120.99563	0.7
123.04400	2.9
123.08086	1.1
125.02354	0.5
135.08095	0.6
147.08080	1.6
149.09688	1.0
151.11234	1.9
151.78227	0.5
153.09128	1.1
161.04453	10.0
161.05798	0.5
161.09630	1.7
163.07529	0.7
163.11188	1.2
164.08276	0.8
173.04486	0.7
175.11301	0.6
177.12743	0.6
179.10678	43.3
180.11098	2.0
187.11203	3.1
189.09123	1.2
191.05600	2.2
195.13803	1.1
203.10820	0.7
205.12263	35.7
206.12675	1.6
209.11772	2.9
223.13324	8.7
264.78485	0.5
264.97354	0.5
269.33023	0.5
306.08185	0.5
341.16006	4.2
367.17719	2.0
385.18878	1.2
445.19861	2.3
448.49603	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	3.5
59.01249	100.0
60.41027	2.9
65.08386	3.0
69.49921	25.3
70.08430	3.3
71.01249	49.9
72.99184	5.5
75.67633	3.1
85.02808	6.0
89.02315	87.6
95.01262	4.3
96.30198	3.3
99.66239	3.1
101.02334	26.3
105.79250	2.9
107.13076	3.6
113.02331	23.3
119.03359	22.1
131.03412	4.5
143.03455	7.8
151.03941	4.4
161.04411	6.7
179.05540	31.5
239.12733	3.6
243.85573	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84116	0.3
59.01247	3.2
64.16273	0.3
71.01244	0.8
71.22593	0.6
72.27132	0.3
72.99404	0.2
78.95358	0.5
78.95780	5.5
84.43903	0.3
89.02324	0.6
95.20721	0.3
100.06230	0.3
101.02287	0.4
102.93794	0.3
110.98408	4.3
152.99541	0.4
153.09085	0.4
167.01050	3.0
185.02112	4.2
191.05608	0.3
205.12289	0.4
233.22552	0.3
249.37177	0.3
259.20630	0.4
275.20029	0.5
277.21698	100.0
278.22076	6.7
385.18701	0.4
445.23590	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	445.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11447	0.4
59.01249	8.7
67.98176	0.4
69.43005	1.9
69.43430	1.5
71.01231	2.0
78.95775	18.0
89.02295	1.7
96.95887	0.4
101.02309	1.2
104.97310	0.9
110.98412	13.4
113.02277	0.7
117.40183	0.4
119.03378	0.8
136.99951	0.6
151.07593	0.5
152.08318	0.6
152.99420	0.6
153.09125	0.9
161.04556	0.6
167.01054	15.5
173.70320	0.3
179.05487	0.7
183.56763	0.4
185.02130	4.0
201.97598	0.3
205.12314	1.2
223.13380	0.7
259.20517	0.8
275.20135	0.6
277.21701	100.0
278.22043	7.1
303.86255	0.4
366.82764	0.4
385.18869	1.1
445.23587	15.9
446.24020	1.6
461.62207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01587	0.7
69.93824	0.6
71.01254	4.0
72.99189	1.2
75.03053	0.5
79.95624	0.5
83.01294	0.5
83.26183	0.5
85.02800	1.0
89.02312	3.5
91.03880	1.1
93.03310	0.7
94.92415	0.8
96.95877	11.0
101.02321	2.1
109.01096	0.6
113.02340	1.6
119.03413	1.8
121.02810	0.5
143.03455	0.5
143.21823	0.5
152.08305	0.7
152.91714	0.8
152.99522	0.7
153.09137	2.9
161.04471	1.4
179.05513	0.9
185.70473	0.5
205.12297	1.5
207.09966	0.6
209.11902	0.7
211.13332	1.1
223.13451	1.0
229.64957	0.6
263.62442	0.5
293.21338	0.7
310.91556	0.5
311.22266	8.7
329.17377	2.9
345.70071	0.6
385.13586	0.6
385.18741	2.0
390.02814	0.6
445.12369	0.7
469.05518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98669	0.6
59.01247	100.0
61.98694	0.8
69.38345	4.8
69.38747	1.1
71.01258	3.8
77.47572	0.5
85.02790	1.1
87.00723	0.7
89.02316	3.3
91.03896	2.6
96.95887	17.6
97.05750	0.6
97.06389	0.9
101.02325	2.1
119.03413	1.1
121.02828	1.1
152.08357	1.0
153.09081	2.2
161.04482	1.6
161.36670	0.6
166.94778	0.6
179.05542	1.0
191.05595	0.6
193.12328	0.7
205.12292	1.0
209.11867	0.9
211.13445	1.2
223.13335	1.3
235.11211	0.6
239.33368	0.7
293.21030	1.1
306.07483	0.6
311.22266	11.3
343.10754	0.6
385.18704	2.6
388.94153	0.6
406.87067	0.6
445.11847	1.0
445.21887	0.8
447.68692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33517	0.5
54.48144	0.5
59.01247	100.0
60.01585	0.7
61.98695	1.0
64.60947	0.5
69.86423	1.3
69.86834	1.6
71.01245	3.5
84.59586	0.5
85.02830	1.0
89.02296	3.6
91.03898	2.4
96.95885	18.9
98.66063	0.6
101.02322	2.1
113.02336	1.2
119.03370	1.6
143.03429	0.6
151.07594	0.7
152.08389	0.7
153.09109	2.9
161.04440	1.5
179.05611	1.1
181.06523	0.6
181.12315	0.6
191.05511	0.7
202.52553	0.5
205.12291	1.7
209.11736	1.5
211.13226	1.1
223.13390	1.6
247.02281	1.3
293.21399	0.6
307.01819	0.9
311.22272	13.5
312.22607	1.5
326.18753	0.6
385.12524	0.6
385.18796	1.8
427.11349	0.6
445.11722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20542	0.3
59.01243	4.7
62.60877	0.3
62.96276	1.6
70.12067	1.0
71.01244	0.8
73.23472	0.3
78.95770	45.5
89.02299	1.1
90.29652	0.3
96.96838	2.7
98.19890	0.4
101.02308	1.1
113.02293	0.4
119.03389	0.3
123.04321	0.4
123.71562	0.3
148.99991	20.7
150.00345	0.5
155.03391	1.0
158.92433	2.0
179.01053	2.9
205.15877	1.8
225.07655	0.3
238.15923	0.3
333.07025	0.3
347.08154	0.6
417.12259	0.9
425.00452	0.3
431.10266	2.9
432.10925	0.3
447.13376	100.0
448.13669	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	447.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	0.8
59.01249	100.0
60.01571	0.7
68.99679	4.2
69.03331	1.1
69.69338	3.4
71.01250	15.9
72.99186	1.7
85.02839	2.3
87.00732	0.6
89.02313	24.2
95.01265	5.7
101.02319	19.5
113.02337	6.8
119.03390	7.8
121.02840	1.0
123.04404	10.5
131.03380	0.7
137.23735	0.5
143.03424	1.9
151.34395	0.6
155.03401	16.5
158.32939	0.6
161.04533	1.8
175.03862	1.1
179.05556	4.5
181.04935	1.0
192.95927	1.2
193.05084	0.5
201.02507	1.7
217.00279	1.1
220.99542	0.7
225.07620	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	447.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85146	0.6
58.00466	0.9
59.01249	100.0
59.42133	0.7
67.84014	0.7
68.99687	5.5
69.03323	2.0
69.49689	5.1
71.01255	13.2
85.02818	2.0
87.00752	1.0
89.02312	17.4
89.02821	1.2
95.01252	8.0
95.23473	0.6
101.02318	14.6
113.02299	4.8
118.44089	0.8
119.03381	6.4
123.04408	6.3
134.96420	0.8
143.03458	1.1
155.03403	11.5
161.04491	2.3
163.90211	0.7
179.05540	2.1
181.04984	0.8
223.06102	0.8
225.07695	1.6
347.23474	0.7
359.53683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16214	0.4
55.01772	0.5
57.03327	0.7
59.01247	100.0
60.01595	0.9
61.99932	0.3
67.01758	0.7
68.99689	1.6
69.03335	1.0
69.50970	2.2
69.51380	0.5
71.01247	12.8
72.99197	0.9
73.02812	5.0
74.98996	0.4
75.00751	0.6
83.01257	2.0
85.02819	4.2
87.00748	2.1
89.02309	12.6
92.80143	0.3
93.03335	3.0
95.01243	2.3
97.06461	0.6
98.20580	0.7
99.00763	0.9
101.02316	13.9
103.03872	0.4
109.02848	0.5
113.02317	5.2
113.03046	0.4
119.03386	4.1
120.99536	0.8
121.02842	0.4
123.04387	2.7
125.02376	0.8
127.03935	0.6
131.03429	1.0
133.02815	0.4
135.04395	0.8
141.09166	0.3
143.03389	1.7
149.04482	1.6
155.03395	4.1
161.04436	3.5
162.35124	0.3
163.06068	0.7
173.04509	3.1
178.02585	0.5
179.05533	2.1
183.13733	0.4
190.99811	0.8
191.05537	10.1
192.00583	1.0
207.02988	0.9
211.13345	3.8
212.13831	0.4
215.06888	0.4
225.07706	1.4
229.08569	0.4
231.10133	0.4
245.02388	0.4
253.09299	0.7
301.16599	0.5
315.18417	0.6
327.17999	0.4
345.19244	1.2
387.20129	0.6
447.12692	0.7
447.26151	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68612	0.5
57.03325	1.0
59.01250	100.0
60.01587	0.8
64.20013	0.6
69.03313	1.0
70.30431	0.5
71.01254	11.7
71.57907	0.7
72.99185	1.8
73.02829	0.9
82.51222	0.5
85.02822	2.7
87.00774	1.3
89.02320	16.8
93.03345	1.7
95.01250	1.3
96.95906	0.8
101.02328	7.6
102.05477	0.7
106.65918	0.6
113.02360	5.2
119.03384	4.9
126.03855	0.6
128.03484	0.7
131.03432	1.0
143.03427	1.7
143.80850	0.5
145.06136	0.8
146.04543	1.3
149.04497	1.6
155.03476	0.7
161.04428	3.0
179.05536	7.6
191.05576	2.3
270.57925	0.6
273.07675	1.1
283.54648	0.6
293.09000	1.5
387.20331	1.7
390.21863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51711	0.3
53.30424	0.3
53.30679	0.3
58.00460	0.4
59.01246	100.0
60.01582	0.6
66.91546	0.4
69.03326	0.6
71.01247	11.5
72.26752	0.3
72.99187	1.2
73.02832	0.7
85.02815	1.6
87.00764	1.3
89.02309	16.7
93.03361	0.7
95.01292	0.7
101.02309	6.2
113.02329	4.9
113.03606	0.3
119.03378	6.5
125.02351	0.4
131.03412	1.2
137.09637	0.7
141.44640	0.3
143.03418	1.9
146.04460	0.9
149.04471	1.1
155.03406	0.5
161.04442	4.0
179.05522	10.6
180.05923	0.5
191.05548	1.3
203.10667	0.4
207.35345	0.4
221.11916	0.8
246.60400	0.3
251.50343	0.3
257.56918	0.3
273.07773	0.6
279.49969	0.3
293.08960	0.5
343.97906	0.4
387.20193	1.6
447.22421	0.8
448.22430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.4
59.01247	100.0
60.01588	0.9
65.78968	0.3
67.56067	0.3
68.99688	1.0
69.45852	2.2
69.46259	0.7
71.01249	5.4
73.02827	0.9
75.85216	0.3
83.01272	0.5
84.23482	0.3
85.02824	2.3
85.33715	0.3
87.00750	0.4
89.02313	4.5
91.94888	0.4
95.01274	0.8
98.19807	0.8
99.00761	0.4
101.02323	7.5
113.02332	2.8
119.03426	1.4
123.04430	1.1
123.08059	1.3
137.09682	0.4
143.03445	0.3
155.03386	1.0
159.02934	0.6
161.04437	5.2
163.11201	1.2
179.05586	1.2
189.12750	2.0
207.13802	4.2
215.46748	0.4
225.07602	3.8
225.14854	1.7
387.20203	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44857	0.4
51.61142	0.3
55.01732	0.5
57.03306	0.5
57.60029	0.4
59.01247	100.0
60.01580	1.2
67.71017	0.4
70.41911	0.8
71.01250	10.4
72.99171	0.7
73.02829	0.7
79.33603	0.4
83.01268	0.8
85.02820	2.5
86.59332	0.4
87.00770	1.2
89.02312	14.0
93.03326	0.7
95.01279	1.3
101.02309	6.4
113.02345	4.3
118.44146	0.4
119.03379	6.1
123.04410	0.9
131.03395	1.1
143.03400	1.7
155.03423	1.6
161.04515	2.0
173.04413	0.6
179.05516	4.6
191.05504	5.8
209.11685	0.6
227.03467	1.4
229.08505	0.5
255.03041	1.9
284.03363	0.9
285.03970	0.6
297.25262	0.4
378.41647	0.5
387.20465	1.2
441.01001	0.5
447.09622	1.7
447.22247	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.4
58.00464	0.4
58.56853	0.4
59.01247	100.0
60.01601	0.9
60.30785	0.4
68.99686	1.0
69.80999	2.7
71.01252	12.3
72.99183	0.6
73.02835	3.5
76.11839	0.4
83.01257	1.0
85.02802	3.7
86.86157	0.5
87.00739	0.7
88.08112	0.4
89.02314	8.1
89.02824	0.6
93.03325	0.4
95.01292	1.6
99.00770	1.2
101.02312	10.7
110.02325	0.5
110.05802	0.4
113.02322	6.2
119.03372	3.0
123.04417	1.7
129.32532	0.5
131.03427	0.5
143.03415	0.8
149.04478	0.5
155.03432	3.3
159.02908	1.5
161.04449	10.4
179.05574	1.4
191.05515	3.0
216.80840	0.4
225.07678	1.2
266.84567	0.5
325.92392	0.5
370.37192	0.4
387.20169	8.7
388.20621	1.1
434.54263	0.4
447.22546	3.4
448.23099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.4
59.01247	100.0
60.01588	0.9
65.78968	0.3
67.56067	0.3
68.99688	1.0
69.45852	2.2
69.46259	0.7
71.01249	5.4
73.02827	0.9
75.85216	0.3
83.01272	0.5
84.23482	0.3
85.02824	2.3
85.33715	0.3
87.00750	0.4
89.02313	4.5
91.94888	0.4
95.01274	0.8
98.19807	0.8
99.00761	0.4
101.02323	7.5
113.02332	2.8
119.03426	1.4
123.04430	1.1
123.08059	1.3
137.09682	0.4
143.03445	0.3
155.03386	1.0
159.02934	0.6
161.04437	5.2
163.11201	1.2
179.05586	1.2
189.12750	2.0
207.13802	4.2
215.46748	0.4
225.07602	3.8
225.14854	1.7
387.20203	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	447.2596
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
50.80599	0.6
55.01760	1.2
57.03328	1.2
58.00473	1.9
59.01248	82.6
60.01591	0.5
60.44240	0.5
60.88055	0.5
61.26806	0.6
63.79073	0.6
67.01740	1.0
68.99675	3.9
69.03326	1.8
69.26147	2.9
69.26572	3.6
71.01250	22.9
72.39939	0.6
72.99187	2.4
73.02828	4.4
75.00732	0.7
79.28603	0.5
83.01250	3.5
84.02036	0.6
85.02823	10.4
85.99961	1.0
87.00747	3.8
89.02312	20.5
93.03333	5.0
95.01269	6.1
96.95887	5.3
97.02884	0.9
97.06461	2.0
98.19788	1.0
99.00771	2.2
101.02314	22.5
109.02819	0.6
111.00808	1.4
111.04417	1.1
113.02325	9.3
117.01864	0.7
119.03370	8.3
120.99545	0.9
121.02840	1.0
123.04407	8.3
131.03421	1.0
135.04440	1.1
143.03419	1.3
149.02356	0.6
149.04471	1.1
155.03392	11.6
159.02914	0.5
159.04459	0.6
161.04466	1.9
173.04440	4.9
173.05702	0.7
177.01862	0.7
179.05545	3.5
187.07520	0.6
191.05524	18.5
192.05910	0.7
199.07867	0.6
211.13341	0.8
215.07095	1.3
225.07599	3.8
229.01344	1.2
229.08641	1.4
255.06621	0.7
264.04257	0.5
267.19763	1.7
285.20673	6.2
299.05365	0.6
311.05551	0.8
429.24902	2.1
447.25967	100.0
448.26367	10.2
460.48413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01590	12.3
68.99680	5.7
69.03340	1.0
69.37901	0.9
69.38086	1.3
69.38499	6.2
69.38804	0.9
71.01250	17.4
72.01592	2.6
72.99187	0.8
73.14509	0.7
85.02817	3.3
87.00750	1.7
89.02316	30.6
90.02648	5.4
93.03310	3.9
95.01259	5.9
96.01582	1.8
96.92138	0.9
101.02319	17.1
102.02648	3.9
111.04374	0.8
112.81124	0.8
113.02351	7.1
114.02649	1.9
119.03394	11.2
120.03719	2.5
123.04410	8.7
124.04742	4.5
126.71736	0.7
131.03432	0.8
137.46713	0.9
143.03378	1.7
144.03781	0.9
149.04417	1.1
150.80840	0.8
155.03394	10.6
156.03740	5.9
161.04448	1.6
169.51421	0.8
173.04340	1.4
176.04500	0.8
179.05539	4.4
180.05869	1.9
191.05522	12.2
225.07623	2.8
226.07950	3.4
226.72115	0.8
249.75818	0.8
257.07925	1.5
368.12643	0.9
424.89615	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	448.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00447	0.8
59.01248	77.1
60.01588	8.7
61.01673	2.9
61.98700	100.0
65.55241	0.7
67.01752	1.1
68.99682	2.3
71.01254	14.7
71.58982	1.5
72.01591	2.7
72.99178	1.0
73.02811	1.3
80.42068	0.8
85.02825	4.0
87.00753	1.7
89.02316	17.4
90.02642	4.2
91.02740	0.9
93.03339	4.5
95.01271	2.8
96.01545	0.9
101.02319	11.5
101.43015	0.8
102.02663	2.3
103.02843	0.8
106.68410	0.8
106.69405	0.7
109.02844	1.3
111.04395	1.2
113.02309	4.1
114.02684	1.9
119.03376	5.5
120.03735	1.3
123.03642	0.7
123.04398	4.2
124.04757	1.4
131.03418	0.8
149.04530	1.0
155.03400	5.0
156.03743	2.0
158.03665	1.3
159.04454	2.5
161.04482	0.9
162.04848	1.8
173.04494	3.5
173.05934	1.7
179.05588	2.3
187.07542	5.1
191.05527	18.2
191.07098	1.3
202.06406	1.6
203.10745	1.3
225.07680	1.0
231.10255	3.3
252.38794	0.8
257.08084	1.6
275.09225	12.5
286.68195	0.8
388.19736	1.5
449.14569	1.8
456.07925	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	448.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	29.2
60.01580	5.1
61.01677	2.9
61.98698	100.0
69.63245	0.7
71.01254	6.2
71.07961	1.0
72.01603	1.6
72.05063	0.6
73.02826	0.9
85.02841	2.5
89.02319	5.2
90.02665	0.9
91.02738	0.9
101.02326	2.9
102.02657	1.5
102.05503	3.0
108.02088	0.9
113.02341	2.2
119.03362	1.6
125.02349	1.1
128.03459	0.8
138.01830	6.0
139.02174	1.8
140.02374	1.3
146.04483	4.6
152.08223	0.8
153.09120	2.2
154.09421	2.6
155.03366	1.0
159.04454	0.8
159.18843	0.7
161.04443	1.1
162.04861	0.8
163.04953	1.0
165.01888	0.8
173.04480	1.1
187.07587	2.6
191.05565	2.8
202.06401	0.8
205.12366	0.7
206.12659	0.9
224.13905	0.7
231.10210	1.6
237.39769	0.6
259.06223	0.7
267.28940	0.7
269.04562	0.9
275.09247	7.3
280.44098	0.7
351.19113	0.7
386.19434	0.9
387.19247	0.8
388.19583	3.2
437.79169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.3
59.01261	1.5
60.99178	5.3
65.03828	1.0
67.01763	14.4
69.03320	5.0
71.01241	4.4
81.03333	2.9
83.04887	2.4
84.39166	0.6
85.02830	2.5
87.00748	19.7
93.03335	100.0
94.03690	2.2
98.20538	1.7
99.00771	1.6
99.04384	1.6
104.39267	0.6
105.03339	2.2
108.02061	0.6
109.02829	2.1
111.04401	11.5
113.02327	1.9
115.03904	0.6
115.63773	0.6
117.03331	0.7
129.01840	1.9
132.02051	1.0
133.02850	7.0
134.03633	12.5
135.04422	13.7
137.02321	1.9
139.03928	0.7
143.03462	0.7
151.03897	1.3
155.03430	3.6
160.01569	1.9
161.02325	0.7
162.03139	1.7
173.04465	64.4
174.04805	1.8
177.01828	1.0
178.02637	2.5
179.03375	1.3
191.05534	18.6
224.32431	0.6
224.34633	0.7
231.10191	6.0
257.08231	1.0
275.09192	7.9
276.09705	0.7
290.61151	0.6
307.08273	0.8
308.09061	2.2
351.07227	1.0
352.08029	2.6
383.39914	0.5
449.14490	35.8
450.14801	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	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.2
59.01254	0.8
60.99176	2.5
66.60789	0.7
67.01764	6.9
69.03300	1.4
69.29743	4.8
69.30167	2.4
71.01258	4.3
81.03335	1.4
85.02824	3.2
87.00745	6.0
93.03334	37.2
99.04345	0.9
107.04938	0.9
108.02050	3.6
109.02811	1.2
111.00764	1.2
111.04401	5.2
121.02852	2.7
122.03638	2.1
124.01563	6.7
125.02290	3.6
126.03130	3.5
126.03939	0.8
127.03893	0.8
129.01855	0.8
132.02071	1.0
133.02838	5.6
134.03624	18.8
135.04411	100.0
136.05072	2.7
137.02330	3.2
150.03123	4.4
151.03908	14.8
155.03442	1.3
157.45859	0.6
160.01546	1.1
161.02312	1.9
162.03143	0.7
168.11264	0.7
173.04474	21.7
178.02602	1.8
179.03418	22.6
180.04208	4.2
191.05536	21.4
192.05881	0.9
257.08185	2.5
273.64682	0.8
275.09222	2.5
290.08011	1.5
307.08228	6.2
308.09024	22.9
309.09225	1.5
351.07431	1.1
352.07919	16.2
353.08496	1.4
449.14496	12.3
450.14621	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	449.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	0.8
59.01249	81.6
59.48338	0.8
67.01756	10.3
68.99687	29.1
71.01252	1.3
71.37920	2.0
89.02318	1.3
94.02757	0.7
101.02319	98.5
102.02666	1.3
112.01514	1.3
127.03900	32.2
191.05550	1.1
209.15240	1.2
227.09187	100.0
228.09552	4.9
389.14487	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	449.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01595	0.5
65.12560	0.6
65.83924	0.5
67.01762	4.6
68.99683	15.5
69.03329	0.7
69.51188	4.4
70.33593	0.5
71.01248	2.9
83.04877	0.5
85.02844	2.3
87.00740	0.9
89.02323	2.2
93.03336	1.2
101.02314	53.8
102.02679	0.8
113.02353	1.4
119.03432	0.7
127.03893	16.0
127.04776	1.0
131.50777	0.5
133.06572	0.6
136.65248	0.7
146.04526	1.3
154.01346	4.0
155.01711	2.8
159.04469	1.8
172.58659	0.5
173.04486	1.2
177.05556	0.6
187.07628	2.0
191.05513	4.4
193.08681	0.9
209.08197	1.3
227.09178	53.2
228.09607	2.5
231.10318	0.9
269.10327	1.8
270.06046	0.6
275.09201	5.3
389.14725	0.7
449.15054	1.2
449.20279	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	449.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01595	0.5
65.12560	0.6
65.83924	0.5
67.01762	4.6
68.99683	15.5
69.03329	0.7
69.51188	4.4
70.33593	0.5
71.01248	2.9
83.04877	0.5
85.02844	2.3
87.00740	0.9
89.02323	2.2
93.03336	1.2
101.02314	53.8
102.02679	0.8
113.02353	1.4
119.03432	0.7
127.03893	16.0
127.04776	1.0
131.50777	0.5
133.06572	0.6
136.65248	0.7
146.04526	1.3
154.01346	4.0
155.01711	2.8
159.04469	1.8
172.58659	0.5
173.04486	1.2
177.05556	0.6
187.07628	2.0
191.05513	4.4
193.08681	0.9
209.08197	1.3
227.09178	53.2
228.09607	2.5
231.10318	0.9
269.10327	1.8
270.06046	0.6
275.09201	5.3
389.14725	0.7
449.15054	1.2
449.20279	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	451.0713
Annotation	glycosmisic acid sulfate
Peak:m/z	Relative Intensity
54.48789	0.2
54.70824	0.2
57.03328	0.3
57.79265	0.2
59.01248	6.3
60.01596	0.4
60.99172	0.9
61.98701	0.3
67.01753	2.0
68.99691	0.3
69.03319	0.9
69.43359	1.9
71.01247	2.6
72.01598	0.2
72.99173	0.5
73.02819	0.3
75.00763	0.2
79.95600	4.2
81.03339	0.4
83.01227	0.2
83.04871	0.6
85.02829	1.0
87.00742	3.2
88.01077	0.3
89.02316	2.2
90.02656	0.3
93.03327	13.1
94.03671	3.0
95.01216	0.4
95.03896	0.3
96.95880	100.0
97.06457	0.4
99.00748	0.4
99.04352	0.2
101.02297	1.2
102.02646	0.2
103.48303	0.2
105.03339	0.5
108.02020	0.3
109.02810	0.4
111.04393	2.4
112.04703	0.3
113.02320	0.8
113.04861	0.2
117.03351	0.3
119.03364	0.8
120.99528	1.7
121.02864	0.3
129.01875	0.3
132.02112	0.2
133.02827	0.9
134.03650	3.0
135.04460	2.8
136.01555	0.3
136.04787	0.3
137.02335	0.9
145.02892	0.3
151.03964	0.4
155.03384	0.7
156.03755	0.3
160.01619	0.4
160.05173	0.3
161.02321	0.3
161.04440	0.4
162.03102	0.7
163.03581	0.3
169.12244	0.9
170.12596	0.7
173.04459	8.7
173.05972	0.4
174.04776	2.6
175.02426	0.3
175.04944	1.7
176.01064	0.4
177.01823	0.8
179.05496	0.4
191.03633	0.4
191.05524	5.0
191.07047	0.3
192.05879	1.4
193.06004	1.0
195.06592	0.2
231.10202	1.0
232.10526	0.7
233.10800	0.6
239.07123	0.9
249.05670	0.3
251.07173	0.5
253.14496	0.2
258.08310	0.3
263.07077	0.3
265.04886	0.3
266.05685	0.2
267.06619	2.9
268.06860	0.2
275.09277	1.6
276.09512	1.9
277.09943	2.0
279.06656	0.8
281.08267	0.2
282.08957	1.0
294.05322	0.5
294.08783	0.3
295.06030	0.4
297.11411	0.4
309.07587	0.8
321.07416	0.3
322.08325	0.2
323.05533	0.7
326.08069	1.2
327.08591	0.2
338.07999	0.9
341.10199	0.7
353.10046	0.8
371.11264	0.4
390.22015	0.8
391.09470	0.3
391.22665	0.5
450.14737	0.5
450.21689	1.0
451.06982	25.6
451.15421	4.6
451.21320	1.0
452.07260	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	451.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.8
58.00454	4.8
59.01250	100.0
60.99163	4.5
61.98697	29.7
67.01755	5.8
68.99657	8.0
69.03312	4.0
69.59467	21.8
70.21599	2.6
71.01247	57.6
72.99168	8.3
73.02802	11.8
75.00745	3.4
83.01237	5.8
85.02805	15.8
87.00747	11.7
87.04357	2.6
89.02311	70.6
90.74007	2.9
93.03339	18.5
94.03656	4.9
95.01211	5.2
96.95889	17.0
101.02317	43.4
109.02705	3.6
109.95713	3.2
110.99174	3.8
111.04417	3.4
113.02327	21.9
119.03372	25.2
123.04385	9.9
127.03905	4.0
134.86140	2.5
142.72021	2.6
143.03365	7.2
145.01308	2.9
150.04071	4.7
155.03392	24.1
161.02409	18.7
161.04440	8.7
173.04425	9.1
174.04697	4.2
179.05547	20.0
181.04547	3.8
187.07530	6.0
190.99803	4.0
191.03952	4.6
191.05551	45.9
192.05836	25.3
193.06015	25.1
225.07565	3.9
228.51497	3.1
258.08432	4.0
259.08606	5.6
281.62140	2.8
289.20209	8.8
290.10492	4.2
333.46115	3.1
347.17130	3.9
365.18204	4.8
389.22296	3.2
407.19525	5.0
451.15964	7.4
451.26062	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	451.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.8
63.12425	1.1
65.17691	0.9
68.42467	0.9
71.01238	1.8
71.59092	1.4
78.95760	1.9
93.03325	2.1
96.95894	1.9
148.93628	1.2
152.99484	2.3
159.34970	1.1
174.99146	4.0
191.05505	2.6
205.12393	1.9
220.14618	13.8
221.15340	7.6
235.05679	1.0
236.10504	3.8
280.06439	1.2
304.06155	1.6
306.07843	1.6
319.05020	2.1
321.10342	1.4
334.07321	100.0
335.07718	7.9
337.13327	6.1
351.11166	5.5
352.11658	1.2
381.12073	2.2
391.14410	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	451.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80933	2.6
55.89775	2.8
58.00459	3.4
59.01247	100.0
61.98714	3.8
69.41253	26.5
71.01257	26.9
75.00752	3.9
85.02830	3.0
88.43857	2.7
89.02319	40.0
90.28557	3.2
93.44342	2.7
101.02305	19.5
113.02308	14.4
119.03385	13.9
121.59688	2.6
121.94605	3.0
137.02081	2.8
161.04442	3.3
179.05478	9.7
179.07024	12.9
211.09656	15.7
359.13513	5.9
391.16043	40.0
422.27017	3.0
451.17407	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	35.7
65.68848	9.6
69.88166	49.2
71.01270	9.6
78.95776	12.0
96.95907	54.0
99.92471	10.3
116.92738	100.0
116.97141	22.8
117.01844	14.0
152.99434	19.8
170.27937	8.6
199.09837	18.0
269.07651	12.7
286.94006	9.6
295.06186	11.9
313.33270	9.3
331.18408	10.9
369.17975	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	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72851	0.5
59.01247	33.7
68.78674	0.4
69.03320	1.3
71.01253	3.5
73.02819	0.5
75.00729	0.5
85.02822	1.9
87.00756	1.0
87.04385	100.0
88.04721	1.5
89.02310	1.5
93.03329	1.8
96.59879	0.4
96.95828	0.5
97.06448	0.6
99.00749	0.5
101.02315	2.6
111.04379	0.5
113.02312	2.1
119.01482	0.5
119.03366	1.3
134.03639	0.6
135.04388	1.1
161.04471	0.5
173.04468	1.2
185.00803	0.5
191.05542	5.0
191.07166	0.7
192.06044	0.6
229.14371	4.9
229.66203	0.6
254.84399	0.5
271.02524	0.5
300.02829	0.5
371.84360	0.4
375.95053	0.5
451.15375	0.6
451.20938	0.6
452.16766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49313	1.0
59.01250	100.0
62.96276	1.3
71.01252	2.8
78.95773	4.1
80.97342	2.8
81.03337	3.5
83.04893	15.2
84.79166	0.9
93.03347	2.4
96.95897	3.2
100.94048	1.0
101.20747	0.9
173.04472	1.3
191.05470	1.8
193.06039	1.0
238.18861	1.2
342.05371	1.0
357.17657	1.3
387.18448	1.6
391.29623	43.4
392.29840	3.0
403.21088	1.3
433.21957	1.8
451.15585	8.0
452.15555	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	451.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14581	0.2
56.43094	0.2
57.22801	0.2
59.01238	0.7
69.39706	0.7
69.40135	0.7
70.02850	0.2
71.01255	0.4
72.04417	0.2
77.90260	0.2
80.04939	0.5
81.03325	9.1
83.04889	23.7
84.05227	0.4
85.02808	0.3
87.00732	0.4
93.03333	1.1
94.03645	0.2
100.07547	0.3
101.02301	0.3
107.06026	0.8
108.04450	1.1
111.62202	0.2
113.02422	0.2
118.97999	0.2
125.07086	2.9
126.05489	0.5
137.99236	0.2
139.16650	0.2
143.08195	1.1
150.04105	0.4
173.04466	0.6
174.04768	0.3
175.05092	0.2
185.21123	0.2
189.78409	0.2
191.05522	2.0
192.05879	1.2
193.06021	1.4
206.13451	0.2
207.14970	2.4
208.13406	0.2
208.15269	0.2
224.17641	4.0
225.16025	11.2
226.16319	0.5
242.18727	1.3
250.15492	0.2
259.08826	0.3
268.16672	0.3
275.09155	0.2
277.09906	0.2
290.22299	0.4
307.23737	0.3
309.21832	0.3
324.26465	1.7
333.22903	3.7
351.24152	0.8
367.27026	1.0
385.28174	0.5
391.18539	0.2
433.31769	5.4
434.32007	0.4
448.11215	0.2
451.32840	100.0
452.33163	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	452.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.5
70.16822	1.0
73.62744	0.2
78.95773	19.3
82.49693	0.2
121.99999	0.8
134.98421	0.2
140.01080	5.5
152.99524	1.6
160.84152	0.8
177.34169	0.2
196.03722	9.7
214.04764	1.9
255.23264	100.0
256.23602	8.2
353.34711	0.2
392.18134	1.1
452.27786	24.2
453.28116	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	452.278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79010	0.2
62.96274	0.4
65.00308	0.2
66.82034	0.2
67.07270	0.2
69.83699	0.2
70.09996	0.4
70.10416	0.7
75.01765	0.2
75.02692	0.2
78.95773	100.0
92.43577	0.2
93.70444	0.2
96.96838	8.2
99.92458	1.4
114.92432	0.2
115.91967	0.4
140.01039	0.4
141.93501	0.3
145.80566	0.2
152.99484	16.7
153.99821	0.2
154.12479	0.2
159.87715	0.2
171.00548	19.8
172.00873	0.2
214.04849	0.4
216.11148	0.2
254.91260	0.2
268.11096	0.4
330.74359	0.2
378.24124	1.9
452.27792	54.2
453.28217	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	453.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99304	0.5
59.01247	12.6
59.48169	0.5
67.01740	0.6
69.03320	12.5
71.01251	9.6
72.99183	1.2
75.00754	2.4
79.95602	64.9
80.96400	1.5
81.03335	0.5
83.01281	0.6
85.02812	4.0
87.00743	1.7
87.04383	4.4
89.02314	8.0
93.03339	2.7
95.04910	0.6
95.95104	17.0
96.95884	100.0
97.02811	2.7
97.06457	2.9
99.00732	3.3
101.02293	4.3
109.02830	0.8
110.97458	5.6
111.04423	0.7
113.02321	2.3
119.03403	3.6
119.04917	1.4
121.02843	1.7
123.04414	1.7
123.08031	5.5
129.01816	2.0
133.02812	2.2
134.03650	3.2
135.04437	3.6
136.01526	0.7
137.02316	1.4
141.01799	1.4
141.95676	2.6
149.04535	0.6
149.05919	0.8
149.99823	2.1
151.00655	0.5
151.03897	1.4
159.02841	0.8
161.02319	1.9
162.03139	0.6
164.98523	0.7
173.04468	2.8
176.04634	0.6
177.01843	1.1
177.03955	3.3
177.05360	1.0
177.09163	1.3
178.02638	1.6
179.03279	0.7
179.05450	0.6
185.00822	6.5
191.05540	9.3
192.05846	1.1
195.05028	1.1
201.12776	0.8
203.10689	0.9
229.12256	3.6
231.10248	1.6
247.13493	0.8
273.04327	3.3
273.11304	1.5
275.09277	4.7
276.09396	0.6
291.08762	0.8
356.07339	1.2
358.13913	0.7
371.09937	1.0
371.44852	0.5
409.09805	1.3
423.07404	1.4
437.09036	3.6
438.09842	3.2
453.12189	97.3
454.12494	7.8
465.59775	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	453.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02271	0.6
55.01749	5.1
59.01248	1.1
69.03321	100.0
69.51629	3.1
70.03667	0.7
71.01250	1.7
72.99174	1.8
79.01765	2.2
82.41101	0.5
83.50792	0.4
85.02803	1.4
93.03337	0.4
95.01271	2.2
97.02822	17.6
98.19775	0.7
99.00748	23.2
101.02254	0.5
103.51182	0.5
113.02316	0.6
121.02512	0.5
123.00785	0.7
128.46957	0.5
141.01830	11.6
144.99472	0.4
149.38359	0.5
152.65178	0.5
177.03987	0.7
179.10728	0.7
185.00826	64.1
186.01218	1.7
264.67789	0.5
267.16058	1.3
453.17670	14.7
453.22360	0.8
454.17844	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	453.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	4.4
57.03304	1.8
59.01247	5.2
67.01765	2.4
69.03321	100.0
70.06958	4.8
70.77042	1.1
71.01241	5.2
72.99178	2.1
73.02811	2.2
75.00739	2.5
79.10435	1.2
79.95598	1.3
85.02827	5.5
85.03292	1.0
87.00745	2.6
89.02312	2.6
93.03342	6.1
95.01273	3.3
95.04843	1.3
95.86068	1.1
96.36686	1.1
96.95884	20.0
97.02822	23.0
98.95467	20.6
98.96276	3.2
99.00751	27.4
101.02326	2.5
102.80611	1.0
113.02303	1.5
117.77065	1.1
123.00715	1.8
129.01834	2.5
133.02821	5.1
134.03644	3.9
135.04401	3.8
141.01808	17.1
159.02809	1.5
161.02382	1.0
173.04465	3.9
176.02371	1.2
177.01830	2.5
177.03952	3.8
178.02612	3.0
179.03322	2.2
179.10693	1.3
185.00818	68.1
186.01097	1.6
191.05502	10.7
195.04967	3.0
196.02411	2.6
215.06967	1.6
231.10201	3.7
248.02316	1.5
259.90555	1.2
267.15997	3.5
275.09195	6.4
276.69373	1.1
311.96216	1.2
316.40405	1.1
435.12762	2.3
453.07306	8.7
453.18076	12.3
461.06537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.1
58.00459	3.0
59.01248	100.0
60.01597	0.6
69.03335	1.6
71.01251	34.0
71.45441	0.7
72.99180	5.4
73.02817	17.3
74.98975	0.6
75.00755	1.7
83.01254	3.0
83.59010	0.7
85.02818	13.3
85.99965	1.1
87.00748	5.9
87.04391	2.3
89.02314	40.4
93.03349	0.9
95.01279	1.4
97.02828	0.9
99.00758	2.0
99.04401	1.1
101.02319	47.6
102.06350	0.7
103.03885	15.7
111.04433	0.7
113.02326	10.9
115.03905	2.9
119.03392	15.5
123.27124	0.8
125.02351	3.2
127.03931	2.0
129.01894	0.9
131.03384	10.1
137.02266	0.8
143.03400	10.8
145.04958	5.3
149.04529	0.9
161.04485	1.6
162.68405	0.8
163.06024	61.2
164.06398	1.3
165.01863	2.6
179.03413	1.1
179.05544	5.4
180.04210	2.1
183.50432	0.7
191.05516	5.0
195.04958	1.3
195.06578	2.6
205.07108	18.3
225.07668	2.1
247.11781	3.4
259.90613	0.7
265.09277	6.4
307.10568	0.8
359.43042	0.9
393.17612	32.9
394.17917	1.8
400.44196	0.8
453.14148	0.9
453.23413	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	453.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87422	2.2
55.01749	2.8
57.24593	2.2
59.01247	13.5
68.81777	1.8
69.03324	100.0
69.62371	8.0
69.62801	6.3
71.01250	9.8
72.99181	4.5
73.02832	2.9
75.00753	3.3
79.32703	2.1
85.02840	5.1
87.00742	4.8
87.04371	3.3
89.02338	3.3
93.03320	9.0
94.03665	2.4
97.02816	18.8
99.00748	26.6
101.02333	6.2
110.83279	2.1
113.02320	2.6
119.03416	2.0
133.02817	5.1
134.03598	6.9
135.04402	4.1
141.01811	6.8
150.18274	2.1
161.04376	2.2
173.04510	6.5
177.03949	15.8
179.03346	2.9
185.00822	61.7
191.05548	11.1
195.04930	3.9
217.50003	2.1
231.10275	5.4
267.15793	2.4
267.41617	2.0
275.09195	7.0
310.00394	2.0
323.71259	2.3
356.07428	3.1
453.13452	4.1
453.17365	5.9
453.22849	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	453.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49824	1.9
55.01759	5.9
59.01247	6.4
60.40168	2.1
69.03322	100.0
69.85103	5.5
69.85516	5.5
75.00739	3.0
85.02821	4.3
87.00780	2.4
89.02301	2.7
93.03327	4.7
95.01269	3.3
97.02827	21.3
98.19919	4.2
99.00758	24.1
134.03645	4.8
135.04381	2.2
141.01808	12.0
147.49348	1.9
155.14415	1.8
177.03966	5.7
185.00819	79.1
186.01250	2.4
191.05496	6.7
197.31154	2.2
203.48233	1.9
205.81720	1.9
267.15997	2.6
275.09235	5.6
356.07529	3.5
452.69458	2.1
453.17896	12.0
453.23114	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	455.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22425	1.3
55.30239	1.4
57.03313	4.3
59.01248	13.7
61.39961	1.1
69.31709	8.9
69.32117	3.6
69.77222	1.3
69.86797	1.2
71.00889	1.8
71.01254	25.0
73.02805	3.7
75.00735	3.8
79.95604	1.9
83.01235	3.4
84.48376	1.4
85.02815	4.9
85.23603	1.4
89.02328	3.6
93.03312	2.6
95.01228	1.1
96.39131	1.2
96.95873	1.2
96.99187	10.6
98.19822	2.3
99.00784	1.7
101.02306	8.9
103.03879	1.3
113.02307	1.7
114.47468	1.1
119.04914	100.0
120.05244	3.5
129.01822	45.9
145.02878	1.9
147.04588	1.7
161.04535	1.4
163.03912	94.0
164.04236	3.4
191.05530	10.7
235.52159	1.3
249.13405	9.7
325.09268	6.5
395.19122	11.8
416.79282	1.3
455.10056	1.8
455.15762	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	455.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.4
62.07576	0.4
63.76664	0.5
67.01760	0.5
69.03325	1.7
69.36763	1.9
69.37186	2.8
71.01259	2.8
72.40818	0.6
72.99189	1.3
73.02814	0.9
74.98962	0.8
75.00747	0.9
83.04923	0.6
84.99317	0.5
85.02824	2.0
85.06458	7.9
87.00734	1.6
89.02335	1.9
93.03331	2.2
96.95911	1.7
97.02836	0.7
97.06454	0.7
99.00761	0.6
101.02331	1.7
109.02858	1.0
111.04359	0.5
113.02325	1.2
117.03347	2.1
119.03411	0.5
121.02813	1.2
123.04480	0.7
131.07040	19.3
132.02046	2.7
132.07304	0.5
133.02858	18.1
134.03615	2.3
135.04416	33.3
136.04732	0.9
137.02348	1.5
143.41287	0.5
153.05424	0.6
159.04456	0.7
160.01553	5.4
161.02350	100.0
162.02698	3.9
173.04501	1.7
177.01891	0.8
178.02632	1.7
179.03410	28.8
180.03784	1.2
185.00885	1.3
191.05539	7.6
192.05898	0.6
193.24626	0.5
205.59911	0.5
225.05157	0.8
249.05264	0.6
275.09311	1.7
293.10349	8.4
294.10748	0.8
297.09888	1.2
323.07700	48.5
324.08014	3.3
341.08734	14.0
342.08887	0.8
358.13083	0.6
367.62888	0.5
455.15625	12.4
455.21854	2.4
456.15814	0.8
479.11020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09799	1.4
57.52985	1.5
59.01231	6.7
69.46416	13.6
71.01257	5.1
73.02834	1.8
75.00755	3.0
76.69403	1.5
78.95766	28.8
82.88466	1.3
83.04900	7.9
84.02023	2.5
85.02811	2.1
87.00719	1.7
89.02312	4.0
96.96856	1.9
99.00731	1.9
101.02320	3.4
108.02007	1.6
113.02309	2.0
147.04414	34.7
152.99489	43.8
161.03459	17.6
163.11249	7.9
165.03946	2.0
165.12802	3.5
166.97505	1.6
171.00528	2.8
186.94901	1.3
187.09673	2.0
191.05531	6.2
209.11766	100.0
210.12070	4.8
217.37535	1.7
227.03180	2.5
227.12810	13.6
232.04185	1.7
235.57243	1.6
263.14987	3.0
363.11960	2.1
455.16812	63.4
456.16998	4.9
482.40579	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	455.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86079	1.6
51.60544	1.3
53.71104	1.3
55.01750	3.1
57.03321	3.5
58.00459	1.7
59.01252	59.8
69.03342	1.9
71.01250	29.0
72.99165	1.7
73.02815	16.8
75.00764	3.3
79.95599	2.2
83.01257	10.6
83.51539	1.6
83.98165	1.4
85.02818	18.1
85.06504	1.6
87.00753	2.8
89.02325	6.8
92.87630	1.8
95.01260	2.8
96.95889	15.3
98.19759	3.0
99.00768	4.0
99.87396	1.6
101.02320	40.3
113.02314	14.0
113.55653	1.5
119.03397	3.3
119.04908	18.6
125.02318	2.6
155.03389	1.8
159.02881	3.7
161.04491	10.7
163.03914	18.8
165.04079	1.7
190.00829	1.7
191.05527	3.3
249.13399	70.8
250.13689	2.7
395.19196	100.0
396.19577	7.0
455.10175	3.5
455.15771	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75020	1.0
54.20858	1.2
59.01244	3.7
60.45744	1.0
63.96103	11.4
68.99685	8.1
69.30095	11.2
71.01210	1.1
79.95613	4.7
80.96393	1.7
81.03333	9.3
91.05408	6.3
93.03336	4.0
95.01249	15.0
95.04902	7.1
103.05386	1.2
107.04901	15.8
108.02036	3.5
109.02827	7.5
109.06459	2.4
119.04917	20.2
121.02823	5.1
121.06474	9.8
122.03615	6.9
123.04405	3.3
125.02378	2.0
133.06429	5.9
135.04407	100.0
136.04756	2.9
137.05971	30.9
143.08908	2.9
147.04416	16.6
150.03130	4.3
150.06749	4.9
151.02126	1.6
153.07414	1.1
163.03893	3.5
164.03021	1.3
175.07967	1.2
179.01595	4.2
180.02388	7.9
180.04004	2.2
182.05717	6.4
196.01895	1.4
212.01427	16.6
234.22888	1.2
261.18597	2.2
275.14828	2.5
293.15851	6.8
294.16553	28.4
295.17026	3.3
326.15549	80.6
327.16013	7.1
455.26498	4.3
455.35568	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	455.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76171	2.2
59.01245	5.5
70.88395	6.0
78.95773	5.8
96.95915	2.2
98.67442	2.0
109.02831	5.6
152.99471	3.7
153.12732	11.9
163.11189	9.2
165.09120	7.0
165.12775	11.9
170.05801	2.3
179.10732	6.0
181.12247	100.0
182.12558	3.5
192.11617	2.6
197.11775	4.5
199.13335	41.9
200.13651	2.7
215.12814	10.2
227.20074	17.7
297.15067	2.3
340.33920	1.9
347.75861	2.2
363.25430	23.7
381.26334	5.6
455.24042	5.5
455.30402	8.2
471.82318	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	455.301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	3.7
61.98697	1.2
66.78687	1.2
70.92670	3.3
71.01241	1.6
89.02310	1.9
96.95908	1.8
109.06456	4.1
151.07481	1.5
152.99460	2.0
165.09210	1.3
170.05693	2.2
207.10240	3.4
211.13260	2.3
225.11072	1.2
227.20155	7.2
233.19054	1.8
235.20584	1.8
251.19890	1.5
259.16992	1.6
277.18063	100.0
278.18320	7.0
279.19653	21.0
280.19766	1.2
295.19138	48.3
296.19516	3.6
345.24442	2.5
363.25330	15.9
365.34116	1.2
369.22797	45.2
370.23013	3.5
381.26566	3.4
408.70566	1.4
455.29785	1.8
455.35291	3.7
470.21988	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	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13380	0.8
52.03026	1.0
52.99157	0.8
54.54249	0.8
59.01246	0.8
69.24879	9.4
85.67308	0.8
91.04430	1.2
96.37310	0.9
98.20506	1.7
122.34034	0.7
162.12840	0.8
164.63168	1.1
165.42694	1.0
455.35327	100.0
456.35623	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	455.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25503	0.2
60.97251	0.2
64.16667	0.2
70.16243	0.5
70.16640	0.5
97.51514	0.2
103.42432	0.2
107.61749	0.2
115.89308	0.3
119.07483	0.2
139.38608	0.2
155.51479	0.2
173.55186	0.2
263.80319	0.2
269.01047	0.2
284.07925	0.3
308.48050	0.3
407.31696	0.2
455.35257	100.0
456.35623	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	455.3526
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
70.82300	0.2
70.82610	0.5
136.56631	0.3
403.92038	0.3
407.33139	0.8
455.35263	100.0
456.35599	13.0
456.92444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04726	0.9
59.01235	4.2
69.03336	1.1
69.36046	7.6
69.62669	0.9
71.01238	3.0
72.99164	1.2
73.81831	0.9
75.00739	1.1
78.95756	4.2
79.95602	31.5
80.96392	2.2
85.02800	2.2
87.00762	2.3
89.02321	2.5
93.03341	3.2
95.04924	0.9
96.95874	6.8
101.02299	3.5
107.04930	0.9
111.00745	1.0
113.02341	1.4
118.97987	1.0
121.02817	4.0
122.03643	4.2
123.04386	2.1
133.02817	1.1
133.04932	1.2
135.04430	10.3
137.02318	2.1
139.00250	1.5
149.02341	32.8
150.03130	48.7
151.03601	1.9
155.03421	1.0
161.02336	1.8
163.03880	2.5
164.04701	8.2
165.05481	57.6
166.06166	2.1
167.07030	1.5
177.05542	1.0
179.03470	1.9
179.06981	1.2
180.04224	4.2
181.08627	1.6
185.00938	1.2
191.05518	3.9
192.04216	1.7
195.06526	12.8
203.00110	5.1
207.06496	2.0
210.58044	0.9
245.01189	6.3
259.02707	1.6
275.02432	1.2
314.11584	11.5
329.13922	18.5
330.14078	1.3
341.08817	1.6
457.11713	100.0
458.12143	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	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52109	0.9
58.00461	1.3
59.01249	23.3
65.03825	2.2
67.01760	14.7
68.99689	20.8
69.03329	24.8
71.01253	11.9
71.45332	1.1
72.19991	1.0
72.99174	1.7
73.02831	0.9
73.84133	0.8
74.91621	0.9
76.92117	0.8
85.02817	3.4
87.00745	2.0
89.02316	11.8
93.03329	19.9
94.30061	0.8
95.01251	2.2
95.04906	2.8
99.00752	5.0
101.02316	29.7
105.03354	1.4
107.04906	2.9
113.02332	19.2
117.16220	0.8
119.03410	6.1
119.04896	2.9
121.02829	18.2
121.06452	7.2
123.04422	3.1
125.02236	1.0
127.03900	54.2
128.04263	1.0
133.02805	1.7
133.04941	2.4
135.04411	3.9
137.02348	2.7
139.03900	1.4
145.06514	1.5
149.02359	7.0
149.05965	7.9
150.06308	0.9
151.03905	2.2
153.05481	31.8
154.05779	1.7
161.02335	3.9
163.03899	3.0
173.05971	3.3
178.02687	0.9
179.03398	2.1
181.04982	26.2
191.05602	1.1
191.07141	1.3
193.05009	8.1
205.08598	1.6
207.02927	1.7
225.03987	39.4
225.06232	2.0
226.04237	1.3
228.86606	0.9
277.07184	3.4
323.07672	3.5
346.35919	0.9
457.13470	100.0
458.13657	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	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.5
59.01249	24.1
60.70164	1.2
68.38108	1.4
68.99682	35.5
69.65898	7.8
71.01248	16.9
72.99200	2.1
73.02811	1.5
83.01230	2.4
83.27599	1.1
85.02827	3.3
87.00748	2.0
89.02309	16.9
93.03326	3.7
98.20542	2.1
101.02316	100.0
109.02834	1.5
113.02306	7.7
114.77713	1.2
119.03376	7.0
119.04927	2.0
121.06448	2.5
123.08051	1.5
134.03555	2.0
135.04445	3.8
149.05971	3.1
153.05470	3.6
161.02393	2.6
165.05481	1.5
171.11647	2.8
177.05489	6.3
179.05547	1.5
189.12773	2.3
190.10342	1.4
190.36966	1.2
193.05017	4.0
195.06564	3.7
219.57188	1.2
223.09731	3.6
233.11841	2.1
251.09230	13.9
277.10849	2.8
295.08237	10.4
430.82321	1.4
457.13394	50.0
457.17957	17.6
458.13263	3.6
458.18475	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	457.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03075	1.5
54.16526	1.4
55.01751	3.3
57.03326	2.1
58.00453	4.8
59.01250	88.9
69.03326	3.1
69.26015	3.5
69.26424	11.2
71.01252	56.1
72.99186	8.1
73.02819	1.6
75.00741	2.3
83.01266	4.0
85.02815	12.1
87.00748	4.5
87.04395	2.3
87.63641	1.1
89.02313	65.2
95.01268	4.1
97.02837	1.4
97.24368	1.5
101.02322	39.0
103.94411	1.2
111.04417	2.1
113.02330	24.6
119.03391	39.5
121.06496	4.6
123.08032	16.7
131.03423	2.5
133.02863	3.1
133.04973	13.5
135.04411	10.6
140.95468	1.3
143.03418	4.1
148.05217	1.3
149.04527	2.5
149.06071	1.8
161.02361	19.4
161.04475	2.8
163.03996	4.1
171.11662	2.1
177.05527	3.9
179.03395	6.2
179.05499	5.9
189.12761	5.3
190.98141	1.3
191.05547	2.0
215.10759	1.9
277.10791	29.3
278.11130	1.6
295.08194	10.9
397.11636	1.6
457.17212	100.0
458.17813	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	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03712	1.0
56.68513	1.0
57.03322	7.3
59.01249	17.3
60.97388	1.9
60.99166	1.4
63.96104	5.6
66.73981	1.2
67.01758	2.8
69.03329	2.3
71.01250	9.1
72.99187	8.4
73.02826	2.8
73.98192	9.5
74.98968	17.5
75.00718	1.1
78.95779	1.4
79.95587	2.7
83.04911	1.6
85.02818	13.5
87.00750	29.5
89.02318	6.6
93.03333	15.6
96.95883	2.3
97.02843	2.4
97.06470	2.4
99.00768	1.6
99.08031	35.5
100.08405	1.7
101.02335	3.8
109.02806	2.0
111.04369	4.3
113.02303	4.8
117.97202	2.8
119.04885	1.2
121.02815	1.4
123.04399	39.3
124.04778	1.4
126.12293	1.1
127.07533	34.2
129.01781	1.3
129.05470	33.5
132.02977	1.2
132.99518	5.6
134.03568	1.7
135.04430	2.9
135.98198	6.1
136.99049	3.9
137.02303	3.2
149.05998	1.6
149.09726	1.4
151.00591	8.2
152.00975	1.2
153.05457	20.4
155.03346	1.5
159.04494	1.3
161.04488	6.1
171.06575	9.7
173.04482	15.9
173.13220	1.6
177.09200	1.4
179.03456	1.5
187.07590	2.4
189.07547	1.2
191.05533	80.6
192.05937	4.9
197.11804	2.4
215.07069	1.4
223.10973	1.1
229.08727	1.7
235.13362	2.8
253.08720	1.7
285.09772	7.6
285.18600	4.5
305.21158	9.6
344.20679	1.2
348.12140	1.2
349.20132	2.0
351.19894	7.0
448.13751	1.9
449.14383	3.2
457.16956	10.6
457.22681	100.0
458.17297	1.7
458.22983	7.9
477.92038	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11690	1.1
55.01754	2.9
58.00456	4.9
59.01250	87.4
69.28307	1.3
69.28633	12.6
71.01251	49.6
72.99178	4.5
73.02823	2.0
83.01247	3.1
83.04889	2.1
85.02827	10.6
87.00735	1.9
89.02315	45.1
95.01256	3.9
99.04391	1.2
101.02322	29.8
103.31113	1.1
109.02805	3.7
111.04413	3.3
113.02331	17.3
115.03919	1.4
118.63781	1.3
119.03384	21.8
121.06462	3.6
123.08041	6.3
129.06998	2.9
131.03435	1.8
143.03369	1.7
161.04465	1.6
163.04027	1.3
165.09082	1.1
171.11699	5.8
179.05557	3.6
189.12770	11.9
215.10699	2.9
233.11755	3.4
277.10745	9.3
305.27985	1.4
457.17157	100.0
458.17502	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	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03712	1.0
56.68513	1.0
57.03322	7.3
59.01249	17.3
60.97388	1.9
60.99166	1.4
63.96104	5.6
66.73981	1.2
67.01758	2.8
69.03329	2.3
71.01250	9.1
72.99187	8.4
73.02826	2.8
73.98192	9.5
74.98968	17.5
75.00718	1.1
78.95779	1.4
79.95587	2.7
83.04911	1.6
85.02818	13.5
87.00750	29.5
89.02318	6.6
93.03333	15.6
96.95883	2.3
97.02843	2.4
97.06470	2.4
99.00768	1.6
99.08031	35.5
100.08405	1.7
101.02335	3.8
109.02806	2.0
111.04369	4.3
113.02303	4.8
117.97202	2.8
119.04885	1.2
121.02815	1.4
123.04399	39.3
124.04778	1.4
126.12293	1.1
127.07533	34.2
129.01781	1.3
129.05470	33.5
132.02977	1.2
132.99518	5.6
134.03568	1.7
135.04430	2.9
135.98198	6.1
136.99049	3.9
137.02303	3.2
149.05998	1.6
149.09726	1.4
151.00591	8.2
152.00975	1.2
153.05457	20.4
155.03346	1.5
159.04494	1.3
161.04488	6.1
171.06575	9.7
173.04482	15.9
173.13220	1.6
177.09200	1.4
179.03456	1.5
187.07590	2.4
189.07547	1.2
191.05533	80.6
192.05937	4.9
197.11804	2.4
215.07069	1.4
223.10973	1.1
229.08727	1.7
235.13362	2.8
253.08720	1.7
285.09772	7.6
285.18600	4.5
305.21158	9.6
344.20679	1.2
348.12140	1.2
349.20132	2.0
351.19894	7.0
448.13751	1.9
449.14383	3.2
457.16956	10.6
457.22681	100.0
458.17297	1.7
458.22983	7.9
477.92038	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	457.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.9
60.97395	3.2
63.96110	5.6
65.23340	0.7
70.99470	0.7
71.01247	1.2
72.99182	6.5
73.98190	7.4
74.98970	17.4
76.96880	1.5
79.95615	2.3
85.02819	1.5
87.00748	25.2
89.00560	1.0
93.03329	2.8
103.26814	0.7
117.97196	1.9
129.05428	0.7
132.99530	4.2
135.98253	5.7
136.99037	1.8
137.09587	1.4
149.09596	1.5
151.00594	5.4
173.04462	2.2
191.05521	10.8
285.18524	3.7
305.21173	10.1
333.18881	0.7
349.20062	0.9
351.19971	8.6
377.22238	0.8
457.22635	100.0
458.23059	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	457.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00954	0.4
57.03312	1.5
59.01247	6.2
60.97406	2.3
63.96101	4.1
67.01760	0.4
69.03333	0.5
69.62607	3.0
71.01237	2.2
71.04897	0.5
72.99179	5.9
73.02817	0.6
73.98186	9.7
74.98968	18.2
76.96896	1.0
79.95583	1.4
80.96370	0.5
85.02819	2.4
87.00751	24.3
89.00519	0.9
89.02312	1.7
90.98486	0.5
93.03334	3.7
96.95889	0.7
97.06433	0.9
98.19792	0.5
99.00713	0.6
99.08041	6.7
101.02318	1.0
109.02811	0.5
111.04385	0.9
113.02316	0.8
115.05061	0.7
116.90179	0.4
117.97202	2.3
123.04401	11.7
127.03873	0.4
127.07549	6.8
129.05417	1.9
130.08603	1.4
132.99532	3.2
133.02835	0.4
134.03586	0.5
135.04424	1.0
135.07988	0.6
135.98251	6.0
136.99086	2.1
137.02374	0.6
137.09642	1.0
149.09615	2.6
150.70267	0.4
151.00600	4.3
153.05475	5.2
155.03387	0.5
159.02844	0.5
159.04305	0.5
161.04474	1.4
170.04153	0.4
171.06526	1.4
173.04456	3.2
174.03020	0.5
179.03525	0.5
191.05536	17.8
192.05786	1.0
195.37985	0.5
264.09860	0.5
285.09760	1.1
285.18573	3.9
305.21204	11.2
306.21533	1.0
333.18924	0.7
349.20175	1.0
351.19937	9.5
352.20120	0.9
369.20892	1.2
413.23956	1.5
439.21466	1.2
449.14218	0.8
457.22617	100.0
458.23038	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	458.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13948	0.8
57.03318	1.4
58.00461	2.1
58.31034	0.8
58.99478	6.8
59.01248	62.0
59.58745	0.9
60.97391	3.9
61.59215	0.7
68.99683	11.3
69.03317	11.2
69.30469	4.1
69.30900	4.6
70.02848	11.9
71.01248	30.7
72.99163	2.6
82.99469	4.4
83.01262	2.2
84.04417	2.0
85.02814	7.9
86.00565	0.8
86.02345	12.9
87.00725	1.8
87.22633	0.7
89.02309	31.1
92.04946	1.1
93.03339	2.8
94.02856	3.8
95.01248	2.5
95.04900	1.4
96.00260	1.7
101.02312	15.5
103.05364	1.3
105.06982	1.1
110.98965	1.3
112.03920	61.1
113.00554	1.0
113.02330	12.3
113.04258	1.5
119.03376	12.7
119.04854	0.9
120.04394	0.9
121.02821	3.1
122.02362	30.9
122.06001	3.8
123.04426	1.5
130.04201	1.2
130.06506	1.2
131.03404	1.3
131.04893	3.7
135.02597	1.1
135.99780	4.4
136.00627	0.8
137.04190	7.6
139.02109	3.9
143.03372	1.8
146.05977	1.2
147.02620	1.7
147.04439	2.3
148.03949	1.4
148.07533	2.5
149.02373	1.5
149.04477	0.8
150.01326	2.4
154.03247	1.5
156.02913	16.4
157.05220	1.7
161.04434	2.1
163.02139	1.4
165.02507	1.8
165.03696	33.5
166.03999	1.3
172.07596	5.5
174.05516	6.4
174.09216	1.1
179.05534	3.4
182.02721	26.8
190.03223	3.3
190.08658	1.6
191.01636	5.0
191.05588	1.8
192.06567	3.8
200.07091	20.4
201.07425	1.5
204.01170	0.8
206.06380	1.4
206.13390	0.8
218.08105	6.9
224.07385	1.2
226.01729	51.0
227.02051	2.4
234.05878	65.0
235.06284	3.4
268.06488	9.5
278.04910	39.6
279.05112	2.2
296.05936	37.9
297.06259	2.3
361.15216	0.8
380.13620	1.5
398.10599	1.2
400.82187	0.8
414.12125	3.0
430.11630	5.3
458.11197	100.0
459.11502	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	459.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99471	19.5
59.01252	15.6
69.03300	1.0
71.01250	10.7
71.59180	1.0
71.59628	1.5
72.99166	1.9
73.02825	2.1
75.00729	0.9
83.01231	0.8
85.02820	5.2
87.00752	12.9
88.00296	1.3
89.02315	20.8
93.03339	1.8
101.02328	2.8
102.98474	100.0
103.98839	0.8
113.02288	1.9
119.03404	1.2
120.99563	1.6
125.66256	0.8
131.03409	2.1
137.09587	1.6
147.04424	4.5
149.04440	0.9
158.42493	0.8
160.01601	0.9
173.04507	1.1
174.03229	2.1
175.03931	13.3
179.77266	0.8
191.05528	6.6
192.05840	1.1
205.11931	0.8
219.05034	1.3
253.03842	69.4
254.04185	2.4
274.34583	0.9
294.43018	0.7
297.07608	10.5
297.49591	0.7
449.64282	1.2
459.22534	2.5
476.76825	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	459.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99219	1.9
58.99478	20.1
59.01249	15.7
71.01259	11.1
71.08458	3.2
72.99169	3.3
73.02798	2.3
85.02820	3.9
87.00748	11.4
87.45717	1.3
88.00246	2.1
89.02310	24.0
93.03323	1.5
94.03831	1.2
101.02325	3.7
102.98470	100.0
119.03381	2.2
121.23885	1.4
131.03365	1.8
147.04439	4.5
174.03125	1.6
175.03896	12.9
186.19020	1.5
191.05568	8.1
222.65158	1.4
253.03822	79.9
297.07660	13.7
298.07776	2.2
319.38892	1.4
399.21521	1.7
459.22620	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	459.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03325	0.2
58.00479	0.3
59.01247	100.0
60.01570	0.8
65.47358	0.2
69.03321	0.3
71.01250	5.5
72.99164	0.3
73.02810	1.9
81.03328	0.2
83.01247	1.1
85.02818	2.4
87.00772	0.6
87.04400	0.5
89.02313	2.4
93.03362	0.2
95.01263	0.6
97.02813	0.3
98.20603	0.2
98.45901	0.2
99.00767	0.7
101.02318	3.7
101.05968	0.9
111.00764	0.4
111.34824	0.2
111.57153	0.2
112.01528	0.2
113.02323	2.8
119.03359	0.9
125.02344	0.5
127.43679	0.2
131.03384	0.2
143.03398	0.4
161.04474	1.7
179.05571	0.5
191.05580	0.8
255.19647	0.5
297.20740	0.4
381.22800	0.6
399.23819	2.1
400.24097	0.3
417.24893	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	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.4
57.03313	0.5
59.01249	100.0
60.01573	0.5
64.58873	0.3
69.03345	0.5
71.01253	7.6
71.04861	0.3
71.39460	0.5
72.99200	0.4
73.02818	2.6
83.01279	0.9
85.02827	3.1
87.00745	0.6
87.04427	0.7
89.02308	3.9
95.01260	0.8
99.00774	0.9
101.02317	5.2
101.05952	2.5
111.00783	0.4
113.02316	3.6
119.03411	1.2
125.02354	0.7
131.77274	0.3
143.03395	0.6
159.31685	0.3
161.04433	2.8
161.05399	0.3
169.15111	0.3
179.05563	0.6
191.05516	0.4
252.21243	0.3
255.19804	0.8
297.20724	1.2
386.39941	0.4
399.23904	4.3
400.24350	0.7
417.24908	6.6
418.25131	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	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.4
57.03325	0.8
58.00451	0.2
59.01247	100.0
60.01587	0.8
67.01769	0.6
69.03320	0.5
69.21462	0.2
69.39331	2.5
71.01251	7.5
72.99187	0.7
73.02824	1.7
81.03321	0.3
83.01270	1.1
83.04922	0.3
85.02818	4.3
85.03281	0.4
85.76304	0.3
87.00733	1.2
87.04412	0.9
89.02309	2.1
92.35706	0.2
92.48394	0.2
93.03329	1.7
95.01279	1.1
96.95912	0.4
97.02844	0.5
99.00758	1.4
101.02311	3.5
102.98488	0.6
109.02840	0.5
111.04417	0.4
113.02324	6.7
118.98019	0.7
119.03407	0.4
121.02872	0.3
129.01886	0.3
132.02957	0.8
133.02808	0.2
134.03622	0.4
135.04434	0.9
136.01625	0.3
136.04849	0.3
137.02330	0.5
143.03365	0.5
155.03432	0.2
159.02960	0.3
161.04466	2.7
173.04510	1.2
177.13104	0.3
179.03465	0.4
187.07617	0.3
191.05518	5.3
191.07120	0.4
192.05962	0.9
193.06128	0.3
201.11430	0.3
213.56116	0.2
253.03870	0.3
255.19629	0.3
264.74176	0.3
343.21353	1.1
353.14377	0.3
399.23846	6.0
400.24268	0.4
417.24884	2.1
449.64847	0.5
450.15012	0.4
459.17145	0.4
459.23877	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.8
59.01247	28.3
65.03364	1.0
69.03321	1.6
69.34599	8.2
69.35013	2.3
70.05113	1.3
71.01258	13.9
73.02791	3.1
73.65080	1.0
81.03300	2.1
83.01227	1.6
83.04863	4.0
85.02783	4.0
87.00713	2.3
89.02305	8.8
93.03304	1.8
95.01206	1.2
97.02824	6.8
98.20694	1.8
99.00713	2.3
101.02328	9.9
102.98449	2.4
109.02834	7.6
109.06474	32.8
109.21027	0.9
110.03570	1.7
113.02314	5.1
119.03356	3.1
121.06438	2.2
135.07994	4.4
136.05113	1.8
142.02574	2.3
153.01724	1.4
161.04369	4.4
161.09512	1.1
163.11192	18.4
179.05466	1.9
181.12282	6.0
189.09138	2.0
191.05466	2.0
205.32436	1.1
207.10199	100.0
208.10399	3.7
221.11800	1.3
225.11270	59.8
226.11458	2.4
242.32947	1.2
253.09291	18.6
299.14795	1.2
300.96234	1.2
461.12732	4.4
461.19885	38.3
462.20477	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93858	0.2
57.03323	0.6
59.00945	0.5
59.01248	8.1
61.98705	0.3
67.48765	0.2
69.03321	0.2
71.01254	3.2
71.54588	0.3
72.97404	0.7
72.99171	2.0
73.02823	0.7
75.00744	100.0
76.01094	0.5
80.84860	0.3
83.01295	0.3
83.04880	0.3
85.02813	1.7
87.00749	0.7
89.02319	3.4
99.00723	0.3
101.02328	1.8
109.06496	0.7
111.00726	0.2
113.02338	1.6
119.03388	1.0
120.99590	0.3
121.06509	0.3
135.04387	0.3
140.46391	0.2
143.03413	0.3
151.07542	0.4
153.09088	0.4
154.01355	0.9
161.04474	1.2
161.09583	0.8
163.07480	0.4
163.11227	0.6
165.09052	0.4
179.05495	0.7
179.10684	2.1
191.05576	0.4
193.12231	0.4
198.48862	0.3
203.10715	3.2
206.09404	1.3
207.10149	1.9
219.10219	0.3
221.11781	12.2
222.12129	0.6
225.11230	2.6
233.34778	0.2
239.12875	0.5
253.09148	0.4
301.24390	0.3
401.18042	0.4
461.20721	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
57.03316	0.7
59.01245	17.0
59.62465	0.6
62.27393	0.5
69.03337	0.6
71.01244	7.6
72.99173	1.0
73.02818	1.2
73.70419	0.5
75.00757	0.6
80.02528	0.8
81.03333	3.0
83.01267	1.2
83.04894	2.7
84.02024	0.8
85.02811	3.2
87.00747	1.5
89.02309	5.9
91.03875	0.6
93.03352	0.9
95.04887	0.9
97.02836	6.6
97.06472	0.5
98.20522	1.3
99.00764	2.0
101.02316	6.7
107.04877	0.5
109.06471	39.5
110.03622	2.0
110.06797	1.1
113.02319	3.5
119.03371	1.7
121.06463	2.1
123.04439	0.7
125.09614	0.6
130.62016	0.5
131.03404	0.6
135.08038	5.0
136.05212	1.3
142.02620	1.7
143.03412	0.6
145.10115	0.7
161.04471	2.2
161.09612	1.6
163.11192	24.0
164.11514	0.6
179.05498	1.0
181.12263	4.9
182.12592	0.6
189.09059	2.4
191.05518	1.4
193.04860	0.5
197.11688	0.6
207.10191	100.0
208.10526	4.8
209.11728	0.9
217.53044	0.6
225.11263	58.9
226.11601	3.1
235.08055	1.2
249.06026	0.6
253.09242	20.0
267.07169	1.4
299.15045	1.8
387.43930	0.5
443.19095	0.8
461.20187	41.6
462.20691	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	461.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70358	0.3
57.03320	0.6
59.01248	11.6
60.95538	0.3
68.99658	0.4
69.03335	0.5
71.01244	5.0
71.59015	0.6
72.97414	0.7
72.99182	4.8
73.02813	3.6
73.09518	0.3
74.02353	0.4
75.00744	100.0
76.01098	0.7
85.02805	1.9
87.00748	1.0
89.02309	4.5
93.03322	0.4
95.01257	0.4
95.04929	0.4
95.79360	0.3
99.00776	0.4
101.02318	3.3
107.04939	0.4
109.02824	0.5
109.06465	1.5
113.02330	2.9
118.97988	0.4
119.03397	1.9
123.04456	0.4
131.38489	0.3
134.97391	0.3
135.04454	0.4
137.02341	0.5
141.01839	0.3
143.03401	0.3
150.03116	0.4
155.03371	0.6
161.02402	0.3
161.04491	0.9
163.03900	0.3
163.11192	1.4
164.73071	0.3
168.02798	0.4
179.05534	1.6
189.01733	0.3
189.09087	0.4
190.06915	0.3
191.05519	0.6
197.04488	0.5
203.10709	0.5
207.10167	4.4
221.04439	0.3
221.11774	1.5
225.11261	6.9
239.12869	0.9
253.09297	1.4
283.13638	0.4
299.14905	2.5
328.21680	0.3
401.18265	0.7
454.48895	0.4
461.20401	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
56.84407	0.6
57.03314	5.8
58.00455	1.1
58.41291	0.6
59.01247	29.9
63.02270	1.2
65.00192	1.3
67.01741	0.8
69.63866	0.6
71.01250	15.5
71.07021	1.6
72.99177	2.9
73.02824	3.1
74.98958	1.3
75.00737	7.3
75.43462	0.6
81.03342	1.4
83.01250	2.2
83.04878	4.2
84.02003	0.9
85.02820	5.9
87.00763	1.9
89.02312	12.1
93.03325	3.8
95.01273	1.0
99.00744	1.8
99.04409	4.1
101.02308	11.3
107.01277	1.9
108.02030	1.1
109.02848	2.7
109.06507	0.7
113.02325	6.6
119.03369	5.8
120.99541	1.6
121.02829	6.0
121.45579	0.7
123.04358	0.8
125.02339	2.2
131.03395	1.6
135.02881	1.7
136.99048	1.2
139.03902	0.7
143.03387	1.4
148.01497	1.2
151.00249	9.1
153.06879	0.7
155.03445	0.8
161.04485	3.9
163.00264	2.3
163.11166	3.2
165.12730	1.7
169.01379	1.2
169.12233	0.8
173.04509	1.8
173.05902	0.9
178.99774	5.6
179.05510	2.0
183.13829	1.0
187.04005	1.0
189.09120	0.8
191.05504	9.9
191.10634	0.8
199.13361	5.3
205.12321	0.8
209.11760	71.0
210.12036	1.3
211.03867	0.9
213.11246	1.8
216.04428	1.1
226.02647	1.8
227.03447	3.1
227.07056	0.7
227.12828	25.7
229.05040	0.8
235.08171	0.8
241.14426	1.0
243.02966	13.2
245.04637	1.3
245.08107	2.7
253.09251	10.0
254.02211	2.2
255.02951	25.9
256.03418	1.3
271.02466	58.9
271.05460	1.9
272.03058	5.3
273.04025	1.3
299.01993	1.3
300.02722	100.0
301.03467	45.6
301.06439	0.9
302.03857	1.8
302.42413	0.9
343.04593	0.8
343.17679	0.9
361.18524	1.2
385.18716	3.5
403.19534	2.1
459.26694	0.8
463.08768	70.1
463.21429	6.1
463.29266	2.1
464.08966	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	463.0883
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
57.03314	4.1
58.00442	0.9
59.01248	23.9
65.00179	2.0
71.01249	10.0
71.58891	1.3
72.99177	1.5
73.02816	2.6
74.98967	1.1
75.00745	5.1
81.03365	1.1
83.01243	1.9
83.04894	2.7
85.02824	4.3
87.00739	1.2
89.02306	8.9
93.03326	2.4
95.01237	1.1
99.00752	1.6
99.04381	1.4
100.85410	0.8
101.02318	6.2
107.01267	2.9
109.02832	1.7
111.04386	1.1
113.02306	4.8
119.03365	3.5
121.02804	4.2
125.02306	2.9
136.05568	0.8
136.98979	1.2
148.01598	1.2
149.04440	1.4
151.00253	9.2
159.02786	1.1
161.04436	2.4
163.00284	0.8
173.04485	1.1
178.99812	5.8
179.05507	1.5
191.05492	7.4
199.03860	1.4
199.13318	3.1
209.11763	48.1
211.03954	1.2
216.04114	1.0
217.08733	0.9
226.02646	2.1
227.03459	3.1
227.12837	17.8
243.02945	9.7
245.04480	1.5
245.08224	1.0
253.09279	5.9
254.02217	2.8
255.02953	26.0
264.75571	1.1
271.02469	57.4
272.02991	4.0
273.04004	1.4
276.91602	0.9
299.01834	1.8
300.02734	100.0
301.03491	42.1
301.06625	0.9
302.03775	2.1
312.02054	0.9
343.04724	0.9
385.18524	2.7
388.39597	0.9
463.08759	59.9
463.22528	4.0
463.28589	1.7
464.08954	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	463.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51188	0.9
58.00457	1.0
59.01249	100.0
65.06599	1.0
67.01762	2.9
67.79639	1.0
68.99688	4.9
69.03311	2.6
69.70786	7.0
71.01252	27.0
72.99158	2.1
73.02805	1.3
77.18440	1.0
85.02812	4.4
87.00754	1.8
87.46496	1.0
89.02318	35.7
90.62595	1.2
95.01275	1.7
95.04903	21.0
99.00764	1.5
101.02322	28.4
101.02995	1.6
111.00745	3.1
113.02328	9.6
119.03396	15.2
119.41317	1.0
121.02829	3.7
123.04427	1.4
127.03910	15.1
131.03403	1.6
137.05977	1.2
139.00264	12.3
139.03917	7.4
143.03368	2.8
147.61253	1.2
149.04468	2.0
159.57251	1.0
161.04446	4.6
165.05464	5.2
169.08705	1.1
179.05573	8.7
181.04926	1.6
191.05486	1.2
197.08125	7.1
209.08075	3.1
213.02043	1.1
223.06061	4.0
225.46295	1.1
241.07137	28.1
359.13440	4.5
403.12027	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	463.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34166	0.3
59.01248	2.7
61.98682	0.3
62.96253	0.5
71.01247	1.7
71.59335	0.3
71.59725	0.5
72.99175	0.2
75.00742	0.3
78.95771	100.0
83.04887	0.3
85.02842	1.3
87.00741	0.8
89.02324	0.7
93.03334	2.5
96.96260	0.5
96.96838	7.1
97.06469	0.3
99.00790	0.4
101.02320	1.0
109.02831	0.3
113.02318	0.5
117.36084	0.2
120.99479	0.2
127.03999	0.3
129.01836	0.3
132.28818	0.3
133.02823	0.5
135.04366	0.3
150.97919	0.6
152.99480	43.1
153.99745	0.5
161.04503	0.4
163.11053	0.3
171.00545	26.0
172.00865	0.4
173.04453	1.0
175.03967	0.3
179.03453	0.3
191.01657	0.3
191.05507	3.8
209.11784	3.9
213.05484	0.4
227.12909	1.4
240.13644	0.5
249.06099	0.9
253.09232	0.6
319.64050	0.3
394.13815	0.6
463.20978	42.6
464.21249	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	463.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.3
59.61139	0.3
62.38076	0.3
62.96280	0.7
67.24188	0.4
69.98732	0.3
71.01254	1.1
71.59090	0.4
72.99168	0.3
78.95772	100.0
83.01261	0.4
83.04865	0.5
85.02808	0.4
87.00753	0.5
89.02329	0.9
93.03317	0.7
96.95882	1.0
96.96206	0.4
96.96830	6.3
101.02318	0.8
111.04448	0.4
116.59177	0.3
121.74666	0.3
125.11363	0.3
150.97908	0.7
152.99483	29.9
154.80040	0.3
158.58716	0.3
171.00546	40.2
172.00926	0.3
173.04482	0.6
191.05534	2.2
209.11780	3.7
210.12126	0.4
227.12769	0.7
253.09114	0.6
262.12253	0.5
317.19785	0.4
329.23618	0.4
371.16214	1.1
463.20987	31.5
464.21176	2.6
465.92944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.3
59.01248	2.5
61.89982	0.3
62.96272	0.3
65.17200	0.2
69.03309	0.2
71.01241	1.1
73.02818	0.3
78.95773	100.0
85.02824	0.8
87.00747	0.4
89.02322	0.4
93.03326	2.6
96.96835	7.7
98.20644	0.5
101.02332	0.8
113.02316	0.5
120.99532	1.3
121.02832	0.3
140.81075	0.2
150.97910	0.7
152.99486	40.6
153.99832	0.4
163.11301	0.2
169.06485	0.3
171.00554	25.6
173.04517	0.7
191.05499	2.5
209.11792	2.2
213.05411	0.7
217.00160	0.3
227.12830	0.3
240.13635	0.4
249.06097	1.5
383.14481	0.3
389.17227	0.7
394.13879	0.5
463.20996	39.4
464.21335	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.4
69.86308	0.8
69.86717	1.4
71.01250	4.3
73.02804	1.0
78.18272	0.4
80.02522	1.6
81.03302	1.5
83.01244	0.6
83.04898	5.9
84.02040	1.6
85.02811	1.4
87.00751	0.6
89.02304	2.9
93.03345	0.4
95.01270	0.5
95.04888	0.6
98.19888	0.8
101.02323	3.5
109.06465	0.6
113.02316	1.9
119.03372	0.8
124.57008	0.4
135.08083	0.9
161.04453	1.4
163.11192	4.7
165.12820	2.8
181.12228	0.5
191.05528	0.6
191.10690	1.0
199.13310	0.5
209.11766	100.0
210.12064	3.3
227.12834	15.4
228.13162	0.5
236.29176	0.4
240.47664	0.4
253.09259	11.3
279.90350	0.4
360.74832	0.4
452.93253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.0
69.46008	0.3
70.73183	0.5
70.73527	0.7
71.01254	3.4
71.04886	0.3
72.34554	0.3
73.02816	0.5
78.57434	0.3
80.02537	1.1
81.03320	1.3
83.04892	4.8
84.02031	1.3
85.02811	1.1
87.00732	0.6
89.02310	2.9
90.98426	0.4
92.61272	0.3
92.98015	0.4
93.03317	0.4
95.04887	0.6
101.02320	3.0
101.79728	0.3
102.93119	0.3
107.71944	0.3
109.06468	0.4
113.02321	1.3
119.03390	0.8
123.04281	0.3
123.23993	0.3
125.05971	0.6
131.66800	0.3
135.08025	0.9
161.04469	1.0
163.11197	3.6
165.12718	2.1
181.12274	0.6
191.10681	0.8
209.11765	100.0
210.12115	4.1
215.65419	0.3
227.12828	15.0
228.13078	0.7
235.08148	0.4
253.09245	10.7
276.60565	0.3
287.37405	0.3
327.93948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80796	0.4
53.58066	0.4
56.54907	0.4
59.01249	4.6
59.79343	0.4
61.04524	0.4
63.57865	0.5
69.45733	1.0
69.46148	2.8
70.84338	0.4
71.01243	3.2
73.02832	0.6
77.97217	0.4
79.39973	0.4
80.02528	1.4
81.03334	0.7
83.01234	0.5
83.04898	5.2
84.02034	1.5
85.02814	1.1
89.02322	2.5
95.04877	0.6
98.30505	0.5
101.02301	3.2
103.83119	0.5
113.02314	1.5
114.78744	0.4
119.03374	0.9
125.05953	0.5
161.04407	1.2
163.11194	3.6
164.38737	0.4
165.12756	2.6
181.12076	0.6
191.05450	0.8
191.10727	1.2
209.11757	100.0
210.12117	4.4
227.12817	17.3
253.09273	14.8
254.09666	0.6
257.33765	0.5
260.79865	0.5
325.21387	0.5
463.21313	0.7
473.25620	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73943	0.4
57.03323	0.4
58.73771	0.4
59.01250	3.7
65.64309	0.3
69.56284	1.9
69.56702	1.2
71.01246	2.1
73.02824	0.5
80.02566	0.9
81.03329	1.1
83.04897	4.1
84.02046	0.7
89.02319	2.5
95.04926	0.9
101.02328	2.4
103.81642	0.4
109.20048	0.4
113.02326	1.1
127.73767	0.4
161.04457	1.4
163.11220	3.3
165.12697	2.0
169.34920	0.4
191.05591	0.4
191.10751	0.6
209.11761	100.0
210.12099	5.0
227.12833	19.4
227.15125	0.9
228.13177	0.8
228.46642	0.4
235.08200	1.0
253.09262	15.9
254.09621	0.8
318.08780	0.4
481.38321	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	463.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88282	1.1
53.63180	1.2
59.01247	7.0
59.52277	1.1
61.98702	1.2
71.59100	1.9
78.95767	10.7
80.53556	1.1
83.04900	1.2
88.10977	1.0
96.95901	7.0
98.75139	1.0
98.95478	1.6
101.02292	1.7
110.98425	6.3
113.09616	2.3
152.99478	2.8
154.80605	1.1
159.32199	1.2
167.01035	3.4
171.10170	2.1
185.02144	5.8
191.05566	1.4
195.13838	16.0
197.11754	3.1
202.81223	1.1
209.11778	8.2
217.00137	5.2
243.34406	1.2
277.21707	14.5
290.63101	1.3
295.22778	100.0
296.23080	6.1
334.25378	1.3
463.24582	21.8
464.24841	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	463.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	3.5
57.03315	5.0
59.01247	87.8
59.36520	2.2
68.41659	2.7
69.03327	2.9
70.99034	4.3
70.99365	4.5
71.01251	75.6
72.23350	2.5
72.99151	4.9
73.02812	19.0
75.00755	6.4
75.71304	2.6
82.73067	3.2
83.01253	8.0
83.04876	3.8
85.02816	26.7
87.00735	8.9
87.04414	4.2
89.02312	49.4
93.03329	6.4
93.70627	3.1
94.51343	2.5
95.01234	5.4
96.57799	2.8
97.02818	3.2
99.00746	7.7
100.06612	3.3
101.02320	54.5
111.50129	2.6
113.02331	28.0
119.03397	21.7
125.02351	2.8
131.03433	4.3
135.04466	3.4
143.03369	7.2
143.34967	2.5
149.02312	11.7
154.86432	2.6
155.10628	3.8
159.02837	4.7
161.04454	42.5
164.04672	10.1
165.12726	4.0
173.04482	6.3
176.03189	3.7
179.05502	12.3
179.06960	4.4
182.26273	3.1
183.13834	48.2
184.14088	2.8
191.05550	27.1
200.23541	2.8
207.10159	5.1
209.11795	73.9
210.12054	3.3
222.09891	2.9
227.12877	17.2
248.07715	16.4
253.09312	15.2
295.39511	2.9
315.17465	3.0
381.94421	2.8
417.24887	100.0
418.25183	11.5
425.11642	13.3
463.09232	9.2
463.21069	17.4
463.25662	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	463.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	7.8
70.03049	8.2
71.01247	3.0
74.93583	1.8
96.95891	1.9
107.08542	5.3
125.09676	2.2
127.11140	3.4
137.09563	1.8
139.11171	6.5
149.15817	2.1
167.10617	3.6
171.10167	76.1
171.11638	4.2
185.11691	2.1
192.28978	2.1
199.13223	3.2
247.20555	3.4
265.30875	1.9
291.19635	61.8
292.19815	3.6
309.20685	100.0
310.21051	7.0
427.28323	1.8
445.29529	6.4
463.30695	6.6
470.27414	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	465.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08015	1.1
58.00455	1.6
59.01248	100.0
62.43832	1.1
65.22709	1.1
68.99670	5.3
69.03291	1.3
69.57848	7.7
71.01246	26.6
72.99179	1.4
73.42881	1.2
85.02821	5.0
87.00742	2.2
89.02313	51.5
95.01263	7.8
101.01688	1.9
101.02317	26.6
113.02335	11.8
115.00414	1.2
119.03383	17.3
123.04388	10.8
131.03395	1.5
138.53508	1.2
143.03348	1.7
144.79260	1.1
149.04483	1.3
151.34840	1.1
155.03387	16.8
161.04454	4.7
167.11455	1.0
175.03925	2.4
179.05521	16.7
181.05026	1.9
191.05544	8.4
193.99016	1.1
199.99785	1.1
204.16141	1.1
225.07614	5.7
274.30267	1.2
363.40820	1.1
387.13071	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	465.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14666	4.6
59.01249	100.0
63.38488	5.3
63.82962	4.3
68.99691	18.8
69.03305	4.1
69.25876	23.3
69.26304	24.3
71.01258	30.7
71.45855	4.1
75.00779	4.4
78.95774	41.8
81.46214	4.2
85.02831	5.3
87.00720	7.4
89.02309	38.1
93.03345	8.3
95.01255	18.7
96.95917	5.3
97.02869	5.2
101.02325	58.7
113.02328	14.8
116.55995	4.8
119.03362	7.8
123.04391	15.7
127.03830	5.4
141.05469	42.3
155.03419	42.8
161.04344	5.0
179.05496	22.7
191.05559	43.1
243.08714	69.5
331.90546	5.2
405.21255	12.1
438.45303	5.0
465.14996	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	465.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
65.34547	3.5
67.01751	10.1
68.05840	3.3
68.99686	17.8
69.03310	3.4
70.81496	5.9
70.81870	6.8
71.01249	16.6
73.85791	3.4
81.28847	3.7
83.97141	3.1
89.02320	22.0
94.93051	3.2
95.01266	10.4
97.02847	5.4
101.02319	73.2
113.02336	7.1
119.03334	6.6
123.04368	5.2
127.03883	59.4
141.05479	24.8
149.09630	8.0
155.03410	32.9
167.10780	6.8
177.78423	3.8
179.05573	9.9
191.05475	11.0
228.18857	4.6
243.08682	63.8
385.29755	4.5
405.13904	5.2
405.21213	8.6
435.06125	3.6
487.95847	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	465.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14328	1.9
59.01249	100.0
61.37912	2.2
67.01757	6.6
68.99679	17.5
69.03333	4.2
69.70106	7.5
69.70541	8.0
71.01250	18.8
72.99194	2.8
73.02829	2.3
75.00746	13.7
80.61185	1.9
85.02827	3.5
89.02322	27.0
95.01270	11.0
97.02831	7.2
101.02319	79.3
113.02349	10.3
119.03384	9.5
123.04408	12.3
123.99213	2.2
127.03900	24.4
135.04388	2.2
141.05472	34.6
143.03407	4.5
145.04994	2.6
155.03412	45.1
161.04533	3.8
179.05579	14.8
191.05470	10.6
209.57475	2.1
243.08711	96.9
405.14084	11.5
405.21243	5.5
409.87924	2.4
465.15738	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	465.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61993	0.6
52.78737	0.7
57.03304	0.8
57.63064	0.8
59.01246	2.7
62.96264	1.5
69.64588	1.5
69.64992	4.5
71.01253	1.9
73.02822	0.7
78.95771	100.0
85.02828	2.4
87.00732	1.4
89.02364	0.9
93.03321	2.4
96.95891	12.1
96.96832	7.1
101.02293	1.2
110.83763	0.7
112.08436	0.7
125.09586	1.0
137.02246	0.7
150.97911	0.8
152.99484	45.9
159.04396	0.7
171.00551	29.4
173.04509	4.0
191.05518	20.8
203.07121	0.9
209.11668	0.9
229.08681	0.8
233.08162	4.4
273.07541	0.8
283.06396	1.0
348.29385	0.7
373.17709	4.3
393.79880	0.7
423.12811	1.5
465.15146	1.8
465.22525	56.9
466.22818	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	465.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79655	0.4
59.01260	2.1
59.01500	0.4
62.96280	1.3
63.66360	0.5
69.02160	0.4
70.04984	2.3
71.01241	1.6
73.02810	0.7
78.95772	100.0
83.04894	0.5
85.02832	2.7
87.00745	0.9
89.02299	0.7
93.03329	2.6
95.01213	0.5
96.95894	9.2
96.96832	6.1
97.06448	0.5
98.19790	0.6
101.02332	0.5
106.74080	0.4
111.04395	0.8
135.04422	0.5
137.02327	0.6
139.11221	0.5
141.46136	0.4
150.97919	0.9
151.05832	0.5
152.91628	0.5
152.99483	49.7
153.99756	0.5
155.03398	0.5
159.04381	0.6
161.02341	0.6
171.00545	24.9
173.00038	0.7
173.04507	2.3
182.02199	0.7
185.11829	0.4
187.07526	0.7
191.05531	15.7
192.05769	0.5
198.91194	0.5
203.07010	1.1
205.08601	0.8
209.11763	0.8
215.07001	0.7
222.97070	0.4
229.08667	0.5
233.08134	2.7
247.09761	0.6
265.05093	0.5
283.06268	1.1
319.21161	0.8
373.17737	3.4
383.15085	0.9
407.35596	0.5
423.12909	1.1
465.14935	2.0
465.22507	49.4
466.16785	0.7
466.22824	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64254	0.7
57.03320	9.7
58.00460	1.0
59.01249	100.0
60.01581	0.9
69.89963	0.8
69.90257	4.7
71.01253	25.1
71.04877	1.9
72.99173	2.7
73.02818	1.0
75.00759	0.8
81.03321	1.1
82.69404	0.8
83.04859	2.0
83.14508	0.8
85.02827	6.9
87.00739	2.4
89.02316	33.8
91.00223	1.6
91.45316	0.8
93.03315	2.5
95.01261	1.5
97.02821	1.7
99.04392	14.9
101.02316	12.8
101.05941	3.6
112.05200	1.1
113.02336	10.5
114.53017	0.8
119.03384	15.7
123.04444	1.6
125.02269	1.1
127.03903	7.1
131.03365	1.7
131.32037	0.8
134.07253	1.6
135.04396	2.0
137.09518	0.9
139.07567	0.9
143.03436	5.0
145.04970	50.0
146.05284	1.6
149.04381	1.6
149.09631	18.4
150.09943	0.9
153.09105	2.6
161.04462	5.7
167.10686	42.0
168.11020	1.3
173.04457	3.1
174.03148	1.9
175.03839	0.9
176.77676	0.8
179.05515	13.4
180.05870	1.0
191.05531	13.4
203.07019	1.3
209.11873	0.9
225.14873	7.4
229.08504	1.7
243.15921	2.3
247.09737	2.6
273.07693	1.6
285.08658	1.0
306.22852	0.9
327.30029	0.9
405.21222	8.0
465.13876	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78774	1.2
57.03325	1.8
58.00497	1.3
59.01249	100.0
69.59949	1.1
70.91669	3.5
71.01250	10.5
72.99185	1.5
83.20911	1.3
85.02800	1.7
89.02310	11.1
101.02319	9.0
113.02348	3.9
115.90993	1.6
119.03390	6.1
121.62007	1.2
132.28043	1.1
149.04523	1.4
149.09616	3.9
161.04401	2.2
167.10646	4.5
179.05569	3.1
189.24939	1.4
243.15901	1.7
296.00278	1.4
405.21222	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24371	2.8
56.44668	2.7
57.03330	3.4
59.01252	100.0
67.35487	3.3
68.99680	5.6
69.70201	2.9
70.15716	14.1
71.01254	30.4
73.02828	3.8
85.02818	5.1
85.75494	2.8
89.02318	42.9
95.01276	3.4
98.95580	3.0
101.02320	33.7
102.86974	3.2
108.09203	3.1
113.02335	11.0
115.04565	2.8
119.03382	19.0
127.03888	10.4
131.03403	3.8
135.04420	2.9
141.05472	4.1
142.55547	3.1
143.03348	5.3
149.04350	3.9
149.09622	22.9
155.03409	8.8
160.53513	3.1
161.04446	8.9
167.10692	36.6
179.05562	14.3
187.56903	3.0
191.05508	6.3
225.14984	5.7
243.08769	25.0
273.07755	3.0
325.70865	3.1
405.13702	4.1
405.15436	3.9
405.21304	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	465.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.9
59.01233	5.8
69.03324	2.2
70.34101	4.3
71.01255	4.7
71.04894	1.2
73.02821	8.1
81.03328	2.5
83.01260	2.6
83.04888	12.8
85.02828	2.7
89.02309	1.2
93.03331	39.5
96.95902	7.2
97.02818	1.3
99.00767	2.7
99.21579	1.0
99.44462	1.1
101.02319	1.4
108.02040	1.4
109.02834	16.0
111.00745	5.1
111.04398	62.4
112.04716	2.7
125.09550	1.1
127.03869	3.1
129.01836	1.7
137.02339	8.2
139.11160	3.5
143.03427	1.2
153.01839	3.7
155.03392	12.7
156.59491	1.1
167.10690	2.0
171.10120	2.4
173.04459	31.9
209.11787	1.5
213.11330	1.8
214.11871	1.4
225.27431	1.0
245.02606	1.4
291.19608	12.3
309.20691	100.0
310.21039	5.8
335.18265	1.1
357.91907	1.2
385.23679	2.3
403.24902	2.5
455.59839	1.4
465.25116	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	465.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
57.03313	2.7
57.88987	1.0
59.01239	3.7
65.03825	2.8
67.01752	1.4
69.03310	2.0
71.01251	7.4
71.30769	1.8
71.87579	1.0
73.02809	10.1
78.95771	5.2
81.03326	4.3
83.01253	6.5
83.04897	15.1
85.02821	2.7
93.03336	41.3
94.03692	1.2
95.04928	2.6
96.95856	2.0
97.02817	1.4
99.00754	4.9
99.04433	1.8
101.02290	1.3
108.02050	1.7
109.02119	1.9
109.02827	22.5
111.00762	4.5
111.04400	53.9
111.08051	1.1
123.04409	10.4
127.03912	9.0
129.01797	1.8
135.04405	1.4
137.02330	9.8
139.11169	4.0
145.02779	1.1
145.10097	1.3
149.05981	1.1
151.03932	1.7
151.11169	3.8
152.99466	2.5
153.01817	3.4
155.03410	13.7
159.04411	2.1
171.02859	1.3
173.04457	27.6
173.05971	1.4
174.05009	1.2
174.06575	1.2
175.11125	1.7
177.12756	1.8
179.03520	1.4
183.10109	2.4
191.05539	3.2
199.13310	11.7
201.11177	1.8
201.12827	2.5
203.10732	8.8
219.13835	1.2
221.11737	3.0
239.12827	1.5
245.11671	1.8
247.20599	5.7
263.12686	1.5
283.06021	1.2
289.17706	1.1
291.19647	100.0
292.19897	5.8
293.21124	3.4
309.20691	94.2
310.21075	6.9
315.16010	2.4
333.17154	2.1
357.24292	1.6
367.22809	6.7
385.23868	13.9
403.24768	7.9
411.21817	1.8
429.22769	12.5
430.23367	1.8
447.23584	2.6
465.14084	1.8
465.24857	3.7
488.61984	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	465.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56285	0.7
59.01260	3.7
71.01264	0.9
71.30119	1.5
89.02292	1.3
139.11169	3.7
141.12743	1.3
143.10623	1.2
155.10666	1.9
167.10690	6.2
168.57100	0.7
171.10184	12.0
182.76875	0.8
185.11743	1.3
214.12109	0.9
249.22144	1.6
265.21716	1.0
267.23154	0.9
283.13602	0.9
293.21219	10.3
294.21661	1.0
311.22256	100.0
312.22552	6.8
340.42847	0.9
447.31097	3.0
465.32257	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	467.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.2
59.01233	2.5
59.29985	0.8
60.99165	2.2
67.01508	0.5
67.01762	6.0
69.03310	2.0
71.01239	2.0
81.03338	1.8
83.04906	1.1
85.02813	7.3
87.00747	11.1
93.03330	43.0
98.19810	1.5
99.00736	1.2
99.04405	0.7
108.02072	1.1
109.02852	4.1
111.04399	7.2
125.79845	0.6
127.03876	1.4
129.01793	1.6
133.02849	2.2
134.03627	12.7
135.04396	4.4
136.01544	2.9
137.02335	31.0
151.03880	2.4
153.01843	0.8
154.02596	3.6
155.03372	1.6
160.01559	0.7
169.01170	0.6
171.02930	3.5
173.04465	42.4
174.04810	1.3
177.01817	2.7
178.02657	6.7
179.03374	2.1
189.03935	1.9
191.05528	100.0
192.05823	2.6
219.50708	0.7
231.05122	1.6
231.10071	1.6
232.05812	3.0
233.06589	2.6
257.08066	1.6
264.04825	2.6
275.09311	1.6
293.10345	3.1
340.07910	4.9
352.08093	3.5
369.08212	1.2
370.09027	8.2
437.14496	1.8
449.14597	12.3
450.14731	1.1
467.15552	30.6
468.15744	2.8
477.68680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42314	1.7
56.89219	1.4
59.00986	2.1
59.01252	24.6
67.01756	3.0
71.01231	2.2
71.58328	1.5
74.55699	1.3
78.95789	1.7
80.02553	2.4
83.04871	2.9
85.02815	1.7
87.00743	2.0
93.03329	10.5
95.04889	2.2
96.95911	2.2
97.06432	2.4
99.08013	3.2
111.04381	2.5
111.84567	1.3
120.21026	1.3
125.09550	1.6
128.99547	1.4
132.98024	2.7
134.03569	1.6
137.02353	1.9
137.09612	9.0
139.11200	4.3
152.99490	5.5
155.10699	2.0
156.90135	1.8
158.84531	6.0
167.10574	2.0
171.10124	6.1
173.04433	6.2
174.99187	11.3
176.01025	4.8
191.05519	14.1
193.12163	1.6
211.13467	1.4
225.04478	1.9
227.05844	7.0
229.42859	1.4
239.20143	11.6
245.04344	3.2
263.05728	1.8
265.07495	5.1
267.09222	2.4
269.07050	61.1
270.07343	2.4
271.05017	2.1
283.08542	4.2
291.19586	5.3
309.10175	4.9
339.14844	2.6
347.15350	21.1
348.15872	3.3
361.16873	4.0
365.16412	4.0
379.17975	2.1
381.19464	10.3
407.17480	100.0
408.17633	7.6
409.32620	1.4
425.18405	6.0
467.15625	5.6
467.31616	2.4
468.04825	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32985	1.7
59.01233	4.7
67.01736	2.0
67.95549	1.7
71.01241	4.8
71.30445	2.6
71.30769	2.0
72.04463	1.7
72.99181	21.3
75.00746	15.3
75.07858	1.6
81.67972	1.9
83.01221	3.2
84.97813	1.7
85.02809	2.6
87.00743	4.2
89.02287	1.7
93.03313	12.8
96.95877	3.1
99.00750	5.7
107.04887	1.8
111.00771	2.5
111.04375	2.4
112.98726	8.5
113.21191	1.8
115.00229	7.2
117.01800	3.4
134.03587	3.8
135.02896	18.4
135.04379	3.2
139.11134	4.1
142.99756	13.4
146.30804	1.7
156.00531	5.2
163.07410	1.7
173.00858	5.8
173.04428	7.9
174.01611	100.0
175.02419	8.7
191.05534	22.9
191.68646	1.6
199.13286	7.4
201.11185	2.6
205.60156	1.6
263.12802	2.2
277.21790	3.0
287.20291	2.1
293.21143	15.8
305.21173	23.4
307.23059	1.8
327.19495	4.3
331.19113	4.7
331.22650	2.0
332.12436	1.7
333.20813	1.7
345.20517	7.7
349.19995	9.2
357.20605	2.2
358.37540	2.0
367.21024	3.2
369.20795	2.9
371.18677	12.1
387.21991	3.5
401.19626	2.0
407.20987	4.0
431.20660	5.9
449.14664	1.8
449.21667	6.4
467.15561	6.1
467.22806	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	467.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	4.8
67.01758	1.4
71.01253	7.6
71.57865	2.8
72.99173	17.0
75.00734	11.0
82.99788	1.2
83.01247	2.6
83.04873	1.2
85.02825	3.2
87.00752	7.9
93.03330	14.2
96.95879	2.2
99.00753	3.7
109.02843	2.4
111.00739	2.6
111.04373	3.6
112.98683	6.6
113.99444	4.0
115.00238	8.9
126.33454	1.5
134.03624	3.1
135.02911	8.0
135.04405	2.0
136.01537	1.8
137.02303	3.4
137.15045	1.1
139.11160	3.5
142.99768	13.9
147.08086	1.7
156.00539	7.8
157.01315	1.9
165.09081	2.4
171.10205	2.1
173.00841	7.3
173.04471	12.5
174.01607	100.0
175.02405	15.1
176.89731	1.3
191.05516	28.2
199.13290	11.0
288.82031	1.4
292.80417	1.5
293.21194	12.8
305.21252	12.9
311.21606	1.7
317.21136	1.6
319.22687	2.5
327.19537	2.2
331.19046	2.7
345.20770	5.7
349.20102	6.3
363.21921	2.4
367.21204	3.7
371.18347	1.5
389.19626	3.1
407.20786	7.4
427.63361	1.4
449.15173	2.6
449.21783	5.1
467.15472	6.6
467.22260	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	467.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.6
57.03309	1.1
59.01247	2.6
65.53996	0.3
67.01759	0.5
69.03358	0.8
71.01239	1.6
71.45052	0.5
73.02801	1.5
81.03329	1.5
83.01232	2.6
83.04897	5.8
85.02828	1.1
87.00745	0.5
93.03333	14.0
96.95865	0.6
99.00748	0.9
108.02025	0.7
109.02126	0.7
109.02833	10.8
111.00770	1.9
111.04398	22.8
125.09658	0.6
127.03884	2.1
129.01816	0.6
134.03638	0.6
137.02345	4.4
137.09613	0.7
139.11188	2.8
141.12759	1.1
142.13170	0.4
143.10710	0.6
153.01833	9.4
154.02562	0.9
155.03400	5.5
155.10730	1.6
155.14282	0.5
167.10672	4.5
167.19228	0.4
171.02914	0.5
173.04471	7.0
183.10136	0.6
185.11668	0.6
191.05559	5.3
201.11256	1.0
213.11208	0.5
214.12012	0.7
219.13884	0.5
221.15375	0.4
226.69168	0.4
241.07452	0.6
247.13385	0.6
249.22348	0.5
265.21677	1.1
267.23178	0.5
269.07098	1.0
275.20206	0.5
283.08606	0.8
293.21259	6.8
295.22772	0.9
309.10229	1.8
311.22250	100.0
312.22565	6.9
387.25418	3.1
389.16589	3.3
405.26550	2.0
407.17496	1.2
413.22729	0.5
431.24429	0.7
467.15536	1.4
467.31668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71397	0.9
55.01752	1.5
57.03326	1.1
59.01239	3.6
65.03839	1.3
67.01757	2.0
69.03333	1.7
69.45543	8.2
71.01237	5.3
72.99188	6.8
73.02808	3.7
81.03326	3.0
83.01257	5.7
83.04890	12.6
85.02825	2.9
87.00722	2.8
93.03331	28.3
95.01217	1.0
95.04883	2.7
96.95883	14.4
97.02854	1.7
98.95467	1.2
99.00740	2.3
99.04417	3.1
105.01816	2.1
108.02048	1.1
109.02830	14.3
111.00732	3.8
111.04391	27.5
111.77491	1.0
116.92775	2.0
123.04391	13.6
127.03900	6.4
133.02866	1.5
134.03603	2.4
135.04442	2.4
136.01553	1.7
137.02344	7.5
139.11128	3.4
147.11571	1.2
151.03899	1.8
151.11122	1.2
153.01801	2.1
155.03404	9.6
161.00728	1.3
171.02887	2.7
173.04448	17.2
174.01581	4.8
177.12762	2.5
191.03902	1.7
191.05519	15.5
195.13829	1.8
199.13358	8.3
201.11176	2.1
203.14304	1.9
205.12225	4.1
221.15509	1.5
231.10121	1.4
247.13376	1.9
249.22224	2.9
265.14444	1.7
281.21130	1.8
293.21201	50.2
294.21606	5.1
311.22232	100.0
312.22580	8.3
315.15726	1.7
341.99469	1.2
347.18484	2.5
351.23141	1.4
352.92892	1.3
361.23096	1.2
369.16904	1.4
369.24429	6.1
387.25394	16.6
388.15732	1.0
388.25674	1.6
405.26450	5.3
413.23254	1.9
428.00659	1.2
431.24313	16.8
432.24615	3.2
449.14120	1.9
449.25458	3.4
467.15527	6.9
467.26059	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	468.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29777	2.0
59.01246	19.4
61.98700	100.0
68.99686	4.5
69.61098	3.7
69.61503	12.3
71.01252	7.6
80.75428	2.1
85.02821	3.0
89.02311	4.5
92.63479	1.9
93.03302	4.4
95.40876	2.1
96.95896	2.5
97.02824	3.2
98.20641	2.9
101.02310	16.1
113.49727	1.8
119.03386	2.6
119.04926	3.2
163.03922	2.7
167.10660	3.3
168.11003	2.4
171.75032	2.3
191.05540	18.4
192.05873	9.4
205.06181	3.5
302.44812	2.7
307.09369	5.2
408.22144	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	469.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64626	2.2
59.01260	6.1
64.11189	2.5
71.52094	2.5
71.59042	3.3
96.95894	6.4
98.67149	2.2
110.53407	2.6
153.06314	2.3
160.92107	2.3
161.02324	5.4
174.01607	3.5
225.34538	2.8
257.08408	2.2
284.73865	3.0
333.20197	3.4
347.15356	3.8
349.16919	100.0
350.17288	7.3
367.17905	5.0
381.15936	10.4
409.19016	52.8
410.19299	4.4
439.15335	2.8
469.11609	4.4
469.22180	2.6
469.33136	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	469.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74448	1.2
59.01236	2.5
71.01244	3.8
71.22669	2.4
72.99185	12.8
75.00748	5.4
96.95876	2.8
99.00747	3.7
103.93600	1.1
112.98695	4.4
113.99472	2.3
115.00258	3.5
117.01754	1.3
125.09608	1.4
130.44611	1.0
135.02861	7.4
135.04428	1.6
137.19212	1.2
139.11156	3.3
140.42767	1.1
142.99748	9.0
156.00514	5.0
160.84074	7.1
163.11169	1.2
167.10706	1.4
173.00864	8.7
174.01605	100.0
175.02283	4.2
177.07385	1.4
179.10617	1.2
181.15825	2.8
191.05530	1.9
197.61884	1.2
199.13333	4.7
201.11253	2.1
211.13170	1.2
223.60098	1.1
225.14899	1.7
241.10890	2.0
242.17558	14.0
243.16113	1.3
295.22824	11.1
307.22787	11.5
309.24222	2.3
329.21204	1.6
333.20547	1.8
347.22183	2.4
351.21609	9.9
365.23325	2.7
369.22821	3.6
370.22784	1.2
409.22391	5.4
434.07315	2.9
451.23413	4.7
469.24307	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	469.332
Annotation	Lantic acid
Peak:m/z	Relative Intensity
59.01254	1.4
69.41536	1.1
69.41939	3.6
78.95812	0.8
93.49277	0.5
95.97071	0.6
98.19817	1.0
115.12788	0.5
125.09584	0.6
141.11972	0.6
142.25742	0.5
241.21663	4.9
254.53696	0.6
289.21695	1.3
356.67078	0.6
393.28064	3.6
395.29507	0.6
407.29401	3.9
409.18951	0.7
409.31155	3.5
410.31799	0.7
413.49756	0.6
423.32648	77.1
424.32986	7.5
424.38428	0.9
425.34308	2.1
469.33182	100.0
470.27203	0.9
470.33551	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	469.3319
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
56.96210	0.4
61.25565	0.4
65.87415	0.4
66.26079	0.4
70.09000	1.6
77.19090	0.5
84.01821	0.4
92.16390	0.5
98.20490	0.4
107.38187	0.4
170.72705	0.4
171.05739	0.4
176.15184	0.4
180.04123	0.5
319.10715	0.5
330.87109	0.5
469.33179	100.0
470.33514	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	471.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.0
64.82689	2.5
69.03338	3.0
71.01272	5.7
71.57824	3.2
71.58264	4.7
72.99162	2.4
78.95779	22.8
79.95597	4.8
85.02827	3.1
87.59892	2.5
96.95887	100.0
96.96822	38.2
97.02848	2.3
112.54333	2.6
115.03873	2.6
134.03635	6.3
135.04396	10.8
137.02328	3.0
161.02373	6.5
163.03888	3.6
176.93993	2.6
179.03394	9.7
187.07541	2.7
191.05548	6.4
193.04970	13.4
199.85107	2.9
274.02444	2.9
323.07697	4.3
342.93100	2.6
348.20618	2.2
373.11578	4.9
453.14551	2.7
471.09161	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	471.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.7
68.99670	1.8
69.03310	1.9
71.01257	4.7
71.04881	0.8
71.46028	1.1
72.99175	1.3
73.02824	1.0
75.00724	1.1
78.98450	0.7
79.95606	22.6
80.96390	10.2
83.02377	0.9
84.00788	0.7
85.02827	2.3
86.02361	0.8
87.00731	1.7
89.02315	3.4
93.03316	3.2
94.97950	1.8
95.01274	0.9
95.04912	1.0
96.95890	18.1
97.06470	0.6
98.95478	1.5
99.00769	0.9
101.02309	4.7
107.04877	0.7
108.02029	0.9
109.02867	0.8
110.95716	0.5
113.02311	1.8
119.03417	1.1
121.02847	3.3
122.03620	6.6
122.97512	0.7
123.04410	4.2
124.01485	0.7
129.01842	1.1
133.02861	1.7
134.03625	3.9
134.97386	0.6
135.04434	7.2
136.01561	1.0
136.05214	6.7
136.98914	0.6
137.02303	1.1
137.05945	0.7
139.03978	0.6
139.04999	0.6
145.03963	1.7
147.06546	2.3
148.99063	0.8
149.02359	12.3
149.03525	0.8
149.05975	1.7
150.03127	69.4
151.03935	7.5
151.07486	1.0
155.03427	3.5
155.04491	0.5
161.02365	4.0
161.05984	0.9
162.03075	1.1
164.04707	3.4
164.98515	1.1
165.05479	73.0
166.05840	3.2
166.07111	0.6
171.10236	0.8
173.04454	1.6
177.05484	1.2
178.02673	1.8
179.03384	4.1
179.07014	0.9
180.04237	6.1
181.04973	5.6
191.05579	4.0
192.29733	0.5
193.04887	3.2
194.05574	0.9
195.05099	1.7
195.06563	36.7
196.06848	1.0
203.00105	2.4
204.94646	0.8
225.00726	1.9
228.57434	0.6
231.10110	0.6
245.01169	7.7
251.16440	0.6
259.02649	1.2
269.24658	0.6
275.02341	2.4
309.09772	0.7
311.09222	4.1
323.07687	1.5
341.08624	0.9
343.11789	10.5
344.12173	1.1
387.22739	0.6
391.13947	16.0
392.14215	1.4
453.13855	1.0
471.09601	100.0
471.15436	14.5
472.09937	10.7
472.15582	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	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
55.98227	0.3
57.03311	1.7
59.01248	28.5
69.03325	13.0
69.92351	2.1
70.03649	0.6
71.01248	9.6
71.04877	1.2
72.99158	1.1
73.02813	4.5
75.00729	0.5
83.01252	1.5
83.04869	0.6
85.02819	12.3
87.00743	1.6
87.56280	0.4
89.02305	2.6
89.05954	1.6
93.03342	1.2
95.01263	0.9
96.95905	0.5
97.02808	1.5
99.00759	1.8
101.02315	6.9
113.02322	26.9
114.02657	0.5
115.03860	0.6
119.03386	0.6
121.02821	2.4
125.09653	0.5
129.01819	1.4
133.02834	0.8
134.03613	1.3
135.04384	0.9
137.02341	0.9
146.02097	1.5
159.02847	0.7
159.04211	0.4
161.04459	0.8
165.12715	0.6
166.97931	0.4
173.04446	1.6
174.02898	0.4
177.01802	0.7
177.03926	1.5
178.02643	1.2
179.03424	0.6
185.00864	2.1
191.05548	3.8
202.61472	0.4
207.17506	2.3
233.15552	0.8
237.07532	1.6
249.14867	1.2
251.16486	13.0
252.16785	0.6
267.15933	1.5
273.07776	0.4
275.09174	0.6
291.08560	0.4
293.10352	0.5
374.05859	0.7
381.11783	0.6
411.20172	4.8
412.20609	0.5
429.21182	12.5
430.21564	1.2
453.14261	1.2
453.20721	0.5
471.22305	100.0
472.22568	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	471.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.9
57.91040	0.8
59.01240	5.9
60.21970	0.8
69.03312	1.1
69.14162	0.8
69.94395	2.0
69.94809	2.6
71.01244	4.9
73.02831	0.9
78.95774	1.1
80.02564	1.8
80.96400	1.7
81.03339	1.6
83.04893	7.4
85.02815	1.8
87.00734	1.2
89.02312	2.3
93.03345	1.7
95.04927	1.5
97.06473	14.6
98.20462	1.2
101.02328	2.8
109.06541	0.7
111.00782	1.0
111.08073	1.4
113.02330	2.5
115.06662	0.8
116.64894	0.8
117.71550	0.8
123.08031	6.7
125.09610	100.0
126.09935	2.0
135.43669	0.8
136.03333	0.7
143.10706	1.7
151.11195	0.9
163.11226	4.5
165.12737	2.2
169.08577	2.3
173.04417	1.9
181.12224	1.2
186.77429	0.9
187.09683	55.8
188.09993	1.9
191.05548	3.5
191.10680	1.3
197.11696	3.9
199.13329	1.0
207.10184	1.1
209.11771	90.9
209.28467	0.8
210.12154	4.3
225.11235	1.0
227.12836	22.7
228.13293	0.9
243.12292	8.1
250.48915	0.8
261.10617	1.9
261.13403	31.6
262.13696	2.0
291.19650	8.5
309.20663	21.9
315.19696	1.3
333.20798	1.3
427.08853	1.1
453.24866	3.7
471.15356	2.8
471.25919	22.8
472.26511	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64355	4.5
50.90191	4.7
57.85656	5.0
59.01250	70.3
59.81093	4.2
61.98689	4.7
71.01250	60.4
82.78595	5.1
85.02802	9.0
87.00717	7.8
89.02314	81.6
96.36677	5.7
101.02301	14.1
113.02306	15.4
119.03374	12.2
138.40987	5.7
143.03458	4.6
161.02257	7.5
162.83775	17.6
164.83488	12.8
165.12782	10.7
179.05446	16.6
247.20590	6.5
263.87726	5.8
273.18567	6.7
291.19647	100.0
292.19925	8.0
362.47498	6.9
373.20059	5.7
389.16260	9.8
426.45349	5.9
471.17990	10.9
471.24179	6.0
471.34518	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	471.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83971	0.6
55.01734	1.0
59.01247	16.2
62.08784	0.7
71.01250	12.6
72.99165	0.9
73.02799	1.7
80.02541	1.3
85.02818	4.4
87.00754	1.3
89.02317	7.1
89.24223	0.8
95.05035	0.8
97.02855	0.7
98.19730	1.7
101.02321	6.9
113.02325	4.7
116.36318	0.8
118.92322	0.7
119.03410	2.8
123.04386	2.9
123.08015	2.0
125.09594	1.2
139.07462	0.9
143.31512	0.7
151.11182	7.0
153.12733	1.0
177.12762	1.2
185.11716	1.7
195.13826	2.2
199.13327	0.9
211.13304	1.1
221.11757	3.5
239.12697	2.0
247.20667	7.4
248.20920	0.8
251.16350	1.8
273.18488	1.3
291.19641	100.0
292.19971	5.8
305.21176	1.4
309.20691	84.7
310.21094	6.3
333.20587	2.1
351.21780	2.3
471.25961	75.0
472.26392	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	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.0
61.98687	0.6
69.16566	0.5
69.87251	0.5
70.57799	1.6
72.29977	0.5
75.00785	0.5
79.92978	0.4
97.06458	0.8
98.20493	0.5
107.51386	0.5
111.71519	0.5
111.98965	0.4
130.46689	0.5
145.17029	0.5
145.91022	0.6
222.40677	0.6
246.12755	0.6
291.19772	1.1
313.17819	0.6
386.51321	0.5
389.16492	3.2
389.92523	0.5
410.77335	0.5
471.34814	100.0
472.35114	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	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47693	1.1
59.01233	2.0
65.04153	1.0
68.19246	1.1
69.54905	1.2
71.27627	1.2
78.91752	1.7
96.95845	1.4
97.06468	6.6
125.09581	1.3
150.66405	1.2
160.84128	12.8
162.83862	1.8
374.15417	1.2
389.28488	1.2
391.29984	4.3
393.08493	1.2
405.31644	5.6
407.33255	10.6
408.33582	2.8
423.28806	1.6
436.08881	3.5
439.32407	1.6
441.33807	3.9
451.32037	12.4
452.32492	1.5
453.27283	2.6
453.33728	57.4
454.34268	6.4
471.34830	100.0
472.35202	9.6
497.32257	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	471.3475
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
50.84890	0.3
57.51984	0.4
59.01246	1.0
60.68224	0.4
69.88759	0.7
69.89162	1.6
93.61027	0.4
160.84161	0.8
162.83810	2.2
258.68250	0.4
337.79761	0.5
423.32443	1.1
453.33170	0.5
471.34778	100.0
472.35107	11.3
483.65799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	HEDERAGENIN
Peak:m/z	Relative Intensity
59.01237	1.0
60.99174	3.2
68.68925	0.3
70.94740	0.9
85.02811	1.6
89.92459	0.4
89.94433	0.3
97.06480	0.3
99.04372	0.6
106.18468	0.3
287.62299	0.4
350.09277	0.4
375.27026	0.4
377.28323	0.6
391.30106	1.8
405.31598	0.6
407.33163	22.8
408.33340	2.4
409.35153	0.7
425.34131	1.9
427.35672	0.7
453.33957	1.6
471.34775	100.0
472.35086	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	471.3476
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
50.88528	0.2
58.00444	0.2
61.23640	0.2
68.03203	0.2
68.83236	0.2
69.89501	0.8
70.75559	0.2
73.84113	0.1
98.20476	0.3
107.46510	0.2
117.24034	0.2
127.49574	0.2
131.03441	0.1
182.23495	0.2
201.71982	0.2
303.24213	0.2
320.18555	0.2
330.61444	0.2
358.25507	0.2
377.28433	0.2
393.31549	0.4
423.32687	0.7
425.33997	0.2
444.35446	0.2
471.34744	100.0
472.35095	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	471.3475
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
56.91169	0.2
59.66064	0.2
70.92819	0.4
79.69848	0.2
83.09599	0.2
94.42892	0.2
101.39822	0.2
105.38946	0.2
125.64708	0.2
147.71104	0.2
162.49707	0.2
471.34741	100.0
472.35092	13.7
472.42294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71978	0.3
59.01232	1.1
70.19035	0.7
70.19425	0.6
85.02804	1.0
97.75497	0.3
131.58051	0.3
138.29739	0.3
140.63153	0.2
160.84192	0.3
212.30550	0.3
219.48885	0.3
271.55191	0.3
303.42734	0.3
323.93582	0.3
383.29755	0.3
402.16348	0.3
427.35922	0.6
453.13483	0.3
471.34796	100.0
472.35147	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	471.3478
Annotation	Odoratone
Peak:m/z	Relative Intensity
57.03306	0.3
59.01237	1.1
69.03318	0.3
70.03376	1.1
71.01250	7.5
71.04887	0.9
73.02813	0.5
75.37680	0.2
97.06467	1.1
99.09494	0.3
143.97218	0.2
146.34813	0.2
181.57764	0.3
225.74934	0.3
275.21725	0.3
293.21304	0.4
365.14703	0.3
377.28683	0.3
379.30203	0.8
391.29880	0.5
395.29410	0.3
397.31000	1.4
399.32578	3.4
401.67813	0.3
407.33170	4.3
419.26535	0.3
425.34109	1.5
427.35931	3.0
428.35925	0.8
471.34753	100.0
472.35123	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	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
58.00474	0.7
59.01248	22.0
68.01270	0.9
68.99699	1.1
69.03308	1.5
69.34270	3.5
69.34707	3.1
71.01249	12.6
72.99176	2.5
73.02810	1.5
75.00735	1.5
78.95765	0.9
83.01276	0.8
84.00825	0.8
85.02827	3.9
86.02341	11.0
87.00749	100.0
88.00272	30.7
88.01084	1.6
89.02316	15.5
93.03362	1.1
95.01273	1.3
97.02888	0.7
98.02385	0.8
98.19657	0.8
99.00771	1.0
99.04345	0.7
101.02315	10.0
104.64938	0.7
111.00724	0.7
113.02335	6.6
117.01837	1.2
119.03403	5.7
121.02892	1.0
123.04388	3.9
129.37602	0.8
131.07016	1.1
135.04416	11.5
137.02333	4.1
139.07408	0.7
143.03412	1.6
155.03357	1.5
161.02348	1.8
161.04468	2.5
165.05490	2.6
173.00980	0.8
173.04395	1.0
179.03401	1.1
179.05557	3.8
191.05539	4.4
205.12325	1.5
221.11856	0.9
227.12665	0.9
293.10056	0.9
352.11008	0.8
359.09836	1.5
385.18692	5.6
386.18973	0.7
455.16800	1.8
473.16843	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	473.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98682	2.2
71.58978	2.5
78.95770	16.6
91.35631	1.4
96.95866	1.9
96.96801	1.6
97.06455	6.7
115.60972	1.4
152.99480	2.1
160.84126	2.9
162.83821	7.9
217.00229	6.3
221.61943	1.3
315.11166	2.2
377.32349	1.6
437.08899	2.1
438.08578	3.1
461.01199	1.4
473.36942	18.3
474.26123	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	473.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08476	0.8
53.41135	0.7
55.01771	2.0
57.03323	2.1
58.00451	1.9
59.01248	89.4
60.01587	0.9
63.96122	1.1
66.75874	0.8
67.01755	1.5
68.99677	0.8
69.03326	1.9
71.01247	36.5
71.04904	1.2
71.59040	1.3
72.99178	3.4
73.02817	14.7
75.00751	1.0
81.03300	0.9
82.08493	0.7
83.01243	6.9
83.04908	1.1
84.02046	0.8
85.02821	17.3
86.35666	0.8
87.00742	5.2
87.04389	7.1
89.02314	10.6
93.03304	4.3
94.03700	0.8
95.01261	3.3
96.95892	1.1
97.02840	1.4
97.06440	1.7
99.00740	4.3
99.04371	0.9
101.02319	26.0
101.05949	2.9
102.05504	1.0
109.02808	1.4
111.04411	1.1
113.02325	13.7
117.97174	0.9
119.03375	6.1
119.65400	0.9
120.99545	1.6
123.08018	1.7
125.02332	1.6
129.01794	0.8
134.03633	0.7
135.04420	5.0
137.02277	0.8
143.03368	2.4
146.04515	1.2
159.02885	1.7
161.04465	8.1
171.10170	2.7
173.04446	4.6
173.05905	1.6
179.03436	1.7
179.05443	0.8
191.05547	16.0
192.05736	0.9
201.11139	0.9
209.11765	7.9
212.59940	0.8
215.05376	1.0
237.14929	1.8
251.16484	3.6
252.07903	1.3
269.08118	1.5
269.17419	1.0
271.03122	0.8
307.18707	0.8
325.20096	1.5
387.23651	3.8
413.21835	10.4
431.22885	8.5
473.23862	100.0
474.24225	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	473.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.7
59.01249	100.0
64.07554	0.6
69.03326	1.0
71.01247	6.2
71.22961	1.7
72.86419	0.6
72.99190	1.0
73.02801	0.7
78.53245	0.7
85.02833	3.0
87.00774	1.6
89.02291	3.9
93.03368	1.4
101.02327	3.6
102.98488	1.1
109.06553	0.7
111.08033	4.0
113.02333	4.4
115.00337	0.8
119.03411	3.6
127.03865	0.6
137.05991	1.0
137.09637	4.1
137.10585	0.7
155.03397	0.9
161.04501	2.7
173.04555	1.2
179.05603	0.7
191.05533	5.6
221.06705	0.9
224.86693	0.7
240.94141	0.9
251.16489	71.8
252.16940	4.0
265.18134	1.7
283.04916	1.7
293.17633	1.6
413.21976	1.1
473.27744	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	473.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09998	1.1
56.00243	1.2
57.02042	1.1
57.03302	2.1
59.01248	9.2
65.99900	1.0
71.01254	7.6
71.55554	1.0
71.58958	1.3
72.22298	1.1
73.02805	2.9
83.01270	1.2
83.04903	1.1
85.02826	3.2
87.00726	2.8
89.02330	2.1
95.01280	1.0
97.02783	1.1
97.06443	1.5
98.22979	1.2
99.00727	1.3
101.02312	5.8
102.98471	4.2
113.02325	2.5
119.03383	4.3
121.51291	1.0
125.09602	4.7
139.11203	1.3
153.12566	1.2
159.04358	1.4
163.11205	4.2
167.10692	1.5
167.14273	2.0
171.10219	8.9
179.10744	1.2
185.11700	3.6
191.05545	2.5
197.11717	1.6
209.11765	2.9
211.13312	16.0
214.06410	1.2
215.07104	2.0
217.00287	2.2
229.08647	1.3
249.22096	5.8
293.21198	91.6
294.21539	7.6
294.24731	1.0
295.22720	1.1
309.20718	1.5
311.22269	100.0
312.22485	7.9
399.21579	1.4
473.27515	74.0
474.27734	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	473.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.4
59.01249	7.3
67.01765	0.9
69.32111	4.3
71.01247	7.1
71.04910	0.5
72.99164	0.4
73.02821	1.3
83.01241	0.9
83.04905	0.6
83.80468	0.4
85.02827	2.7
87.00746	0.7
89.02297	2.8
97.06445	1.3
99.00743	0.8
101.02329	4.7
113.02336	2.4
113.09611	0.6
119.03385	1.3
123.08020	0.5
125.09599	4.1
139.11150	1.2
141.12741	1.1
149.09608	1.0
154.09961	0.7
167.14319	1.7
171.10139	2.3
177.12784	0.7
185.11734	6.1
193.12276	1.0
195.13808	0.7
197.11748	2.1
209.11728	0.6
211.13322	33.7
212.13666	2.1
213.29211	0.4
249.22241	1.4
272.39917	0.5
275.20215	0.6
293.21204	67.5
294.21506	4.7
296.05161	0.5
307.22849	0.5
311.22253	23.6
312.22531	1.5
324.59238	0.4
473.27512	100.0
474.27869	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	474.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27906	5.2
59.01248	82.7
60.97394	8.9
69.03329	9.3
71.01247	59.0
72.99153	7.3
74.29762	4.5
83.16657	3.8
85.02818	8.5
87.00755	8.9
89.02303	46.3
95.01270	6.7
96.95885	6.3
98.20556	8.4
101.02309	34.8
107.04929	4.6
112.03931	5.2
113.02296	21.8
119.03411	26.6
121.06300	4.4
122.02316	22.2
143.03369	6.0
144.04520	5.4
147.04454	4.9
163.02132	5.8
164.03426	5.2
170.05995	9.3
172.07542	5.4
179.05484	8.7
180.01146	85.4
186.05481	8.2
188.07115	12.3
190.03389	5.0
190.05011	15.9
191.05577	5.4
193.04953	9.5
198.02243	8.5
198.05521	12.8
201.04131	4.7
216.06610	45.4
232.04337	100.0
250.05313	12.7
258.07629	6.6
474.10687	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	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95128	0.2
59.01237	0.4
63.23553	0.2
67.52860	0.2
67.87594	0.3
69.19615	0.2
71.30237	0.6
74.53090	0.2
78.95772	100.0
96.96836	8.3
98.58031	0.3
111.49099	0.3
121.23040	0.3
140.01071	0.4
152.99481	18.0
162.83795	0.6
171.00543	19.8
171.20868	0.3
201.75662	0.2
214.04785	0.4
244.16867	0.2
277.21637	1.6
310.88074	0.3
397.85690	0.2
400.22549	1.7
409.76813	0.2
450.39389	0.3
474.26212	55.4
475.26480	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	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36027	0.2
59.01257	0.3
62.96297	0.2
64.10469	0.2
66.78664	0.2
69.54600	1.7
69.89351	0.2
78.95773	100.0
96.96834	8.2
98.21870	0.2
99.90544	0.2
150.97925	0.4
152.99483	18.0
162.83833	0.2
165.61507	0.2
171.00548	21.2
187.22203	0.2
214.04683	0.5
315.20792	0.2
316.05228	0.2
400.22549	1.8
431.80017	0.2
474.26227	46.7
475.26529	4.0
488.26526	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	475.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34084	0.4
53.50575	0.4
56.17937	0.4
58.99478	0.5
59.01250	6.4
69.03391	0.4
70.97147	0.8
70.99476	4.9
71.01252	3.8
73.02807	0.9
74.98987	1.7
85.02824	1.7
87.00745	3.0
89.02310	1.5
93.03345	0.5
95.01283	1.0
98.01760	0.4
99.00785	0.5
101.02293	2.5
102.98479	0.9
113.02325	1.1
119.03365	1.0
120.99540	19.0
123.00761	13.8
123.04376	0.7
125.02281	0.6
132.26321	0.4
133.02872	0.6
138.03122	56.1
139.03419	1.0
151.03854	0.4
153.05476	100.0
154.05815	2.6
160.01558	0.8
161.02350	10.9
161.04472	1.4
161.92487	0.4
175.03935	0.8
176.04697	19.8
177.05370	2.1
179.01773	0.7
191.05620	1.2
191.07056	25.8
192.07463	1.0
194.00407	4.8
195.01138	2.6
197.02718	1.5
208.01935	1.7
209.02702	8.1
209.04602	0.6
209.08174	1.0
210.03506	6.5
212.01376	0.6
223.04282	3.8
224.05014	1.0
225.05852	86.3
226.06184	3.2
239.03609	0.4
267.06927	0.7
283.11871	0.8
313.07495	13.4
313.11038	0.8
387.11172	18.6
388.11475	1.2
415.16080	1.6
421.82587	0.5
438.55936	0.5
475.12766	22.0
476.13025	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	475.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84345	0.5
55.15554	0.5
55.23547	0.5
58.45670	0.5
59.01257	2.8
68.99686	2.1
69.03309	2.1
70.80476	1.1
71.01250	1.8
86.11583	0.6
87.00748	100.0
88.01090	1.4
89.02316	1.2
93.03339	3.3
95.01250	0.6
96.68032	0.6
96.95888	9.8
100.15755	0.5
101.02310	3.7
105.78505	0.6
113.02346	1.6
121.02782	1.4
121.06494	1.0
123.04433	0.7
127.03878	2.2
149.02373	0.8
153.05473	7.4
155.03375	1.4
181.04984	1.0
182.87865	0.5
193.04953	0.6
208.09319	0.6
225.04015	2.7
300.81873	0.5
310.75055	0.5
457.13647	6.7
475.14459	13.2
476.15176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66935	0.3
52.71557	0.3
59.01250	2.9
61.17795	0.3
62.38220	0.3
63.98693	0.4
65.03837	0.5
67.01749	1.0
68.00209	0.3
68.99686	1.7
69.03325	2.3
71.01245	1.6
71.28427	0.6
72.99192	1.2
85.02838	0.9
87.00751	100.0
88.01086	0.8
89.02306	1.1
93.03333	2.2
95.01249	0.8
95.04917	0.4
96.95893	0.6
101.02323	4.0
113.02348	1.2
115.00268	0.4
119.03381	0.4
121.02834	1.5
121.06516	0.5
127.03892	2.1
133.04733	0.4
139.03923	0.4
149.02400	0.4
149.05984	0.4
151.03856	0.4
153.05499	6.8
155.03433	0.9
166.00815	0.5
181.05017	1.0
191.05544	0.5
193.04958	0.8
215.91310	0.3
225.02078	0.5
225.03969	2.7
265.71136	0.4
277.07101	0.7
443.12112	0.6
457.13452	5.9
458.13492	0.8
475.14465	6.8
476.14655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	4.9
57.03318	5.5
59.01248	85.6
68.99685	6.0
69.03329	3.4
69.47284	16.9
71.01250	57.8
72.99180	10.6
73.02824	19.2
75.00719	5.0
81.03374	2.6
83.01246	12.0
85.02830	28.2
87.00755	15.5
88.00281	6.1
88.98657	14.4
89.02313	35.8
90.01821	3.4
93.03351	4.5
96.95883	5.9
97.02809	2.9
99.00769	8.6
101.02317	67.0
103.03881	4.8
113.02336	22.3
115.71228	1.9
119.03363	5.4
119.04905	2.6
121.02810	2.0
123.04424	3.8
125.02377	4.5
129.01837	2.4
140.28630	2.3
143.03307	3.1
152.03409	5.6
153.05548	4.5
155.03412	3.0
159.02968	4.4
161.04465	27.7
163.06018	3.9
189.05403	2.2
191.05504	8.2
225.05850	4.4
253.10773	8.5
269.10297	68.2
270.10730	2.8
327.08722	3.9
390.75375	2.5
415.16064	100.0
416.16385	7.6
475.14987	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	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90834	0.8
57.03302	1.1
58.00469	1.0
59.01250	100.0
68.99690	5.4
69.03324	7.8
69.25697	8.8
71.01254	25.3
72.99179	2.7
73.02817	5.6
74.98975	0.8
75.00731	0.8
83.01260	1.6
85.02818	4.3
87.00749	4.1
87.04379	1.1
89.02312	26.3
93.03364	1.8
95.01276	1.6
95.04872	1.0
96.95901	1.1
97.02818	1.2
99.00826	0.9
101.02319	33.2
105.03371	1.5
113.02319	12.0
119.03387	6.8
119.04876	0.8
121.02826	1.4
121.06496	2.1
123.00765	1.0
125.02345	1.6
131.03410	1.3
135.04352	1.4
135.98251	1.1
143.03357	2.5
149.02304	1.7
149.04483	2.2
151.07567	1.1
155.03375	1.4
161.04434	5.0
165.05505	1.2
173.04535	1.7
177.01826	1.3
179.05547	5.0
183.06538	13.0
191.05544	7.0
191.68694	0.8
209.08113	2.0
240.34845	0.9
244.12552	0.8
253.10905	5.4
293.08759	1.3
293.81577	0.9
303.14343	0.9
303.88965	0.9
304.69373	0.8
415.15811	1.3
415.23544	4.5
415.43292	0.8
433.24088	2.0
475.23636	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	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	5.1
57.03325	7.5
59.01250	100.0
67.21114	4.6
70.41549	9.0
70.41918	7.7
71.01244	56.5
72.99160	7.5
73.02803	21.6
73.04073	4.5
75.00745	6.0
85.02820	29.1
87.00750	17.7
88.00257	11.8
88.98684	12.1
89.02312	38.8
93.03314	5.0
93.45928	4.9
96.18143	5.7
99.00748	9.7
101.02309	50.3
113.02330	37.3
118.97979	5.9
119.03358	9.1
135.04359	5.9
143.03455	5.3
155.03368	5.6
159.02884	4.8
161.04449	25.3
191.05579	21.6
253.14476	12.7
265.90063	4.4
283.11856	99.8
284.12039	8.8
415.16034	54.3
416.16553	7.9
474.36115	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16564	0.6
57.03323	1.8
58.00460	1.2
59.01247	100.0
60.01584	0.8
63.85210	0.6
63.97364	0.7
69.03336	0.9
71.01251	17.5
71.58983	1.4
72.99176	2.0
73.02821	3.3
75.00732	1.0
83.01262	1.7
83.04890	1.1
85.02820	6.8
87.00754	3.5
89.02309	11.1
89.02831	1.0
90.98466	2.8
93.03340	2.1
95.01287	0.7
96.91657	0.7
99.00776	2.3
99.04357	0.7
101.02313	13.7
101.05946	0.7
113.02325	8.3
118.97858	0.6
119.03393	5.0
131.03384	1.0
135.04457	0.9
135.08028	0.7
135.98286	1.5
137.02301	0.7
143.03395	1.2
147.19553	0.7
159.02863	1.4
161.02419	1.2
161.04468	10.2
166.04979	4.7
167.05359	3.2
168.98560	0.8
173.04492	1.2
175.03809	0.8
179.05585	2.1
179.98804	1.4
191.05557	6.2
192.06027	0.8
194.00374	2.5
195.01094	3.8
207.10281	0.9
209.02730	3.6
209.11729	1.2
210.03482	2.5
221.11897	0.6
225.05844	5.8
233.10162	1.0
239.12729	1.1
253.14482	1.4
294.95071	0.8
297.13156	0.6
313.07657	1.1
372.08908	1.3
387.11386	4.3
412.18491	0.7
415.23331	15.9
416.23898	1.7
423.20450	0.8
475.17950	2.3
475.25192	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	475.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88539	0.8
55.01757	1.2
57.03302	1.2
58.00463	1.2
59.01247	100.0
60.01572	1.0
67.35056	0.8
69.03326	1.3
70.92398	2.6
71.01251	18.5
72.99173	1.9
73.02811	5.4
80.60006	0.8
82.44727	0.9
83.01244	1.9
84.98988	0.8
85.02814	7.5
87.00751	2.7
89.02315	13.7
93.03316	2.4
95.01266	1.7
99.00769	0.9
101.02313	10.0
106.04181	0.9
113.02328	8.8
119.03368	5.6
133.82355	0.8
133.83380	0.9
135.04398	1.0
143.03391	2.0
150.19916	0.8
159.02895	1.1
161.04463	9.2
173.04410	1.5
179.05501	5.0
191.05519	7.8
205.03456	1.1
221.11714	2.2
229.18480	0.8
232.54877	0.8
239.12831	1.1
281.10400	1.9
345.19095	2.8
415.23309	10.9
416.23593	1.1
475.25055	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58213	16.3
56.92392	13.4
59.01249	100.0
71.01266	15.0
78.95787	48.9
79.43138	14.3
96.95866	19.0
126.80832	18.1
132.87137	16.0
140.06578	15.0
152.99576	18.7
197.03592	14.6
218.39702	17.2
279.23306	55.2
354.55859	17.9
368.15121	17.2
389.28256	17.3
437.89520	16.4
474.36862	19.0
475.26538	21.4
475.37003	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	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10468	0.4
59.01249	2.5
61.98703	0.6
65.32244	0.4
65.75306	0.4
71.14510	1.2
78.95771	42.1
80.65635	0.5
82.03259	0.4
96.96838	1.8
122.00021	1.0
140.01080	5.5
152.99471	5.1
171.00537	3.9
177.01859	0.8
185.47403	0.4
191.05511	1.5
196.03720	10.6
214.04771	2.5
279.23267	100.0
280.23636	8.0
312.74356	0.5
332.69495	0.5
402.04803	0.5
432.22437	0.5
476.27792	37.7
477.28195	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	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24577	0.3
60.59117	0.3
62.34804	0.3
63.88091	0.3
70.64947	0.4
70.65273	0.6
70.91812	0.3
78.95771	100.0
84.32590	0.3
85.67992	0.3
96.82106	0.3
96.96833	8.2
98.19746	0.3
125.44473	0.3
140.01102	0.3
152.99475	16.9
171.00542	18.6
272.33109	0.4
388.19757	0.5
402.23965	1.7
476.27792	57.0
477.28235	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	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88014	0.3
62.96288	0.4
66.84448	0.2
68.16043	0.3
70.92348	0.6
78.95770	100.0
80.64231	0.3
86.31160	0.3
88.39218	0.2
96.96836	8.7
98.86923	0.2
140.01093	0.4
152.99481	17.9
171.00539	19.6
222.85300	0.3
247.89665	0.3
250.12914	0.3
297.77927	0.3
343.03531	0.2
363.78781	0.3
367.22723	0.3
386.79709	0.3
402.24084	1.5
474.79877	0.3
476.27780	60.4
477.28101	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	477.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88583	0.6
59.01248	8.3
67.91885	0.7
71.01246	8.6
71.58598	1.3
72.99167	2.8
73.02814	0.9
75.00743	100.0
76.01081	0.8
85.02823	2.8
87.00768	1.6
89.02309	5.5
96.95887	25.6
101.02319	5.8
104.05009	0.8
113.02319	2.5
115.26272	0.7
121.02775	0.8
121.06440	0.7
126.13107	0.7
131.03381	1.5
137.78865	0.8
149.04495	1.9
150.05534	1.4
161.04485	2.4
165.05434	0.8
171.39560	0.8
191.05553	1.3
205.22002	0.7
217.10672	1.1
235.13971	0.9
247.95598	0.9
269.10260	1.4
283.11856	3.8
477.19418	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	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99844	5.5
59.01248	100.0
61.42926	5.1
69.51211	40.6
71.01245	68.7
72.99181	39.5
73.02845	8.1
74.98933	6.0
75.00737	22.4
85.02814	22.0
87.00747	18.9
89.01800	10.6
89.02305	83.1
90.01835	11.1
91.00236	97.9
101.02338	36.3
113.02334	24.8
118.97947	12.9
119.03369	26.3
120.99533	13.6
127.00230	8.2
135.04398	8.7
145.28488	6.1
161.04391	10.3
165.03708	10.6
174.82066	5.8
179.05537	11.4
189.09105	5.7
191.05507	17.3
193.04913	14.6
207.10239	15.1
209.09604	9.4
217.96489	6.3
315.08676	22.9
333.39069	6.2
387.64096	6.0
456.60229	6.7
477.10873	21.0
477.19171	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	477.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	5.9
58.21532	2.1
59.01249	64.0
71.01256	54.9
71.01649	3.0
71.58929	3.3
72.99174	33.2
73.02818	7.4
75.00739	24.0
83.01302	2.8
84.66507	2.6
85.02831	28.6
87.00750	12.3
88.98689	2.9
89.02309	53.4
90.01874	11.6
91.00238	100.0
95.01286	5.5
97.02779	2.6
99.00734	4.7
101.02323	34.7
103.09733	2.3
103.38241	2.6
113.02313	20.7
119.00581	2.3
119.03407	20.5
121.02901	2.8
123.04397	3.2
123.08059	4.0
125.05963	3.0
129.01773	2.8
131.76955	2.9
135.04424	6.1
135.08180	2.6
138.06660	3.1
139.07518	4.5
143.03358	5.3
149.04494	2.5
150.03050	3.3
151.07590	5.4
152.08322	4.8
153.09122	17.7
161.04448	11.0
165.05457	3.7
177.09119	3.6
179.05562	16.6
179.06889	3.5
181.04974	4.8
188.34013	2.7
189.09056	2.4
191.05518	6.4
204.08041	2.5
205.12154	5.7
219.10211	8.8
221.11795	5.8
237.11215	4.9
477.18811	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	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03308	1.5
58.00461	0.8
59.01247	16.9
69.03326	3.6
69.41891	2.4
69.42326	1.9
71.01247	11.2
71.04865	2.3
72.99184	1.3
73.02802	3.0
75.00743	0.6
77.20361	0.5
83.01226	1.1
85.02807	3.7
87.00748	1.9
88.16557	0.4
89.02322	7.9
91.03869	0.5
93.03317	0.4
95.01254	1.4
97.02819	0.8
97.06471	0.7
98.20548	0.8
99.00769	1.0
101.02312	11.1
105.01779	0.9
111.07947	0.5
113.02322	5.2
116.00415	0.4
118.53683	0.4
118.77192	0.4
119.03376	2.2
120.99614	0.5
123.08089	0.9
125.09613	1.8
128.58156	0.5
131.03416	0.6
137.09612	0.6
143.03461	0.7
148.29483	0.5
149.09616	0.6
150.73422	0.5
151.11182	2.0
153.12747	1.4
161.04453	3.6
161.09628	3.0
179.05598	0.7
179.10670	7.7
191.05496	2.4
197.11755	90.5
198.12047	2.7
209.11731	2.2
213.11232	0.9
223.09653	2.3
241.10776	7.0
253.09267	5.6
315.14346	2.0
385.18640	0.9
402.28159	0.6
459.18851	0.9
477.19717	100.0
478.20184	7.5
478.26431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03324	1.3
59.01244	8.6
69.03320	3.3
71.01250	6.2
71.04886	3.1
71.39093	0.9
72.97379	0.6
72.99177	0.8
73.02825	1.1
75.00725	0.5
76.32284	0.5
83.04888	0.6
85.02820	1.9
87.00755	1.7
89.02296	4.3
90.25239	0.4
93.03345	1.2
95.01270	0.7
96.95914	0.5
97.02811	0.5
97.06483	0.5
99.00762	1.0
101.02322	5.6
113.02341	2.2
115.00264	0.5
119.03404	0.8
123.08008	1.0
125.09618	1.7
133.01396	0.5
138.00555	0.5
149.55481	0.5
151.11206	1.8
153.12733	2.2
161.04448	1.3
161.09630	2.9
179.05615	0.5
179.10680	6.8
191.05531	1.1
197.11754	100.0
198.12082	4.7
205.08784	0.6
209.11699	0.9
223.09747	2.9
241.10789	11.5
253.09296	3.5
286.40012	0.5
361.18680	0.7
459.18689	1.0
477.19711	85.2
478.19910	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	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51992	0.5
55.01754	1.7
57.03333	2.0
58.00467	1.1
59.01248	100.0
63.15835	0.6
71.01250	35.7
72.99177	1.2
73.02814	6.9
73.86199	0.5
83.01256	3.8
85.02818	11.9
87.00762	2.0
87.04401	1.0
89.01752	1.2
89.02311	23.3
95.01282	2.4
97.02841	1.2
98.19741	1.0
99.00745	3.1
101.02316	29.0
103.80067	0.6
113.02320	16.7
117.15248	0.6
119.03387	10.6
125.02375	0.9
131.03436	1.5
139.84467	0.7
143.03392	4.0
149.04489	0.9
159.02855	3.4
161.04448	25.5
179.05525	8.5
191.05544	1.0
246.30510	0.6
255.19664	2.1
311.74066	0.6
417.24911	55.9
418.25180	5.0
422.69882	0.7
477.26965	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	477.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
55.73128	1.1
57.19794	1.2
58.00459	1.3
59.01247	100.0
59.04452	1.1
67.01545	1.2
69.50519	9.6
71.01247	35.6
72.99160	1.5
73.02815	3.9
83.01251	1.4
85.02816	7.8
87.00770	1.7
89.02309	36.4
95.01246	1.8
99.00745	1.6
101.02318	28.7
101.02993	1.5
107.41659	1.0
113.02335	13.7
119.03368	17.5
131.03412	2.8
143.03403	4.8
149.04469	2.3
159.02907	1.9
161.04469	16.6
172.98503	1.3
179.05513	17.5
255.19614	9.5
417.24896	59.2
418.25287	5.2
457.24844	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	477.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	3.3
98.19830	3.0
112.24287	1.1
137.09615	8.1
155.10678	100.0
156.11015	4.0
171.10172	15.8
181.08572	1.5
199.09679	46.4
217.10747	74.7
218.11223	1.4
277.18909	2.3
277.21722	33.6
278.22012	2.1
284.24344	1.1
361.57053	1.3
404.23233	1.3
477.32059	18.3
478.32370	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	478.2937
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
53.38290	0.2
54.89621	0.2
59.01239	0.7
62.96268	0.3
69.58448	1.8
73.33224	0.2
78.95773	100.0
89.10780	0.2
96.95898	0.5
96.96838	8.9
98.19735	0.3
100.11877	0.2
105.15399	0.2
140.01082	0.4
150.22284	0.3
150.97908	0.3
152.99481	17.2
153.99983	0.2
171.00546	19.3
172.00713	0.2
173.26108	0.3
180.91522	0.2
197.46184	0.2
207.78806	0.2
214.04794	0.4
232.97574	0.2
264.72644	0.3
404.25510	1.8
478.29349	55.2
479.29590	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49634	5.1
59.00982	5.4
59.01250	63.5
68.99667	13.6
69.52691	33.5
71.01252	42.5
72.99170	11.6
73.02812	8.8
75.00735	18.0
75.80758	4.1
83.01235	5.4
85.02814	15.6
87.00758	4.3
89.02309	32.2
91.00233	17.4
93.03320	14.3
95.01247	5.4
97.02818	6.6
98.19743	5.1
99.00731	21.5
101.02334	28.7
113.02284	17.1
119.03409	10.4
120.99498	9.4
123.04424	11.7
127.03882	5.1
135.04428	5.1
137.02335	11.5
154.45886	4.3
155.03384	7.0
156.90157	4.7
161.02348	14.1
161.04497	8.2
163.03899	5.2
163.11159	9.0
171.10216	9.0
181.12218	15.3
191.05536	31.7
193.08652	5.4
199.13301	14.1
207.10205	34.0
221.04468	11.7
225.11313	55.2
226.11584	4.6
243.12286	28.1
379.59158	5.0
425.48019	4.6
479.20947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70193	1.1
57.03331	1.3
58.00472	1.7
59.01248	100.0
64.53081	1.1
68.99673	6.5
69.03343	1.8
69.71210	7.3
71.01255	30.6
72.38063	1.1
72.99168	6.9
73.02801	2.2
75.00738	1.8
84.00439	1.1
85.02823	5.2
87.00715	2.3
89.02314	33.3
95.01259	6.5
98.19851	1.9
101.02319	26.9
113.02327	11.9
116.68987	1.2
119.03394	11.7
123.04405	11.3
143.03381	3.4
155.03421	17.9
161.02278	1.9
161.04414	4.4
171.10138	3.1
175.03992	1.6
179.05515	13.1
185.11771	1.4
191.05513	4.9
225.07613	5.6
225.11156	2.4
226.44270	1.3
266.60941	1.3
387.12851	1.3
479.24835	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	479.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
68.99715	14.4
69.03319	32.9
69.74400	42.0
71.01257	62.6
72.99200	8.1
73.02810	12.0
75.00742	8.0
78.26832	6.2
84.86809	6.2
85.02818	24.8
87.00746	21.4
89.02299	61.8
89.52472	6.6
93.03336	13.0
95.01272	6.9
101.02319	92.6
103.98231	6.2
113.02316	26.3
119.03388	19.3
120.99541	7.4
130.68199	6.5
131.03297	7.0
143.03386	8.0
149.04468	20.6
150.97150	6.2
161.04428	17.4
162.40619	6.0
171.10170	8.2
173.04424	17.2
179.05478	7.4
191.05528	68.5
207.10237	10.9
225.11226	14.8
253.09225	11.8
419.22638	8.5
433.24390	24.2
479.20593	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	479.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30620	1.8
59.01252	100.0
63.36218	2.0
68.99667	3.9
71.01258	34.6
71.57983	2.0
71.58385	3.4
72.99188	10.1
73.02800	5.1
74.98968	3.5
75.00758	6.0
85.02826	9.6
87.00744	5.9
88.06835	2.0
89.02314	44.9
91.00237	2.8
93.03304	2.6
95.01250	6.0
99.00688	2.3
101.02316	33.2
113.02322	17.7
118.97971	9.7
119.03368	19.1
120.99538	3.5
121.02850	2.4
123.04396	9.0
131.03386	2.3
143.03400	5.9
143.04533	2.1
155.03395	15.0
161.04404	4.0
164.81306	2.2
169.25565	2.0
171.10153	6.6
179.05548	17.0
191.05515	12.8
201.11284	6.9
207.10156	5.6
211.08023	2.7
215.12846	3.7
225.07607	6.0
225.11301	10.1
227.45238	2.2
253.09207	4.0
254.89680	2.0
359.20514	3.1
479.15952	8.9
479.21100	2.1
479.24451	6.7
492.21661	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	479.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58178	2.7
59.01245	32.9
67.41255	2.8
69.03330	3.2
71.01244	45.5
71.59149	4.4
73.02824	12.9
81.03328	4.0
83.04914	3.9
84.34280	2.9
85.02821	8.3
86.69517	3.1
87.00751	5.6
89.02316	10.8
96.95873	42.0
97.02845	4.3
97.06515	3.0
99.00764	7.9
101.02321	16.4
109.02836	3.9
109.06460	22.6
113.02311	4.5
121.06464	3.5
125.09631	11.3
135.08035	3.8
149.09515	3.4
151.07510	3.1
161.04492	7.1
163.11195	15.8
170.36060	3.9
171.10194	32.4
179.05618	3.2
181.12213	16.2
183.72336	3.4
184.70166	3.9
185.11765	8.4
191.05562	4.4
197.11809	5.4
199.09631	4.9
199.13303	13.1
201.11250	46.1
207.10173	68.8
207.12115	4.5
208.10468	3.5
215.12822	8.6
217.00233	3.4
225.11264	100.0
243.12294	22.8
247.02283	5.1
253.09244	21.1
259.04871	3.4
307.01938	3.5
360.33725	3.4
369.24713	3.3
397.16370	3.4
461.20386	10.6
479.15176	3.6
479.21338	65.6
479.27145	5.6
480.21490	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	479.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30243	2.3
55.88102	2.3
57.03310	2.2
59.01246	28.6
61.22618	2.2
64.03170	2.2
67.87740	2.2
69.91437	12.4
70.09022	2.6
71.01252	48.7
71.19083	2.3
72.99177	4.2
73.02829	13.6
81.03329	4.1
82.35548	2.4
83.01269	3.1
83.04871	2.9
85.02813	7.7
87.00761	5.5
89.02306	10.0
89.39849	2.3
93.03345	2.7
95.01290	3.0
95.04872	3.0
96.95876	5.3
97.02818	8.9
97.06451	3.6
98.20430	3.3
99.00757	10.9
101.02318	13.3
109.06487	20.8
111.04387	3.0
113.02306	9.1
119.03318	3.5
125.09577	7.5
127.11133	2.7
135.04353	2.9
135.08057	3.8
137.09550	2.8
139.07578	4.0
143.01505	2.1
152.99475	3.1
155.10695	3.7
161.04405	6.9
163.11214	21.3
171.10175	35.3
181.12276	17.1
185.11737	8.2
189.09160	3.0
191.05637	4.4
197.11703	5.0
199.13341	19.7
201.11270	56.8
202.11578	3.1
207.10188	70.0
208.10487	3.8
215.12856	8.1
217.00267	5.0
225.11275	100.0
226.11703	5.1
243.12354	21.0
253.09238	25.9
277.88974	2.3
283.08755	3.0
295.10385	3.3
336.08694	2.4
366.86368	2.9
419.13818	7.6
461.20209	18.8
479.21268	64.0
479.27136	4.8
480.21664	4.9
501.38315	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	479.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59349	1.6
53.53669	1.4
59.01242	8.8
61.98706	1.6
67.01798	1.8
71.01252	5.4
71.04886	3.6
72.99193	1.9
78.95754	11.9
85.02816	3.1
87.04374	9.8
93.03326	1.7
96.95868	3.8
97.06461	4.9
98.20637	2.6
99.00730	2.3
101.02310	3.1
110.01468	1.5
112.05853	1.6
127.03851	1.4
135.04465	1.7
152.99464	13.3
163.11191	3.8
171.10175	5.5
173.05865	2.1
175.11218	2.3
177.09181	2.1
187.07535	3.4
190.09848	2.3
191.05486	8.1
191.10594	2.2
197.11931	1.7
201.12788	9.2
204.11479	3.0
207.10162	2.4
211.13281	2.3
215.12866	2.7
221.60333	1.6
225.11301	7.3
229.12482	1.9
233.11371	1.6
253.09378	2.5
273.18576	29.5
274.18845	1.6
284.71738	1.6
289.18088	35.4
293.20996	2.8
295.09653	1.6
311.22357	6.1
311.35895	1.5
317.17557	100.0
318.17877	5.9
479.20679	4.2
479.30228	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	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47210	0.5
57.03327	0.5
57.49376	0.5
59.01249	11.4
60.01579	1.4
61.01678	1.0
61.98700	100.0
67.01762	1.0
71.01248	3.9
71.59159	0.7
72.01573	0.5
72.99197	0.8
73.02822	0.5
76.41722	0.5
78.95766	1.0
81.03354	0.5
83.01290	0.5
84.01590	0.5
85.02805	2.5
87.00755	1.6
89.02338	1.4
93.03339	5.2
100.22502	0.5
101.02316	2.7
103.02760	0.6
111.04405	0.6
113.02337	1.4
119.03433	0.6
133.02885	1.6
134.03656	1.6
135.04445	1.0
137.02356	0.8
160.01614	0.8
160.63893	0.6
161.04488	0.8
163.05025	0.6
173.04482	3.1
177.01862	1.1
178.02600	0.6
179.03471	0.7
191.05527	13.1
192.05782	0.5
211.13297	0.9
274.54568	0.5
306.07590	0.8
351.07394	1.5
397.13736	0.6
418.17868	0.8
419.25800	0.6
420.25848	2.5
435.31747	0.5
449.14743	2.1
481.17383	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	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47210	0.5
57.03327	0.5
57.49376	0.5
59.01249	11.4
60.01579	1.4
61.01678	1.0
61.98700	100.0
67.01762	1.0
71.01248	3.9
71.59159	0.7
72.01573	0.5
72.99197	0.8
73.02822	0.5
76.41722	0.5
78.95766	1.0
81.03354	0.5
83.01290	0.5
84.01590	0.5
85.02805	2.5
87.00755	1.6
89.02338	1.4
93.03339	5.2
100.22502	0.5
101.02316	2.7
103.02760	0.6
111.04405	0.6
113.02337	1.4
119.03433	0.6
133.02885	1.6
134.03656	1.6
135.04445	1.0
137.02356	0.8
160.01614	0.8
160.63893	0.6
161.04488	0.8
163.05025	0.6
173.04482	3.1
177.01862	1.1
178.02600	0.6
179.03471	0.7
191.05527	13.1
192.05782	0.5
211.13297	0.9
274.54568	0.5
306.07590	0.8
351.07394	1.5
397.13736	0.6
418.17868	0.8
419.25800	0.6
420.25848	2.5
435.31747	0.5
449.14743	2.1
481.17383	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	480.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14620	0.5
59.01244	7.7
60.99199	0.7
61.98699	100.0
67.01752	3.2
69.03331	0.8
70.83577	1.0
70.83890	0.6
71.01231	3.9
78.95776	1.7
83.01233	0.8
85.02802	3.2
87.00740	3.8
89.02325	1.3
93.03330	15.4
99.00748	0.8
101.02340	1.7
109.02852	1.4
111.00778	0.9
111.04430	2.3
113.02348	1.3
129.01880	0.7
133.02888	1.8
134.03644	2.5
135.04385	1.5
137.02316	1.3
143.03389	0.8
152.99512	0.7
155.03409	0.7
173.04475	13.6
177.01883	1.1
178.02649	1.2
179.03497	0.9
191.05536	12.4
215.05444	0.6
243.13940	1.4
244.14185	3.9
252.16270	0.6
254.12708	0.7
255.13847	7.3
256.14209	17.4
273.14996	1.0
274.15094	1.4
306.07507	1.1
317.13983	2.3
318.14282	5.9
332.82257	0.8
350.89639	0.6
419.25851	0.9
420.25952	1.8
427.49115	0.7
449.14642	3.0
480.19336	6.1
480.29749	0.9
481.16995	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.5
58.00461	0.5
59.01250	3.8
60.99177	5.8
65.03836	0.5
66.41740	0.3
67.01759	14.2
69.03331	3.6
70.56330	1.1
71.01250	5.7
71.04872	0.4
73.02807	0.4
73.40678	0.3
81.03336	2.9
83.01244	0.4
83.04916	2.1
85.02830	2.2
87.00747	18.1
93.03333	100.0
94.03687	2.2
95.72331	0.4
97.06448	2.1
99.00760	1.9
99.04404	1.9
101.02322	0.9
109.02836	1.7
111.00755	0.9
111.04402	15.7
112.02209	0.4
112.04762	0.4
113.02312	1.2
115.03896	1.4
121.02850	0.7
127.03913	0.7
129.01790	2.2
133.02855	4.2
134.03625	37.4
135.04454	7.4
137.02330	6.4
139.03886	1.2
143.03386	0.9
153.01816	0.4
155.03412	5.6
162.03137	0.6
165.01843	0.4
166.18918	0.4
173.04463	94.4
174.04796	2.4
177.01828	6.3
178.02628	23.4
179.03418	4.2
191.05539	5.4
231.10277	2.4
275.09232	8.0
306.07443	0.7
307.11838	16.0
308.12189	1.1
449.14594	5.9
481.17087	29.4
482.17633	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27233	0.4
50.67606	0.4
55.59227	0.4
56.66205	0.4
57.03334	2.2
59.01248	3.0
60.99168	5.5
64.25630	0.4
65.03825	0.8
67.01758	15.0
68.08739	0.4
69.03326	4.6
70.56289	1.5
71.01247	5.7
71.63824	0.4
72.99186	0.4
73.03948	0.4
77.55721	0.4
81.03322	2.5
83.04897	2.2
85.02826	1.3
87.00748	19.8
93.03332	100.0
94.03659	2.2
97.06474	1.5
99.00765	2.4
99.04407	1.9
101.02322	0.5
101.85056	0.5
109.02856	1.1
111.00791	0.8
111.04399	12.9
113.02325	1.3
129.01848	2.9
133.02838	1.2
134.03630	22.9
135.04411	3.8
137.02319	2.2
143.03391	0.8
155.03406	4.2
173.04459	69.1
174.04808	2.1
176.85643	0.5
177.01828	1.0
178.02678	3.8
179.03389	0.9
190.55701	0.5
191.05548	2.3
214.81245	0.4
231.10233	0.7
275.09277	1.5
307.11862	4.8
317.60245	0.5
449.14438	11.3
450.15320	1.0
481.17130	34.6
482.17435	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29502	0.4
57.03315	0.4
57.13702	0.4
59.01249	0.5
64.95000	0.4
67.01763	0.5
69.12955	0.4
69.65867	1.4
69.66275	1.2
71.01265	0.7
83.04900	0.9
85.02819	1.0
93.03323	3.6
97.06465	5.7
98.20519	0.8
105.03376	0.6
106.04131	0.5
111.04410	3.2
112.54991	0.4
119.77149	0.4
121.02850	0.5
129.01834	0.6
133.02850	3.5
134.03625	84.4
135.04456	7.6
137.02367	1.7
139.03912	0.5
155.03403	3.1
173.04465	8.8
177.01857	5.3
177.58867	0.4
178.02615	17.0
179.03368	1.6
188.18936	0.4
188.90123	0.4
191.05548	7.4
231.10190	3.0
261.25388	0.4
265.60516	0.5
275.09183	5.3
303.09299	0.5
307.11844	100.0
308.12140	6.4
312.25424	0.5
334.18344	0.4
340.36780	0.5
481.17172	3.9
482.17383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07867	0.6
57.03308	1.5
59.01249	2.1
60.99178	5.0
61.98689	1.0
65.03819	0.7
67.01753	14.4
69.03321	3.5
70.16476	0.6
70.72871	1.8
71.01247	5.3
81.03337	2.7
83.04884	2.2
85.02799	1.0
86.62484	0.6
87.00742	21.4
93.03329	100.0
94.03661	1.7
98.19825	0.7
99.00740	2.1
99.04378	1.7
99.21958	0.6
101.02310	0.6
109.02831	1.5
111.04391	13.2
111.05135	1.2
113.02309	1.8
129.01796	2.3
133.02841	3.5
134.03638	8.8
135.04401	2.1
137.02301	2.8
143.03413	0.8
155.03362	2.7
169.57169	0.6
173.04459	53.4
174.04785	1.0
177.01849	1.7
178.02592	8.2
179.03433	0.9
191.05508	2.4
247.50397	0.6
275.09259	1.0
282.84521	0.5
351.07333	1.0
352.07986	1.3
449.14471	40.0
450.15054	3.7
481.17072	17.6
482.17230	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75035	0.2
57.03325	1.2
59.01250	3.6
60.99174	2.5
65.03830	0.4
67.01759	8.0
69.03325	2.3
70.56201	0.5
71.00878	0.4
71.01250	4.7
72.99158	0.3
73.02814	0.3
78.95773	0.4
81.03318	1.4
83.04893	1.8
85.02833	1.7
87.00751	7.7
88.52552	0.2
89.02306	0.4
93.03333	51.7
94.03654	1.0
97.02840	0.4
97.06465	1.0
98.19894	0.3
99.00753	0.6
99.04371	0.7
101.02325	0.6
105.03380	0.3
109.02832	1.2
111.00739	0.9
111.04400	8.6
113.02312	0.9
115.03914	0.6
121.02874	0.4
125.02306	0.3
127.03883	0.7
129.01773	1.2
133.02843	2.6
133.37804	0.2
134.03629	19.6
135.04440	3.2
137.02333	4.8
139.03902	0.3
143.03392	0.3
147.04453	0.2
148.98280	0.2
150.03125	0.2
152.99475	0.6
155.03401	4.8
161.02354	0.3
161.04366	0.3
173.04465	100.0
174.04832	2.6
177.01833	3.4
178.02628	8.6
179.03438	2.2
191.05545	7.2
192.05876	0.4
231.10211	1.2
257.08292	0.3
257.29770	0.3
275.09232	3.7
300.40808	0.2
306.07349	0.6
307.11850	9.3
307.15411	0.5
308.12213	0.5
310.57291	0.3
421.20859	0.6
445.21140	0.4
449.14597	4.2
450.14755	0.3
481.17108	16.9
482.17361	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09013	0.5
52.14975	0.4
55.10690	0.4
57.03310	1.8
59.01250	3.6
60.99175	4.9
61.98688	1.3
67.01758	14.0
69.03323	4.3
70.73109	1.0
70.73463	0.8
71.01251	6.1
71.04910	0.5
73.02823	0.5
76.49558	0.4
77.71468	0.5
78.95763	0.9
81.03333	3.2
83.04881	2.8
85.02821	1.6
87.00216	0.9
87.00751	18.5
93.03333	100.0
94.03653	1.9
99.00742	1.9
99.04383	1.6
101.02325	0.7
109.02847	1.6
111.04408	13.0
113.02297	1.5
129.01811	2.6
133.02890	3.4
134.03638	9.8
135.04422	6.2
137.02341	4.1
139.03868	0.9
142.62950	0.5
143.03419	1.0
152.99458	0.6
155.03371	4.6
173.04465	83.2
174.04791	1.9
177.01750	2.3
178.02620	9.2
179.03372	2.9
191.05539	4.1
231.10226	0.5
257.08228	0.8
275.09283	2.2
306.07401	0.5
307.11917	0.6
308.08975	1.6
351.07111	1.7
352.08023	1.7
449.14487	41.0
450.15015	3.8
481.16983	11.0
481.22964	0.8
482.17508	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.9
61.35528	0.3
67.01752	1.3
69.00700	0.4
69.03349	0.4
69.25679	0.3
71.01245	1.3
71.39237	0.5
73.02819	0.6
76.28152	0.3
81.03294	0.5
85.02821	9.9
87.00745	2.6
93.03339	7.3
100.25967	0.3
101.02298	0.4
109.02809	1.6
111.04407	1.4
113.02307	0.4
120.99558	0.4
127.03916	2.6
135.04456	0.5
137.02382	0.6
164.51816	0.3
171.02855	0.6
173.04474	6.6
173.05975	0.7
184.05223	0.5
187.03925	0.6
187.07552	2.3
191.05534	100.0
192.05858	2.2
197.06015	0.5
201.05463	0.8
202.06308	4.1
213.09068	2.1
231.10208	5.0
245.11917	0.3
257.08090	0.8
275.09360	2.4
303.97919	0.3
336.57935	0.3
430.93448	0.4
449.14453	14.2
450.15253	0.7
481.17484	0.8
481.26468	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	481.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20345	10.5
57.03283	13.8
59.01249	59.7
69.03341	12.3
69.80579	66.0
71.01256	24.9
72.99173	10.8
85.02805	15.7
87.00759	15.3
89.02315	13.6
92.45411	10.3
93.03331	24.7
93.39983	12.3
96.95877	31.9
98.19724	15.1
101.02322	14.8
103.48321	11.7
111.04367	14.2
114.12928	11.7
137.79120	10.9
140.33781	10.4
151.25490	12.3
152.99512	16.8
161.04428	16.3
166.92690	11.4
172.05209	11.3
173.04417	26.6
191.05513	100.0
196.06435	11.9
209.11790	32.4
230.34145	11.5
267.67307	11.4
325.27701	11.5
463.30481	22.3
481.32159	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	481.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.2
59.01241	1.9
60.91555	0.4
67.01743	2.3
70.55305	1.5
71.01236	1.0
73.02808	0.7
83.01247	0.5
85.02824	1.9
87.00742	8.4
96.95867	2.8
99.00745	2.6
101.02227	0.5
111.00755	100.0
112.01128	2.3
117.01815	0.8
170.88248	1.3
173.00826	7.0
191.05486	1.0
197.11679	0.5
209.11751	0.8
210.06219	0.5
225.11218	0.6
307.19257	1.0
421.15857	0.7
481.21268	0.8
481.28046	8.8
482.28607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60032	0.4
59.01252	3.9
62.96283	1.4
70.99744	0.9
71.01263	1.4
72.99193	0.5
73.34776	0.4
74.97677	0.4
78.95775	100.0
82.66828	0.4
83.01192	0.4
85.02825	1.7
87.00726	0.9
89.02323	0.6
92.07819	0.4
93.03339	3.0
96.96839	7.3
96.97417	0.8
98.42287	0.4
101.02351	0.7
109.02801	0.4
133.02892	0.7
134.03627	0.7
135.04387	0.7
135.08049	1.6
137.02391	0.5
150.97876	0.7
152.99486	44.4
153.99823	0.9
171.00554	22.3
173.04456	1.8
176.98602	0.4
178.02658	0.9
191.05530	8.3
227.12827	0.5
275.09436	0.6
306.07568	1.1
327.21698	1.1
371.16226	1.4
389.17245	1.0
407.18057	0.6
463.21304	0.5
463.30524	1.1
481.22073	59.0
481.32156	2.1
482.22644	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	481.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89917	0.8
59.01243	6.5
62.31998	0.7
65.81120	0.8
71.01262	3.9
71.58376	1.0
72.99173	2.2
73.02817	2.0
74.02303	1.1
75.00741	100.0
85.02825	2.3
89.02319	2.8
93.03321	1.4
101.02332	3.2
113.02256	1.2
115.03897	0.9
125.09650	0.9
135.04425	1.2
139.03711	0.9
163.03871	1.2
165.09125	1.0
178.02676	0.9
191.05568	6.2
374.30276	0.8
391.08859	0.9
397.33994	1.0
398.27872	0.9
421.20889	1.2
499.21548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.0
57.03321	1.7
57.71243	0.8
59.01241	2.2
65.03806	0.9
67.01737	0.7
67.91457	0.6
69.03310	2.1
69.41722	6.2
70.83648	0.7
71.01241	2.6
72.99166	0.8
73.02815	13.9
74.26225	0.7
81.03329	2.7
83.01245	1.2
83.04401	0.8
83.04893	14.9
85.02811	6.1
87.00735	0.8
89.15265	0.7
93.03328	67.7
94.03664	2.1
98.20604	1.4
99.00750	7.5
99.04410	3.7
101.02305	0.9
109.02819	12.9
111.00744	1.9
111.04396	100.0
111.08035	1.2
112.04755	1.1
115.04580	0.6
123.08074	1.2
125.09603	3.3
127.03893	0.8
127.11180	1.2
129.01836	3.6
137.02342	9.2
137.09607	0.9
143.03429	1.6
155.03409	16.3
171.10229	1.8
173.04465	77.9
174.04727	1.1
184.08745	0.8
187.09714	0.7
191.05521	2.8
195.10394	0.8
199.13319	3.4
201.11279	7.6
213.11250	3.9
245.19080	2.1
277.09195	0.7
289.18076	13.5
307.19104	25.6
308.19547	1.3
325.20163	14.8
326.20499	1.0
366.27469	0.8
433.71432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56506	1.0
64.25343	1.1
70.65224	1.5
70.65559	2.4
78.95302	1.8
78.95768	36.7
96.96821	3.3
98.19814	1.3
121.19872	1.0
125.22099	1.2
152.99477	51.8
169.45357	1.1
171.00536	20.8
180.68686	1.2
220.45055	1.1
227.03186	2.6
237.17998	1.2
245.04274	100.0
246.04555	2.2
253.21687	59.9
254.21980	3.1
258.80493	1.2
259.21027	1.2
481.25638	37.0
482.26135	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	481.2802
Annotation	Virescenoside O
Peak:m/z	Relative Intensity
55.01747	0.9
57.03315	2.7
57.93956	0.5
58.40030	0.5
59.01249	4.2
60.30474	0.7
69.03333	1.3
69.30247	5.7
71.01249	9.8
72.99175	21.7
73.02808	3.4
75.00730	1.0
78.95755	0.9
83.01249	2.0
83.04884	0.9
85.02820	12.7
85.06473	0.5
87.00748	2.8
90.83840	0.5
93.03334	0.9
95.01275	0.7
96.95911	1.1
97.06434	1.2
99.00732	1.0
100.98681	1.5
101.02321	18.2
101.99486	2.9
103.00255	0.8
109.02744	0.7
111.00754	1.0
111.04387	9.0
113.02333	3.4
116.92731	0.9
120.62220	0.5
123.27100	0.5
125.09605	0.7
129.05446	2.1
131.03397	1.6
137.36224	0.5
155.03407	9.0
171.10150	1.5
173.04445	4.3
175.02463	0.6
191.05545	1.7
197.11784	0.6
199.13411	0.8
205.16000	0.6
209.11926	0.9
233.19022	3.1
259.49380	0.6
289.18173	1.7
305.24747	1.0
307.19138	1.8
325.20251	0.7
349.24103	0.6
357.01709	0.8
363.25598	0.6
391.24826	2.1
463.23303	1.1
481.28070	100.0
482.28238	8.4
497.37524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2803
Annotation	Virescenoside O
Peak:m/z	Relative Intensity
50.30939	0.5
50.46142	0.4
55.01749	1.2
56.48983	0.5
57.01719	0.4
57.03317	3.2
59.01245	2.1
67.01746	0.7
69.03333	0.9
69.89061	2.7
71.00909	0.4
71.01254	3.1
72.99181	1.1
73.02812	3.6
75.00734	0.6
78.95784	0.5
83.01253	3.8
85.02817	20.2
87.00748	9.3
93.03310	0.6
95.01260	0.6
96.95878	1.6
97.06477	0.5
98.20387	0.5
99.00750	33.8
100.01062	0.6
101.02287	0.5
104.39867	0.5
111.00758	27.4
112.01138	0.5
113.02299	0.6
117.01823	7.8
118.97749	0.5
125.09665	0.4
131.03421	0.5
161.26071	0.5
170.88219	0.7
173.00803	2.6
191.05499	1.0
199.09717	0.5
233.19051	2.0
244.84001	0.5
251.07201	0.5
305.24570	1.0
349.23846	0.5
375.90994	0.5
375.96457	0.5
421.15411	0.7
453.42627	0.5
471.53000	0.5
481.28021	100.0
482.28342	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	481.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33668	0.4
57.03310	1.3
57.49019	0.4
59.01243	0.6
70.65295	0.9
70.65647	0.9
78.95777	0.6
97.06473	4.6
101.07384	0.4
111.08038	0.7
111.18788	0.4
123.08033	2.5
123.08807	0.4
125.09607	25.2
126.09914	0.6
137.91692	0.4
139.11201	2.8
139.12065	0.5
141.02963	0.4
141.12761	1.1
143.10649	1.3
152.99474	0.7
155.10596	1.0
159.51689	0.5
167.10690	4.9
169.08612	0.5
171.69563	0.5
185.11749	1.0
187.09680	20.9
214.12045	1.0
245.04117	0.6
249.22028	0.9
265.21716	1.1
267.23160	0.6
293.21255	8.5
297.20459	0.6
311.22253	100.0
312.22574	5.9
391.66818	0.4
445.29965	0.6
459.35394	0.5
463.30594	4.3
481.25552	0.6
481.31625	9.2
482.32159	1.3
493.37085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79186	1.9
51.81995	1.7
59.01258	9.7
59.70108	1.5
61.98681	1.9
70.08206	8.2
78.95789	3.0
82.33273	1.8
87.70264	1.7
97.06443	2.1
108.95223	1.7
115.97354	1.9
125.09570	3.5
127.11109	3.4
135.25543	2.0
151.11148	3.4
152.99458	7.0
159.57047	1.8
171.10167	53.8
172.10559	2.0
188.97209	2.0
247.20651	6.5
253.21629	22.4
291.19641	100.0
292.19937	5.7
309.20673	98.0
310.21060	6.3
355.06732	2.0
479.22961	2.9
481.25339	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	483.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36980	0.5
58.02890	0.6
59.01249	100.0
70.13376	2.9
71.01251	1.7
71.22029	0.6
85.02814	0.7
87.00751	0.8
90.45042	0.5
93.03355	1.0
96.95908	0.9
121.02917	0.8
125.09633	0.8
135.08022	3.3
173.04584	0.8
182.02071	0.8
191.05513	4.5
199.09673	1.1
201.11258	0.9
203.07069	0.7
207.87035	0.6
209.11800	1.8
225.11237	0.9
233.08209	1.4
241.62755	0.6
311.10947	0.7
329.23495	2.3
367.69321	0.7
465.19446	1.1
465.32291	1.0
483.33054	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	483.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43707	0.6
50.99335	0.8
59.01247	100.0
61.98716	1.0
69.03336	1.3
71.01242	4.4
72.99179	1.9
73.02801	0.9
78.95824	0.8
83.04902	1.0
85.02834	2.2
87.00748	1.1
93.03318	5.3
97.06459	1.0
99.00788	0.9
101.02336	1.6
105.10062	0.7
107.04881	0.9
109.02878	1.1
111.00766	1.2
111.04420	5.4
121.02848	1.2
125.06041	0.7
125.09582	1.0
135.04388	1.0
147.96175	0.7
150.03180	1.3
152.99510	1.8
155.03482	2.3
159.04474	1.3
171.10147	2.0
173.04500	2.5
173.05893	1.0
182.02180	3.9
187.04164	0.8
188.04684	1.1
191.05527	7.2
199.09712	1.9
201.11320	2.2
203.07036	1.6
209.11847	2.4
225.11212	1.0
233.08203	1.9
291.19821	2.7
309.10507	0.8
309.20880	2.6
323.12982	1.8
324.13681	1.1
327.21951	1.9
337.09720	1.9
342.14841	1.1
368.12799	2.0
465.19156	2.7
483.19971	1.7
483.26321	5.0
483.32437	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74450	2.6
53.78431	2.1
54.63206	2.1
56.97892	2.9
57.03320	3.7
58.99469	2.8
59.01250	9.2
63.02763	2.1
67.46464	2.2
69.03321	2.6
71.01241	5.5
71.58051	4.7
71.58413	2.6
72.99169	2.5
73.02831	2.3
74.02335	11.4
83.04903	3.1
85.01042	5.3
85.02824	3.2
89.98650	2.3
93.03320	4.2
94.61367	2.3
96.95871	3.3
97.03942	19.2
97.06457	9.4
100.00279	99.2
103.83225	2.4
110.00561	2.3
111.01380	5.7
111.04398	3.6
112.02157	2.7
118.96848	2.3
123.01404	2.6
123.08035	6.2
125.05990	3.4
125.09602	34.3
127.11179	4.9
135.08060	4.2
137.09618	7.2
138.92462	2.5
138.93707	2.6
143.04501	5.9
143.84421	2.3
145.03952	4.5
146.04788	2.8
147.05510	4.6
148.11235	5.7
150.03131	2.2
150.12819	3.4
159.05568	2.5
166.06854	3.1
168.08368	3.9
171.10161	26.0
172.06313	2.7
173.04475	6.5
173.07133	2.3
175.05022	4.4
176.05779	5.6
176.10716	3.8
177.10252	2.3
179.11784	8.0
180.08438	33.0
181.08743	2.5
181.13394	3.8
182.02174	4.6
182.10027	15.0
185.07162	3.4
185.11801	3.1
187.09633	14.8
191.05557	9.9
191.11887	5.7
193.09601	5.7
193.13382	21.9
196.08005	3.3
197.11719	4.9
199.09688	52.2
201.11229	12.6
202.11079	4.3
203.11859	13.5
204.41951	2.7
205.13431	30.0
207.10159	4.3
207.14952	10.9
209.11745	9.5
210.09563	7.5
211.09027	10.9
213.11237	10.4
215.12961	12.3
217.13420	21.6
223.09047	26.4
223.10954	3.4
225.06952	2.3
225.10947	5.0
231.11317	10.7
232.12102	9.0
233.08051	2.4
233.12932	22.7
237.10588	11.5
239.12187	5.6
244.12132	3.6
255.08075	4.0
257.08466	8.6
265.11951	4.1
273.78403	2.5
281.09558	3.3
283.11304	3.0
307.19177	4.3
309.10233	5.5
309.20554	5.2
311.10678	20.9
332.22208	3.1
339.16318	22.0
339.20444	4.8
346.18402	4.0
351.20935	3.2
357.21695	8.6
364.19333	10.5
368.12393	4.3
369.21808	20.3
375.22882	36.4
376.23450	3.1
382.20523	24.1
387.22839	100.0
388.23074	10.0
405.23904	38.3
419.21802	9.9
431.21729	11.0
437.22784	9.2
439.22540	3.6
447.24216	3.5
449.22870	8.6
450.23080	2.6
465.20233	8.2
483.21292	40.3
483.32111	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	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.0
58.40995	0.5
58.66908	0.5
59.01239	1.8
67.01750	1.8
69.29528	4.4
69.29934	1.9
71.01254	1.5
72.99175	1.2
85.02823	2.6
87.00758	0.9
92.93800	0.7
93.03323	3.3
96.95892	1.1
98.20481	1.3
99.00800	0.7
100.00261	1.6
101.02304	1.0
105.11792	0.6
111.00756	100.0
111.04384	1.3
112.01065	2.4
116.92734	1.8
125.09583	0.6
154.99750	0.8
160.84065	0.9
171.10214	0.8
173.00841	6.7
173.04482	2.6
191.05524	8.3
194.67871	0.6
195.78302	0.5
201.11208	1.1
207.10170	0.8
209.11893	1.4
253.45551	0.6
265.15356	0.8
271.17282	0.7
295.11060	1.1
309.20584	2.9
375.23349	0.6
383.12778	0.7
387.22885	1.0
483.26080	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	483.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.1
58.14571	0.1
59.01237	0.6
64.61341	0.2
66.80555	0.2
67.01757	2.0
70.45758	0.4
71.01250	0.3
74.02341	0.1
83.01243	0.2
85.02814	1.2
87.00745	10.0
89.23351	0.1
91.55341	0.1
92.73959	0.2
93.03323	0.5
96.95876	0.3
97.06480	0.1
100.00291	0.4
101.02316	0.2
107.66722	0.1
111.00757	100.0
112.01097	1.7
116.92720	0.3
127.03963	0.1
130.99709	0.3
154.99763	0.5
157.05005	0.2
160.84142	0.6
171.10176	0.2
173.00824	7.9
173.04433	0.3
174.01151	0.3
184.99879	0.1
191.05524	4.3
191.91582	0.2
192.05925	0.3
199.13425	0.3
211.13383	0.2
233.12831	0.2
257.53864	0.1
277.11893	0.2
291.19681	1.2
300.41727	0.2
309.20670	2.8
385.51025	0.2
420.29968	0.1
465.19690	0.2
483.22427	1.3
483.27069	0.3
484.22543	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	483.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.6
59.01234	0.4
60.56056	0.2
67.01755	2.0
70.10995	0.7
70.11412	0.3
80.50125	0.2
85.02814	1.2
87.00745	5.7
87.01267	0.4
96.95889	0.3
111.00755	100.0
112.01086	1.6
129.01840	0.3
154.99745	0.5
173.00816	6.5
191.01912	0.2
191.05554	2.2
209.11819	0.3
255.23146	0.5
266.01031	0.2
283.69458	0.2
309.20737	1.2
311.66113	0.2
377.89285	0.2
452.61520	0.2
483.22040	0.4
486.31879	0.2
504.74924	0.2
509.58328	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	483.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34607	0.7
55.01743	0.8
57.03312	2.8
58.04014	0.7
58.36167	0.7
58.97580	0.8
59.01235	3.0
65.03802	1.0
67.01752	0.8
69.03321	1.7
71.01267	3.3
73.02813	16.3
81.03323	3.5
83.01259	1.0
83.04891	15.6
85.02819	5.1
93.03332	69.5
94.03664	1.3
99.00754	7.6
99.04385	2.9
101.02277	0.8
107.97509	0.6
109.02827	15.2
111.00735	2.6
111.04396	100.0
112.04720	2.0
113.09600	2.0
125.09613	2.5
127.11192	0.8
129.01793	4.0
137.02335	11.0
137.09679	0.7
143.03395	2.4
145.58717	0.7
151.11172	1.4
152.99538	0.8
153.01797	1.4
155.03397	18.8
155.10701	1.3
159.04437	1.0
161.05969	1.0
171.10185	3.1
173.04462	84.9
174.04793	2.9
182.02100	1.4
191.05534	2.0
199.09605	1.8
201.11252	12.9
207.10236	1.0
209.11810	2.5
211.13487	0.8
213.11244	5.9
225.11147	0.8
227.12790	1.2
242.22945	0.7
247.20660	1.3
254.45357	0.6
291.19641	15.5
292.19907	1.1
309.20706	22.0
310.21082	1.5
327.21762	20.0
328.22079	1.6
354.44589	0.7
363.14621	1.1
368.12509	1.2
391.50690	0.7
447.23950	0.9
483.25717	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36336	0.9
52.92682	0.7
57.03329	2.0
58.00434	0.8
59.01247	5.7
61.98698	1.3
67.01743	0.9
69.03325	2.4
69.67673	0.8
71.01254	2.9
71.14159	2.4
73.02828	3.4
74.02362	1.1
78.95789	1.3
80.02531	1.2
81.03328	1.5
83.04884	1.8
85.02815	13.5
87.00766	3.1
93.03330	11.6
95.04908	1.0
97.02783	1.9
97.03961	2.6
97.06457	2.1
99.04400	2.8
100.00282	9.4
107.04935	1.2
109.02850	2.0
109.06470	1.3
111.04409	4.3
111.08028	0.8
113.05952	1.0
121.02847	1.0
123.04440	2.3
123.08054	1.5
125.05931	1.9
125.09605	5.3
126.09910	1.0
127.03896	3.3
135.08069	1.6
137.09613	2.0
139.07603	0.9
139.11188	7.4
143.03401	1.6
150.03143	2.5
151.11206	3.6
152.99475	1.3
153.09091	1.6
155.10516	0.9
163.11284	1.1
171.10173	4.7
173.04471	7.0
177.09169	1.1
177.12724	1.7
179.11707	1.4
180.08467	3.2
182.02173	4.7
183.10216	1.7
185.11809	1.9
187.07605	1.4
191.05542	100.0
192.05908	3.1
193.13469	1.8
195.13786	2.1
199.09637	9.5
201.11267	13.4
203.07059	1.0
203.11961	1.2
205.13359	3.9
207.10176	2.2
209.11745	6.1
215.12869	1.1
217.08620	1.2
217.13423	2.5
221.11725	3.4
223.09102	3.0
223.13365	3.3
225.11336	1.3
231.11371	1.8
233.12883	2.0
237.14749	1.0
239.12712	1.9
241.33467	0.9
247.20619	6.1
257.08466	1.1
265.14429	2.9
291.19638	80.5
292.19965	4.4
309.20697	78.8
310.21008	7.1
311.10648	1.5
315.16248	1.2
333.16922	1.3
339.16183	2.3
357.21991	1.0
368.12555	1.9
369.21725	1.6
375.22855	5.2
382.20679	1.3
387.23477	7.8
388.23322	1.3
405.23978	4.3
431.21677	1.1
465.19412	1.4
465.25009	5.9
469.37201	0.9
483.20258	1.9
483.26083	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	483.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04825	0.3
57.03326	1.1
59.01243	2.0
61.98685	0.3
65.83210	0.3
67.01756	0.7
68.73252	0.3
69.03329	0.9
71.01249	1.3
71.57893	0.5
73.02818	0.7
78.95769	0.3
83.04877	0.9
85.02821	11.2
87.00748	2.9
93.03327	4.1
96.78345	0.4
96.95900	0.8
99.04405	0.9
109.02837	1.1
111.00761	8.4
111.04414	1.6
116.92767	0.4
122.80643	0.3
123.07893	0.3
125.09580	0.8
127.03904	2.8
137.02322	0.5
139.11203	0.7
141.09077	0.5
143.03433	0.3
150.39636	0.3
153.01863	0.4
155.03368	0.5
155.10719	0.4
160.84102	1.0
162.78793	0.3
165.12907	0.4
167.10622	0.3
169.08681	0.5
171.02937	0.3
171.10188	0.8
173.00790	0.9
173.04477	2.0
185.11697	2.7
191.05525	100.0
192.05870	3.2
193.05960	0.5
199.09686	0.6
199.13300	0.4
201.11237	0.7
209.11853	0.4
213.11320	1.0
214.12013	0.7
227.12839	0.4
229.10713	2.7
240.13560	0.4
247.09599	0.4
247.20743	0.5
259.09741	0.3
269.06894	0.5
291.19601	4.5
309.20682	42.1
310.21066	3.5
429.22363	0.4
465.24872	4.3
466.24991	0.5
483.26300	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93092	0.3
69.95517	0.7
69.95922	1.1
78.95771	9.3
85.60402	0.3
93.79139	0.3
96.96829	0.8
98.28690	0.3
111.43891	0.3
137.78944	0.3
152.99483	17.5
153.99832	0.4
169.20329	0.3
171.00542	1.4
193.06343	0.3
227.03194	3.3
245.04260	1.2
255.23260	100.0
256.23602	6.5
264.54016	0.3
302.22372	0.4
344.86118	0.3
483.27209	32.2
484.27695	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	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43583	0.4
57.19191	0.3
71.16868	0.6
78.95770	18.8
89.42397	0.3
96.96824	1.1
116.26745	0.4
152.99478	29.6
156.70784	0.5
171.00529	0.9
216.74211	0.4
227.03177	4.6
237.22183	0.5
245.04294	0.8
255.23250	100.0
256.23587	6.2
306.22971	0.4
312.52277	0.4
327.33865	0.4
379.37982	0.4
389.80762	0.4
391.22485	0.6
483.27246	47.6
484.27542	3.9
507.19971	0.4
507.27704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05201	0.8
57.03316	1.1
59.01239	5.8
60.91715	0.9
60.99187	2.0
66.68272	0.9
67.01753	7.1
67.91296	0.8
69.03329	1.0
69.29621	9.6
71.01259	2.2
72.99182	1.8
74.98168	0.9
81.03345	1.3
83.04890	1.1
85.02819	10.6
87.00751	9.5
93.03333	48.7
94.03654	1.3
108.02020	1.4
109.02824	7.7
111.04398	7.0
121.02843	1.6
127.03929	2.3
128.92218	0.9
129.01852	1.3
134.03619	16.3
135.04399	3.6
136.01587	4.6
137.02345	10.0
139.38147	0.7
139.96526	0.9
151.03920	4.7
151.04988	1.0
151.38556	1.0
154.02664	1.1
155.03412	1.9
171.02820	2.0
173.04480	33.6
178.02554	1.7
189.29337	0.9
191.05540	100.0
192.05881	2.4
231.10194	2.0
233.06558	2.1
293.10248	2.9
311.11264	3.2
370.08893	2.4
437.14478	3.3
454.98529	1.0
467.15579	50.1
468.15891	4.1
485.16537	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	485.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47217	0.8
55.01743	0.7
57.03312	0.9
58.00457	1.0
58.05674	0.6
59.01247	25.3
67.01749	2.2
69.03311	1.3
70.92706	1.9
71.01250	25.6
72.99167	2.3
73.02817	7.3
81.03339	1.3
83.01242	2.1
83.04898	1.0
83.76664	0.6
85.02814	15.5
85.99972	1.4
87.00747	11.4
89.02312	8.1
93.03326	19.4
95.01255	2.3
96.95887	1.5
97.02825	1.1
99.00756	1.7
101.02317	15.7
107.19324	0.7
109.02837	1.0
111.00673	0.7
111.04386	2.9
113.02328	8.7
113.03078	1.1
119.03373	4.6
125.02358	0.8
127.03873	1.0
129.01804	1.2
131.03394	5.5
134.03604	1.8
136.01581	0.9
137.02303	1.3
143.03326	0.8
145.07596	1.9
146.04749	1.9
155.03387	1.4
159.02870	1.3
160.06302	8.0
161.04448	6.4
161.07100	77.7
162.07446	2.2
166.05013	1.5
171.02919	0.7
173.04459	15.0
175.04008	1.2
175.07115	1.3
175.08673	27.4
176.04694	7.8
176.08958	0.7
177.09154	2.2
179.05609	1.4
187.08861	3.6
189.06607	95.7
190.06953	3.1
191.05521	87.1
192.05875	2.7
202.06273	0.8
203.08188	20.3
204.08522	0.8
205.08630	8.3
219.10315	0.7
221.06612	8.4
229.09700	2.0
231.10085	3.4
233.08141	2.0
244.48956	0.8
249.11299	3.6
257.08127	5.0
257.60312	0.7
261.06119	2.8
275.09338	1.3
277.11819	0.9
293.10468	1.3
305.11395	10.2
308.84222	0.6
311.11349	1.2
323.12527	2.4
437.14838	0.8
449.14514	2.5
467.15598	13.7
468.16083	1.1
485.17661	100.0
486.18094	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	485.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.6
59.01234	0.8
62.44350	0.2
67.01752	1.9
71.01247	0.8
77.82024	0.2
85.02811	0.9
87.00744	6.8
89.02301	0.4
93.03344	0.5
96.95900	0.4
97.06483	0.3
98.93821	0.2
100.07731	0.2
101.02332	0.5
111.00758	100.0
112.01080	1.6
117.78524	0.2
154.99756	0.4
161.04457	0.4
173.00830	7.8
173.04469	0.4
191.05450	1.1
286.76382	0.2
311.22247	1.2
441.34253	0.3
467.15445	0.4
472.26111	0.2
485.24060	0.8
485.32721	9.6
486.33017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93491	0.2
57.03316	2.1
59.01251	0.5
62.42412	0.2
66.44819	0.2
67.01753	2.0
70.08820	0.9
70.09236	0.5
85.02821	1.2
87.00748	12.3
90.74635	0.2
93.03321	1.2
102.95660	0.2
111.00756	100.0
112.01089	2.7
113.01199	0.6
116.92768	0.4
136.60233	0.2
138.31093	0.2
139.11180	0.2
154.99825	0.3
163.12354	0.2
173.00829	8.8
173.04466	0.7
174.01146	0.4
191.05518	6.7
192.05876	0.3
199.13362	0.3
244.79631	0.2
293.21210	1.8
311.22235	5.6
409.68747	0.3
467.31628	0.6
485.24051	2.9
485.32779	9.7
486.33185	0.5
512.14526	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	485.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.0
66.31611	0.9
67.01762	1.2
68.53503	0.8
71.01245	2.6
71.58525	1.1
79.71052	1.0
81.03305	1.4
83.04881	1.2
85.02814	11.5
85.15431	0.9
87.00764	5.0
92.92714	0.9
93.03332	8.0
96.95909	0.9
97.06478	3.4
99.02921	0.9
99.04404	1.3
109.02877	1.5
111.00755	18.9
111.04375	2.3
112.01122	2.9
113.01189	1.9
116.92745	1.4
127.03905	1.9
129.01822	0.8
139.11200	2.6
141.12698	1.8
155.10626	1.0
167.10663	4.1
173.00783	1.8
173.04453	4.5
185.11772	3.9
191.05534	100.0
192.05940	2.4
214.12093	1.6
218.68925	0.9
229.10707	5.1
262.08023	0.8
275.19931	1.4
293.21246	5.8
311.22266	91.4
312.22626	5.5
439.32120	7.0
467.15533	1.2
467.26373	6.0
485.33118	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	485.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92432	1.1
55.68518	1.2
57.03315	1.7
59.01241	4.1
60.37941	1.1
64.84645	1.1
67.01752	1.3
71.01258	2.0
71.04903	1.2
71.58969	1.9
71.60594	1.0
72.28197	1.0
72.48949	1.1
72.53397	1.3
72.99173	1.5
73.02818	1.8
77.09041	1.1
85.02825	8.5
87.00757	2.6
93.03334	8.0
96.95849	1.5
97.02816	1.3
97.06439	1.8
111.04428	2.2
113.09598	1.5
115.07548	1.7
127.03899	1.8
134.03616	1.4
139.11208	9.6
144.70036	1.1
160.84019	1.3
162.83836	1.9
173.04451	5.2
179.11913	1.5
183.10199	3.0
191.05518	28.1
192.05853	2.5
193.05896	1.6
196.14494	1.2
197.11708	2.9
201.11221	9.3
223.10840	1.9
223.13188	1.8
257.09570	1.8
293.21191	45.6
294.21542	3.3
301.16617	1.6
311.22260	100.0
312.22696	6.4
467.15662	2.7
467.26224	4.9
484.73740	1.3
485.33548	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	485.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.6
57.29057	0.5
59.01251	3.2
61.29689	0.6
69.49557	3.9
70.65715	0.5
93.03354	1.2
96.95873	0.6
98.20576	1.1
109.02782	0.8
171.10173	1.2
173.11720	2.3
191.05484	3.4
191.14265	0.8
196.13141	0.7
250.24529	0.6
279.55444	0.6
298.07437	0.6
309.20715	1.3
329.23294	2.0
366.13806	0.7
391.26358	2.7
405.27887	1.6
407.29489	3.6
409.27515	1.0
421.31076	14.0
422.31503	1.8
423.32715	1.9
425.14618	0.9
439.32120	57.6
440.32404	6.9
467.31946	0.9
485.32709	100.0
486.33099	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	485.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.7
59.71187	0.8
61.98681	0.9
62.32655	0.7
69.85596	2.0
69.86002	3.4
71.01247	2.7
73.02806	3.4
74.26471	0.7
82.53853	0.8
92.92677	2.5
93.03320	1.9
96.95950	1.0
99.92459	1.2
116.91886	1.1
116.92733	21.0
117.01848	1.6
117.92812	1.0
123.08037	1.0
135.08096	1.3
149.09612	0.8
153.09103	2.4
156.89386	1.4
173.04677	0.9
191.05545	3.1
196.53021	0.9
316.15494	0.9
345.98532	1.0
346.72571	0.9
393.31516	2.4
403.30057	1.6
405.31964	0.9
406.28650	6.8
421.31012	11.6
422.31400	1.2
423.32718	13.5
424.33423	1.3
465.30362	5.1
467.31607	100.0
468.31921	10.8
468.37936	1.1
485.32764	64.2
486.33224	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	485.3642
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
50.27976	1.5
52.60944	1.5
53.80777	1.4
55.09836	1.5
71.14737	3.2
78.95776	3.6
97.06451	4.6
107.09550	1.6
122.79357	1.5
152.99486	6.2
153.99734	2.1
191.05608	2.5
255.23184	10.5
256.23587	7.7
257.23920	16.0
353.38876	1.8
372.00623	1.8
389.28049	2.4
391.29962	3.8
405.31314	7.6
407.33157	11.4
437.30508	1.9
439.32040	2.3
441.34085	9.5
451.32147	39.3
452.32373	3.0
453.33746	100.0
454.34293	10.3
471.34549	3.0
485.27405	12.1
485.37082	16.4
497.32538	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	487.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24263	0.9
55.01752	1.3
57.03306	4.7
58.00463	2.3
59.01247	46.1
60.99145	1.9
67.01733	4.6
69.03308	2.7
71.01247	32.2
71.04855	1.2
72.99161	3.8
73.02801	3.7
76.94556	1.0
78.95754	1.6
81.03323	1.9
83.01247	2.6
83.04866	2.2
85.02823	9.1
87.00738	11.6
89.02310	27.1
93.03326	31.1
94.03613	1.9
95.01252	3.3
95.04897	1.9
96.95896	1.3
97.02807	1.7
97.06441	2.3
98.19732	2.2
99.00749	2.7
99.04353	1.4
101.02313	19.3
107.04842	1.5
109.02797	1.8
109.06522	1.2
110.03577	1.2
111.04375	6.0
111.08017	5.3
113.01723	1.0
113.02335	11.1
116.92699	1.4
119.03394	9.4
121.02784	2.0
121.06429	1.4
123.04441	5.4
123.08044	10.6
124.01495	1.8
125.09621	6.6
127.11154	2.6
131.03334	1.4
133.01324	1.3
133.02852	6.8
133.04927	1.5
134.03627	6.9
135.04405	5.3
137.02347	1.5
137.09589	2.6
139.11154	4.7
141.09183	1.1
142.02625	1.4
147.04373	1.2
149.05969	1.5
149.09654	1.8
151.03906	1.5
151.11148	3.3
153.09094	1.7
155.03398	2.2
155.10683	2.5
155.14256	1.9
161.02332	1.2
161.04453	2.5
165.09059	1.4
167.10742	1.4
171.10124	4.8
173.04468	27.6
173.05917	1.7
174.04869	1.2
175.03828	2.3
177.01831	1.8
177.03282	1.6
177.09175	1.5
178.02489	1.6
179.03291	1.1
179.05521	1.8
181.62813	0.9
185.11723	1.7
185.44272	1.1
191.03702	1.6
191.05524	14.7
191.14337	1.7
199.13301	19.5
201.11243	17.8
209.11717	3.0
213.11234	11.1
217.08585	1.3
221.11693	1.7
227.10698	1.2
227.12801	3.6
227.17760	1.2
231.10069	1.4
237.11066	1.2
238.11995	1.4
239.12762	1.1
245.19110	9.7
247.16937	2.5
253.77457	1.1
261.18463	1.3
271.16852	3.8
275.09204	2.0
283.13293	1.3
289.18063	63.5
290.18439	3.9
307.19119	100.0
308.19476	9.8
311.12708	1.7
325.20175	37.7
326.20358	2.2
327.15741	1.8
327.21774	1.9
331.19122	1.1
351.06995	2.1
352.08093	8.1
353.08313	1.5
390.03622	1.7
415.10324	2.3
449.14438	14.6
450.14581	2.4
451.15317	2.2
467.33591	1.2
487.11215	2.5
487.18848	1.9
487.25320	45.9
488.12393	2.1
488.25894	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	487.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33704	1.1
57.03320	5.2
57.68604	1.2
58.00466	1.4
58.27074	1.2
59.01252	15.0
59.25312	1.4
68.88010	0.9
69.03312	1.0
69.31683	11.6
70.06772	0.9
71.01260	8.7
71.04872	1.6
72.99191	1.8
73.02816	2.2
85.02798	2.2
87.00751	5.0
87.25167	1.0
89.02314	6.6
89.55708	1.1
93.03320	7.7
97.06462	3.9
101.02331	4.3
109.06472	1.4
110.03632	1.0
111.04364	1.7
111.08042	10.6
113.02321	3.5
115.00233	1.4
119.03416	1.4
123.08036	2.9
125.09608	20.5
127.07567	1.9
127.11155	5.7
133.02792	1.5
135.08015	1.0
137.09604	7.7
139.03897	1.2
139.07530	1.5
139.11177	1.2
141.09081	2.0
151.11136	5.0
153.09119	2.9
155.10686	3.1
159.04372	1.3
159.93195	1.1
164.08411	1.2
165.09071	2.2
171.10143	10.5
173.04483	6.9
173.05948	1.5
183.13916	1.1
191.03983	1.1
191.05511	6.0
195.10181	3.9
197.11829	1.8
199.09682	2.3
200.64032	1.2
201.11244	45.3
202.11635	1.3
209.11739	8.1
213.11261	37.5
214.11497	1.3
227.12898	1.3
245.19118	3.0
252.13208	1.1
261.18616	1.8
279.19525	2.5
289.18091	14.1
290.18250	1.5
299.45212	1.0
307.19128	43.8
308.19440	3.0
325.20166	100.0
326.20627	6.5
331.19135	2.1
349.20276	3.0
352.08063	2.9
357.14587	2.2
367.21350	2.3
449.14346	5.2
451.14798	1.5
487.25488	77.8
488.25763	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	487.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00027	0.8
57.20014	0.8
59.01242	1.7
60.99193	0.8
61.98684	0.9
69.03320	1.2
71.01252	8.6
71.04890	2.1
71.58984	1.4
73.02822	3.2
78.09518	1.0
96.95885	1.6
99.41942	0.8
150.53673	0.9
178.46283	1.0
229.51079	0.9
233.72313	0.8
303.12170	0.8
307.20288	1.0
373.27499	1.6
377.24969	1.2
393.27914	2.6
411.28952	9.1
426.68930	0.9
429.30093	4.4
469.33344	3.2
487.34305	100.0
488.34570	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	487.3426
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.03329	0.5
59.01256	3.5
71.01246	2.8
83.04864	0.6
87.00738	2.9
93.03322	1.4
95.04897	0.9
97.06464	32.9
98.06778	0.9
98.20518	1.3
99.50401	0.5
101.02330	0.9
109.06483	0.7
112.25969	0.6
113.02340	0.6
115.00258	1.2
115.03934	0.6
121.02827	1.5
125.09602	3.4
133.01271	0.9
133.04947	1.4
135.04419	2.3
135.58311	0.5
159.04385	1.0
171.10153	0.9
173.04512	0.6
173.99472	0.5
187.07608	0.7
187.09705	1.6
191.05518	2.4
200.04703	1.0
200.08211	0.6
201.09050	0.7
202.06319	0.5
209.11592	0.5
214.06293	1.9
215.07063	1.8
225.11319	1.6
227.07146	1.0
228.07823	1.1
229.08690	2.2
230.09320	1.0
291.19989	0.6
306.62811	0.6
307.19113	1.2
309.20834	0.7
371.14954	1.5
381.27975	1.2
390.13205	1.2
423.32748	1.2
439.32156	2.5
441.33740	6.6
442.34067	0.7
457.33664	0.6
487.34286	100.0
488.12921	1.0
488.34680	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50819	0.6
58.00467	1.0
59.01241	1.8
69.43294	3.5
70.84565	0.5
71.01238	0.7
71.04885	0.6
72.99164	0.6
73.02798	0.6
73.39542	0.5
79.37716	0.4
83.04870	0.7
97.06474	2.1
111.02035	0.5
137.09579	0.5
166.88332	0.5
176.01083	0.6
197.44336	0.5
202.31717	0.4
217.00517	0.6
374.25906	1.0
375.26752	0.9
377.28583	0.8
380.34344	0.5
387.30692	1.7
389.28442	9.7
390.28900	0.8
393.31586	0.7
405.31711	3.7
406.28671	1.4
407.33197	3.0
421.31305	2.5
423.32623	5.0
425.34488	2.3
437.30704	2.0
439.28180	0.6
441.33420	0.7
443.31351	1.1
449.30615	1.5
451.32236	7.4
452.32510	1.0
457.33060	0.8
467.31653	8.6
469.33191	60.5
470.33527	7.4
487.34299	100.0
488.34717	11.5
513.32086	10.4
514.32800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.18
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	0.8
59.01248	21.1
67.51988	0.5
68.99689	0.8
69.03311	0.5
69.86588	1.3
69.87017	2.3
71.00882	1.0
71.01254	11.1
72.99171	0.7
73.02835	0.9
74.98967	17.5
84.43768	0.6
85.02821	2.3
87.00740	1.1
88.57280	0.5
89.02312	13.1
95.01260	1.7
98.89948	0.6
101.02325	6.3
111.47779	0.5
111.72712	0.6
113.02332	4.2
118.97971	100.0
119.03376	5.1
119.98282	0.8
120.99555	0.9
122.02389	0.6
155.03337	0.8
179.05475	1.7
191.05563	1.7
204.06764	0.6
213.12732	2.8
247.11559	3.3
291.10599	2.1
309.11694	1.1
471.16913	17.0
472.17230	2.4
489.17969	50.3
490.18347	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	489.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47815	0.9
58.99473	20.5
59.01248	21.4
67.01752	1.2
67.43572	0.8
71.01250	19.6
72.99153	1.7
73.02810	3.3
75.00760	1.0
83.01279	1.5
85.02821	7.3
87.00753	13.1
89.02314	11.1
93.03288	1.2
96.95892	3.2
101.02303	10.4
102.75768	0.9
102.98469	92.7
113.02319	8.2
118.98026	1.1
119.03394	3.1
120.99525	5.2
121.02943	0.9
127.03892	1.7
135.04419	1.0
137.02266	1.3
137.09618	3.1
143.03439	1.5
144.03773	0.9
155.03448	0.9
159.02916	1.1
161.04443	7.7
178.84312	0.8
179.05551	1.9
191.05542	6.7
203.40202	1.0
210.42531	1.0
227.03392	7.2
249.06120	7.3
255.02936	14.1
256.03497	1.4
267.15933	2.4
283.04913	100.0
284.03098	21.1
285.04083	7.2
298.14038	1.0
309.11307	3.0
335.01843	1.0
417.25046	1.2
429.17474	1.2
447.09625	1.0
489.10342	9.4
489.17383	3.6
490.10959	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	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.6
57.03316	4.1
58.00467	1.9
58.02840	3.5
59.01249	76.9
61.98698	1.9
67.01765	1.8
67.14452	0.9
68.99346	1.8
68.99684	17.4
69.03321	9.2
71.01249	57.1
72.99184	5.3
73.02811	15.0
75.00739	3.8
81.03321	1.3
83.01237	12.3
85.02824	21.5
85.99958	0.9
87.00742	4.2
89.02313	29.3
93.03324	3.6
95.01259	12.7
97.02818	3.2
99.00746	6.6
101.02318	100.0
102.01840	4.6
102.02510	1.0
103.03892	2.9
111.04371	1.2
113.02319	24.2
118.04742	1.0
119.03381	11.6
120.99540	1.0
121.02849	2.6
123.04401	13.0
125.02321	4.4
127.03912	2.0
131.03369	1.7
137.02307	2.1
143.03401	4.2
145.04945	1.1
149.02344	2.5
149.04417	1.7
155.03397	33.5
159.02852	3.9
161.04469	20.1
163.05922	2.5
165.05302	1.2
171.10156	2.4
173.04326	1.4
179.05446	4.5
181.04950	2.2
186.75359	1.0
191.05580	5.7
225.07552	6.6
257.06720	1.4
283.11850	38.9
309.09665	4.6
387.12961	4.1
429.17630	55.1
430.17960	4.3
471.15021	7.1
489.16095	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	489.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47966	0.6
57.03326	4.7
58.00430	0.7
59.01249	54.4
67.76699	0.7
69.03316	6.0
70.26274	1.4
70.26640	1.4
71.01255	2.8
73.02824	0.9
76.04430	0.7
78.94405	0.7
83.04883	4.5
85.02814	1.8
87.00746	1.1
87.04352	0.7
89.02322	2.6
97.02789	0.9
101.02303	2.1
102.98461	2.9
108.66480	0.7
111.08010	1.6
113.02336	2.9
119.03418	1.9
123.08004	0.9
133.10117	1.0
135.11707	3.8
137.09641	1.1
155.07036	1.8
161.04485	1.3
179.10672	9.1
191.05632	1.6
197.11754	2.4
267.15994	100.0
268.16299	5.0
283.04922	4.0
284.03314	0.9
285.03946	0.7
309.17245	1.3
470.12872	0.8
489.17670	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	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.0
57.03326	1.5
58.00452	0.9
59.01250	27.0
61.98703	6.7
65.27399	0.4
69.03321	0.9
71.01253	15.0
72.17879	0.5
72.99174	2.2
73.02819	0.9
75.00747	0.7
83.01266	0.8
83.04882	0.7
85.02816	5.1
87.00745	2.2
89.01803	0.9
89.02316	9.9
93.03321	2.4
95.01254	1.3
95.04886	0.6
97.06455	0.8
98.19646	0.9
99.00729	0.6
101.02322	8.2
101.61302	0.5
102.02684	0.6
109.06451	0.8
110.03597	0.6
113.02344	5.3
119.03391	2.4
120.99487	0.9
123.08096	0.6
125.09618	1.5
127.07494	0.7
135.02892	1.9
135.04373	0.7
158.72720	0.5
161.04434	0.6
171.06654	0.6
171.10219	0.8
173.04500	1.6
183.13849	3.3
185.11751	3.4
191.05531	4.4
193.12276	0.7
194.52451	0.6
197.11702	1.8
209.11752	2.0
211.13335	24.1
211.15399	1.2
212.13643	1.0
213.15001	0.5
221.11766	3.8
229.14417	1.7
229.41414	0.6
229.43535	0.6
239.12816	2.2
246.05037	0.6
267.15982	1.0
291.19644	5.7
309.20673	2.1
311.22208	1.8
327.21716	8.5
333.15994	0.6
353.13788	0.6
391.19559	0.5
471.26443	0.7
489.27020	100.0
490.27451	8.3
510.71951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02337	0.4
55.01753	0.7
57.03302	1.5
57.24622	0.4
58.00449	0.4
59.01246	15.4
65.62123	0.4
67.01747	1.2
69.03297	1.5
69.76534	1.7
69.76942	0.9
71.01247	9.8
72.99178	1.8
73.02808	2.6
75.00723	1.7
83.01263	1.4
83.04892	1.1
85.02810	6.0
87.00742	3.7
89.02312	4.5
93.03342	3.8
95.01246	0.7
96.95867	0.5
97.06458	2.4
99.00764	0.8
99.04391	1.3
99.61986	0.4
101.02329	6.2
109.02776	0.6
109.06470	0.6
111.04382	0.7
112.05202	0.6
113.02320	3.4
117.01785	0.8
119.03371	1.9
119.04891	0.5
121.02789	0.4
125.09573	1.5
127.03870	0.5
127.11163	2.1
129.01825	0.6
135.02890	2.8
135.04420	1.3
137.02295	0.5
137.09602	0.6
147.04504	0.6
155.10661	5.2
155.14288	0.7
156.56732	0.5
160.01332	0.5
161.02356	0.5
161.04451	0.8
163.11185	0.5
165.12698	1.2
167.14331	0.9
171.10167	13.9
173.04486	3.3
179.10666	0.7
183.13821	1.7
185.11728	1.4
191.05527	8.4
192.05911	0.9
193.12239	0.7
195.13875	0.6
197.11755	1.5
201.11302	0.5
209.11838	2.3
211.13319	12.0
212.13644	0.6
221.11755	1.1
223.13211	0.6
225.05354	0.5
227.12823	1.0
229.14388	29.7
230.14738	1.0
239.12752	0.6
240.73969	0.6
247.20653	1.0
253.08713	0.6
257.13940	0.6
267.15991	0.7
291.19653	5.5
309.20593	4.7
311.22229	1.9
315.12292	1.1
327.15918	0.7
327.21753	11.9
328.21960	0.8
331.36349	0.5
353.13815	1.1
389.61047	0.5
391.19528	2.9
401.38855	0.6
471.25980	1.1
489.27005	100.0
490.27347	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	489.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17988	12.0
59.01244	64.2
64.37563	12.7
71.01221	14.7
74.29730	14.3
78.95792	20.6
119.15649	14.3
237.18579	15.2
296.17209	12.5
473.43979	13.2
489.36469	100.0
490.28857	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3584
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
59.01249	6.2
71.01285	1.0
71.04879	2.7
71.58769	1.2
73.88698	0.9
75.00690	1.1
87.04407	1.3
95.38312	1.0
96.48334	0.8
96.95903	1.3
111.08051	2.4
125.09626	0.8
131.99049	0.9
137.09622	3.8
139.11195	10.6
145.35925	0.8
152.99542	0.8
173.21245	0.9
175.03961	2.1
175.05353	1.0
407.33075	2.0
411.32867	1.1
413.34647	1.7
427.32074	1.2
443.35248	7.6
444.35608	1.7
445.37262	8.8
446.37399	1.9
471.34778	31.1
472.35193	4.1
484.64261	0.9
489.35852	100.0
490.36295	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	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.4
63.69663	0.5
63.96110	1.4
64.96870	0.9
67.01759	1.3
68.83310	0.6
69.03325	2.2
69.38717	2.9
69.39154	2.1
71.01256	3.2
72.99187	0.9
73.02818	1.0
75.00776	0.6
76.88719	0.6
83.04900	0.7
85.02819	10.3
87.00758	4.6
88.00285	0.9
89.02311	5.1
93.03327	6.4
95.01211	0.8
96.95872	0.6
97.02833	2.3
99.00755	1.0
99.04380	0.8
101.02320	2.4
109.02843	1.3
111.04414	1.4
113.02343	0.7
127.03863	2.9
143.03430	0.7
143.04884	0.6
146.52480	0.6
155.03394	1.6
159.04344	1.1
169.06502	0.5
171.04440	1.6
173.04515	4.0
174.03159	0.6
175.03973	0.6
181.06532	0.9
185.02338	2.0
185.05994	0.8
187.03893	1.3
191.05530	100.0
192.05891	2.5
193.06511	0.8
195.04472	0.8
196.05168	1.4
197.05965	0.8
198.03181	5.2
199.03922	5.0
199.07472	0.6
201.05327	0.8
208.05305	1.1
209.06023	11.9
210.06523	0.9
211.03937	7.2
211.07526	5.6
212.04732	3.4
213.05440	1.5
214.02702	0.7
216.04298	0.9
225.05518	7.5
227.03485	0.7
227.07021	4.3
243.06445	0.6
249.64206	0.7
255.06587	21.9
256.06839	1.0
271.06058	4.7
273.07718	8.5
299.05585	54.9
299.53055	0.6
300.05862	2.9
317.06662	14.2
318.07150	0.9
362.54797	0.6
491.11871	28.3
492.12234	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	491.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08708	0.7
54.92652	0.7
59.01247	8.7
60.00784	0.9
60.99181	0.8
63.96105	1.5
67.01762	2.3
68.69729	0.8
69.03326	3.0
69.82253	1.1
69.82566	4.4
71.01255	7.8
72.99174	3.3
73.02798	1.0
75.00728	1.5
81.03297	1.1
85.02825	9.9
87.00760	7.6
89.02310	3.1
93.03330	24.2
95.01311	0.8
96.95898	0.8
97.02808	3.9
98.19823	0.8
99.00745	1.7
101.02311	6.2
105.01809	2.4
109.02832	2.3
111.04406	4.4
113.02332	1.8
117.97146	0.9
127.03886	2.7
135.04396	1.4
135.98257	5.1
137.02364	1.1
138.01921	1.5
143.04832	0.9
155.03401	2.6
155.04935	0.7
158.03667	1.2
159.04395	3.8
165.07069	0.9
167.08658	0.9
169.06488	1.3
171.02872	0.9
171.04391	1.5
173.02339	1.0
173.02968	0.9
173.04480	12.1
173.05890	1.5
174.03214	1.9
175.03922	0.8
179.05603	0.7
180.28937	0.8
181.06456	1.5
183.04459	1.3
183.08066	1.3
184.05243	0.8
185.02342	3.5
185.05946	2.1
187.03935	2.5
191.05533	100.0
192.05920	2.5
193.06610	1.0
195.04446	2.8
196.05225	1.9
198.03152	6.9
199.03929	5.3
199.07602	1.8
200.04677	1.0
201.05542	2.0
208.05273	1.7
209.06024	17.6
210.06766	2.0
211.04076	8.0
211.07570	27.5
212.04744	7.6
212.07919	1.1
213.05487	3.1
216.04099	2.1
219.03093	0.9
225.05553	9.9
227.03471	2.7
227.07071	6.5
229.05031	4.5
237.05583	1.2
255.06599	30.2
256.06989	1.1
271.06116	5.4
273.07663	23.2
274.08041	2.0
289.07343	1.4
299.05600	88.0
300.05963	4.7
317.06650	38.0
317.10385	1.7
318.07068	1.2
427.07553	0.8
491.11896	55.3
491.17111	2.2
492.12140	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	491.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96111	33.5
68.39897	2.3
71.37852	4.3
72.99171	27.5
73.98193	8.8
75.14084	2.2
117.97192	20.9
134.21745	2.3
135.98259	100.0
167.03389	2.4
274.37637	2.2
279.50058	1.9
310.35986	1.9
350.52240	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	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	4.8
59.01247	75.9
61.98694	2.5
63.94540	2.5
69.03328	3.2
69.85432	16.2
71.01250	31.8
71.04869	3.2
72.99174	6.3
73.02820	9.5
75.00731	5.2
83.01232	2.4
83.04891	2.8
83.44776	2.7
85.02823	15.4
87.00756	10.8
87.03896	5.0
87.04379	42.7
89.02309	25.4
93.03325	16.8
93.75608	2.6
96.95898	2.5
97.06465	5.7
99.04397	3.7
101.02322	23.1
109.02830	2.6
111.04430	4.7
113.02334	11.4
119.03386	9.3
120.99545	7.0
121.02837	2.8
123.04459	3.5
125.09650	2.5
126.05556	2.2
127.03936	3.3
130.57626	2.4
131.03360	4.5
133.01389	2.8
134.03731	2.8
134.06038	4.2
135.04430	13.6
137.02362	6.8
147.04465	3.3
149.02295	4.0
149.04440	3.8
153.12740	25.9
159.04407	3.0
161.02281	3.6
161.04443	3.6
173.04431	14.7
174.01865	6.6
178.02655	2.5
179.03365	5.5
179.10683	7.8
191.05536	100.0
192.05881	8.7
197.11783	26.8
198.12064	2.5
207.17523	3.3
246.89749	2.4
258.14621	2.4
269.17557	75.9
270.17856	2.9
281.16983	2.4
283.13464	3.4
284.90915	2.4
321.08774	7.0
329.06653	3.2
389.21707	3.3
431.22653	4.4
491.29028	21.3
500.14362	3.8
501.15140	23.9
502.15729	5.1
515.03210	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	491.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.9
56.21979	0.5
57.03306	1.4
58.00463	1.1
59.01248	24.2
67.01709	0.5
69.03339	0.6
69.73880	3.7
71.01247	13.9
72.99174	2.4
73.02818	1.9
75.00739	1.1
79.53094	0.5
81.03321	0.6
83.01254	2.0
83.04868	0.5
84.34496	0.5
85.02811	5.9
87.00748	1.6
89.02311	9.4
93.03338	2.8
95.01244	1.1
96.95857	0.7
97.06477	1.0
98.19815	1.0
99.07954	0.6
101.02309	8.6
111.04416	0.9
113.02333	5.5
118.80867	0.5
118.97844	0.5
119.03391	5.9
120.99465	0.6
125.02351	0.7
125.09608	1.2
129.09047	0.6
131.03363	0.8
135.04366	0.9
142.35132	0.5
149.04434	1.4
152.07097	0.6
153.09111	0.6
161.04440	0.7
167.14375	0.6
171.10179	1.7
173.04503	2.8
175.03862	0.7
183.13823	2.2
185.11748	0.7
187.07588	0.7
191.05507	12.6
192.99425	0.5
193.12352	0.7
197.06100	0.9
197.11642	0.7
199.13365	0.8
209.11737	1.4
211.13330	16.9
212.13795	0.9
221.11760	0.6
229.14432	2.1
233.06485	0.6
239.19075	0.5
255.13844	0.9
263.99292	0.6
269.17566	1.0
273.14926	0.6
293.21191	4.6
299.12973	0.7
311.22171	4.2
313.23834	1.1
329.23297	12.8
330.23706	0.8
376.82971	0.6
414.58017	0.6
491.28580	100.0
492.28952	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	491.2857
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01747	0.9
56.21979	0.5
57.03306	1.4
58.00463	1.1
59.01248	24.2
67.01709	0.5
69.03339	0.6
69.73880	3.7
71.01247	13.9
72.99174	2.4
73.02818	1.9
75.00739	1.1
79.53094	0.5
81.03321	0.6
83.01254	2.0
83.04868	0.5
84.34496	0.5
85.02811	5.9
87.00748	1.6
89.02311	9.4
93.03338	2.8
95.01244	1.1
96.95857	0.7
97.06477	1.0
98.19815	1.0
99.07954	0.6
101.02309	8.6
111.04416	0.9
113.02333	5.5
118.80867	0.5
118.97844	0.5
119.03391	5.9
120.99465	0.6
125.02351	0.7
125.09608	1.2
129.09047	0.6
131.03363	0.8
135.04366	0.9
142.35132	0.5
149.04434	1.4
152.07097	0.6
153.09111	0.6
161.04440	0.7
167.14375	0.6
171.10179	1.7
173.04503	2.8
175.03862	0.7
183.13823	2.2
185.11748	0.7
187.07588	0.7
191.05507	12.6
192.99425	0.5
193.12352	0.7
197.06100	0.9
197.11642	0.7
199.13365	0.8
209.11737	1.4
211.13330	16.9
212.13795	0.9
221.11760	0.6
229.14432	2.1
233.06485	0.6
239.19075	0.5
255.13844	0.9
263.99292	0.6
269.17566	1.0
273.14926	0.6
293.21191	4.6
299.12973	0.7
311.22171	4.2
313.23834	1.1
329.23297	12.8
330.23706	0.8
376.82971	0.6
414.58017	0.6
491.28580	100.0
492.28952	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	491.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58437	0.1
53.66457	0.1
55.01739	0.3
56.13980	0.1
57.03303	0.1
58.00476	0.2
59.01247	4.5
68.43782	0.1
69.03311	0.1
69.41158	0.4
69.41586	0.3
71.01252	3.5
72.99181	0.2
73.02812	1.0
74.38121	0.1
78.95763	0.1
83.01254	0.6
85.02821	1.0
87.00758	0.6
89.02311	3.0
91.03899	0.3
95.01253	0.4
96.29319	0.1
96.95850	0.1
97.02816	0.2
99.00743	0.2
101.02315	4.1
102.02644	0.1
103.03865	0.2
108.36903	0.1
111.03616	0.1
113.02328	1.7
115.03890	0.2
118.97363	0.1
119.03390	0.9
121.76625	0.1
130.02728	0.1
131.03395	0.2
133.04953	0.4
143.03389	0.4
145.04936	0.1
149.04489	0.1
152.99507	0.1
157.04951	0.2
161.04453	1.4
179.05476	0.4
194.92572	0.1
199.13322	0.2
233.45183	0.1
235.08194	1.5
237.22142	0.2
244.96652	0.1
253.09256	13.6
254.09505	0.4
255.23247	100.0
256.23584	6.4
256.26373	0.2
291.19635	0.1
309.20633	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	492.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.5
59.18207	0.6
70.92763	1.1
70.93078	0.7
71.01268	0.9
78.95773	100.0
79.12367	0.7
93.03323	3.6
96.96831	7.8
100.58814	0.7
104.65429	0.5
110.52711	0.6
126.97890	0.6
134.03709	0.8
135.04413	1.1
136.04889	0.7
152.99478	18.3
162.70123	0.6
171.00558	20.7
171.10162	1.9
173.04463	1.5
185.11768	0.9
191.05486	2.0
220.36319	0.6
278.34662	0.7
320.60300	0.6
418.23666	1.7
434.41510	0.7
446.21933	0.7
474.25745	1.0
492.27255	72.4
493.27652	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	492.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51413	0.5
54.72791	0.5
59.01252	1.1
59.50513	0.5
59.64843	0.6
61.98670	0.7
69.51302	5.1
78.95771	100.0
79.05935	0.5
96.96835	9.8
114.88007	0.7
129.76228	0.6
135.04384	1.6
136.96902	0.6
152.98457	0.4
152.99472	19.0
171.00540	19.5
179.03381	0.7
209.11781	1.1
409.97879	0.6
418.23471	1.6
492.27289	59.9
493.27371	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	493.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56636	0.5
59.01247	100.0
60.01577	0.7
68.99687	5.7
69.03322	15.0
70.23785	1.1
70.24177	0.9
71.01247	7.8
82.70187	0.5
83.01260	1.2
85.02834	1.7
87.00747	1.0
89.02305	11.4
98.20448	0.6
101.02317	23.6
113.02325	5.1
119.03381	4.6
120.99545	1.9
122.18758	0.6
122.99144	1.7
143.03436	0.7
149.04492	0.6
152.68538	0.5
161.04475	1.0
179.05530	1.4
201.07561	6.3
201.09126	0.5
234.38826	0.5
271.11832	4.0
317.06171	0.6
433.24716	0.7
493.23209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38554	1.5
55.01746	1.9
57.03330	2.4
59.01251	58.8
60.50698	1.2
61.98693	3.4
67.01759	1.4
69.03325	4.4
70.56599	5.1
71.01254	35.6
72.99166	4.1
73.02816	9.8
75.00754	3.3
78.95789	2.4
80.37551	1.2
81.03376	1.7
83.01263	5.7
83.04881	2.9
85.02808	18.0
85.06438	1.5
85.92120	1.5
87.00745	5.5
87.04391	1.9
89.02311	15.5
93.03342	7.1
95.01244	3.3
96.95867	1.3
97.02803	2.7
97.06434	1.6
99.00738	6.1
99.04373	1.6
101.02313	25.9
109.02816	2.2
109.06456	1.4
111.00722	1.3
113.02330	16.9
119.03371	5.8
120.99557	6.3
125.02367	2.0
125.09578	1.5
134.03593	2.2
135.04445	1.9
137.09583	1.5
143.03386	3.3
147.04443	1.4
149.49080	1.3
153.12747	1.6
155.47676	1.4
159.02869	3.0
161.04510	9.7
164.25179	1.3
169.12254	4.5
173.04437	5.8
179.05530	3.8
191.05522	19.4
192.05902	1.8
197.11760	100.0
198.12036	3.4
247.31673	1.3
253.09207	8.7
259.82532	1.4
271.15582	3.9
301.16556	32.0
302.16699	1.6
313.11771	1.7
313.17953	2.3
331.19144	1.9
331.24759	3.4
345.03986	1.6
361.22910	1.2
373.26035	1.7
433.11765	2.0
433.20459	34.8
434.20911	2.3
493.18204	1.3
493.24002	33.0
493.29956	7.4
494.24860	3.2
503.16412	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	493.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	63.7
61.98692	3.0
67.20999	2.7
69.38521	26.7
70.13341	2.4
71.01247	35.3
71.63302	2.5
72.99178	6.5
73.02818	5.5
75.00745	100.0
83.01270	2.8
85.02805	12.4
85.84971	2.8
87.00750	6.6
89.02319	30.6
93.03327	5.5
98.19832	6.1
101.02325	22.4
113.02304	13.0
119.03391	13.3
120.99573	5.6
131.03328	3.9
134.03494	2.6
143.03433	3.4
149.04442	4.8
161.04405	6.0
170.24205	3.2
171.10124	4.4
173.04449	6.7
179.05499	11.1
184.31378	2.7
191.05557	14.8
192.62013	3.0
265.07593	17.9
271.19070	3.4
433.24472	22.6
475.20053	6.7
488.79001	2.8
493.30618	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	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89851	1.9
57.03325	2.3
58.00462	2.6
59.01248	100.0
60.01588	1.8
69.53709	15.1
71.01251	53.0
72.99186	7.2
73.02824	5.2
75.00728	3.4
83.01241	3.5
85.02811	12.3
87.00763	5.3
89.02314	61.7
95.01269	2.3
97.02800	3.0
99.00768	3.1
101.02322	33.2
113.02329	23.5
117.60265	1.9
119.03379	23.0
120.99504	5.6
122.45464	1.8
124.63327	1.7
125.02309	2.3
131.03439	2.3
134.03618	6.5
135.04427	4.3
143.03397	5.9
149.06065	2.6
159.10208	2.9
161.04463	16.7
163.11174	2.1
173.04324	1.9
174.02812	1.9
178.02715	7.6
179.05524	29.2
191.05579	5.5
192.04326	2.1
193.05011	13.2
223.06203	2.5
258.31256	2.0
271.19165	3.3
321.15442	4.7
331.12375	2.8
363.20032	2.6
381.92911	2.3
433.24380	26.4
451.32669	4.3
493.18442	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	493.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77626	0.7
59.01254	5.4
60.83455	0.6
65.03838	0.7
71.01250	2.4
71.58791	0.7
78.95787	1.1
79.05377	0.8
80.02554	0.7
81.03324	2.3
83.04900	5.3
83.32624	0.7
85.02785	1.2
87.00754	0.8
89.02303	2.1
93.03316	2.2
95.04883	1.6
96.95879	1.7
97.06451	1.9
109.06493	0.9
120.16922	0.7
121.02795	0.7
121.06431	1.0
123.08049	2.2
125.09611	5.6
127.11100	0.8
128.29160	0.8
135.08032	1.8
149.09639	3.2
153.09077	0.9
161.09605	0.7
163.11185	4.9
165.12749	2.2
169.82729	0.6
171.10175	56.4
172.10461	1.7
175.11223	1.1
181.12318	0.6
185.11722	1.5
190.75072	0.8
191.05487	2.2
191.10675	0.9
199.16949	3.7
203.14326	2.5
207.10143	1.0
209.11755	100.0
210.12122	3.9
211.13264	1.4
219.13823	1.8
221.11792	1.6
227.12895	3.9
229.12335	1.6
231.10011	0.9
231.13922	1.4
247.13356	20.9
248.13701	1.0
249.14946	2.0
265.14383	5.7
293.17542	1.0
298.15799	0.9
321.16956	1.6
331.19186	5.7
339.18051	0.7
375.21701	2.6
375.25452	2.4
383.22336	2.7
391.24652	0.9
400.50208	0.7
401.23337	5.5
419.24307	2.8
449.25623	1.0
457.25882	2.5
475.26990	13.6
476.27148	1.2
493.28333	15.6
494.28290	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	493.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77357	0.9
57.03315	4.2
59.01249	3.0
77.06646	1.1
84.80778	1.1
107.08589	1.1
111.08026	5.0
137.09564	2.1
139.11180	46.1
155.10617	1.0
160.73724	1.0
167.10675	1.5
183.10187	14.9
201.11244	100.0
202.11594	2.4
291.19666	12.1
309.20682	66.3
310.21133	3.6
475.30603	4.1
493.31625	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48272	0.3
54.92397	0.3
55.74026	0.4
58.00459	0.6
59.01248	12.1
61.98692	2.0
71.01250	8.1
71.58535	0.5
72.99174	1.0
80.04932	1.8
83.01254	0.7
85.02818	1.9
87.00737	0.6
89.01807	0.6
89.02317	6.8
95.01297	0.4
96.03110	0.3
97.58829	0.4
101.01752	0.4
101.02335	3.9
106.06492	0.5
108.04433	11.1
113.02324	2.5
118.35575	0.3
119.03390	3.4
121.05215	1.4
122.05968	1.0
132.04442	0.4
134.05978	0.4
135.04367	0.5
136.07581	17.9
138.05527	0.7
147.03143	1.5
148.03941	0.6
149.04427	0.4
162.05501	5.4
179.03409	0.4
191.05458	0.5
197.07146	0.7
198.07881	1.1
200.05827	0.6
212.09436	0.6
213.06613	2.1
216.06526	0.4
225.10173	0.5
227.04544	0.5
227.08134	0.5
227.11836	1.2
228.08681	0.6
229.09651	1.9
238.07375	2.1
241.06181	1.2
242.06915	1.5
243.11316	1.9
246.11440	0.6
253.09790	4.0
254.10616	0.5
255.11198	0.5
256.08542	2.2
270.10156	1.6
271.10864	100.0
272.11215	6.3
495.16113	5.8
496.16440	0.8
501.22427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60241	0.4
53.25877	0.3
53.34459	0.3
57.03320	0.4
58.00456	0.7
59.01247	18.3
63.96719	0.3
69.55413	2.8
71.01250	10.2
72.99164	1.0
73.02832	0.3
75.99805	0.3
80.04932	1.1
83.01257	0.5
85.02827	2.3
87.00749	0.8
89.02313	7.9
89.02827	0.7
95.01244	0.8
101.02324	4.8
106.06509	0.5
107.64617	0.3
108.04430	8.8
113.02340	3.1
119.03384	3.3
121.05201	0.9
122.05985	1.1
123.03122	0.4
136.07574	15.3
137.07912	0.4
138.05493	1.1
147.03140	1.5
147.05521	0.6
148.03931	0.6
156.27145	0.4
161.04596	0.4
162.05527	5.0
164.07187	0.4
166.05072	0.3
184.11230	0.5
188.07051	0.6
191.05630	0.4
197.07158	0.8
198.07957	0.8
200.05687	0.4
209.11780	1.3
210.07880	0.4
212.09459	0.9
213.06610	2.0
217.07361	0.5
225.10258	0.8
226.85751	0.3
227.08200	0.9
227.11923	1.2
228.08829	0.7
228.10529	0.4
229.09863	1.6
230.08179	0.5
238.07396	1.1
239.08076	0.5
241.06148	1.1
242.06863	1.8
243.11333	2.0
246.11266	0.8
253.09773	4.3
254.10376	0.4
255.07787	0.8
255.11391	0.5
256.08469	1.5
270.10086	1.3
271.10861	100.0
272.11224	5.3
283.54916	0.4
321.98633	0.3
379.12442	0.4
408.16525	0.7
433.16153	1.2
451.17416	1.7
495.15973	5.0
496.16592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52579	0.3
55.01762	0.4
57.03321	0.5
59.01247	100.0
60.01577	0.4
61.98698	2.0
71.01249	5.2
71.07274	1.0
73.02827	0.6
78.95770	1.0
85.02828	1.8
87.00771	0.9
89.02313	3.7
93.03316	0.7
95.01307	0.5
96.95902	1.4
101.02327	3.2
105.01807	0.6
112.98484	0.4
113.02315	1.8
119.03372	1.8
119.84794	0.4
149.04564	0.4
152.99521	0.5
161.04445	0.4
161.51097	0.4
173.04604	0.6
177.05392	0.5
179.05547	0.5
191.05528	4.1
247.64470	0.5
273.15137	1.0
287.20087	0.6
315.19836	0.6
338.44833	0.4
347.07675	0.4
374.63193	0.4
400.80756	0.4
442.46790	0.4
495.25940	8.3
496.26657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.6
59.01237	1.8
61.98719	0.7
69.89763	2.2
69.90183	0.8
81.97561	0.4
83.04888	0.8
93.91763	0.4
95.04944	0.5
96.95875	0.7
97.06469	8.6
98.20525	0.7
109.06490	0.6
121.06428	0.8
123.04415	1.8
123.08044	8.3
125.09607	68.4
126.09946	2.3
139.11160	1.3
142.02634	0.5
143.10704	1.6
146.40112	0.5
151.11169	1.0
155.14302	0.7
158.78485	0.4
169.08638	0.9
171.10260	0.6
178.02664	0.4
187.09673	100.0
188.10023	3.4
191.05511	0.6
199.13330	6.5
200.13840	0.4
201.11226	0.5
209.11806	1.0
211.13307	1.8
213.11295	0.5
227.12888	0.6
238.12021	0.5
245.18974	2.9
271.17075	0.5
289.18094	19.5
290.18451	1.6
307.19131	33.7
308.19565	2.5
325.20038	1.3
424.06842	0.5
495.29333	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	495.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67521	0.7
57.03304	1.3
59.01241	0.8
62.41499	0.7
63.64076	0.7
71.59003	0.7
78.95782	1.3
90.50205	0.7
105.31115	0.7
111.08051	1.2
117.86243	0.8
125.09588	1.0
139.11177	16.8
140.11571	0.7
141.12743	1.5
152.99425	2.0
155.10681	1.8
167.10706	5.0
171.00475	1.0
183.10191	5.0
201.11253	24.1
204.96887	0.7
214.12057	1.0
245.04266	2.6
249.22467	0.8
265.21735	1.1
267.23288	1.8
293.21194	8.7
294.21664	1.0
311.22256	100.0
312.22614	5.5
477.32047	2.6
495.27069	1.3
495.33322	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	497.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42959	4.3
56.05062	4.2
59.01248	100.0
68.99656	7.8
71.01250	44.2
71.58440	5.3
73.02801	9.5
75.00732	6.9
85.02805	15.9
87.00724	8.5
89.02293	20.4
93.03333	35.3
101.02296	26.9
105.03372	4.7
107.04898	7.2
109.02821	9.3
111.04402	6.1
113.02311	12.4
123.04382	23.3
125.09612	5.1
133.02832	11.4
141.05415	14.6
151.03914	21.5
153.05389	7.6
161.04532	4.9
171.10153	20.9
173.04472	6.9
181.05008	8.1
185.51389	5.4
191.05530	29.9
199.05986	6.4
201.11192	8.9
207.10316	4.5
230.07249	4.6
405.10229	6.6
456.56888	5.4
497.22382	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	497.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	66.4
61.00911	6.8
61.56162	8.5
69.42211	63.4
71.01241	51.7
72.99185	52.8
73.02834	8.8
75.00735	14.1
85.02809	36.5
87.00735	13.8
87.78178	8.0
89.02313	43.1
90.01902	10.5
91.00243	100.0
96.95907	19.6
99.04398	9.5
101.02329	24.5
108.67535	7.1
113.02322	25.2
113.05970	8.2
119.03371	10.2
123.04390	28.8
141.05486	30.8
161.02495	8.6
166.04916	10.2
179.05537	11.9
191.05516	33.0
199.99316	6.9
223.88980	8.2
294.53571	7.8
372.09296	21.2
497.17551	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	497.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.7
59.01242	4.1
67.01761	0.5
69.94009	0.4
71.01248	43.0
71.58795	0.5
72.99179	10.8
73.02812	10.9
75.00736	4.3
76.25138	0.4
78.95795	0.5
85.02813	8.5
87.00751	3.2
89.02319	1.0
92.13354	0.4
93.03299	2.6
97.06459	1.1
99.00739	2.9
105.01807	100.0
106.02148	1.6
111.04401	0.8
117.01823	2.1
120.46439	0.5
129.01849	0.7
135.04445	1.6
137.02380	0.5
141.07536	0.5
147.02879	89.0
148.03244	1.4
152.99544	0.5
169.12257	0.7
171.10100	0.8
173.04466	2.7
179.03400	0.5
187.07504	0.5
191.01881	1.2
191.05524	9.6
191.07143	0.9
202.11191	0.4
209.11784	1.1
215.07127	0.7
227.12666	0.6
269.63873	0.5
479.26672	0.5
497.27631	16.3
498.18051	0.6
498.27789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.1
60.52214	0.3
61.98690	0.5
69.24526	3.6
71.01263	1.3
72.99179	82.6
73.02834	0.5
73.99521	0.8
75.00744	26.0
78.95785	0.8
84.44274	0.3
85.02824	0.9
87.00749	4.4
89.02315	1.2
93.03346	0.9
96.57543	0.3
96.95926	0.5
97.06451	0.4
99.00766	2.5
100.13377	0.3
104.18071	0.3
105.01833	0.5
115.00235	0.3
117.01830	8.5
132.48683	0.4
135.02887	100.0
136.03233	1.6
147.02917	1.1
151.11147	0.6
152.99524	0.8
153.09116	0.6
169.12270	0.9
173.00766	0.4
173.04471	0.7
191.01894	13.3
191.05502	2.8
192.05479	0.4
197.11935	0.3
209.11723	0.5
227.13043	0.4
341.08365	0.3
388.52744	0.3
427.99127	0.4
448.12628	0.4
479.26367	0.9
497.27847	12.1
498.27945	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	497.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.4
57.94117	0.6
58.43242	0.6
59.01241	3.4
69.03321	0.7
71.01234	0.6
71.04884	2.3
78.95763	3.6
79.11155	0.6
79.95628	0.5
83.04891	1.0
93.03324	1.1
95.82085	0.6
97.06465	9.7
98.20590	1.3
98.96201	0.6
104.68502	0.5
108.02048	1.6
113.09601	1.0
117.18145	0.5
123.04365	0.7
123.08038	4.4
125.09607	63.2
126.09931	1.1
143.10716	0.9
151.11160	1.3
152.99451	3.5
153.09061	0.6
154.63820	0.6
169.08611	1.7
169.12305	1.0
171.10141	1.1
171.98276	3.4
172.99098	1.0
187.09676	100.0
188.10043	2.3
191.05482	1.4
197.19019	4.3
201.11108	0.9
223.20621	2.1
225.22183	5.9
245.04425	0.8
247.20656	2.4
251.20171	1.2
269.21201	32.1
270.21539	1.8
291.19653	25.1
292.19986	1.5
309.20682	31.9
310.21082	2.0
327.21762	1.3
497.16843	2.6
497.25284	6.3
497.31125	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	499.1455
Annotation	kn-93
Peak:m/z	Relative Intensity
59.01248	2.3
60.99162	2.2
67.01752	9.0
69.70351	8.8
71.00486	1.3
71.01245	5.1
81.03342	1.6
83.04881	1.4
85.02827	4.6
87.00751	14.2
93.03333	60.0
96.95872	5.3
99.00725	2.2
101.02322	1.6
109.02879	1.6
110.55723	1.6
111.04377	7.2
119.04900	26.2
125.19974	1.2
155.03386	2.6
163.03912	16.2
173.04459	19.1
179.03157	1.4
191.05530	84.8
192.05898	2.9
218.55115	1.4
229.09842	1.6
334.04889	1.4
337.09244	13.7
379.10315	2.7
403.07019	1.4
414.93994	1.5
499.14545	100.0
500.14905	7.9
502.27301	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	499.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60964	1.7
57.03331	3.1
59.01249	45.6
60.99199	2.3
63.20167	1.7
67.01762	4.4
69.03338	3.8
70.41138	3.2
70.41521	2.7
71.01257	12.6
73.02814	4.3
75.00746	2.1
75.55436	2.0
78.98382	1.9
79.95607	7.5
80.96385	10.6
81.03345	4.3
83.04884	3.3
83.06678	1.8
85.02815	23.8
87.00734	9.6
88.96223	1.7
89.02315	5.5
93.03328	37.2
94.97960	4.5
95.01214	2.0
95.95108	2.2
96.95881	19.4
97.02779	2.2
99.00768	2.1
101.02306	2.8
107.04907	3.3
108.02082	6.0
109.02830	79.9
109.03594	4.1
111.00780	2.6
111.04398	13.9
113.02344	2.4
118.94926	2.0
121.02862	3.7
122.47672	1.8
123.04417	3.0
125.02345	2.5
127.03891	4.4
129.01848	3.7
133.02853	3.3
134.03636	43.3
135.04449	12.0
136.01561	43.2
137.02356	26.0
148.98994	2.5
149.02345	4.7
150.03149	2.2
151.03899	33.0
155.03397	6.8
164.98531	3.1
165.05495	1.9
173.04465	54.2
191.05528	100.0
192.05875	3.1
193.01323	2.1
195.02940	15.0
209.11761	4.4
211.07585	8.2
211.74457	2.1
225.00804	2.7
231.10342	4.1
233.05856	3.3
233.08228	2.7
277.04822	3.8
293.10312	35.5
325.09473	2.6
325.12881	43.7
337.20044	2.4
370.09003	2.2
381.11868	2.0
435.61465	2.2
437.14484	2.2
438.70520	1.8
467.15521	27.8
468.15961	2.1
478.73956	2.0
499.12405	12.0
499.19177	19.7
499.25485	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	499.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85546	0.4
57.03327	0.9
59.01249	4.3
60.99169	1.2
66.27035	0.3
67.01757	5.4
69.03323	1.4
69.32571	0.3
71.01247	4.2
72.99178	1.1
73.02806	0.7
76.70602	0.3
78.82375	0.4
79.95592	0.4
81.03329	1.4
83.04897	1.9
85.02813	9.3
86.66852	0.4
87.00743	5.8
89.02303	0.9
93.03333	33.8
94.03678	0.4
95.01265	0.4
96.95847	0.6
97.06470	1.0
98.19753	0.9
99.00749	0.9
99.04410	0.6
101.02340	1.1
106.41215	0.3
109.02821	1.9
111.00728	0.6
111.04392	6.1
113.02344	0.9
117.97181	0.4
121.02835	1.7
125.02295	0.4
127.03882	2.2
129.01921	0.4
133.02829	0.5
134.03624	16.0
135.04385	1.3
135.98218	1.0
136.01521	2.0
137.02333	2.4
140.89265	0.4
150.03052	0.5
155.03391	2.3
157.88708	0.4
165.05496	1.0
173.04463	52.1
174.04848	1.2
187.07564	0.7
191.05528	100.0
192.05849	2.8
198.11104	0.4
202.06271	0.5
206.61717	0.4
209.11737	7.6
227.12813	1.9
231.10284	1.8
253.09218	2.5
259.19617	0.5
293.10318	0.8
325.12827	1.4
340.07983	0.5
356.50275	0.4
419.13422	0.5
437.14465	6.4
439.22040	0.9
449.14355	1.4
461.42108	0.4
467.15610	13.9
468.15701	1.2
469.16977	1.2
499.18674	7.7
500.19128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86891	0.2
57.03321	2.6
59.01250	2.8
61.98698	0.5
67.01758	2.1
68.99661	0.3
69.03306	0.2
71.01265	1.1
73.02831	0.3
83.01207	0.4
85.02808	1.6
87.00747	9.2
89.02320	0.3
93.03342	0.9
98.20556	0.5
98.62681	0.2
99.10251	0.2
101.02323	0.4
101.85846	0.2
111.00758	100.0
112.01097	1.8
125.79674	0.3
129.01767	0.5
130.99721	0.2
135.04402	0.5
154.99782	0.4
158.03645	0.4
159.04379	0.2
160.01689	0.2
170.97954	0.3
172.05217	0.6
173.00824	8.7
173.04488	0.8
173.05865	0.2
174.06728	0.3
186.06816	0.7
187.07570	1.4
191.05528	4.3
192.05849	0.3
199.09688	0.3
200.04802	0.4
201.05458	0.9
201.09410	0.5
201.11284	0.7
210.85405	0.3
214.06339	0.7
215.07053	1.6
224.15997	0.2
227.12814	0.3
229.08693	1.5
230.09360	0.3
246.45653	0.3
255.14070	0.3
256.07495	0.4
325.20224	0.6
331.23004	0.3
375.10687	0.2
402.13147	2.3
448.19351	0.3
489.15482	0.3
499.21704	2.0
499.27643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12460	3.3
59.01248	33.7
61.35487	3.2
68.54025	3.7
69.96706	19.1
71.01265	27.6
72.72810	3.2
72.99153	3.4
79.24986	3.4
81.03342	3.3
83.04929	6.1
85.02807	15.4
85.46287	4.3
87.00739	11.2
87.27661	3.1
89.61833	3.3
93.03357	18.5
96.95853	4.5
98.20479	3.9
99.00739	10.9
101.02322	8.3
109.02830	5.0
111.00745	6.8
111.04420	6.4
111.08048	7.5
112.98708	28.4
115.00262	3.8
124.98637	4.5
125.09615	18.4
135.04399	7.5
139.11200	3.7
142.99763	73.0
156.46486	3.6
171.10146	11.5
173.00816	41.0
173.04451	12.6
173.05850	4.1
177.33507	3.4
186.06757	8.8
187.07573	7.8
191.05551	62.3
192.05878	5.4
201.05576	5.1
201.09407	6.5
201.11221	35.4
213.11238	27.6
214.06241	5.1
215.07042	12.9
227.12843	6.9
229.08580	8.2
272.17606	3.7
288.56989	4.2
289.18088	10.6
291.19525	5.6
298.72125	3.5
307.19061	27.9
309.20642	12.1
325.20163	100.0
326.20428	8.8
352.07248	3.8
402.13074	16.0
499.18909	5.1
499.29349	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	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.3
57.03321	0.7
58.00467	0.4
59.01248	6.0
67.01746	0.6
69.03316	0.3
71.01246	4.2
71.04897	0.4
71.58773	0.4
72.99184	0.6
73.02811	2.3
81.03324	0.5
83.01245	0.5
83.04893	0.4
85.02820	12.0
85.61277	0.2
86.03161	0.2
87.00748	3.4
87.04388	0.4
89.02299	1.7
93.03325	5.3
96.95850	0.3
97.06440	0.3
99.00759	0.4
99.04374	0.8
101.02318	3.7
103.03870	1.3
104.79751	0.2
109.02858	1.2
111.00762	0.3
111.04375	1.6
111.08031	0.8
113.02303	0.8
119.03388	0.9
123.07977	0.3
125.02324	0.2
125.09595	1.5
127.03895	2.4
127.11146	0.4
131.03383	0.5
135.04320	0.4
135.08006	0.3
137.02359	0.4
137.09624	0.3
143.03394	0.9
145.05002	0.4
150.78099	0.2
151.11124	0.2
153.09167	0.3
155.03458	0.4
161.04460	0.3
163.06032	2.7
165.12653	0.2
171.02846	0.7
171.10147	1.3
173.04454	2.3
183.10242	0.3
186.06883	0.3
187.07634	0.5
191.05530	100.0
192.05846	2.3
193.05992	0.2
199.09654	0.4
201.05397	0.3
201.09351	0.4
201.11227	3.1
205.07069	1.6
209.11720	0.4
213.11249	1.9
215.07074	0.7
215.09074	0.5
227.12830	1.6
228.13474	0.2
229.08708	0.4
239.00441	0.3
289.18164	0.8
307.19180	1.8
318.48560	0.3
325.20172	7.1
326.20587	0.3
337.09344	0.2
352.76083	0.2
371.14981	0.2
373.98111	0.2
402.13080	0.8
499.18967	0.9
499.25278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
66.92592	1.5
71.59042	1.5
71.59457	1.7
82.40089	1.4
82.46980	1.6
89.55518	1.8
125.39914	1.4
150.80566	1.5
161.02550	1.5
161.41049	1.5
290.78448	1.7
365.27026	9.7
433.49011	1.5
484.44388	1.7
499.30469	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	499.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01586	0.9
69.48206	3.6
83.51061	0.4
94.41325	0.4
107.34835	0.4
108.80952	0.4
108.81669	0.5
199.13382	0.8
264.49829	0.4
365.26947	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	500.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22537	0.8
59.01230	3.6
68.99686	41.9
69.03301	1.5
69.43037	0.7
71.01256	5.1
75.00752	1.0
75.41796	0.8
79.78506	0.8
84.04414	1.1
85.02810	3.0
86.05984	1.8
87.00755	0.9
89.02301	1.6
93.03346	1.8
96.04401	1.1
96.95886	2.1
98.02354	2.9
98.20613	2.1
101.02319	35.9
101.02994	2.0
102.02630	1.0
102.05479	38.3
105.03366	1.0
107.04893	13.2
110.45006	0.8
112.03934	2.2
113.02291	2.0
119.03369	1.4
119.04903	0.8
121.02950	1.2
121.06503	1.2
128.03394	2.2
130.04993	26.5
132.04437	9.0
133.02840	10.9
133.06448	1.6
148.03889	1.7
149.06000	1.1
150.05368	1.0
153.05513	1.8
158.06047	1.1
173.04488	1.4
177.05469	1.6
180.88817	0.8
191.05528	8.0
192.06049	0.9
196.06165	1.9
205.06137	1.5
208.07883	1.3
208.09740	15.4
218.08189	7.2
219.07809	0.9
234.07695	1.3
236.09225	100.0
237.09523	4.2
244.09912	2.1
262.10681	2.3
276.09018	1.3
278.10284	1.8
306.09799	60.1
307.10107	2.8
338.08344	1.4
338.12430	22.0
339.12646	1.7
500.17755	79.5
501.18054	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	501.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.8
58.99472	4.8
59.01262	7.0
61.98685	4.0
70.46170	19.0
74.02339	5.9
78.95769	6.7
97.03947	9.6
97.06476	18.3
97.94534	4.5
100.00272	36.0
116.92757	5.9
125.02911	4.2
131.43787	4.7
135.07956	4.0
137.09654	9.4
139.11209	5.3
150.09103	4.5
152.99567	4.2
153.19243	4.0
165.10216	9.3
179.11835	6.4
180.08450	15.8
191.11789	10.1
194.09967	32.7
195.08432	6.2
197.10063	4.3
205.13329	7.2
221.03893	8.5
223.07962	8.6
231.11281	5.7
233.12999	10.0
237.10632	17.8
241.09010	14.1
287.59515	4.2
312.19736	7.1
323.16858	18.5
325.18494	6.5
330.20767	10.7
337.18390	6.9
357.21875	5.1
364.19559	15.0
369.21802	22.1
375.22836	23.9
378.21091	16.3
387.22855	33.9
403.20837	5.6
419.21689	4.7
421.21594	96.2
422.21738	9.9
465.20609	100.0
466.21198	8.4
501.19681	4.9
501.32379	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	501.262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06742	12.6
52.07001	12.4
59.01239	28.1
71.01237	13.8
71.58357	17.6
72.12940	11.5
77.33565	11.0
77.65511	11.0
96.95896	12.1
107.56649	10.9
127.65877	10.9
168.91309	13.0
191.05511	15.6
457.33234	13.9
501.26706	22.4
501.32550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56397	0.6
59.01247	100.0
60.01561	1.0
70.98537	0.8
70.98882	1.5
71.01247	13.0
72.99189	1.0
73.02812	11.2
83.01263	4.5
85.02847	2.4
87.00759	1.4
89.02312	4.2
95.01260	0.7
96.95876	0.8
99.00772	0.7
101.02325	15.5
101.02992	1.0
113.02323	5.9
119.03404	2.5
131.03394	1.3
134.03661	0.9
135.04454	0.8
143.03391	1.7
149.04489	2.1
161.04462	5.0
161.21138	0.7
179.05415	0.8
189.67465	0.7
191.05530	2.1
221.06682	1.3
229.08438	0.9
235.49512	0.7
305.60007	0.7
308.44232	0.8
399.23874	2.2
425.88821	0.7
449.75180	0.8
501.32443	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	501.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.1
59.01245	9.0
67.01768	0.6
69.03302	0.8
71.01250	2.4
71.04880	0.5
72.99160	0.4
73.02817	1.0
81.03322	0.6
83.04900	0.3
85.02814	10.0
87.00747	2.5
89.02290	0.4
93.03323	4.9
96.95908	0.3
97.06429	0.6
97.11760	0.3
99.00751	0.3
99.04394	0.7
101.02311	0.8
109.02827	1.1
111.00718	0.6
111.04382	1.2
113.02302	0.5
113.09606	1.0
125.09599	1.1
127.03909	2.4
127.11144	0.5
129.01811	0.3
135.02823	0.3
135.04393	0.7
137.09657	0.4
153.09117	0.4
155.03345	0.4
155.10629	0.3
171.02870	0.6
171.10162	2.3
173.04463	1.3
182.02138	0.3
191.05522	100.0
192.05849	2.5
194.64050	0.3
199.09688	0.4
201.11232	5.1
209.11807	0.4
213.11255	2.2
215.07265	0.3
215.09102	1.2
225.11139	0.3
227.12822	1.9
237.98608	0.6
241.04890	0.6
247.20680	0.6
274.05588	0.3
279.16061	0.4
291.19614	0.8
309.20703	2.3
324.09650	0.4
327.21692	11.6
328.21936	0.6
339.12646	0.4
501.25919	0.6
501.32883	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	501.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
61.26583	0.7
71.01254	2.6
72.99213	0.9
73.02818	0.7
78.10098	0.6
85.02792	1.5
87.00780	1.0
89.02325	1.6
93.03343	1.4
95.01234	0.8
96.95940	0.9
97.06435	1.0
101.02314	1.8
107.04925	0.9
107.85600	0.7
111.00757	1.8
113.02322	1.1
116.96539	0.6
118.79044	0.7
128.96194	0.7
135.04494	0.9
141.22545	0.6
155.10611	1.1
161.04474	0.8
173.04510	1.0
182.02138	0.6
191.05547	7.3
229.61383	0.7
243.13919	0.8
275.10992	0.6
277.32840	0.7
303.16068	2.9
309.20850	1.0
311.41125	0.7
327.21918	1.3
381.22903	1.2
399.23941	1.2
466.63623	0.7
501.31793	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	501.3217
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
56.09478	1.3
59.01228	2.4
60.69579	1.1
71.58905	2.0
71.59290	1.2
78.95742	1.2
86.04932	1.1
152.99469	1.4
187.11148	2.0
189.12730	8.3
190.99634	1.2
204.29715	1.3
205.15903	31.3
206.16145	1.3
249.14902	8.3
253.17955	1.3
265.21674	3.6
395.90897	1.6
397.30960	4.2
413.34186	3.7
457.33200	10.3
476.23871	1.5
501.32169	100.0
502.32565	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	502.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.8
57.03315	1.6
59.01247	48.2
60.99139	1.0
61.98697	1.8
67.01757	2.6
69.03317	2.5
71.01248	34.2
71.58868	0.8
71.59246	1.0
72.99175	3.2
73.02798	4.3
75.00755	1.8
81.03323	20.5
83.01260	3.1
83.04891	56.8
84.00839	1.1
84.05251	1.8
85.02819	9.6
86.02332	2.6
87.00758	6.9
89.02312	23.3
93.03336	20.6
95.01273	2.3
97.06458	1.5
99.00756	1.0
99.04376	1.1
101.02319	18.8
101.44929	0.8
103.98123	0.8
111.04399	3.7
113.02332	10.3
114.38475	1.0
115.00238	1.5
119.03394	8.1
119.04996	1.3
120.99540	1.3
121.02840	0.9
125.02291	1.4
127.03927	2.5
131.03381	2.6
133.02824	4.1
134.03601	2.0
135.04398	1.8
137.02357	1.6
139.07552	4.0
142.08655	3.5
143.03398	1.3
145.04967	5.2
149.04445	2.6
155.03383	1.4
157.08614	1.2
161.02322	1.0
161.04477	2.5
163.03880	1.0
170.08153	3.6
173.04485	16.5
175.02438	1.4
179.03429	1.0
179.05510	2.8
181.12267	8.6
188.09178	12.1
191.05540	10.0
193.06500	4.1
194.06834	2.4
194.16939	1.0
199.13396	1.6
202.43837	1.1
209.06094	1.0
216.07791	1.0
224.12952	1.7
275.09201	1.1
310.10196	0.9
322.20197	2.0
332.13565	2.2
340.21323	1.9
350.14563	24.7
352.07996	2.2
360.76248	0.9
384.38217	1.0
404.19296	3.6
449.14499	13.6
467.15210	5.8
484.25562	7.2
485.12173	2.7
502.26550	100.0
503.13266	2.0
503.26669	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	502.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20449	0.7
55.01730	1.0
57.03327	0.8
58.00450	2.2
59.01247	41.9
67.01749	1.9
69.03318	1.3
69.62159	0.8
69.71494	1.6
69.71918	2.6
71.01246	26.3
72.99172	2.5
73.02809	2.6
81.03325	20.8
83.01241	1.8
83.04889	64.5
84.05224	1.2
84.64075	0.6
85.02814	7.0
86.02332	3.0
87.00745	3.7
89.01748	1.1
89.02307	21.6
93.03329	9.5
95.01263	1.4
99.00748	1.0
101.02317	16.0
101.05943	1.1
109.02757	0.8
111.04415	1.3
113.02315	9.7
115.07499	0.7
119.03371	8.9
127.03861	2.7
129.01834	0.9
131.03354	1.0
133.02823	2.3
134.03619	0.8
135.04364	1.6
142.08618	4.1
143.03403	0.9
144.10213	1.2
145.04970	4.9
149.04475	1.5
152.96846	0.7
161.04469	1.6
162.03188	0.7
164.03758	0.7
170.08145	3.4
173.04449	8.0
176.24536	0.7
177.01923	0.9
178.12192	0.7
179.05492	2.6
181.12242	5.7
188.09181	17.0
191.05482	4.2
194.08104	1.8
194.15417	1.9
199.13362	0.9
223.13329	38.9
224.12811	1.1
225.08865	0.7
234.18739	0.7
235.08109	0.9
253.09184	3.4
267.12277	0.9
272.63248	0.7
304.19183	0.8
322.20245	2.6
332.13208	1.4
350.14523	30.6
351.14819	1.8
352.08051	1.3
404.19116	1.9
449.14468	9.0
467.15454	2.8
484.25623	7.2
485.11935	1.7
485.25623	0.9
502.26523	100.0
503.13025	1.8
503.21179	13.0
503.27032	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	503.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42531	0.4
65.90125	0.5
71.44517	0.5
71.44866	0.7
71.87820	0.5
74.18396	0.4
86.85570	0.5
134.03645	1.9
135.04411	77.5
136.04742	1.2
144.75690	0.4
179.03410	100.0
180.03790	2.5
185.02312	0.5
320.75400	0.7
341.08740	48.3
342.09085	1.7
351.67838	0.5
503.14325	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	503.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07423	1.1
55.01754	1.5
57.03308	1.5
58.00453	4.2
59.01246	100.0
68.99689	6.4
69.03323	66.4
69.42645	5.3
69.43078	5.1
71.01248	73.2
71.01656	1.9
72.99171	8.9
75.00754	2.4
83.01244	3.2
85.02814	13.3
87.00746	4.5
88.12643	1.0
89.02313	84.8
90.02639	1.8
93.03300	1.7
95.01247	4.9
96.95894	6.9
99.00774	1.3
101.02311	37.6
111.00681	1.3
113.02322	26.3
118.97972	2.4
119.03381	32.6
120.99616	2.6
131.03339	3.1
140.94736	1.2
143.03372	4.6
149.04395	2.0
159.05533	89.4
160.05835	2.4
161.04442	4.1
172.03894	1.4
173.04524	1.5
179.05557	12.0
191.03938	1.4
191.05548	8.3
195.05383	1.4
211.05060	2.8
221.07057	1.9
239.08151	3.9
245.07047	1.3
247.08655	2.9
248.06078	1.3
263.08185	4.7
281.09341	1.2
291.07709	31.2
292.07965	2.9
323.10321	12.3
341.06601	1.4
387.04114	1.2
503.24792	3.5
504.27634	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	503.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.1
66.29358	0.5
67.01759	20.1
68.99694	4.4
69.03333	3.9
69.78466	1.8
69.78906	1.7
71.01247	10.1
71.04884	6.7
85.02827	2.0
87.00739	0.5
87.04405	1.3
89.02322	5.0
95.01263	16.0
95.04893	2.8
96.95948	0.6
97.02834	1.4
98.19879	1.1
99.04391	1.7
101.02317	9.2
112.01509	1.1
113.02316	2.3
115.03873	1.4
119.03423	1.4
121.02851	4.8
123.00813	0.8
123.04410	16.0
127.03902	100.0
128.04233	2.2
133.04951	1.5
134.24391	0.5
147.04431	0.8
149.02347	11.2
149.05998	1.8
151.03937	1.1
155.03403	61.6
156.03795	1.6
157.04964	1.1
159.06552	4.3
163.07559	0.7
165.05486	0.6
175.03917	0.9
191.05542	1.5
193.05000	5.2
195.06544	0.9
203.66055	0.6
239.09235	2.1
245.11818	1.0
271.08237	17.6
272.08795	0.8
309.09793	7.6
310.10095	0.8
314.53528	0.6
323.11392	3.6
341.12408	0.7
417.26334	0.5
425.18097	2.3
471.15109	1.9
503.17682	87.8
504.18033	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	503.1794
Annotation	tetranaphthylene
Peak:m/z	Relative Intensity
56.06017	0.8
59.01244	4.2
60.57845	0.7
66.66766	0.9
69.24290	9.4
71.01247	2.4
78.95779	7.1
79.95615	2.6
85.02819	1.4
87.00774	1.1
89.02332	1.7
96.95884	100.0
96.96799	13.1
98.02351	13.8
101.02338	1.5
110.02443	0.8
113.02302	1.2
126.76301	0.9
149.05978	0.8
179.03641	0.9
191.05533	1.8
223.87610	0.8
242.85930	0.8
253.08566	1.1
276.90338	1.0
327.91290	0.9
486.54379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.3
55.35259	0.3
57.03305	1.1
59.01248	11.8
60.99170	0.7
67.01752	2.0
69.03311	0.7
69.39787	3.1
71.01253	9.3
72.99178	1.0
73.02824	2.0
75.00726	0.3
81.03339	2.9
82.03696	0.5
82.21036	0.3
83.01266	1.2
83.04893	6.3
84.05230	1.1
85.02812	3.3
86.02375	0.5
87.00755	3.9
89.02309	5.8
90.02695	0.4
93.03333	13.0
94.03616	0.4
95.01252	0.5
96.95865	0.4
97.02826	0.7
97.06491	0.5
99.00744	1.2
99.04387	0.4
101.02317	6.4
103.03857	0.4
104.77309	0.4
109.02850	0.4
111.04393	2.4
113.02322	3.3
114.02629	0.5
115.03851	0.8
117.97188	0.4
119.03384	2.2
124.01521	0.5
125.02362	0.4
127.03857	0.4
129.01837	0.4
129.59300	0.4
131.03387	1.0
133.02838	2.4
133.04974	0.7
134.03606	1.3
135.04404	1.2
137.02327	0.4
144.28348	0.3
145.04961	0.5
147.98885	0.4
149.04440	1.4
155.03415	0.7
159.04451	0.4
161.04497	1.6
170.08066	0.4
171.18901	0.4
173.04482	10.4
174.03201	0.4
174.04771	0.5
175.02348	0.6
177.01830	0.4
178.02562	0.5
179.03398	1.0
179.05511	0.6
179.14407	0.4
181.12299	0.9
188.09271	1.9
191.05519	4.5
205.12242	0.6
223.13338	100.0
224.13698	4.8
235.08182	1.4
253.09247	7.1
267.12387	1.9
275.09216	0.4
279.67853	0.4
294.97488	0.4
322.64496	0.4
350.14505	2.0
351.14774	1.9
352.07965	1.9
371.20746	0.8
373.09454	0.5
413.16367	0.6
449.14505	8.7
450.15063	1.0
463.88690	0.4
467.15680	2.7
472.54315	0.4
485.12289	2.3
485.25836	0.7
502.26440	1.2
503.13254	1.8
503.21332	32.0
503.27179	7.7
504.21021	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	503.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39787	0.4
55.01778	0.6
57.03318	2.0
58.00498	0.7
59.01247	13.4
60.99200	0.9
67.01797	1.7
69.03355	0.6
71.01247	11.5
71.58974	0.5
72.99209	1.1
73.02814	2.1
75.00815	0.5
81.03378	0.9
83.01301	1.3
83.04906	0.8
84.01348	0.4
84.95023	0.7
85.02813	3.8
87.00747	4.2
89.02317	8.1
89.02798	0.5
93.03329	13.1
95.01289	0.4
97.02852	0.4
97.06456	0.6
99.00791	1.3
101.02317	7.9
103.03926	0.6
109.02854	0.6
111.00789	0.5
111.04398	2.2
113.02338	3.9
119.03425	1.9
119.68193	0.4
125.02324	0.8
129.01894	0.6
131.03444	1.7
133.02869	2.5
133.05016	0.7
134.03651	1.5
135.04451	1.6
137.02385	0.9
139.03891	0.4
143.03407	0.9
149.04460	1.1
155.03423	1.0
161.04472	2.7
161.05644	0.4
163.11186	0.5
173.04459	10.8
175.02501	0.6
177.01845	0.9
178.02560	0.9
179.05577	1.1
191.05542	8.6
205.12270	1.2
208.99481	1.5
209.05803	0.5
219.72876	0.5
223.13330	100.0
224.13640	3.7
235.05792	1.2
235.08212	1.6
246.37267	0.4
249.11057	0.7
249.24554	0.5
253.09274	11.7
267.12308	1.2
275.09164	0.5
287.98938	0.5
328.83112	0.4
329.08072	0.5
352.08026	1.1
371.20474	1.6
406.12222	0.6
413.16037	0.5
417.11664	0.4
449.08569	0.6
449.14435	8.5
450.14282	0.9
467.15671	3.0
485.11981	1.2
503.20981	34.7
504.21619	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	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98712	4.9
52.53627	4.9
58.30773	4.2
59.01251	90.9
60.99178	6.9
65.37550	4.6
65.88125	4.2
67.01760	8.3
69.03320	17.7
69.66416	30.9
71.01251	33.8
72.99175	6.9
73.02801	7.0
81.03343	7.8
83.01225	5.0
83.04893	8.5
85.02819	12.7
87.00758	22.3
89.02328	19.7
93.03325	100.0
96.95880	14.8
97.02864	5.0
97.06454	10.1
98.20544	5.0
99.00785	9.3
101.02321	24.5
110.03090	4.4
111.00768	7.6
111.04416	20.4
113.02341	10.5
115.00266	4.8
115.07646	4.4
129.01816	6.8
133.02841	20.6
134.03595	13.0
135.04384	10.6
137.02367	8.8
139.07530	9.4
149.04509	8.2
155.03423	7.2
158.11742	6.0
173.04437	86.0
178.02565	6.6
185.00838	7.0
191.05531	75.8
226.17693	5.5
241.14334	4.9
249.15132	6.2
275.09351	6.7
283.13516	5.9
329.07867	7.9
341.04782	5.1
352.07938	14.0
353.13852	6.8
378.40918	4.9
449.14508	67.1
450.14709	11.2
455.91037	4.4
459.34698	14.1
461.11938	6.1
467.15579	14.5
468.05371	4.9
485.12015	9.0
503.12869	11.7
503.26752	45.1
503.33511	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	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.3
57.37877	3.2
59.01249	100.0
60.99161	3.6
67.01751	14.1
69.03307	18.0
69.65831	9.5
69.66259	15.0
71.01264	33.6
72.99178	5.1
73.02828	9.3
75.00749	4.1
80.35838	3.2
81.03323	5.2
83.01228	4.7
83.04887	12.7
85.02820	21.9
86.02357	3.2
87.00301	3.6
87.00742	22.5
89.02308	20.3
93.03333	82.4
94.03674	3.2
96.95895	13.6
97.02801	6.0
97.06490	11.5
99.00761	4.1
101.02322	26.6
109.02822	4.4
111.04372	15.8
113.02312	14.1
119.03358	4.2
125.02302	3.7
129.01842	3.7
131.03365	5.7
133.02829	16.9
134.03629	8.4
135.04395	8.2
137.02344	6.4
139.03983	4.1
139.07503	4.4
140.07855	4.3
149.04495	8.1
155.03401	5.8
158.11855	4.1
161.04456	8.4
173.04460	89.9
175.02518	3.8
177.01797	4.6
178.02626	4.5
179.03455	4.7
179.05399	3.8
185.00893	7.0
191.05510	76.5
203.01859	5.7
249.14986	6.2
260.48514	4.0
270.50113	3.5
275.09195	7.0
283.13229	3.7
329.07947	6.6
352.07919	9.9
449.14532	60.4
450.14951	6.5
459.34900	17.0
467.15500	25.2
485.11920	5.4
503.13336	10.4
503.27118	50.5
503.34006	7.5
504.26721	4.0
516.65015	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	503.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97531	5.9
59.01255	36.3
71.01255	16.5
73.02821	7.9
85.02825	18.0
89.02306	9.2
93.03338	10.3
96.95863	9.4
97.06425	6.4
99.00754	11.3
101.02351	7.0
109.02901	7.7
125.11311	6.1
135.04407	13.1
137.02332	8.3
141.09113	7.1
146.25273	5.7
153.21828	5.6
163.11159	6.7
173.04506	15.6
173.05971	8.6
174.03133	6.6
191.05544	44.9
203.06891	7.2
206.80301	6.3
208.26364	6.1
211.13321	8.4
215.07047	7.4
217.10693	6.9
423.21823	6.9
457.33118	14.2
503.26883	8.7
503.34250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76700	0.7
55.01760	0.8
57.03320	5.0
59.01248	4.3
61.73174	0.7
64.96497	0.7
69.03315	2.4
71.01243	3.3
71.58539	0.9
73.51788	0.7
75.00729	1.7
80.02560	1.9
81.03314	1.3
83.04903	6.3
84.02049	0.8
85.02813	2.2
85.46273	0.7
87.00727	2.0
89.02326	1.2
93.03326	3.5
95.04881	2.4
97.06467	11.1
99.00755	0.8
101.02316	1.5
105.36739	0.8
107.04871	1.5
107.43350	0.7
109.06472	15.7
111.04420	1.1
113.02319	1.4
123.08031	7.7
125.09608	100.0
126.09930	2.0
131.03337	0.9
132.60017	0.8
133.02834	2.5
135.04395	1.3
149.04404	1.0
159.04436	1.2
163.11156	2.6
165.12749	2.1
169.08594	3.2
171.10204	1.0
172.05054	0.9
173.04533	1.8
173.05984	3.0
174.03198	0.8
175.03816	1.5
175.07594	1.7
185.05907	1.3
186.06818	1.3
187.03902	1.0
187.07648	4.0
187.09665	58.2
188.08450	1.0
188.10036	2.5
189.09070	1.3
191.05522	6.1
191.10680	1.3
199.07680	0.8
200.04730	0.9
200.08310	1.5
201.05455	3.0
201.09117	2.3
202.06296	1.5
203.07028	3.1
204.07521	0.9
209.11760	86.5
210.12114	3.7
211.13301	2.1
213.05481	1.0
213.09055	0.9
214.06241	2.2
215.07162	3.8
216.07852	1.5
225.11417	0.9
227.12837	21.5
228.07870	1.0
228.13037	0.9
229.08662	4.3
230.09264	1.3
231.10068	1.1
243.10222	1.3
243.12340	6.5
251.30661	0.7
253.08704	1.0
256.07297	0.8
257.08133	2.1
261.13409	31.4
262.13800	1.9
271.09637	1.1
285.11032	1.0
289.21713	1.0
310.26254	1.0
315.08640	1.9
315.86633	0.8
316.09155	1.2
329.24899	4.6
351.07111	2.3
357.23557	1.1
357.27927	4.2
383.25986	1.5
401.26953	9.4
406.12747	4.9
413.15881	1.3
445.25943	3.4
453.24985	5.8
459.30807	4.4
471.25916	34.6
472.26279	3.2
503.29758	20.7
504.30399	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48462	0.6
57.03305	2.5
58.00461	1.6
59.01249	28.7
60.99158	2.0
67.01752	5.6
69.03311	2.6
71.01250	21.2
71.58572	0.8
71.58970	0.7
72.37939	0.5
72.99165	2.3
73.02801	2.3
75.00733	1.7
81.03316	0.7
83.01252	1.8
83.04885	1.5
85.02820	10.1
87.00742	9.5
89.02311	9.2
93.03331	33.1
94.03667	1.0
95.01250	0.9
97.02803	0.8
97.06445	2.8
99.00745	1.7
101.02321	10.9
102.98425	0.7
109.02817	1.2
111.00726	2.0
111.04393	6.1
113.02317	6.0
115.00227	2.5
119.03411	3.3
119.04903	0.7
119.08543	0.6
121.02815	0.6
121.10110	1.7
124.01423	0.8
125.02357	0.8
125.09618	3.7
127.03840	0.7
131.03348	1.1
133.02856	5.0
134.03604	2.1
135.04422	3.7
137.02318	1.5
137.09554	0.7
147.04391	0.7
149.04443	2.5
151.03825	0.7
153.01897	0.7
155.03416	1.2
161.02312	1.5
161.05800	0.9
163.03906	1.0
171.10127	1.6
172.05156	0.9
173.04463	27.4
173.05853	1.1
175.02354	3.0
175.03819	1.2
177.01704	0.8
177.03172	1.0
178.02541	1.2
179.03372	0.9
179.05478	1.2
180.04050	0.7
185.11723	5.1
187.07529	1.9
189.05489	0.7
191.05524	29.0
192.04131	0.8
192.05856	1.3
193.12251	1.5
197.11723	2.0
199.04022	1.1
201.05484	1.5
202.06346	0.6
203.06937	1.1
203.10648	0.9
207.10173	1.2
209.11694	2.8
211.03928	0.9
211.11458	1.1
211.13332	16.8
213.05504	0.6
214.06317	1.2
215.07025	1.4
216.07899	0.9
224.46564	0.6
225.11292	0.7
225.14925	4.2
227.03395	1.4
227.07104	0.9
229.04956	0.8
229.08582	1.4
230.09152	0.8
231.10135	0.8
243.06538	0.7
243.10152	0.7
253.14259	1.1
257.08087	1.1
259.02530	0.7
271.09589	1.0
272.09772	0.8
273.18765	0.7
275.09045	1.0
281.10263	1.4
283.13333	3.0
291.19644	13.6
309.14624	1.1
323.22223	0.6
327.15863	1.1
329.23218	0.7
341.23239	9.3
345.17023	1.0
352.08029	5.1
353.13763	1.6
371.14859	1.4
373.09293	0.9
399.14587	1.9
406.12534	1.7
413.16068	1.9
415.10126	1.9
449.14542	20.6
450.14627	2.0
467.15579	4.7
485.12186	8.0
486.12262	1.3
503.13391	3.7
503.28491	100.0
504.20917	3.0
504.28802	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	504.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84800	1.3
59.01248	100.0
67.01734	1.6
68.01296	3.0
68.99672	5.1
69.37857	5.6
69.38278	7.3
71.00880	2.3
71.01250	25.9
72.04408	1.6
73.02789	1.6
74.02339	16.2
75.00737	5.4
85.02792	6.5
87.00745	4.7
89.02310	31.5
93.02750	3.2
93.03329	47.1
95.01250	3.8
96.95883	3.2
97.06481	1.6
98.02351	10.0
98.20573	2.7
99.00803	1.3
100.83270	1.4
101.02317	29.3
105.03328	3.5
108.00742	2.3
113.02316	10.4
115.03866	3.8
116.03419	23.7
116.07040	1.6
116.72211	1.5
117.01805	1.7
118.97941	4.0
119.03362	9.3
120.99525	1.6
121.02839	1.3
123.04402	62.2
124.04733	2.0
127.03914	1.8
131.03418	1.5
135.04466	1.9
135.08020	2.5
137.30435	1.2
140.03423	38.9
143.03357	3.3
143.06358	1.4
143.51767	1.2
149.04463	1.6
153.09090	1.9
155.03380	4.7
157.02499	1.3
161.04431	3.3
163.16843	1.3
171.71243	1.2
179.05511	15.5
180.06625	1.5
191.03908	2.5
191.05544	27.6
192.05881	8.9
197.08081	3.7
225.07597	1.4
236.40587	1.4
244.63210	1.3
264.08859	7.6
282.09775	7.0
354.08987	1.8
504.15756	1.9
505.19269	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	504.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
67.01085	3.4
68.99685	10.0
69.03307	4.6
71.01258	27.6
71.58980	3.8
72.04397	3.7
73.02806	4.6
74.02354	14.7
75.00755	4.7
85.02814	6.3
86.44602	3.7
86.51550	3.3
89.02312	34.0
93.03329	47.8
95.01253	8.6
96.95902	9.4
98.02351	40.3
100.07420	3.3
101.02324	36.3
113.02309	9.4
116.03412	35.8
119.03402	14.2
120.99553	10.7
123.04398	69.3
127.03909	9.4
130.35529	3.6
137.71260	3.2
140.03426	31.7
143.03357	6.4
146.14142	4.0
148.97214	3.3
155.03424	20.7
161.04465	7.1
179.05475	18.8
191.05515	16.2
196.46521	3.4
231.97081	3.3
232.05911	4.1
242.52542	3.8
264.08670	6.2
282.09790	4.8
295.40891	4.4
505.16132	12.1
529.86316	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	505.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
71.01234	0.4
75.01656	0.3
82.33003	0.3
84.20470	0.3
88.22683	0.3
91.19331	0.3
96.95897	1.3
121.02833	100.0
122.03143	2.9
122.03771	0.3
123.09213	0.3
128.14450	0.3
132.73666	0.3
150.06735	0.4
152.91496	0.4
160.84140	0.7
162.06802	0.6
162.83810	0.4
177.09055	0.4
180.05740	0.7
181.06499	4.0
182.06763	0.4
182.55307	0.3
195.64517	0.3
197.06012	2.7
207.04381	0.9
207.08034	0.6
214.13327	0.3
223.04034	0.4
225.05527	2.7
257.09793	0.9
313.07083	5.2
327.21793	0.8
357.06317	0.8
373.10800	0.8
383.07623	0.9
405.21252	0.4
417.09708	10.3
418.10187	0.8
433.09430	0.6
461.12463	0.7
505.11313	7.5
505.34814	1.3
506.12003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24935	0.7
59.01247	2.0
70.03578	1.8
70.03976	2.1
71.01256	4.2
72.97408	0.8
75.00706	0.6
77.51006	0.7
86.34919	0.7
93.03342	4.7
96.95915	0.9
97.67435	0.7
101.02348	1.1
108.02040	9.5
109.02834	18.5
115.00257	4.8
119.04951	1.3
121.02860	1.4
122.03601	4.1
123.04465	1.8
124.01583	1.1
133.02792	1.6
134.03658	0.7
135.04417	2.3
137.02396	0.8
145.06483	1.5
147.04408	0.9
148.05249	1.3
149.05945	1.3
154.02649	0.9
161.06007	2.9
175.42920	0.8
179.03395	1.2
179.72888	0.7
191.05676	0.8
192.56512	0.8
226.06316	13.1
227.07065	23.1
228.07451	1.0
242.63664	0.8
253.08708	9.1
254.09395	1.1
255.10246	100.0
256.10547	5.6
298.82849	0.7
299.09229	3.8
300.21313	0.9
343.08072	4.7
505.13513	39.1
506.13788	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	505.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.1
57.26839	0.9
58.00471	1.1
58.02836	1.0
58.32912	0.9
59.01253	26.8
67.01755	24.6
68.99686	16.7
69.03323	7.3
71.00885	1.6
71.01251	17.2
71.58323	2.1
72.99178	1.7
74.02328	1.0
75.00748	2.4
85.02824	2.5
87.00750	1.7
89.02297	13.6
93.03304	3.6
95.01261	27.3
95.04930	1.5
96.95918	1.3
97.02827	3.4
98.02341	2.3
99.00748	2.9
99.02662	0.9
101.02319	48.9
103.66856	0.9
112.01513	1.4
113.02310	4.2
116.03423	1.3
117.01759	1.6
118.97963	1.8
119.03381	2.7
119.63502	0.9
120.23627	0.9
120.50367	1.0
120.99548	6.5
121.02834	4.0
123.00801	1.2
123.04409	21.7
127.03899	88.8
128.04202	2.2
140.03394	1.1
149.02364	7.6
149.06023	2.0
152.03442	4.3
155.03398	83.7
156.03743	1.8
161.04448	5.6
175.03886	1.3
179.05499	1.4
181.05017	1.5
186.93428	1.1
191.05499	5.1
193.05028	2.5
210.11734	1.0
221.11816	3.3
241.03322	1.1
241.07121	1.3
260.55392	1.0
273.03192	1.2
273.06189	24.5
311.07617	5.6
369.70920	1.1
435.14999	1.4
505.15582	100.0
506.15991	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	505.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	9.6
67.01755	1.1
68.99680	3.5
69.03332	1.7
71.01251	6.8
71.58736	0.5
72.99174	1.0
73.02824	0.4
75.00733	0.4
79.01755	0.3
85.02825	0.8
87.00764	0.7
89.02306	5.0
93.03301	0.6
95.01257	23.0
95.04906	0.3
96.01552	0.5
97.02831	1.0
98.02356	0.4
99.00750	1.8
101.02316	9.0
109.02836	0.5
113.02342	1.7
117.01826	0.6
119.03403	1.4
120.18094	0.3
120.99510	0.5
121.02841	1.7
123.00791	0.8
123.04402	8.2
124.04668	0.3
127.03895	0.5
129.01785	0.6
131.03374	0.3
137.02341	0.7
141.01849	0.4
142.48741	0.3
147.04384	0.4
149.02339	3.7
151.03918	0.6
153.78238	0.3
155.03395	100.0
156.03716	2.1
161.04433	1.2
177.01793	0.7
179.05482	0.5
181.04927	0.6
191.05504	1.3
193.04982	1.1
225.07613	1.2
241.03497	0.7
273.06113	6.1
280.32529	0.3
311.07645	2.1
371.12241	0.3
473.12491	0.7
505.15588	50.3
506.15808	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	505.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13648	0.9
55.60847	1.0
57.60226	0.8
59.01246	12.3
60.97393	7.1
63.98059	1.0
69.87187	4.2
71.01250	7.6
72.97401	100.0
80.19658	0.9
85.02814	2.1
87.00740	1.2
89.02306	7.1
96.00272	0.8
96.95918	1.3
97.01062	1.3
97.32679	0.9
98.19804	1.0
101.02324	5.2
108.02048	0.9
109.02843	1.9
111.10110	1.0
113.02331	3.6
119.03368	2.9
123.00721	1.4
124.01507	1.2
133.25768	1.0
134.97469	23.5
149.02383	0.9
152.04689	0.8
179.05499	1.2
245.10028	5.5
255.10271	5.6
256.10446	0.9
263.11111	4.1
289.81888	1.0
425.16321	2.6
479.01675	0.9
487.16553	12.2
488.16632	1.9
505.17575	24.8
506.18054	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	505.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98322	0.7
59.01245	8.6
60.97394	8.0
65.12869	0.8
69.32355	0.9
71.01253	7.4
72.97400	100.0
78.11670	0.8
78.86338	0.9
82.39388	0.8
85.02828	1.1
87.00749	1.2
89.02323	5.4
96.95895	1.1
98.19817	1.8
101.02325	4.2
101.35051	0.8
105.22000	0.9
113.02323	2.2
119.03391	3.0
129.83090	0.8
134.97467	26.6
138.60759	0.8
143.03418	1.0
168.02255	0.9
181.05035	1.1
245.10080	5.6
255.10143	1.7
263.11081	4.2
322.78708	0.8
425.16281	5.0
487.16415	14.8
488.16650	1.4
505.17487	21.1
506.17740	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	505.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.3
57.03326	3.1
58.00469	2.8
59.01250	67.6
71.01254	44.3
71.19937	3.9
72.00780	1.6
72.99184	6.1
73.02809	4.0
74.98966	5.1
75.00742	3.0
75.58438	1.7
80.38924	1.5
82.87169	1.6
83.01244	3.9
83.04913	2.0
85.02824	12.4
87.00754	12.8
87.04390	4.9
87.05521	2.6
89.02316	47.3
93.03327	11.6
95.01309	2.4
96.00820	1.6
96.95876	3.1
97.06458	1.8
98.02338	2.0
99.00726	2.0
101.02319	27.0
103.02111	5.6
113.02329	17.7
119.03387	19.1
120.99541	100.0
129.06592	2.8
129.10222	2.4
131.03336	3.4
135.04390	4.3
143.03387	4.4
147.04419	2.2
149.04459	2.5
151.03845	1.7
151.07538	3.9
153.09132	6.9
161.04445	8.4
164.07047	2.3
169.06830	3.6
173.04448	6.7
177.01891	1.8
179.05513	18.5
183.04607	3.0
187.07523	1.6
191.05536	29.5
192.05783	1.6
199.26842	1.4
203.10709	8.7
209.11717	2.0
221.11751	4.4
223.13342	4.7
237.09514	18.5
253.08971	4.6
315.14548	6.3
325.14563	2.4
347.11722	4.8
449.14853	2.8
461.28528	1.6
487.16672	3.2
487.25443	1.9
505.17490	83.8
505.25571	18.1
506.17700	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	505.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70221	0.5
55.01743	0.6
56.82790	0.5
57.03297	1.1
59.01248	16.6
69.03322	0.7
69.87888	2.4
71.00882	0.8
71.01250	10.5
72.99176	0.8
73.02808	3.5
82.80295	0.5
83.01202	0.7
83.04887	1.0
84.01959	0.4
85.02813	3.6
87.00751	4.1
87.04374	0.8
89.02311	2.9
93.03320	5.2
96.10891	0.5
96.16975	0.4
97.06460	2.4
97.27531	0.5
99.00771	0.5
101.02310	3.8
104.43958	0.5
109.02840	0.7
109.06443	0.6
111.00743	0.6
111.04372	1.2
113.02293	2.3
113.16764	0.5
115.00233	1.4
119.03383	1.7
121.02761	0.6
123.08054	0.6
123.68084	0.5
125.09576	1.4
127.03876	0.5
133.01282	0.9
133.02846	1.0
133.04955	3.9
134.03688	0.8
135.04402	1.5
137.02396	0.7
137.09555	0.5
146.03624	0.8
155.03447	0.7
157.04948	0.6
159.04391	0.6
161.04428	0.8
172.05197	0.7
173.04474	5.9
173.05891	0.8
175.03951	0.6
177.01863	0.6
178.02629	0.6
179.03339	0.7
186.06670	1.2
187.07544	1.3
191.05531	20.9
192.05917	0.9
199.09882	0.6
201.05470	1.1
201.09131	0.7
202.06308	0.7
203.07014	2.1
204.07858	0.8
209.11754	100.0
210.12103	3.9
211.13245	0.9
214.06270	1.4
215.07034	1.6
229.08633	1.9
230.09451	0.7
231.09779	0.5
232.07423	0.7
233.08165	0.8
235.08205	2.8
247.09682	1.1
248.10413	1.2
248.61729	0.5
253.09233	12.1
274.08347	1.0
289.17941	0.9
291.19751	0.7
307.19086	1.1
327.16058	0.8
345.17139	0.9
351.07355	0.7
356.17175	0.5
363.12076	0.6
389.15924	0.9
411.28995	0.6
423.26700	0.7
429.30096	4.7
445.21045	0.8
447.31158	1.8
449.14255	1.0
461.32529	0.6
487.34320	1.2
505.35367	50.9
506.35403	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	505.2572
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01247	3.9
70.57666	1.4
71.44530	0.6
78.95770	25.3
79.05533	0.5
96.95868	2.4
96.96826	2.4
104.73075	0.6
106.17830	0.5
128.24500	0.6
150.97830	0.7
152.99480	40.7
160.84074	0.9
162.83670	0.5
171.00517	2.0
178.28896	0.6
227.03186	6.1
233.22731	1.0
245.04279	2.2
277.21689	100.0
278.22086	8.0
413.20724	1.6
487.34378	1.6
505.25690	61.7
505.33392	2.0
506.25967	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	505.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.03328	3.4
57.69517	0.6
59.01249	8.7
67.01757	0.8
68.99681	1.5
69.03334	3.5
71.01253	21.2
71.36145	1.2
72.99170	3.0
73.02801	1.5
75.00745	14.3
83.01257	5.5
85.02822	22.1
87.00747	6.5
89.02315	4.8
91.03887	1.4
95.01259	7.2
99.00751	19.0
103.00255	1.5
111.00768	3.3
112.01618	0.8
113.02323	32.9
115.00249	1.1
117.01839	1.2
129.01801	1.0
131.03381	2.5
139.00267	1.9
157.01344	3.1
175.02432	0.9
185.31674	0.6
205.07118	3.9
207.05003	1.0
223.08168	1.2
249.06122	26.3
250.06628	0.9
255.23256	100.0
256.23615	6.6
267.07184	6.2
279.23209	0.9
459.34177	0.7
505.30133	95.8
506.30539	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	505.3015
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
57.03310	2.0
59.01247	13.9
62.35214	0.8
67.01756	0.8
68.99667	2.1
70.34354	3.0
71.00887	1.1
71.01247	13.6
72.99167	4.6
73.02813	1.2
73.45192	0.9
75.00352	1.3
75.00744	18.0
83.01230	0.9
85.02814	17.1
87.00757	5.9
89.02306	3.9
95.01274	4.4
99.00747	10.8
103.00260	1.7
111.00817	1.2
113.02329	24.4
115.00252	1.7
117.01830	1.7
129.01811	1.5
135.92555	0.8
140.66667	0.8
175.02348	3.7
179.26147	0.8
205.07085	1.7
231.05013	2.0
249.06137	20.9
255.23250	100.0
256.23639	5.7
267.07257	3.0
279.23184	1.1
487.28943	2.9
505.30121	96.3
506.30319	8.5
529.64563	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	507.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72142	2.5
59.01242	4.6
63.33925	2.6
64.04588	2.6
71.52057	2.4
71.57980	5.1
74.98965	8.6
75.00741	11.3
85.02824	3.2
87.00751	19.8
89.02283	2.9
99.00736	4.9
101.02328	3.8
105.01830	17.9
109.02859	2.7
136.98994	8.0
147.02870	2.7
165.03957	100.0
177.01917	3.9
191.05573	25.0
192.05943	2.8
315.07199	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	507.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27288	2.0
59.01250	21.8
69.03324	54.2
69.52633	2.8
69.53040	13.4
71.01253	24.2
72.95785	2.0
73.02815	7.3
78.76359	1.7
83.01280	2.0
85.02814	3.9
87.00747	4.5
89.02322	18.1
93.03333	2.2
95.04898	24.0
99.04400	6.7
101.02302	8.2
107.04889	9.3
113.02328	32.4
113.78542	1.9
125.02386	2.8
125.06001	3.9
131.03409	9.6
149.04478	8.2
151.07550	7.3
169.08618	18.0
191.05562	22.4
213.07632	48.8
369.16901	2.1
507.17139	100.0
508.17456	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	507.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.1
57.03321	2.3
58.00459	3.6
59.01250	100.0
64.32426	1.0
64.55266	1.2
67.01746	1.8
69.03333	7.6
71.01253	96.2
71.59286	2.2
72.99179	8.9
73.02823	11.3
74.98982	1.1
75.00748	4.2
81.03338	4.4
83.01231	5.4
83.04893	1.5
83.10766	1.1
85.02820	17.9
87.00744	12.7
89.02318	96.1
93.03339	7.8
95.01254	4.1
96.95894	4.5
97.02821	9.2
99.00752	2.6
101.02316	28.3
106.04128	5.4
107.04890	9.4
108.02047	2.5
109.02818	1.4
109.06483	2.0
111.00787	5.0
111.04388	1.9
113.02324	16.6
115.03949	1.6
117.01828	1.8
119.03388	4.4
120.08889	1.1
121.02840	3.0
123.08082	1.8
125.02334	27.9
127.03917	1.4
127.68610	1.0
131.03400	24.3
135.02884	8.2
135.04445	2.0
137.02371	1.3
139.03818	1.2
143.03427	2.9
149.04469	27.1
149.05664	0.9
163.11157	1.2
173.04451	5.2
173.05890	2.0
179.03372	1.1
191.05545	33.3
192.05882	2.6
201.77586	1.2
207.10252	1.9
213.09125	26.3
214.09381	1.8
229.08443	1.5
230.09468	1.3
233.06580	6.1
262.86731	1.1
283.13269	1.7
293.08774	42.0
294.09097	1.8
301.18048	1.2
311.12872	1.6
327.16174	5.3
327.21478	1.4
344.60748	1.5
345.17075	3.8
371.15128	2.8
447.26004	1.8
489.27097	1.3
507.18945	12.9
507.27948	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	507.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.6
57.03321	4.5
58.00473	4.1
58.73431	2.3
59.01252	95.0
67.01760	2.6
68.99644	3.3
69.49888	2.7
69.50207	21.5
71.01247	67.4
72.99185	14.3
73.02819	3.6
75.00744	11.7
78.95768	14.6
83.01257	6.0
83.04893	3.1
85.02821	17.4
87.00747	14.3
89.02312	59.9
93.03332	24.4
95.01262	6.7
97.06462	6.4
98.20515	3.8
99.00754	3.6
101.02317	34.9
109.02838	4.7
111.04411	4.3
113.02333	27.3
117.01830	8.1
119.03394	27.5
133.02800	2.7
134.03629	3.1
135.02887	58.7
135.04408	12.4
137.02359	5.5
143.03392	5.9
146.03630	3.9
151.07678	2.7
158.03659	7.5
159.04449	9.4
159.08073	3.6
161.02385	3.1
161.04506	5.1
161.05904	3.2
171.04314	2.8
172.05193	10.9
173.04453	19.2
173.06007	18.1
173.09689	4.8
174.03175	6.1
174.06766	8.5
175.03934	5.6
175.07564	8.0
176.04599	3.2
178.02637	5.9
179.03401	7.5
179.05486	12.2
185.06107	4.2
186.06796	9.3
187.03886	11.0
187.07549	34.6
191.05525	63.3
192.05914	7.4
200.04721	10.1
200.08357	4.4
201.05501	65.8
201.09125	21.5
202.06281	24.3
203.07062	20.2
204.07770	4.9
204.18919	2.6
205.08623	8.0
209.11795	9.9
214.06279	7.1
215.07051	10.2
217.08560	4.3
228.07944	3.2
228.46974	2.7
229.08635	82.3
230.09424	100.0
231.10013	10.9
232.07242	3.5
233.08063	5.6
247.09608	17.3
248.10381	8.0
267.13910	3.1
268.14661	3.6
274.08414	3.3
283.17053	4.5
300.13708	3.4
327.15979	44.5
345.17032	17.8
352.08051	3.8
353.08871	2.7
367.10431	3.9
371.15121	5.6
376.10690	3.0
409.15067	16.6
410.15860	59.6
411.16049	7.3
420.16153	3.1
471.26303	4.5
489.17743	3.6
507.18259	5.1
507.25836	10.3
508.26636	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	507.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80985	3.5
55.92103	3.5
59.01246	67.4
67.01782	5.2
71.01247	42.3
72.99182	8.2
73.02814	5.5
73.82906	3.3
75.00736	7.4
78.95762	9.5
85.02817	13.2
87.00749	18.3
89.02314	39.0
93.03318	19.4
95.01196	4.3
97.06451	8.0
101.02322	28.9
111.04410	4.1
113.02320	13.3
119.03378	14.0
123.12029	3.0
125.09591	4.5
126.19936	3.1
135.02895	33.8
135.04399	13.1
136.28526	3.4
140.83435	3.9
145.06389	4.3
158.03651	7.8
159.04395	7.0
171.10133	5.7
172.05179	10.3
173.04440	16.8
173.05966	15.7
173.09650	4.6
174.03145	4.1
174.06746	10.4
175.03784	5.5
175.07510	4.6
175.99634	3.9
177.56367	3.1
179.03354	4.3
179.05489	6.3
186.06792	8.6
187.03873	9.1
187.07573	27.1
190.99782	5.4
191.05547	51.5
192.05881	4.5
200.04662	4.5
201.05493	59.8
201.09166	19.1
202.06235	33.6
203.07025	18.3
205.08646	7.0
206.02039	4.3
207.10220	4.4
209.11777	9.1
214.06328	4.3
215.07050	9.4
229.08626	82.3
229.65817	4.0
230.09435	100.0
231.09880	8.0
233.08165	9.4
247.09697	15.7
275.65475	3.5
291.19666	59.9
292.19901	4.2
309.20670	97.7
310.20825	5.4
345.17004	6.4
347.18335	8.0
363.95239	4.1
367.10101	7.4
409.15045	13.2
410.15836	52.9
411.16211	5.7
433.72266	3.9
463.23068	3.9
489.24921	6.8
498.42667	3.6
507.25211	10.3
507.34799	5.2
508.26703	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	507.237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23910	1.1
57.03320	1.3
59.01249	25.2
61.98682	1.6
67.01753	1.5
69.03333	3.6
71.01250	19.5
72.99174	3.4
73.02808	2.1
75.00755	3.7
77.12514	1.1
78.95770	6.2
83.04883	1.4
85.02820	6.7
87.00755	8.3
87.90321	1.1
89.02317	11.4
93.03340	8.8
97.06469	3.3
101.02299	8.7
109.02843	1.9
111.04436	2.6
111.07985	1.5
113.02331	5.1
117.01830	1.6
119.03371	5.3
119.04142	1.3
121.10100	3.5
121.19609	1.3
123.08001	1.4
125.09606	4.9
133.02959	1.1
134.03629	2.4
135.02898	16.0
135.03894	1.2
135.04424	3.7
137.02336	1.7
155.08386	1.0
158.03568	1.4
159.04439	1.7
161.02327	2.1
166.59126	1.2
171.10202	3.9
172.05180	1.5
173.04471	8.6
173.05978	3.1
174.03119	1.9
174.06789	1.5
175.03896	1.4
175.07500	1.8
177.01802	1.4
178.02684	1.4
179.03464	1.7
185.11778	5.9
186.06706	2.5
187.03947	1.9
187.07565	5.6
191.05536	29.0
191.07196	1.0
192.05879	1.9
195.79587	1.1
200.04745	1.9
201.05476	5.9
201.09120	3.0
202.06284	3.5
203.07010	5.7
203.10704	1.5
204.07774	3.3
205.08591	2.3
209.11784	5.4
211.13319	27.3
212.13698	1.3
213.82443	1.2
214.06273	1.9
215.07181	2.9
218.05742	2.2
225.11255	1.9
229.08662	8.4
230.09462	12.5
231.10057	1.9
233.08176	2.9
237.73575	1.4
239.12872	2.7
247.09717	7.3
247.20598	1.2
248.10391	2.0
274.08298	2.4
279.12451	1.2
291.19641	33.8
292.19867	1.9
309.20764	2.9
338.53403	1.3
367.10239	3.6
371.15079	2.0
389.16061	2.7
409.15106	1.4
410.15854	3.3
439.36829	1.5
471.25958	100.0
472.26196	10.8
480.66641	1.4
489.17807	2.0
489.24789	2.3
507.18896	3.4
507.25891	5.9
507.32910	1.7
508.26837	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	507.2383
Annotation	Tomentosanol E
Peak:m/z	Relative Intensity
59.01233	0.7
69.87290	2.0
73.75990	0.4
76.19162	0.4
78.95759	1.2
91.01759	1.3
95.01236	0.8
96.95839	0.6
119.01302	2.0
125.09630	0.6
125.73959	0.3
135.00644	0.6
147.00760	0.7
151.16841	0.4
152.99474	1.0
155.10666	0.6
163.00273	23.7
164.00714	0.5
171.10152	0.6
190.99774	100.0
192.00450	6.4
206.02127	11.8
207.02469	0.4
215.09232	1.0
278.22388	0.4
279.22430	1.0
374.07590	0.4
377.13980	1.2
404.11487	0.4
405.16925	0.4
407.74573	0.4
479.20947	1.0
492.21487	23.2
493.21906	2.4
507.23941	56.4
508.24255	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	507.2594
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
57.01565	2.4
57.03334	3.5
59.01246	11.5
68.99680	6.6
69.98076	5.6
69.98490	5.3
71.01242	3.5
73.02849	2.7
73.30157	2.2
78.95787	2.6
81.03340	2.8
83.04896	6.1
85.02808	3.7
93.03350	2.8
95.04881	3.4
96.95887	12.2
97.06464	7.1
108.02023	2.9
109.02866	2.7
109.06466	7.1
111.04444	3.2
115.97115	2.0
121.06403	2.6
123.08048	7.9
125.09618	29.4
134.03522	2.5
135.04520	2.5
161.09570	3.0
162.06711	5.9
163.11197	7.6
171.10158	10.1
175.11238	3.6
177.09097	2.9
179.10718	3.4
185.11694	5.8
187.09666	4.1
191.05392	2.8
191.10638	4.2
191.14360	2.4
193.12218	2.6
207.10245	10.4
209.09889	2.7
209.11792	38.2
217.12253	3.6
219.10257	6.3
223.09668	6.4
223.24596	2.1
225.11290	8.5
225.41989	2.7
235.13313	4.5
236.10196	3.1
237.11275	4.4
245.11711	3.4
247.09721	2.6
263.12778	7.4
273.22324	2.3
299.14871	3.0
308.70340	2.2
329.23206	4.4
343.19141	2.6
345.20618	4.3
361.20230	4.2
371.18658	6.4
389.19461	3.1
397.20142	3.3
415.21207	6.4
419.24414	6.1
425.16306	2.7
435.23764	4.6
445.22119	26.9
461.25754	4.0
463.23312	100.0
464.23624	6.6
471.23941	6.5
489.24908	51.1
489.31903	4.4
490.24692	4.0
507.25690	36.1
508.26028	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	509.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33041	2.6
59.01258	6.4
71.01229	6.7
71.57714	4.5
74.99007	4.1
79.82906	2.9
85.02829	3.2
87.00764	3.8
89.02324	4.8
92.92678	100.0
93.03342	5.1
95.01223	3.7
97.02842	3.6
101.02368	3.3
108.02058	5.3
109.02853	35.0
111.00739	5.9
111.04433	3.6
135.04414	94.5
136.99010	3.4
143.04967	6.8
145.02905	3.8
149.05988	46.0
151.03915	5.8
161.05978	27.2
162.03197	3.3
163.07594	3.7
165.03938	7.8
165.05428	6.1
166.85988	17.6
167.03436	6.6
171.04463	6.4
173.04506	5.2
173.05891	3.5
174.03114	8.3
177.05476	30.2
179.03447	8.2
182.18452	2.8
189.05510	93.0
190.05956	3.4
191.03717	4.5
191.05540	54.8
191.07127	5.5
207.06567	59.4
219.06709	3.4
221.04485	31.9
231.06606	3.1
235.06111	7.2
239.05551	5.1
249.07855	7.0
275.05493	4.9
297.09674	4.5
311.07758	44.4
311.11179	7.5
351.10986	3.3
369.11911	7.9
377.08441	4.7
383.09869	6.5
401.10739	10.6
411.13284	3.3
413.10858	64.1
414.11200	3.3
415.12485	4.5
443.11908	10.0
455.11548	3.4
464.67239	3.7
473.12939	55.5
474.13611	4.4
477.47159	3.5
509.13220	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	509.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
59.01253	6.5
61.67031	0.4
61.98677	0.4
63.96099	1.0
66.52752	0.4
66.62288	0.4
69.03326	1.1
71.01254	10.3
72.99182	1.3
73.02816	3.3
74.98974	0.4
75.00738	0.8
78.95776	0.6
78.98466	4.8
79.95598	8.1
80.96388	58.1
81.03306	0.7
83.01250	0.9
85.02829	4.3
87.00761	2.8
87.04379	1.6
89.02318	2.5
93.03317	1.6
94.97956	13.8
94.98569	0.7
96.95886	1.5
97.02819	1.7
97.06471	0.5
99.00776	0.7
99.04394	0.5
101.02319	6.2
106.97962	3.3
109.02869	0.6
113.02334	0.8
119.03362	1.3
120.99536	0.5
122.97459	4.9
123.04467	0.4
125.02374	3.0
127.03880	1.0
131.03447	0.5
133.02826	0.6
134.03616	0.7
134.97481	4.3
135.02853	0.8
135.04425	1.8
136.99043	1.3
137.02281	0.5
143.03429	0.4
146.97531	0.4
148.99051	5.6
149.04398	0.6
152.98515	5.8
161.04474	1.0
163.06042	0.9
163.11116	0.4
164.98534	10.2
173.04425	1.4
179.00026	0.5
182.99538	2.1
186.70415	0.4
191.05560	3.6
203.07065	0.5
205.07141	0.5
206.97961	0.5
206.99532	2.6
207.10004	0.6
209.11765	6.4
225.00687	15.3
225.11203	0.5
226.00945	0.6
229.08647	0.9
230.09280	0.8
231.09598	0.8
243.01762	1.6
299.04437	2.0
317.19559	0.9
341.23175	1.0
347.18573	0.6
374.05969	0.6
412.17001	0.9
449.24002	2.8
508.31830	0.8
509.16925	100.0
510.17325	7.8
519.86267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32145	1.2
50.34212	1.1
57.03307	3.3
58.00441	1.1
59.01248	39.1
67.01782	1.5
69.03310	2.4
71.01250	27.2
72.99183	4.7
73.02804	6.1
74.98987	2.6
75.00739	4.0
78.95771	2.5
79.95621	1.5
80.96391	8.0
81.03316	2.0
83.01267	6.0
83.04903	1.7
84.02020	1.3
85.02827	13.8
87.00760	19.0
87.02130	2.0
87.02611	20.6
89.02303	20.6
93.03331	3.8
94.97981	2.0
95.01254	2.3
96.00234	2.1
96.95884	3.1
97.06480	1.1
99.00729	1.8
101.02312	23.0
109.06446	1.6
111.04407	1.9
113.02319	12.0
114.01325	7.6
115.03893	1.4
117.97161	1.6
119.03378	7.9
119.04916	2.3
120.99504	1.3
122.97451	1.3
125.02366	1.9
125.09613	3.7
127.03934	1.4
127.07539	3.3
131.88205	1.2
135.04340	1.6
136.98965	1.6
137.02405	1.2
138.05479	1.4
138.88483	1.2
149.04510	1.9
150.05544	1.4
152.98425	1.2
159.02872	1.3
161.04456	4.6
163.03934	2.2
163.11188	1.3
164.98561	1.8
171.00632	1.4
171.10138	2.0
173.04419	5.5
173.05760	1.5
179.03311	1.4
179.05495	2.5
191.03880	2.0
191.05533	18.1
191.10565	2.1
192.05931	1.5
197.10019	10.9
209.11737	3.1
223.11519	6.0
225.00682	2.4
226.11871	1.5
241.12453	2.5
249.06096	14.1
253.09247	18.6
257.17474	2.6
259.13712	24.9
273.17059	100.0
274.17334	3.8
285.18542	2.5
301.17825	2.9
303.19754	1.3
329.14020	2.8
329.17606	2.1
347.14871	2.2
347.18573	15.1
403.18124	1.9
421.18991	13.1
422.19061	1.8
509.20541	81.7
509.29459	43.6
510.20605	7.4
510.29514	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	509.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	2.2
59.01250	29.1
69.80697	15.0
71.01263	13.7
72.99146	3.7
73.02823	4.6
75.00750	5.6
80.57827	2.3
85.02818	6.8
87.00734	5.6
89.02312	12.8
93.03336	3.8
101.02309	18.0
102.01894	3.5
112.04964	2.7
113.02338	7.4
119.03416	6.3
120.99532	9.5
121.02863	3.4
140.31503	2.7
161.04456	3.4
167.12048	3.0
169.12267	63.0
173.04460	2.8
177.37776	2.5
184.50119	2.5
191.05415	12.2
197.11757	80.7
198.12045	3.3
253.09291	9.3
256.12000	3.5
287.10400	4.3
329.11426	5.4
417.12439	2.7
424.15109	2.9
477.12799	5.2
477.19739	100.0
478.20108	8.5
509.17438	39.6
509.22748	34.8
510.23318	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	509.2386
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
57.03336	1.5
58.00459	3.3
59.01249	100.0
71.01250	70.0
72.99169	4.9
73.02808	2.6
77.66755	0.8
78.95787	1.3
83.01260	2.7
85.02818	10.0
87.00747	4.6
89.02312	96.4
93.03323	3.1
95.01270	3.5
101.02318	37.1
113.02323	30.5
113.56692	0.9
119.03387	42.0
119.04240	2.2
125.02327	1.9
125.09673	1.1
131.03362	6.6
136.38269	0.9
143.03375	11.3
149.04436	3.5
161.04471	10.3
171.10237	1.3
173.04411	1.9
179.05528	36.2
191.05490	2.5
201.09094	4.2
201.10974	2.2
201.12880	1.5
203.10649	2.6
209.11751	4.3
225.11209	2.2
227.10808	1.2
234.08896	2.2
238.18118	1.0
259.20618	2.5
269.15430	26.6
270.15909	1.0
285.18610	22.9
286.18982	1.2
303.19543	4.4
329.17554	77.1
330.17841	3.6
347.18625	56.6
348.18951	3.2
353.65427	1.1
361.02762	1.0
389.19577	2.4
509.23425	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	509.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
59.01229	2.1
69.03310	1.0
71.01255	3.6
73.02806	1.4
73.74680	0.5
74.10129	0.5
78.12527	0.5
78.98462	1.6
79.95599	3.3
80.96384	23.2
81.03322	0.7
83.04893	0.5
85.02815	1.6
87.00749	2.1
89.02319	0.7
93.03324	1.1
94.97963	5.4
96.95876	0.7
97.02861	0.8
98.18362	0.5
98.19754	1.4
101.02328	1.9
102.22713	0.5
106.97980	1.0
113.02333	1.0
119.03362	1.0
122.97495	1.3
125.02310	1.2
127.03860	0.5
134.97476	1.6
148.99049	1.7
152.38553	0.6
152.98512	1.9
161.04445	0.9
164.98506	3.6
173.04497	0.9
187.07497	0.6
191.05501	2.6
201.12767	2.1
209.11743	3.3
225.00705	4.4
225.11183	1.0
239.06653	0.7
255.14091	0.9
259.20575	7.9
268.02710	0.7
269.15442	15.2
270.15787	0.9
285.18564	100.0
286.18817	6.6
299.04227	0.8
302.15039	0.8
303.19641	9.8
311.16727	0.7
347.18561	7.1
493.36703	0.7
504.94812	0.6
509.16794	29.5
509.23892	71.4
510.17044	2.8
510.24255	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	509.2391
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
55.01734	1.6
57.03305	1.8
57.86765	0.7
58.00473	3.9
59.01249	86.0
61.98687	0.7
63.96109	1.3
67.01756	0.7
69.03333	1.3
69.30822	1.3
69.31229	6.7
71.01253	53.7
72.01573	0.8
72.99171	6.9
73.02814	1.9
73.33972	0.8
75.00748	2.3
79.95570	1.0
80.96373	4.4
83.01248	3.1
85.02827	11.8
87.00750	5.3
89.02315	52.9
91.00249	3.2
93.03327	5.4
94.97947	1.6
95.01250	3.3
96.95908	1.1
97.06474	0.8
99.00768	1.4
101.02317	35.4
111.04324	0.9
113.01514	0.9
113.02330	19.2
118.97919	1.1
119.03381	25.3
119.04804	1.1
120.03716	1.2
131.03427	1.9
135.02846	1.1
135.04367	1.5
143.03383	4.3
149.04474	3.1
155.10620	1.5
161.04431	3.8
163.03905	0.9
164.98447	0.8
173.04442	4.4
177.01883	0.9
179.03409	1.3
179.05499	9.5
191.05545	10.8
217.80379	0.9
236.18811	0.7
241.37117	0.9
286.15555	1.7
301.14664	1.0
301.18073	12.1
302.18359	1.0
303.19366	1.6
329.17584	8.9
347.18610	2.1
509.17111	8.0
509.23807	100.0
510.17813	1.4
510.24207	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	509.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.8
59.01246	10.4
69.03310	4.0
71.01270	9.3
83.04900	8.5
87.00735	5.5
93.03323	21.0
95.04895	6.4
96.95918	3.2
97.02821	5.9
100.61243	2.7
105.24132	2.5
108.13921	2.5
109.02809	4.3
109.06465	11.4
111.04422	6.9
125.09586	6.1
130.61188	3.1
134.03592	4.1
135.04408	4.1
135.08087	5.1
137.02325	5.2
150.52930	2.8
151.11174	3.4
151.30579	3.0
155.85233	2.4
163.11153	12.2
171.10219	17.0
173.04468	10.1
179.03340	2.6
179.10699	4.3
185.11801	4.0
189.09157	6.3
191.05499	21.4
192.05820	3.1
201.11261	10.8
207.10187	28.5
209.11757	100.0
210.12064	4.8
223.13423	4.1
225.11253	61.4
227.12903	16.3
233.11787	3.2
251.12883	4.7
273.18732	4.8
281.66940	2.8
293.21198	30.3
299.15173	5.2
303.32056	3.4
311.22272	88.8
312.22525	4.6
330.36337	2.8
339.05740	2.6
389.23648	3.1
453.12357	3.1
465.32257	3.3
473.25507	6.9
491.19690	3.5
491.26590	9.0
494.50888	3.3
509.20404	6.4
509.27975	29.3
510.27679	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	509.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47754	0.9
55.01731	1.3
57.03281	2.4
58.00455	1.2
59.01246	86.3
60.01569	1.2
61.98668	1.0
69.03332	1.9
71.01251	42.2
72.99182	5.3
73.02812	28.2
75.00727	1.6
78.98456	5.7
79.95618	8.2
80.96387	61.7
81.03285	1.2
83.01251	3.8
85.02819	14.1
87.00724	9.6
87.04388	22.8
89.02313	28.0
93.03326	3.5
94.97957	15.8
95.01269	1.9
97.02818	2.2
99.00754	1.8
101.02315	53.8
103.03879	20.1
106.97982	2.6
111.04378	1.3
113.02331	7.6
115.03909	5.1
119.03381	12.7
122.97474	6.3
125.02324	5.3
127.03899	5.0
131.03369	10.6
134.97456	3.3
135.02843	2.0
135.04384	3.2
136.99049	2.2
143.03403	13.3
145.04996	5.1
148.99005	6.1
152.98546	6.0
161.04491	1.9
161.60432	1.0
163.06021	66.7
164.06297	1.2
164.98541	10.0
173.04420	2.8
173.05904	1.7
179.05460	2.8
182.99585	2.5
191.05516	8.3
203.07062	1.1
205.07083	24.2
206.99577	4.0
209.11761	6.5
218.05577	1.0
225.00703	15.0
225.10954	1.2
243.01820	2.1
249.07616	2.1
265.09250	4.9
279.00079	1.0
298.06433	1.3
299.04260	3.4
308.92432	1.1
311.03934	1.3
372.79391	1.2
449.23859	16.0
450.24390	1.4
499.68564	1.3
509.16919	100.0
509.24466	3.3
510.17126	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	509.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81274	1.3
53.69949	1.1
55.14294	1.1
57.03338	1.4
59.01244	6.8
66.94980	1.3
69.50616	8.2
71.01240	3.4
78.95749	1.4
80.02554	3.3
81.03335	5.5
82.95571	1.3
83.04896	9.3
84.02030	2.4
85.92559	1.2
93.03322	5.1
95.04922	1.3
97.02821	5.7
97.06456	2.5
105.46920	1.3
107.04883	1.5
109.02799	1.7
109.06471	15.5
110.03610	2.8
111.04379	8.8
121.06473	2.1
123.08045	2.5
125.05952	2.1
125.09630	7.3
135.08034	4.0
136.05188	2.0
141.01547	1.3
146.30345	1.3
161.09621	2.4
162.83826	1.8
163.11188	13.4
165.12724	3.5
171.10164	26.2
173.09532	1.2
181.12193	3.5
185.11771	10.5
189.09061	1.9
191.05516	2.4
191.10725	2.8
201.11220	4.1
205.12292	1.8
207.10199	44.6
207.12167	2.1
209.11766	100.0
210.12148	2.0
215.58928	1.6
217.12230	2.8
219.10190	2.8
219.13829	1.4
223.13371	5.0
225.11263	25.2
227.12852	10.3
231.10165	3.9
235.13353	2.8
237.11334	1.8
245.11693	1.7
247.13341	3.5
249.11255	5.2
251.12970	2.4
263.12869	5.6
281.13852	5.1
299.14938	5.2
305.13913	2.6
311.22174	10.8
319.15408	2.0
330.71823	1.4
337.16306	3.6
340.73096	1.3
344.94336	1.5
355.18073	2.0
367.16501	4.9
373.19943	1.7
373.24219	1.8
385.80368	1.3
399.21741	3.7
415.83185	1.4
447.23627	2.1
465.24872	5.1
473.25412	13.9
491.26419	18.6
509.27484	48.0
510.27777	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	509.288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52015	0.3
71.68607	0.4
78.95770	20.0
96.96824	1.6
98.19840	1.2
101.03690	0.4
112.93363	0.4
150.97852	0.6
152.99478	30.3
171.00562	1.5
216.03905	0.4
227.03178	4.6
229.63510	0.5
245.04182	1.1
275.05606	0.4
281.24829	100.0
282.25208	6.8
394.70099	0.4
417.24026	1.3
509.28781	52.6
510.29083	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	509.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.9
59.01229	2.0
60.80481	0.8
65.52705	0.7
69.03298	1.2
70.88157	2.0
71.04884	0.7
73.09280	0.8
96.95879	1.1
103.31574	0.7
109.06506	0.9
109.15745	0.7
111.08015	3.2
116.99987	0.7
123.04395	1.5
123.08038	2.5
125.09592	1.3
137.09628	1.1
139.11185	40.4
140.11469	1.0
151.11191	0.8
163.11186	0.8
169.12186	0.6
171.10237	2.0
177.12726	0.7
179.41074	0.8
181.12294	0.8
183.10162	11.8
199.09602	1.0
199.13327	5.6
201.11243	100.0
202.11630	2.3
207.10176	1.1
209.11781	3.9
217.10797	1.7
225.11191	3.6
227.12854	1.3
231.75623	0.7
239.12868	1.2
245.19063	2.4
287.59933	0.8
289.14835	0.9
289.18039	16.1
289.21085	1.4
307.19131	28.3
308.19540	1.3
502.68814	0.7
509.26761	1.1
509.31195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57154	11.1
69.87379	21.9
69.87784	38.0
71.01255	15.0
87.73378	11.7
90.71457	11.3
93.03310	24.0
93.10162	12.8
109.02869	11.6
109.06423	11.9
125.09615	16.4
131.01424	11.8
163.11223	17.0
165.81549	10.7
171.10143	31.4
173.04478	28.4
191.05518	26.7
201.11340	16.6
207.10168	37.9
209.11755	100.0
217.33000	13.6
225.11272	58.7
227.12891	16.5
311.22095	15.4
417.35910	12.6
491.26221	20.6
509.27072	35.9
513.51556	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	509.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	8.4
64.01859	4.5
66.08450	4.2
69.39601	44.8
76.51541	4.5
82.06494	4.6
83.04885	10.8
84.01984	5.2
97.02836	8.3
109.06461	18.3
111.04387	11.6
125.09631	9.2
156.38536	4.9
163.11191	10.1
171.10132	22.5
185.11720	9.1
201.11232	11.3
202.31404	4.6
207.10223	42.9
209.11768	100.0
225.11305	33.4
227.12813	19.3
249.11137	5.0
251.12810	6.2
263.12894	6.4
299.15054	10.2
373.23883	7.1
473.25436	15.7
491.26340	20.8
509.27371	56.6
509.34424	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	510.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	32.4
60.01573	0.3
69.34142	1.4
69.34578	1.0
78.95770	80.9
90.77782	0.3
96.96827	1.2
105.31873	0.3
129.96410	0.2
155.10648	1.1
168.04213	15.6
171.10141	0.5
197.38264	0.2
199.09711	0.4
217.10747	1.1
252.54738	0.3
311.21970	0.5
347.23529	11.7
348.23892	0.8
365.24493	2.4
436.31924	100.0
437.32245	9.3
490.99969	0.2
510.31036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00442	6.4
59.01247	92.4
59.97053	5.8
71.01254	100.0
71.22910	7.2
71.58840	9.0
72.99177	10.0
73.02806	20.5
75.00738	22.3
80.66996	6.6
85.02815	22.7
87.00739	11.9
89.02319	86.4
93.03329	24.6
96.71025	6.0
99.00813	7.6
101.02337	45.5
113.02312	23.3
121.02847	81.0
123.04445	9.8
131.03375	24.7
139.03914	10.8
149.04462	49.9
163.06062	8.0
173.04515	6.9
191.05563	38.5
215.02255	6.7
262.17746	6.6
264.08826	6.8
522.59344	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	511.2547
Annotation	Andrographiside
Peak:m/z	Relative Intensity
55.01741	0.9
56.93449	0.6
57.03305	1.6
58.00470	4.6
59.01248	73.9
62.54110	0.8
69.03310	1.3
71.01251	46.8
72.99181	3.7
73.02792	1.3
78.04237	0.8
83.01247	1.9
85.02821	8.2
87.00745	1.9
87.22665	0.7
89.02312	45.1
90.70253	0.7
93.03342	0.8
95.01270	4.6
97.02785	0.6
98.20576	1.5
99.00755	1.1
101.02318	30.9
113.02327	18.5
119.03386	22.1
122.39322	0.8
127.03830	0.7
131.03374	1.9
131.55629	0.6
143.03391	3.5
148.35454	0.7
149.04431	0.9
161.04478	3.2
179.05547	7.8
191.05600	3.9
191.07072	0.7
225.05069	1.0
225.11150	0.7
253.04657	2.7
271.05673	1.5
275.16446	1.1
303.19641	6.5
304.19791	0.8
327.42267	0.7
331.19028	4.3
349.20212	2.5
511.25433	100.0
512.25739	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75418	1.5
55.01745	4.8
57.03325	2.0
57.20918	1.3
58.00468	2.3
59.01250	63.6
69.03320	1.7
69.37280	1.4
70.74728	4.5
71.01250	32.4
72.99172	4.0
73.02810	17.6
75.00782	1.6
83.01238	14.3
83.04881	3.9
85.02818	23.3
85.99950	1.8
87.00742	4.8
89.02303	4.5
93.03329	9.3
95.01295	2.9
97.02788	2.0
98.19782	1.7
99.00736	5.6
101.01687	3.3
101.02315	49.3
103.03831	1.8
113.02312	15.6
120.99534	4.1
125.02312	2.8
134.03528	1.4
135.04376	2.5
159.02921	4.0
161.04457	11.5
163.05986	2.5
163.11171	4.0
171.10170	16.8
173.04462	2.8
191.05524	14.3
197.11728	2.1
207.10265	2.5
209.11766	51.1
210.12082	2.4
211.13304	7.0
227.12827	7.1
228.68343	1.8
236.20786	1.8
247.13475	4.5
265.14478	2.0
305.19687	78.9
306.20050	4.4
343.24725	3.4
357.81458	2.0
378.92801	2.1
449.25681	2.0
451.25446	100.0
452.25943	7.9
493.27554	1.8
511.28836	2.3
511.36142	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	511.2907
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.20797	0.5
53.37109	0.4
55.14304	0.5
57.03316	0.5
59.01233	1.2
69.03332	0.6
69.30978	2.4
69.31411	1.7
71.01253	0.7
80.02532	1.5
81.03309	1.3
83.04890	7.5
84.02028	1.1
85.02817	0.6
89.98958	0.5
93.03322	1.8
95.04894	1.1
96.95856	0.7
97.06432	0.9
109.06459	1.0
111.04368	0.9
123.08050	1.4
125.09601	3.1
127.11152	0.6
133.25685	0.4
135.08029	1.6
141.61128	0.6
149.09628	1.1
163.11177	4.6
165.12741	2.4
171.10161	26.9
172.10600	0.5
175.11214	0.4
175.47560	0.5
181.12190	1.1
185.11737	1.7
191.05556	1.2
191.10709	1.1
203.14375	0.8
209.11751	100.0
210.12090	3.5
211.13280	0.6
218.60811	0.5
221.11743	1.3
223.13400	1.3
225.11073	0.6
225.39270	0.4
227.12811	9.6
227.14857	0.9
228.13040	0.5
231.13823	0.5
239.12965	0.5
247.13329	8.0
247.15778	0.7
265.14340	2.7
269.95026	0.4
319.22504	0.4
321.16907	0.5
331.22653	0.6
375.21576	1.3
375.25522	1.6
383.24493	0.7
391.25034	0.5
401.23300	1.4
419.24271	1.0
431.24420	0.6
437.25662	0.6
449.25400	2.0
475.27155	2.9
493.27979	1.4
511.29358	3.5
511.36130	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	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.6
59.15099	0.7
63.05854	0.7
63.65872	0.7
71.01246	1.2
80.02556	1.1
81.03333	1.6
83.04876	6.6
84.02093	1.0
89.56226	0.7
91.04481	0.8
93.03329	2.8
95.04884	2.1
96.95911	1.6
97.06481	1.3
100.00275	1.3
100.57601	0.7
111.04431	0.9
123.08009	1.0
125.09612	3.0
135.04379	0.9
135.08052	1.1
138.03941	0.7
163.11172	3.3
165.12772	2.6
171.10185	27.4
173.04430	1.4
185.11734	2.3
191.05495	4.0
191.10744	0.9
209.11771	100.0
210.12114	4.6
210.18907	0.8
221.11746	1.0
223.13268	1.0
227.12825	9.1
228.13000	1.3
247.13368	7.9
265.14478	3.3
375.21542	1.1
375.25644	1.1
383.24225	3.2
401.23325	0.8
419.24033	1.6
449.25421	2.9
457.25555	1.2
467.30035	1.7
475.27023	3.5
493.19394	1.0
493.27835	2.7
511.21594	1.5
511.28946	6.2
512.29596	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	513.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	1.8
59.01247	32.5
63.23479	1.7
67.01758	2.6
68.99688	25.1
69.03323	11.4
69.30302	13.3
69.30712	2.0
71.01253	27.8
72.99178	3.5
73.02808	2.5
75.97914	1.5
81.03309	2.4
83.01249	6.2
85.02820	7.2
87.00747	3.6
89.02314	25.5
93.03328	4.5
95.01254	4.3
95.04880	3.0
96.43611	1.4
96.95869	2.6
97.02831	7.5
101.02320	52.6
106.00228	1.3
108.02029	1.8
109.02841	5.5
113.02336	10.3
119.03369	10.2
121.02804	9.2
123.00755	1.7
123.04395	5.8
125.02332	100.0
126.02650	2.9
127.03893	15.4
131.90608	1.4
133.02811	1.7
135.04352	2.0
139.03867	2.2
143.03429	4.0
149.02347	2.6
149.04309	1.9
153.05475	1.9
155.03383	6.3
161.04454	2.3
165.05475	2.3
169.04948	1.7
173.04480	3.4
179.05598	1.7
179.06981	2.1
185.04173	1.4
191.05524	15.0
223.06041	2.7
241.07066	3.1
249.07677	2.9
253.04668	1.4
263.05554	2.2
272.18124	1.3
281.06531	7.8
287.09384	1.9
298.48996	1.5
315.82996	1.5
333.09708	5.9
344.87378	1.6
351.10629	3.6
380.63031	1.5
513.15692	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	513.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.2
59.01251	11.7
61.98711	1.5
67.49983	1.0
69.03317	1.7
71.01250	11.7
72.99178	2.5
73.02818	3.7
74.98952	1.3
78.95747	2.4
78.98455	4.5
79.95588	6.2
80.96389	53.1
81.03336	1.5
83.04879	1.7
85.02811	9.3
87.00739	5.5
88.25422	1.2
89.02290	5.7
93.03317	8.0
94.97954	11.4
96.95875	4.9
97.02826	3.0
98.02343	1.9
99.00746	1.9
101.02319	7.6
105.45395	1.2
106.97954	1.9
111.04422	1.5
112.54227	1.1
113.02319	3.7
115.00225	1.2
119.03361	1.2
119.17232	1.1
120.99528	4.6
121.02839	1.8
122.97439	6.0
125.02325	4.2
134.97459	3.7
135.04411	2.7
136.99084	1.7
137.02322	2.4
143.03459	1.6
148.99043	5.0
150.06769	3.0
152.98573	6.7
152.99609	1.5
155.03401	1.6
161.04364	1.4
164.98553	10.4
169.12259	3.8
173.04514	6.4
179.10661	1.7
182.99600	2.1
191.05542	27.5
191.52608	1.1
206.99628	2.8
225.00693	18.0
225.05193	1.3
229.41116	1.3
243.01741	1.6
253.04623	5.7
299.04306	3.2
351.21701	2.6
440.51440	1.2
453.21494	2.4
513.16492	100.0
513.23816	6.4
513.27625	5.7
514.16425	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	513.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15798	1.6
58.00451	2.6
59.01249	37.9
69.76137	10.6
71.01253	26.6
73.02809	2.8
76.15732	1.5
80.04915	2.4
83.01259	2.2
84.04377	1.5
85.02811	4.4
87.00735	7.4
89.02316	24.2
95.01209	1.8
101.02316	16.1
113.02327	10.2
119.03388	12.6
120.69580	1.8
121.05214	5.2
122.06012	14.2
136.03923	1.7
136.07562	1.8
138.05486	5.8
143.03441	2.8
148.03925	2.7
149.04709	3.1
150.05492	6.0
160.11281	3.1
161.04529	2.7
165.04144	3.9
166.04976	6.2
173.08359	3.6
174.12730	1.7
179.05507	2.2
184.11180	2.5
188.07094	3.1
189.08015	2.2
191.05522	2.9
202.12282	9.8
204.06613	6.6
216.06569	5.6
216.08781	1.9
217.07355	4.0
218.07968	2.1
227.08218	2.6
228.10193	2.9
229.09796	11.2
231.09065	1.8
231.11307	29.3
232.11601	2.1
246.11313	14.1
253.09799	4.8
255.07918	2.0
270.10001	4.6
271.10840	36.7
272.11298	2.6
328.10306	1.8
330.11847	2.6
346.11615	4.6
374.89386	1.5
390.10272	4.1
397.13605	7.7
408.16769	1.8
426.17670	6.4
433.15985	3.7
451.17212	39.3
452.17188	3.4
469.18222	8.4
495.16220	9.1
513.17206	100.0
514.17499	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	513.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44096	1.0
55.02365	1.3
58.00460	1.9
59.01248	35.1
69.31955	6.5
69.32385	5.8
71.01252	24.8
72.99168	1.4
80.04910	2.9
80.96363	1.1
85.02804	6.9
87.00751	7.3
89.02312	17.2
94.06496	1.8
95.01247	2.0
99.00762	1.4
101.02316	20.8
108.04440	3.2
113.02334	10.7
119.03396	13.6
121.05196	4.7
122.06000	12.4
124.03912	1.6
125.05946	1.3
130.06322	1.3
136.07608	1.9
138.05490	5.2
148.03923	3.6
149.04668	2.5
150.05513	3.5
152.03564	1.4
159.06728	1.8
161.04474	2.3
165.04207	3.2
166.04988	5.0
173.08305	1.8
174.12837	1.8
179.05495	1.9
184.11226	3.3
188.07065	3.0
191.05527	3.4
192.54002	1.1
197.41667	1.2
202.12270	7.2
204.06573	5.3
214.07370	1.9
216.06638	5.3
216.08804	2.0
217.07303	4.7
218.08200	1.4
221.52264	1.2
227.08209	1.4
228.10345	3.1
229.09726	10.3
230.56718	1.3
231.09125	1.9
231.11317	21.4
243.11221	2.0
244.18626	1.4
246.11331	13.4
253.09726	4.0
270.10068	2.4
271.10876	33.9
271.31482	1.3
272.11548	1.5
273.12491	1.5
289.12131	1.4
312.10767	2.3
328.10254	2.5
339.05090	2.2
346.11435	5.0
390.10153	2.0
397.13831	5.4
408.16522	2.2
409.20221	1.5
426.17752	2.2
433.15909	3.8
451.11234	2.5
451.17242	42.0
452.17007	3.7
469.18365	6.2
495.16113	8.5
513.17188	100.0
514.17719	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	513.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	12.7
60.62416	0.5
61.98689	1.2
63.92264	0.6
67.01755	1.1
69.03310	2.5
71.01260	7.3
72.99178	1.7
73.02823	7.8
73.23470	0.6
76.59846	0.6
78.41944	0.6
79.95577	0.9
80.96363	0.7
83.01240	0.9
83.04905	1.1
83.26309	0.6
85.02823	9.5
87.00746	4.0
87.04362	0.9
88.15460	0.6
89.02322	3.3
93.03326	5.5
95.01261	0.9
96.95881	2.2
97.02792	0.7
97.06416	0.7
99.00740	2.1
99.04360	1.4
100.42171	0.7
101.02317	11.0
101.99438	0.8
107.04810	0.6
108.02081	0.5
109.02824	1.3
111.04388	1.6
111.08017	0.7
113.02334	3.2
113.02976	0.6
119.03370	0.8
121.02788	1.8
125.02327	1.5
127.11215	0.7
134.03632	0.9
135.04375	1.7
135.08005	1.7
136.05270	0.6
137.02301	1.2
137.05939	0.8
149.05946	2.6
150.06767	26.7
150.07971	1.3
151.07169	0.9
153.09123	1.3
155.03336	1.1
157.08626	0.7
163.07558	17.9
164.08319	6.7
169.12248	1.7
171.10179	10.5
173.04472	5.0
177.09123	1.3
178.09898	1.4
179.03427	0.7
179.10695	20.1
187.07527	0.8
187.09692	0.6
191.05542	25.3
192.05882	1.4
201.11290	1.8
205.12233	0.9
217.10738	0.7
263.03128	1.0
315.19760	0.9
318.18005	0.7
321.17239	1.2
321.20975	1.1
332.20020	1.7
333.20645	2.5
336.19296	3.5
350.20966	35.2
351.21732	40.3
352.22098	3.0
423.23898	0.9
495.30133	0.8
513.26941	100.0
514.20428	1.1
514.27393	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	513.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	64.2
60.01590	0.6
69.03304	0.6
71.01249	7.9
71.59293	0.6
72.99178	1.2
73.02803	1.0
81.36863	0.6
83.01269	0.7
85.02818	2.2
89.02316	5.1
93.03340	1.0
95.01257	0.9
95.04900	0.7
97.06457	0.7
101.02316	6.0
102.22697	0.5
113.01727	0.6
113.02341	6.5
115.47890	0.5
119.03394	2.2
125.09631	0.9
131.03363	0.9
143.95142	0.6
149.04436	1.6
151.11157	0.7
161.04465	2.5
163.11115	0.6
165.12749	14.0
169.12257	0.9
171.10165	1.0
173.04460	1.3
176.72119	0.6
177.83722	0.6
177.94881	0.6
191.05511	3.7
203.78166	0.6
207.10181	0.6
209.11758	1.8
210.12128	1.0
213.11372	0.9
218.06961	0.6
225.11252	0.8
227.12799	1.3
247.20659	6.9
250.31393	0.7
273.18533	4.0
291.19644	100.0
292.19968	4.2
296.11264	0.7
305.17966	0.7
305.21188	2.4
333.20715	4.1
345.20795	0.8
363.21567	1.1
513.27319	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	513.2703
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
59.01244	7.6
61.98693	1.8
62.60932	0.5
67.01749	1.2
69.03323	1.1
70.26796	2.8
71.01252	5.7
72.99190	0.9
73.02811	2.5
75.00721	0.9
76.75270	0.6
83.01210	0.6
83.04868	0.9
85.02831	5.3
87.00726	2.1
87.04406	0.7
88.26754	0.8
89.02283	2.2
93.03342	4.2
96.95904	1.5
97.06455	1.0
99.00726	0.8
99.04361	1.3
101.02353	3.3
109.02821	1.0
111.04379	2.1
111.08051	0.9
113.02305	2.0
115.00204	0.8
119.03396	0.7
120.99509	2.8
121.02821	1.7
121.06463	0.6
123.04378	0.7
126.25072	0.7
127.03894	0.8
127.11136	1.6
129.01756	0.8
133.02734	0.7
135.04346	1.1
135.08044	1.6
136.05240	0.8
137.02359	0.8
137.05971	1.0
137.09598	0.8
143.10632	0.9
149.05956	4.3
150.06758	76.3
151.07132	1.7
153.09135	0.9
157.08562	1.9
161.04422	1.0
161.09528	0.9
162.06737	0.6
163.06229	1.1
163.07545	15.6
164.08324	18.9
165.01808	0.8
169.12228	1.3
171.08740	1.2
171.10172	21.4
173.04463	3.9
176.08296	0.9
177.09027	1.2
178.09903	2.2
179.10687	50.0
180.10995	1.7
191.05525	21.6
192.05908	1.7
201.11220	1.8
217.10675	1.6
292.20493	1.0
318.18314	2.1
333.20673	7.4
336.19458	8.7
350.20966	13.1
351.21732	76.7
352.22128	3.9
365.23203	0.9
375.21887	3.9
393.22949	1.1
453.23209	1.8
513.26923	100.0
514.27429	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
57.03320	0.2
58.00470	0.3
59.01247	7.0
61.98692	0.9
69.03326	0.1
70.34061	0.3
71.01248	4.7
72.99177	0.3
73.02818	1.0
73.96123	0.1
77.79932	0.1
78.95779	0.1
81.03338	0.1
83.01235	0.6
83.04913	0.2
85.02819	1.1
87.00746	0.6
89.02309	3.5
90.02715	0.1
91.03890	0.2
95.01276	0.3
97.02834	0.2
97.06435	0.1
99.00765	0.3
99.04448	0.1
101.02316	4.0
102.02615	0.1
103.03911	0.1
113.02319	1.8
113.03049	0.1
119.03378	0.9
125.02344	0.1
127.07555	0.3
131.03386	0.2
133.04956	0.3
143.03389	0.4
157.04945	0.1
161.04457	1.8
179.05521	0.6
182.13202	0.1
205.19749	0.2
233.22691	0.3
235.08197	1.0
253.09251	15.5
254.09613	0.6
259.20615	0.3
275.20157	0.4
277.21695	100.0
278.22034	7.2
432.76965	0.1
439.09613	0.1
439.32562	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39246	0.1
53.83743	0.1
55.01753	0.3
57.03317	0.2
58.00470	0.2
59.01247	5.8
60.27200	0.1
70.20576	0.5
71.01249	4.6
72.99200	0.2
73.02802	0.8
78.95788	0.2
83.01262	0.5
85.02824	1.1
87.00755	0.6
89.02312	3.4
91.03859	0.3
95.01252	0.4
97.02817	0.3
99.00755	0.1
101.02320	4.3
103.03838	0.1
113.02321	2.2
115.03923	0.1
119.03416	0.8
125.02374	0.3
127.07610	0.3
131.03406	0.2
133.04947	0.3
134.74840	0.1
143.03354	0.4
152.99416	0.2
157.05000	0.2
161.04463	1.9
179.05499	0.6
205.19777	0.2
233.22716	0.3
235.08130	1.3
241.63815	0.1
253.09244	15.5
254.09589	0.5
259.20667	0.5
275.20114	0.4
277.21698	100.0
278.22040	5.9
299.61145	0.1
361.55542	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	513.358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17908	0.4
50.96296	0.4
59.01247	100.0
60.01591	0.4
69.55074	3.5
71.01265	1.4
85.36797	0.4
89.02320	1.0
101.02341	1.5
113.87971	0.5
128.61571	0.5
253.09265	5.2
259.20743	0.5
277.21692	33.1
278.22052	2.7
279.84946	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	514.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95402	0.2
59.01251	1.8
61.98701	100.0
67.61496	0.2
69.29163	2.1
71.01241	0.2
79.55009	0.2
83.04888	0.3
83.34952	0.2
89.02345	0.3
93.03305	0.4
98.19790	0.4
115.01413	0.2
130.21236	0.2
133.07800	0.2
138.48401	0.2
173.04561	0.2
191.05524	1.2
323.05676	0.5
452.33533	0.9
453.33289	1.3
454.33795	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63715	1.9
58.23448	1.6
59.01243	4.1
63.07234	1.5
67.01749	3.7
69.75491	5.4
69.75921	4.9
71.01250	3.5
75.92715	1.5
85.02819	7.9
86.05687	1.5
87.00732	5.5
89.02306	2.0
93.03334	24.1
98.20481	2.0
101.02305	2.0
107.04869	2.3
111.04375	4.4
133.02786	1.5
135.04414	92.8
137.02368	2.0
155.03387	3.2
161.02332	11.1
162.06891	1.5
173.04466	27.5
179.03413	45.0
191.05544	100.0
195.30829	1.5
281.73633	1.9
341.08716	24.9
353.08725	10.9
395.09845	1.9
515.13965	61.9
516.14325	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	515.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	1.6
70.07153	5.8
76.94998	1.1
85.02821	9.6
87.00745	3.7
93.02840	1.1
93.03331	7.5
98.19864	1.6
109.56037	1.5
111.04362	1.3
127.03918	3.3
133.02881	6.4
135.04410	8.9
135.29779	1.2
141.19666	1.1
160.01584	2.8
161.02339	56.6
173.04454	4.1
176.01053	1.8
179.03409	6.9
191.05528	100.0
192.05853	2.5
237.12524	1.4
323.07684	33.0
324.08026	1.9
341.08832	1.7
353.08640	3.2
515.13971	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	515.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.4
59.09021	1.4
67.01776	2.1
69.03365	1.6
71.01251	10.6
71.57912	1.9
72.99172	10.1
73.02818	9.9
74.49352	1.4
81.03331	1.8
83.04868	6.4
85.02819	11.2
86.77388	1.2
87.00755	4.9
89.02321	9.0
93.03332	41.4
95.01242	1.5
99.00746	4.0
99.04415	4.6
101.02328	5.1
109.02859	3.4
110.00681	1.2
111.04408	19.2
113.02308	2.6
119.03384	3.0
121.60307	1.5
127.03963	2.8
129.01846	1.6
129.05472	9.1
133.02846	4.1
135.04420	37.5
137.02354	9.2
143.03372	1.7
153.01823	3.9
155.03409	27.1
161.02370	18.4
161.04422	1.9
173.04477	87.7
179.03415	26.5
179.05499	4.8
191.05550	100.0
192.05856	2.2
268.41901	1.3
315.07150	3.4
316.49338	1.6
323.07703	13.6
341.11267	27.4
353.08688	13.4
380.26569	1.3
485.88751	1.5
515.14050	39.0
516.14374	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	515.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.7
60.99176	1.3
62.26833	0.9
65.57160	0.9
67.01746	2.6
69.53363	7.3
71.01268	2.2
72.99187	1.3
85.02824	4.4
87.00730	4.4
93.03336	17.0
96.95908	1.1
97.05476	0.8
101.02337	0.9
111.04405	2.7
116.04958	0.9
121.71748	0.9
127.03918	1.8
133.02855	1.6
135.04416	16.1
161.02345	12.4
161.71567	0.9
167.23380	0.8
173.04486	4.2
179.03418	14.9
191.05533	100.0
192.05872	1.8
244.39148	1.0
308.24246	0.9
323.07996	0.9
353.08795	10.1
391.74640	1.1
395.09924	2.3
404.29892	0.9
491.28806	1.0
515.13989	43.1
516.14404	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	515.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.6
67.01772	0.4
68.99661	0.4
69.03323	0.9
71.01247	1.4
71.38322	0.4
78.41541	0.3
80.54449	0.4
83.04889	0.6
85.02361	0.3
85.02818	9.4
87.00758	2.4
89.02312	0.5
90.86214	0.4
93.03334	4.5
96.95893	1.2
97.02783	0.4
101.02335	1.0
109.02824	0.7
111.02906	0.4
111.04414	0.6
113.03471	0.5
117.03342	1.3
127.03876	3.4
132.02090	1.5
133.02855	7.6
135.04420	3.9
137.02368	0.4
160.00575	0.4
160.01598	3.9
161.02345	53.7
162.02666	1.5
163.03792	0.4
167.07025	0.4
171.02924	0.7
173.04492	1.7
175.86679	0.5
176.01059	1.8
179.03386	3.4
191.05528	100.0
192.05865	1.8
198.95992	0.5
323.07693	38.4
324.08078	1.2
341.08716	1.3
353.08682	3.6
515.13989	28.5
516.14209	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	515.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	11.5
60.36305	1.7
61.16153	1.7
71.01254	8.7
71.33348	2.0
71.57652	2.9
72.99175	9.7
73.02819	12.1
73.39500	1.6
83.04884	3.5
85.02835	5.6
85.06461	3.2
89.02328	11.5
93.03334	33.2
98.89062	2.1
99.00750	3.9
99.04410	2.1
101.02327	4.2
109.02862	2.5
111.04394	21.1
119.03379	4.9
129.05458	16.1
135.04425	17.7
137.02397	9.0
143.03419	3.5
155.03397	36.3
156.03830	2.0
161.02335	8.9
161.04474	3.0
173.04462	100.0
179.03477	10.2
179.05476	7.6
191.05544	51.3
323.07742	5.3
341.10995	36.9
353.08749	7.4
364.94260	1.8
515.14142	23.2
516.15234	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	515.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33690	0.7
55.59373	0.6
57.03309	1.0
58.00447	0.8
59.01247	27.1
61.98688	0.8
67.01765	0.9
69.03326	0.9
69.58731	2.4
69.59166	2.3
71.01246	12.9
72.88633	0.7
72.99160	2.5
73.02812	7.6
75.00732	0.8
79.97683	0.7
85.02816	6.2
85.97289	0.7
85.99928	0.7
87.00736	4.5
87.04402	0.8
89.02306	8.4
93.03333	3.7
96.95876	5.4
97.02895	0.9
101.02323	13.3
102.49149	0.7
103.03876	4.9
103.05407	0.9
109.02834	1.0
111.04356	0.8
113.02341	2.0
115.03901	1.5
119.03389	3.2
119.04863	0.8
125.02353	2.3
127.03893	1.8
128.53879	0.7
131.03378	2.7
131.04886	1.2
131.21085	0.7
135.04396	2.2
137.02347	0.9
143.03368	2.2
145.04974	1.4
147.04411	100.0
148.04771	2.2
161.03444	1.1
163.06024	13.5
173.04453	4.8
179.03412	1.3
191.05536	16.9
199.13339	1.8
203.07071	1.2
205.07042	5.1
205.08679	0.8
225.46384	0.7
251.07092	3.1
265.93304	0.7
279.06680	1.1
299.12781	0.7
307.10229	1.7
323.05557	6.7
353.09052	0.8
455.15576	1.3
460.55270	0.7
497.16568	0.9
515.18262	6.3
516.18231	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	515.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.6
59.01249	49.5
60.30666	1.7
60.99201	2.2
61.98708	2.5
69.03331	12.8
71.01257	24.0
71.58492	2.0
71.58988	2.5
72.99182	4.2
73.02827	10.7
75.00776	2.3
78.95776	2.1
81.03343	2.0
83.01267	3.3
85.02822	22.4
87.00740	4.6
89.02317	10.4
93.03339	17.7
95.04884	2.2
96.95896	5.2
97.02833	4.2
97.06462	2.4
99.00701	1.9
99.04412	2.2
101.02308	15.7
108.02075	1.8
108.20073	1.8
111.04422	4.6
113.02322	27.7
115.00275	2.0
117.01892	1.7
119.03383	5.0
121.02834	3.0
127.03841	1.9
128.40431	1.8
133.02837	3.5
133.52016	1.8
134.03595	3.7
135.04402	11.6
135.08044	8.3
137.02325	3.0
143.03430	2.0
152.75337	1.7
155.41750	1.8
161.02437	2.1
161.04515	2.1
170.09019	1.9
173.04500	21.3
178.02658	2.2
179.03378	12.4
191.05528	64.6
192.05969	3.1
207.10164	3.0
225.11275	3.2
251.16583	11.5
293.17499	3.2
311.12872	1.9
327.41290	1.8
353.08649	10.0
411.20380	3.5
429.21259	10.5
429.67679	2.2
455.19263	2.1
461.20255	3.6
471.22333	100.0
472.22726	8.7
497.16937	3.0
497.31604	2.7
515.33124	17.9
516.18866	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	515.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05368	0.4
59.01249	100.0
60.01587	0.4
60.99145	0.3
61.98708	0.5
69.03320	2.2
71.01255	5.6
71.04894	3.7
71.22330	0.7
73.02833	0.6
74.17927	0.3
78.73907	0.3
80.08056	0.3
83.01235	0.5
85.02819	2.0
87.00750	1.2
89.02325	0.6
89.05985	0.5
93.03338	3.3
99.00742	0.4
99.04450	0.4
101.02331	0.8
111.04406	0.5
113.02348	1.3
121.02831	3.7
134.03612	1.0
135.04442	0.5
137.59621	0.4
149.09663	0.5
165.01935	0.5
173.04465	3.2
173.05888	0.6
177.09055	0.8
177.28993	0.4
191.05534	11.9
192.05928	0.8
199.07581	0.7
206.92723	0.4
209.11853	0.5
221.08130	15.0
222.08629	0.4
229.14317	0.6
237.07701	1.1
291.08719	1.3
309.20676	0.4
341.14111	0.9
381.11880	7.5
382.12448	0.7
438.42758	0.4
470.42441	0.4
515.29315	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	515.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01579	1.1
62.62686	0.4
67.01769	0.6
69.73566	2.5
71.01247	8.8
71.04879	0.7
73.02821	1.2
83.01280	0.4
85.02822	2.7
87.00774	1.2
89.02316	1.3
89.05947	1.0
93.03319	2.9
95.01311	0.6
97.06460	0.5
99.00749	0.6
101.02325	2.9
111.04449	0.5
111.97050	0.4
113.02347	1.8
119.03426	0.6
121.02859	2.5
124.01683	0.4
125.02331	0.7
134.03658	0.8
135.04430	0.5
137.02277	0.5
143.03426	0.5
143.43669	0.4
161.04523	1.0
165.01913	0.5
171.10190	0.4
172.38039	0.4
173.04480	2.3
175.82428	0.4
191.03806	0.3
191.05513	9.2
191.07106	0.7
192.05907	0.6
201.05623	0.6
220.07199	0.4
221.08067	1.9
233.10284	0.7
237.07687	0.7
291.08743	0.8
341.14246	0.5
381.11823	7.2
382.12314	0.8
389.28946	0.5
402.46976	0.5
457.26877	0.4
467.79385	0.5
515.27594	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44948	0.3
55.01750	0.5
57.51917	0.3
59.01249	5.6
61.98679	0.3
71.01250	4.3
71.35959	0.4
71.36282	0.5
73.02835	0.8
73.74934	0.3
78.95776	0.7
85.02812	0.8
87.00740	0.5
89.02312	3.3
95.01266	0.4
101.02313	4.0
113.02339	1.5
119.03379	1.0
119.63586	0.3
133.04932	0.5
133.07649	0.3
147.51610	0.3
152.99500	1.0
155.41550	0.3
161.04480	1.6
206.72110	0.3
219.95139	0.3
225.52214	0.3
235.08116	1.2
235.57274	0.3
253.09248	13.2
261.22260	0.4
276.04587	0.3
279.23270	100.0
280.23627	7.6
365.44473	0.4
411.15372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46258	0.1
55.01747	0.3
57.03279	0.2
59.01248	5.6
71.01246	3.9
72.01593	0.2
72.99218	0.2
73.02813	0.8
73.79656	0.1
78.95770	0.3
80.01205	0.1
83.01250	0.6
85.02817	1.2
87.00749	0.5
89.02316	3.2
91.03860	0.3
95.01297	0.3
97.02838	0.2
99.00743	0.3
101.02313	3.9
113.02316	1.7
116.25111	0.2
119.03374	0.8
121.94266	0.2
125.02299	0.2
125.09624	0.2
133.04877	0.3
135.32578	0.1
143.03397	0.3
152.99451	0.5
161.04446	1.6
179.05490	0.4
232.45689	0.1
235.08246	0.9
253.09253	13.2
254.09576	0.4
256.05054	0.1
261.22244	0.4
279.23257	100.0
280.23611	6.7
348.69290	0.2
361.02188	0.1
427.07565	0.1
467.78784	0.2
469.94043	0.2
515.33655	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	517.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66183	0.4
57.03323	0.9
59.01251	16.3
67.01764	1.9
68.99687	5.6
69.03329	7.1
70.31878	1.5
71.01249	11.7
72.99181	1.4
73.02819	1.1
78.84251	0.4
79.70171	0.5
80.92522	0.5
81.03362	0.5
83.01269	0.8
83.04879	1.1
84.48466	0.4
85.02817	4.1
85.06462	12.2
87.00755	1.3
89.02314	4.6
93.03327	2.8
95.01262	29.2
95.04906	0.9
96.01619	0.5
96.95902	0.6
97.02824	1.1
101.02320	11.3
101.05941	0.6
108.02022	0.6
109.02856	0.6
111.00793	1.0
111.04401	0.8
111.52563	0.4
113.02309	1.8
114.99295	0.5
119.03394	1.9
121.02846	5.9
121.06489	0.6
121.62347	0.4
123.00778	1.4
123.04411	21.0
125.02347	0.8
127.03905	1.3
129.01811	0.4
129.05463	1.4
135.04367	0.8
136.01642	0.5
139.78230	0.5
143.03430	0.6
149.02341	9.1
149.05969	1.1
151.03882	2.5
155.03407	100.0
156.03743	1.9
161.04431	0.5
165.02031	0.5
171.03035	0.5
171.06592	0.8
171.10201	1.3
173.04494	1.8
173.08104	1.8
175.03935	1.6
191.05542	12.8
193.01210	0.6
193.05002	6.5
193.06560	0.5
207.06677	0.7
207.77100	0.5
209.08101	1.1
209.49243	0.5
323.11426	5.7
337.12961	2.7
355.10489	0.5
370.38504	0.5
424.50992	0.5
441.17197	0.7
457.20630	0.7
485.16794	0.7
517.19226	75.4
518.19598	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	517.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	2.5
57.72220	1.4
58.00457	2.8
59.01248	68.0
64.52628	1.4
68.99673	1.6
69.03311	3.0
69.54419	8.5
69.54829	2.7
71.01250	84.1
72.99190	6.8
73.02814	10.2
75.00758	1.8
83.01251	4.6
85.02818	16.8
85.06456	3.0
87.00729	9.5
87.05505	1.4
88.03924	3.3
89.02313	100.0
90.02636	2.4
93.03310	3.0
96.95865	4.6
97.02824	6.3
99.00746	5.0
101.01687	2.8
101.02322	45.0
101.57148	1.3
104.75732	1.3
108.90167	1.5
111.00756	3.4
113.02329	16.2
119.03378	5.3
119.21639	1.3
125.02334	13.8
125.05944	1.9
129.01817	2.2
131.03387	45.4
131.04384	2.8
131.07036	16.3
136.05182	1.5
138.06752	8.3
139.07501	3.6
143.03300	3.4
149.03276	2.6
149.04459	52.0
151.07507	8.5
152.08334	30.0
153.05453	3.5
153.09126	26.8
161.04489	3.5
163.11154	4.4
165.09137	1.5
167.06992	1.7
173.04546	2.4
179.05563	1.8
182.14250	1.4
191.05525	40.2
205.12267	55.4
206.12619	1.8
209.11766	2.4
223.13249	4.5
225.05873	1.6
233.06631	4.5
293.08728	10.3
365.14413	2.2
385.18893	6.8
499.19165	1.6
517.22845	68.2
518.23126	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	518.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08752	3.3
59.01248	59.2
69.47171	11.3
69.47594	18.5
71.01252	66.9
72.04428	6.1
72.99187	5.7
73.02805	11.3
74.01962	6.2
74.02346	64.0
75.00737	8.1
81.03333	4.4
83.01244	4.1
85.02826	19.3
87.00729	5.4
89.02315	70.3
93.03341	4.7
95.01230	3.6
96.95886	7.5
101.02312	45.9
107.81016	3.6
111.00726	3.8
113.02313	11.5
116.03423	100.0
116.06935	3.8
117.02912	3.8
119.03374	5.9
125.02320	6.4
131.03397	21.9
135.04462	3.8
143.03340	4.1
146.06033	19.0
149.04472	47.6
155.03381	7.2
159.02791	4.6
161.04459	15.3
173.04474	4.3
191.05548	28.0
308.11395	25.3
313.11630	3.5
371.65338	3.9
383.41989	3.5
440.15353	5.9
519.16272	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	519.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26660	1.0
55.01746	1.8
57.03335	1.2
58.00462	3.1
59.01250	73.3
67.01740	1.5
68.99691	1.5
69.03323	14.8
71.01250	40.6
71.58908	1.5
72.99187	3.4
73.02811	17.8
75.00754	2.3
81.03333	4.3
83.01263	4.1
83.04895	1.4
85.02820	19.2
86.02368	1.4
87.00754	11.3
88.13035	0.9
89.02317	25.6
91.01762	9.9
93.03316	12.7
95.01260	5.2
96.95889	7.5
97.02834	8.2
99.00756	4.4
101.02319	35.4
101.52113	1.0
103.03894	21.1
107.04891	2.8
108.02026	1.3
113.02333	5.8
115.03898	1.4
119.01286	3.6
119.03383	11.5
121.02834	12.6
123.04404	2.0
125.02341	28.1
127.03913	5.9
131.03412	2.5
133.02840	1.4
135.04436	2.2
136.01595	1.4
137.02324	11.0
143.03395	3.7
145.04941	4.0
151.03912	100.0
152.04265	2.1
155.03386	7.1
161.04478	1.2
163.06027	23.9
185.00787	7.1
191.05533	9.1
209.11856	1.5
247.08272	6.5
307.10300	15.9
308.10312	1.3
427.12546	2.9
519.16833	9.4
519.24194	1.6
520.18054	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.8
59.01245	4.9
59.71720	0.6
59.73471	0.6
67.01758	28.1
68.99700	3.5
69.03326	4.4
69.36520	0.8
70.08010	1.7
70.08398	1.4
71.01253	4.7
71.08543	0.7
73.02817	2.1
80.37277	0.7
83.01233	1.0
85.02831	1.2
89.02330	3.2
95.01259	5.8
96.95902	1.1
97.02839	2.4
101.02319	6.2
103.03960	0.7
107.04924	0.9
112.01571	1.0
112.11655	0.7
113.02350	0.9
115.19572	0.7
117.92741	0.7
121.02836	3.5
123.04403	4.5
127.03899	100.0
128.04214	2.0
131.03404	2.8
135.04454	1.4
135.09335	0.7
137.02341	0.9
147.04410	1.0
149.02357	4.7
155.03400	15.0
175.06052	3.9
191.05496	2.4
191.26706	0.7
195.06660	0.8
216.39063	0.8
235.83124	0.8
287.07693	34.7
288.08047	1.1
325.09314	1.9
441.97513	0.8
487.14645	1.1
519.17157	64.4
520.17804	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	519.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	19.4
67.01763	21.7
68.99680	8.3
69.03320	24.0
71.01261	16.6
71.04885	7.6
71.36163	3.8
72.99170	4.7
73.02807	11.1
75.00745	4.1
83.01230	2.5
84.05132	1.9
85.02825	5.2
87.04372	3.2
88.00244	1.7
89.02320	9.8
89.59962	1.7
92.98340	1.7
93.03331	7.1
95.01256	18.6
95.04905	3.6
96.95905	5.7
97.02819	4.0
101.02327	20.7
103.03851	1.7
111.04401	2.5
111.86604	1.7
113.02342	5.3
115.03896	54.0
119.03360	2.6
121.02847	6.4
123.04408	13.9
127.03898	93.1
131.03384	5.9
139.03902	12.0
141.01796	2.5
149.02402	3.2
155.03395	50.8
157.04976	5.1
165.05544	2.5
173.04491	2.0
175.03903	2.0
175.88174	1.8
181.05042	2.3
183.02916	2.5
191.05550	11.6
224.80331	1.6
287.07681	29.0
315.13400	1.9
325.09283	5.5
339.08447	2.1
443.35266	2.0
447.15012	20.8
519.17151	100.0
520.17444	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	519.187
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03310	1.4
58.00481	2.4
59.01248	48.3
60.60032	1.0
69.32401	10.9
71.01249	38.4
72.99181	2.7
73.02818	2.1
74.39015	1.1
75.00733	1.7
83.01266	2.1
84.01997	1.1
85.02805	9.8
87.00752	5.4
88.03275	1.1
89.02312	45.1
91.78506	1.0
92.23185	1.0
93.03318	3.3
95.01254	3.1
96.95886	2.4
99.00713	1.5
101.02317	17.4
108.02027	5.6
113.02332	15.7
119.03386	15.8
121.02836	5.6
122.03615	3.0
123.04408	5.0
131.03383	2.7
133.02788	1.4
134.03632	1.5
135.04385	1.2
136.01556	62.3
137.02292	4.0
143.03404	3.9
148.40773	0.9
149.04459	1.9
151.03914	99.8
152.04219	3.0
159.04486	1.2
160.05162	2.4
161.04507	5.5
163.03871	1.3
173.04494	1.7
175.02472	1.0
175.03973	1.2
175.07533	2.0
176.66879	1.2
177.05472	1.3
179.03427	1.0
179.03946	1.0
179.05544	10.7
187.03955	1.5
188.04813	1.2
191.05528	15.9
192.05968	1.5
203.07095	7.1
204.39619	1.0
231.57187	1.0
279.06580	2.7
281.08087	1.1
294.08942	1.2
309.11267	4.4
311.12936	1.1
339.12347	9.4
342.11102	5.1
357.13416	100.0
358.13672	8.3
421.01935	1.1
501.17493	1.6
519.16461	1.5
536.64734	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	519.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.7
71.19872	0.6
76.03026	0.3
78.95771	51.4
79.40791	0.2
90.92622	0.2
96.95902	0.4
96.96831	5.0
107.59003	0.2
150.97862	1.6
152.99481	100.0
153.99826	1.1
171.00546	4.2
195.93965	0.3
198.45496	0.3
242.41681	0.3
273.12256	0.3
365.26712	0.5
370.58948	0.3
519.27197	12.5
520.27557	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	519.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01248	100.0
60.01582	0.7
61.98721	0.7
63.96097	1.9
69.03319	0.7
69.52837	3.3
69.53243	1.3
71.01250	8.2
72.99186	2.0
73.02823	2.3
75.00746	3.2
75.79052	0.6
81.03345	0.8
83.01276	0.9
83.04879	0.8
85.02817	5.0
87.00746	5.3
87.04418	0.7
89.02313	4.1
93.03342	3.3
95.01265	1.1
96.95901	1.7
98.19801	1.3
99.00771	1.8
101.02320	4.7
105.03336	0.6
109.02834	4.2
111.00737	0.7
111.04333	1.0
113.02342	5.3
115.00285	1.4
117.97192	3.0
118.97982	0.6
119.03426	1.5
120.99580	1.2
121.02889	1.4
122.61273	0.6
123.04396	8.1
125.02342	0.7
128.03461	0.7
131.03493	0.9
131.04887	1.0
133.02863	1.2
134.03665	0.9
135.04420	2.6
135.86603	0.6
135.98238	3.9
137.02354	1.7
147.02910	0.6
147.04475	0.9
149.05988	2.2
161.02406	1.1
161.04518	1.9
163.03888	0.8
165.03993	0.7
173.04451	3.5
175.02423	1.8
177.01880	1.1
189.05452	0.7
191.05518	17.1
192.05908	1.4
203.03348	0.8
205.05208	0.8
207.02966	1.3
208.69626	0.7
219.07765	2.3
233.04529	0.9
255.19510	0.8
283.13583	0.9
298.03540	0.8
311.09729	1.3
311.13150	1.0
318.71085	0.8
327.16113	1.4
353.14081	1.6
357.09763	15.2
358.10114	1.5
371.14972	1.5
399.23859	12.1
400.24191	1.2
417.24872	3.2
423.75403	0.7
459.26273	2.9
519.15356	1.0
519.23425	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	519.3173
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
51.38395	0.3
51.45353	0.3
55.01752	1.3
57.03325	1.4
58.00471	0.8
59.01249	58.6
60.01579	0.3
69.03322	0.4
71.01251	13.3
71.04881	0.5
71.14434	0.4
72.99182	1.1
73.02814	5.1
75.00734	2.0
79.16212	0.3
81.03322	0.4
83.01251	2.8
85.02824	8.1
85.99995	0.8
87.00747	3.7
89.02316	1.9
93.03352	1.0
95.01283	1.0
96.95874	0.5
97.02840	0.4
97.06506	0.5
99.00760	2.0
101.02316	12.7
103.77248	0.4
111.00774	1.0
111.04418	0.4
113.02323	5.4
113.03065	0.5
116.41657	0.3
129.01837	1.1
137.02341	0.5
143.03378	0.5
147.02911	1.3
147.06497	0.4
158.03685	0.4
159.02901	0.8
159.04388	0.7
161.04463	2.4
165.03928	1.4
173.04446	1.0
173.05843	0.4
175.07639	0.5
179.05463	0.5
186.06743	0.9
187.07542	0.5
191.05544	4.6
200.04732	0.4
201.05562	1.0
201.09219	0.6
209.11781	0.4
214.06367	1.5
215.07083	1.4
227.07332	0.4
229.08615	1.7
230.09224	0.4
256.07285	0.4
274.08896	0.3
279.23364	1.3
297.57010	0.3
307.19580	0.3
311.12759	0.4
315.19757	0.4
315.61444	0.4
339.25232	0.4
357.26456	2.8
371.14954	1.2
425.44687	0.3
441.28568	4.3
442.28778	0.5
459.29941	1.5
459.45288	0.4
501.30652	0.9
504.21185	0.6
519.31726	100.0
520.32098	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	519.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.7
57.03326	1.3
59.01249	64.3
60.01583	0.7
71.01254	16.4
72.99166	1.3
73.02814	5.3
75.00745	3.0
83.01254	2.6
85.02821	9.2
87.00740	6.0
89.02318	2.0
93.03331	2.8
95.01254	1.1
99.00750	3.1
101.02327	9.6
111.00782	0.7
113.02319	5.1
123.04385	0.7
129.01823	1.8
131.03400	0.7
134.28412	0.7
135.04442	0.7
147.02914	2.6
147.06468	1.0
159.02907	1.0
161.04422	2.3
165.03926	2.8
173.04514	1.2
173.05994	1.3
186.06781	1.7
187.07579	1.4
191.05515	9.6
201.05605	1.3
214.06291	2.6
215.07050	3.0
229.08592	3.1
230.09373	1.2
274.08502	1.1
279.23242	1.3
310.60281	0.7
311.13089	0.8
315.19614	1.3
327.15955	1.0
341.13968	0.7
353.13712	0.9
371.14905	1.7
441.28586	2.7
459.29483	2.6
467.72729	0.8
501.31027	0.9
519.31732	100.0
520.32092	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	519.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57159	1.0
57.03323	1.4
59.01245	7.9
62.56940	1.0
70.55589	1.0
71.59097	1.4
71.59511	1.0
78.95374	1.1
78.95763	6.7
83.04882	4.6
84.02031	2.0
96.95850	2.4
107.08514	1.7
132.84827	1.2
139.11197	3.5
152.99507	9.7
163.11229	4.0
165.12755	3.2
167.10602	2.2
185.11743	1.4
209.11768	88.5
210.11945	2.5
213.11276	1.6
227.12843	13.2
240.13550	1.9
247.20668	1.5
251.92741	1.3
291.19675	30.0
292.19916	1.8
309.20691	100.0
310.20966	5.2
323.63620	1.2
375.56540	1.3
483.31384	1.6
501.32275	1.9
519.32660	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	519.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
69.40322	8.8
69.40750	14.5
71.01263	2.5
87.00722	3.7
93.03342	2.6
108.35694	2.3
113.24523	2.8
139.18988	3.1
139.94443	2.7
147.06462	3.1
173.05888	2.7
181.02440	2.8
187.07701	3.0
191.05524	11.0
201.05504	3.6
290.98853	2.8
371.15125	3.4
469.41208	3.0
519.33191	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	519.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38061	20.6
54.79155	20.8
55.16977	19.2
59.01251	100.0
63.39547	18.7
70.92355	61.2
71.01261	28.3
76.34557	22.3
78.95803	44.6
82.63401	23.0
82.69288	23.8
85.02840	20.3
113.57218	23.5
135.01962	26.4
152.99509	43.7
165.94148	24.6
191.05557	92.0
347.15045	25.7
519.32672	28.5
548.98596	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	519.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48871	1.0
54.15313	0.9
59.01249	100.0
61.09412	0.9
67.25507	1.1
69.74419	3.7
69.74840	3.3
78.95763	5.3
98.19878	1.8
102.93054	1.0
117.59514	1.4
118.78788	1.0
126.32899	1.0
152.99500	9.9
167.45528	1.0
190.99797	4.2
191.03320	1.4
206.02119	4.1
209.11801	5.8
227.12840	7.0
285.67859	1.2
291.19623	4.7
297.14996	1.3
309.20627	9.0
311.21973	1.4
313.17953	7.2
330.14847	1.2
519.19958	1.3
519.32849	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	520.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71846	0.2
59.01265	1.1
61.98717	0.3
62.96275	0.2
63.66819	0.2
71.01222	0.3
71.58620	0.3
78.95770	44.7
94.05514	0.2
96.95891	0.4
96.96836	6.6
98.06086	0.2
98.47640	0.3
101.02281	0.3
118.77449	0.2
121.02821	1.7
122.03188	0.4
133.49194	0.2
135.04391	1.0
136.04764	0.3
150.97943	1.7
152.99480	100.0
153.99850	1.1
170.99197	0.4
171.00562	4.7
240.02727	0.3
240.67790	0.2
279.23190	1.3
314.07614	0.3
315.64792	0.2
358.29987	0.4
433.23560	21.5
434.23837	2.1
489.35172	0.2
520.26807	4.4
520.34302	0.5
521.33679	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	521.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10509	0.6
58.40558	0.7
59.01239	0.8
71.06430	1.7
72.54070	0.7
97.06449	0.8
107.04908	1.5
109.02835	1.3
123.04376	1.1
124.01471	0.9
125.02293	5.3
125.05962	2.3
135.04430	2.2
137.02345	14.5
138.03154	4.4
145.42339	0.7
151.03882	3.2
152.04697	6.8
153.05475	81.7
154.05856	1.7
179.03421	26.2
180.03882	0.8
197.04480	99.9
198.04819	3.6
203.54948	0.8
341.08847	1.6
359.09811	100.0
360.10123	4.6
383.29352	0.7
445.13177	0.8
521.15076	70.7
522.15173	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	521.1659
Annotation	Albidoside
Peak:m/z	Relative Intensity
55.01754	0.5
57.03319	0.8
58.00451	0.4
59.01250	9.5
69.03330	4.1
70.77142	1.4
71.01250	5.8
72.99181	1.1
73.02821	1.2
75.00732	1.2
81.03317	0.8
83.01230	0.4
83.04884	0.5
85.02821	2.9
87.00739	2.4
89.02319	4.9
90.27998	0.4
93.03329	3.1
95.01274	0.7
96.95858	0.5
97.02818	0.4
97.06463	0.6
99.00749	0.6
99.04369	0.8
101.02318	4.1
107.04855	0.5
109.02863	0.5
111.04391	0.6
113.02313	1.9
115.00243	0.7
117.03333	4.9
117.97199	1.2
119.04910	58.3
120.05225	2.0
120.99506	1.3
121.02831	0.6
121.06472	0.7
125.02325	1.3
131.03400	0.7
133.06488	0.9
135.02904	0.4
135.04413	0.5
137.02313	0.8
139.07463	0.5
145.02847	17.2
146.03180	0.6
149.04489	1.4
149.05981	0.4
151.07553	1.3
159.04509	0.4
161.04451	0.6
163.03911	100.0
164.04257	4.0
171.10225	0.7
172.03879	0.5
173.04498	2.6
177.05432	0.7
179.05528	0.7
191.05528	11.6
192.05940	0.8
195.06578	1.0
215.07004	0.5
230.09488	0.4
245.45879	0.5
253.38031	0.5
283.13474	0.5
293.12094	0.6
307.02344	0.4
311.12811	0.7
315.12405	0.7
327.16031	0.6
329.13675	0.5
375.12939	3.5
441.30322	0.4
503.18835	0.5
521.29932	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	521.1879
Annotation	Asystasioside A
Peak:m/z	Relative Intensity
51.20882	0.6
56.22131	0.6
58.00437	0.9
59.01249	17.6
59.62672	0.5
68.99687	1.1
69.67316	4.1
71.01253	12.1
72.99181	1.3
75.00745	0.7
78.07498	0.6
83.01228	0.6
83.04895	0.7
85.02825	2.9
87.00748	6.1
89.02315	10.0
93.03319	1.8
95.01262	2.3
96.95872	1.5
101.02332	8.0
104.97498	0.6
105.20235	0.6
108.46501	0.6
109.06471	16.2
110.06818	0.6
113.02316	4.6
115.61931	0.6
117.06981	0.9
119.03390	2.5
119.04903	0.6
131.03365	0.8
132.04440	0.6
135.08051	58.3
136.08382	1.6
153.09113	40.3
154.09496	1.3
155.03395	6.1
161.04356	0.7
165.66893	0.6
166.15547	0.6
179.07013	2.1
191.05545	1.8
197.08121	70.9
198.08440	2.1
205.50696	0.6
239.08966	0.7
250.15514	0.6
253.13428	0.6
297.12357	1.3
342.77371	0.7
355.13000	2.1
359.13449	100.0
360.13867	7.4
399.11984	2.2
409.46713	0.7
431.14673	4.4
461.15533	0.7
511.05328	0.6
521.18048	3.9
521.25934	1.2
522.17902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2023
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01768	2.6
57.03312	1.8
58.00462	1.5
59.01249	35.7
69.03323	0.8
69.58627	3.5
71.01250	24.0
72.99172	2.2
73.02814	4.1
73.46149	0.6
75.00739	1.0
83.01247	3.5
85.02824	8.6
86.50700	0.5
87.00745	1.8
89.02316	11.6
93.03304	0.6
94.76922	0.5
95.01238	2.5
99.00743	1.4
101.02319	15.6
108.02034	1.0
109.02829	10.0
113.02332	7.6
119.03377	6.0
123.04377	1.3
125.02324	0.6
131.03442	0.5
143.03427	0.8
149.04437	0.6
153.09097	0.6
159.03185	0.7
159.04373	3.7
161.04483	0.6
172.05151	1.3
173.05969	3.9
179.05496	0.8
185.06029	0.5
187.07591	1.2
189.05482	3.1
190.06253	0.6
191.05515	2.4
191.07056	1.0
203.07057	1.6
240.04207	0.5
241.04996	6.8
253.05038	1.5
255.06638	4.1
256.07141	0.6
263.06912	0.5
267.06619	1.2
268.07410	1.0
269.08240	1.2
279.06400	0.8
281.08139	2.4
283.09692	1.2
295.09763	2.0
296.10364	0.8
298.10773	2.0
298.13791	0.6
299.09079	4.4
311.09308	4.5
311.12540	0.9
313.10773	6.4
325.10712	0.7
326.11514	2.9
327.12314	1.0
329.10226	3.0
341.10141	0.9
341.13791	4.3
343.11771	0.9
344.12595	17.6
345.13071	2.0
359.14978	60.8
360.15320	4.9
478.17233	1.3
521.20221	100.0
522.20636	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.4
64.53175	0.2
69.53136	1.9
71.01247	3.4
73.02827	0.5
74.98981	0.3
85.02837	1.1
87.00739	0.4
89.02323	0.7
93.03325	0.6
95.01267	0.4
96.95893	0.3
101.02320	1.6
109.02824	0.7
113.02312	1.0
121.02822	3.7
122.03638	1.6
123.00764	0.8
123.04372	0.7
124.01540	0.7
129.00034	0.2
135.04420	0.6
136.01468	0.3
136.05177	1.3
137.02335	1.0
137.05975	0.6
139.03918	0.3
143.04906	0.7
145.02867	0.4
146.03610	0.4
147.04404	2.2
149.02385	1.9
149.04382	0.3
149.06056	0.3
150.03127	6.1
151.03812	0.9
152.03398	0.5
153.03865	0.2
153.05479	0.5
158.03645	2.8
159.03008	0.3
159.04420	8.2
160.05203	30.1
161.04449	0.9
161.05975	8.5
162.03136	0.4
162.06404	0.4
163.03911	6.4
164.03416	0.5
164.04697	6.5
165.05385	0.3
168.04141	0.3
173.04547	0.4
173.05957	3.4
174.06741	0.4
175.07555	27.9
176.04724	0.7
176.07875	1.4
176.63046	0.3
177.05489	8.9
177.07060	0.4
178.06258	8.4
179.06589	0.4
191.05556	2.1
191.07025	0.4
192.06210	0.3
192.07745	1.3
193.08627	2.9
269.08118	0.3
283.09967	0.4
299.12610	0.4
311.09375	0.5
314.11624	1.4
329.13919	100.0
330.14230	7.4
331.11658	0.2
341.14008	0.4
359.11188	0.6
359.15018	2.4
360.15164	0.3
521.18402	0.4
521.26038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.8
55.61084	0.7
57.03329	2.0
58.00463	4.8
59.01248	100.0
60.01586	0.8
62.55800	0.6
69.03302	0.7
69.48310	0.6
71.01250	71.8
71.59557	1.2
72.99184	4.8
73.02819	2.1
75.00784	1.0
83.01240	3.5
85.02822	10.8
87.00748	4.9
89.02312	89.2
90.02631	0.9
94.61571	0.7
95.01268	3.6
99.00746	0.9
101.02317	38.5
108.02081	2.0
109.02840	2.4
113.02328	26.4
119.03384	36.4
121.02840	2.4
122.03648	0.8
123.04370	1.2
125.02313	0.8
131.03398	10.8
135.04369	1.3
137.02336	1.2
143.03413	6.6
149.04459	17.0
153.09142	0.8
154.41585	0.7
158.03685	1.1
159.04468	3.2
160.05183	6.5
161.02335	0.8
161.04495	5.6
161.06015	2.5
163.03891	0.8
165.01265	0.7
171.04430	0.7
172.05217	4.1
173.04556	1.1
173.05997	2.8
175.07611	2.1
179.05519	16.2
187.07664	1.6
189.05450	6.1
190.06233	6.7
191.05534	9.6
191.07123	0.9
205.08606	5.5
218.83725	0.7
225.11389	0.8
238.16879	0.8
281.08347	1.9
295.09903	1.2
296.10641	4.4
311.09604	1.3
311.12939	3.9
329.14001	2.0
341.13916	27.1
342.14429	1.8
521.19220	3.6
521.26318	2.9
522.20624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01754	2.6
57.52145	2.4
59.01251	20.1
65.40958	2.1
69.54910	17.2
71.01260	13.0
82.90843	2.3
83.01254	3.0
85.02849	5.5
87.00726	3.0
89.02313	5.2
101.02315	8.6
113.02349	3.5
121.00488	2.4
121.02818	2.9
122.65149	2.1
125.36707	2.2
126.10409	2.0
131.57121	2.3
152.21605	2.2
191.05620	4.0
256.76346	2.1
267.06573	3.1
268.07382	4.3
269.08078	5.3
271.09451	2.4
281.08102	7.8
283.09647	6.5
294.08948	3.5
295.09720	3.8
299.09113	3.5
306.97501	2.4
308.45038	2.1
311.09384	3.4
314.11591	8.5
315.12057	3.1
316.60788	2.2
318.44315	2.2
326.11603	8.7
327.12262	6.2
329.13843	10.0
341.13925	9.2
343.11844	2.6
355.11896	5.9
473.14371	6.7
476.16693	6.6
488.16724	7.0
491.19189	90.7
492.19623	7.6
503.19235	100.0
504.19415	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	521.2026
Annotation	trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.02415	1.3
55.01768	2.7
58.00448	2.2
59.01250	37.1
69.03321	2.1
69.66607	8.8
69.67017	3.0
71.01249	28.3
72.99171	3.9
73.02823	6.8
73.25992	1.4
75.00745	3.8
79.34545	1.4
81.03334	1.7
81.17292	1.3
83.01251	4.9
85.02813	13.6
87.00745	8.9
89.02310	14.4
93.03313	7.8
97.02825	2.4
97.23811	1.5
99.00758	4.3
101.02311	16.3
102.80264	1.6
103.63137	1.5
109.02854	2.3
109.06491	6.2
111.00716	2.8
112.17880	1.7
113.02292	8.2
119.03389	2.8
121.02836	5.6
127.03905	2.2
129.01840	1.9
131.03369	2.0
135.04413	5.2
145.02855	3.5
149.04549	1.9
151.00313	1.8
151.03819	1.6
154.07751	1.4
159.04408	2.9
161.02315	3.5
161.04475	2.4
162.49083	1.4
163.11172	1.6
172.05234	1.7
173.04460	6.0
179.03482	1.7
191.05547	38.0
192.05867	3.0
200.18723	1.5
207.10184	15.9
225.11284	7.9
229.57320	1.5
253.09129	5.0
255.06396	2.0
263.06989	1.8
265.08643	2.6
267.06577	3.7
268.07352	3.7
269.08160	4.4
270.08975	2.1
281.08237	11.2
282.08920	4.4
283.09756	6.9
293.08133	3.9
295.09930	2.5
297.11102	2.3
299.09277	4.1
309.11255	2.9
311.09335	6.0
314.08063	3.6
314.11566	6.7
315.12311	5.8
326.11646	13.3
327.12219	8.8
329.13925	9.2
341.13980	12.7
343.11716	3.7
355.11734	6.0
371.14825	3.6
394.12701	1.8
441.14584	1.9
445.14447	1.7
461.20300	4.6
473.14493	5.2
476.16766	8.9
488.16626	9.7
491.19214	96.0
492.19513	9.0
503.19247	100.0
504.19629	11.2
521.34308	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
55.01756	0.5
59.01249	3.1
61.50501	0.4
68.99684	1.6
69.03333	0.9
69.44813	3.9
71.01257	3.7
72.99173	0.4
73.02807	0.6
75.00748	0.5
83.57380	0.4
85.02821	1.5
87.00740	0.7
89.02306	1.8
89.95084	0.4
93.03313	0.7
94.12897	0.4
95.01260	1.8
96.95870	0.5
98.20612	0.7
101.02305	4.2
108.02033	1.2
109.02834	17.4
113.02314	1.3
119.03388	1.0
123.04446	2.7
125.02322	0.7
135.04315	0.4
137.02332	0.5
147.04463	0.5
153.09068	0.6
155.03407	4.7
158.03624	0.8
159.04417	6.9
161.04466	1.4
161.05823	0.6
173.06004	5.3
175.46620	0.4
189.05487	5.3
190.06194	1.0
191.05553	2.1
191.07085	3.3
197.08157	0.5
201.05571	0.6
203.06995	2.5
204.77965	0.5
213.05467	0.9
225.05580	0.8
240.04240	2.7
241.04994	12.9
255.06624	7.7
256.07123	1.1
267.06622	1.4
268.07248	0.6
269.08310	2.0
273.08975	0.5
281.08099	0.7
283.09683	0.8
289.09277	0.6
295.09875	0.7
298.08310	1.4
299.09198	8.6
300.09576	0.5
311.09341	0.4
313.10806	12.5
314.11105	1.0
327.12439	1.4
329.10254	5.7
343.11847	3.2
344.12616	39.7
345.12869	2.4
359.14984	100.0
360.15326	9.4
421.43964	0.4
439.08005	0.5
521.19122	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	521.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.7
59.01250	46.3
69.03306	3.4
69.61826	2.9
71.01263	24.1
71.59041	4.5
73.02824	10.1
75.00758	5.9
81.03331	3.9
83.01267	6.2
83.04897	5.9
85.02819	18.1
87.00755	14.3
89.02313	16.2
93.03314	12.9
95.04887	6.0
96.95889	8.6
97.02856	7.2
101.02324	25.3
109.06451	31.8
113.02305	12.3
115.00279	3.5
115.23211	4.6
117.68956	3.2
118.98042	4.2
119.03387	4.9
135.04468	6.3
149.04475	4.4
155.00327	3.1
161.02299	13.6
161.04434	4.6
163.11179	23.8
173.04457	9.3
178.76186	3.3
179.03339	4.7
181.12277	10.9
191.05528	61.1
194.05363	3.2
203.60341	3.4
207.08308	6.8
207.10193	91.9
209.11742	3.8
223.13354	7.8
225.11253	42.4
226.11658	5.6
241.14435	100.0
246.86742	3.5
253.09241	31.6
283.13403	3.8
359.14801	4.3
397.24725	4.5
461.20346	39.0
474.53427	3.5
477.23532	10.0
503.21130	3.4
521.19794	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	521.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	3.1
59.01249	96.7
67.01778	2.2
69.03316	8.6
69.34084	18.4
70.38417	2.2
71.01251	76.5
72.99184	5.0
73.02817	10.0
75.00742	3.4
78.90955	1.9
81.03332	2.9
83.01233	2.7
85.02819	12.9
87.00723	9.5
89.02310	93.7
93.03329	14.6
93.15502	2.0
93.58213	1.8
95.01241	3.6
97.02824	8.2
98.19783	3.5
99.04389	3.0
101.02313	22.1
112.04006	2.0
113.02344	17.4
119.03360	5.0
125.02341	21.1
130.27663	2.0
131.03397	30.3
135.04417	2.2
149.04462	45.0
152.83382	1.7
167.10689	100.0
168.11021	2.8
169.06424	2.7
173.04437	6.6
173.05898	2.7
175.03818	2.2
179.03391	3.0
185.00848	3.3
191.03929	3.3
191.05536	41.0
213.05492	7.7
229.08682	2.8
233.06622	5.5
283.13324	2.2
293.08783	50.2
294.08911	3.1
374.40067	2.2
461.24176	2.9
462.89508	2.2
467.62732	2.3
521.33203	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	521.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
58.00456	2.7
59.01247	100.0
68.15604	0.9
69.03337	1.0
69.28379	5.7
69.28807	3.7
71.01249	41.1
71.33923	0.8
72.99158	5.1
73.02814	24.6
75.00751	1.7
76.13797	1.1
83.01261	4.1
85.02814	14.7
85.99981	1.0
87.00748	11.6
87.04390	3.6
89.02308	37.1
93.03311	1.6
96.02058	0.9
99.04392	2.0
101.02317	51.5
103.03881	20.9
103.04542	1.8
111.51140	1.0
113.02322	7.6
115.03189	0.9
115.03901	5.5
117.01819	1.3
119.03384	13.1
125.02369	6.2
125.44069	0.8
127.03897	1.3
129.95099	0.8
131.03418	10.9
135.02893	1.2
143.03400	11.9
145.04948	7.0
149.04471	4.0
161.04413	1.7
163.06018	67.6
164.06371	1.7
167.10669	12.8
173.04446	2.6
179.05530	3.2
191.05495	11.9
192.05894	1.1
205.07098	25.0
213.90727	0.9
265.09238	5.5
293.08859	1.2
307.10492	2.2
315.18216	1.8
360.08264	1.7
368.96832	0.9
439.20093	1.0
461.23987	18.4
462.24109	1.4
521.24091	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	521.2599
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
50.62347	0.3
55.01751	1.1
57.03315	1.4
58.00467	0.9
59.01249	13.5
65.71626	0.4
69.03317	1.0
69.29163	3.5
71.01253	13.4
72.99166	1.5
73.02810	3.4
75.00740	1.6
83.01252	2.6
85.02821	5.6
86.00027	0.4
87.00753	4.9
89.02316	4.7
93.03323	1.4
95.01254	0.5
97.02821	1.0
98.19754	0.8
99.00755	0.7
100.00302	2.2
101.02323	6.9
102.01848	0.6
111.00750	1.0
111.04383	0.5
113.02319	3.2
115.03880	0.6
119.03383	0.8
124.01558	1.3
125.02319	1.5
127.03875	0.5
131.03386	2.8
143.03403	0.6
149.04427	1.1
155.24461	0.5
155.31082	0.4
173.04410	1.4
178.26089	0.4
178.94257	0.4
181.15910	0.6
191.05525	6.8
192.05928	0.6
209.15350	0.8
227.16467	16.2
228.16830	0.8
239.16397	0.6
244.02861	0.8
259.05264	0.9
264.86575	0.6
265.09515	0.5
360.06390	1.7
371.20700	3.1
389.21783	16.2
390.21954	1.3
418.33862	0.4
503.24869	0.9
521.25995	100.0
522.11615	0.6
522.26447	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	521.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52160	2.3
59.01248	4.5
71.01248	2.3
71.59084	3.1
78.95778	2.8
83.66434	2.2
96.95897	3.9
105.03345	11.9
115.34625	2.1
130.66096	2.4
132.02020	3.7
133.01857	3.5
133.02843	47.6
134.03566	7.5
135.04416	5.0
137.02325	2.9
148.05167	3.9
151.80377	2.1
160.01566	27.9
161.02361	24.4
161.05965	3.9
173.84807	2.6
175.03922	80.0
177.01802	4.3
179.03308	2.4
193.04915	6.4
209.11726	3.2
247.09601	4.2
261.11258	3.0
271.22736	10.1
286.59903	2.3
311.22241	15.5
317.17636	2.4
322.21497	2.3
345.20737	4.3
361.27603	3.8
415.24744	10.2
429.26352	25.1
433.26016	4.6
447.27444	41.5
448.27661	6.2
504.28397	2.6
506.28540	4.3
515.26630	2.7
521.31128	100.0
522.31702	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	521.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
57.03316	1.8
58.00429	0.8
59.01249	62.7
60.01580	0.9
61.98710	0.6
67.01730	0.5
68.99727	0.5
69.03326	1.1
71.01250	14.7
71.58762	0.6
72.99173	1.6
73.02822	5.9
75.00748	2.1
78.95773	0.8
83.01254	3.0
85.02817	8.8
85.99943	0.7
87.00748	6.3
89.02322	2.7
93.03321	3.2
95.01257	1.4
97.02797	0.5
97.06476	0.7
99.00732	2.4
101.02316	12.8
109.02849	0.6
111.00766	1.5
111.04383	0.8
113.02334	5.7
117.01842	1.1
119.03421	1.3
125.02369	0.8
125.09593	0.6
129.01823	0.9
131.03400	2.0
133.02818	1.3
134.03690	0.7
135.02884	1.3
135.04456	1.3
136.17891	0.6
137.02388	0.7
143.03490	0.7
143.04541	1.6
149.04472	3.4
149.06015	0.7
158.03598	0.7
159.02975	0.9
159.04361	0.8
161.04445	2.6
172.05333	0.7
173.04462	2.8
173.05983	1.3
175.03954	0.7
175.07527	0.8
177.01917	1.0
177.03326	3.6
186.06702	0.8
187.07562	1.6
188.04448	0.6
189.05573	0.6
191.05554	10.4
192.05978	1.1
193.74144	0.5
200.04831	0.9
201.05653	1.1
201.09160	0.6
203.07115	0.6
208.28709	0.6
211.13345	1.2
214.06322	2.2
215.07079	1.7
229.08601	1.9
230.09444	1.0
231.10176	1.5
238.77548	0.7
243.06621	1.1
246.08894	0.5
247.09689	1.2
248.10443	0.7
299.25955	2.0
327.16037	1.2
345.17221	0.8
371.15039	1.7
383.42172	0.6
389.16034	0.5
413.11368	0.6
461.31296	5.7
503.32071	0.8
521.33264	100.0
522.33636	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	523.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09167	2.2
59.01247	25.0
69.20991	2.9
69.37817	16.1
69.38245	5.3
71.01261	17.4
73.02817	4.9
81.47017	2.1
82.15678	2.1
85.02809	5.8
87.00758	3.9
89.02316	17.9
96.95882	6.8
98.02379	3.3
101.02315	8.6
101.10076	2.1
109.02826	2.5
113.02303	10.2
119.03396	5.0
137.09612	7.0
139.34988	2.1
150.03320	2.1
155.10670	89.5
156.10983	3.0
161.04497	2.3
169.12285	2.8
179.05585	3.7
191.05502	11.8
199.09679	100.0
200.10031	4.5
209.11781	2.3
228.69835	2.1
241.10764	5.3
278.13150	2.2
323.87854	2.2
361.15009	10.6
432.53467	2.5
466.18491	2.5
523.27655	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	523.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84732	0.2
53.43613	0.2
53.68793	0.2
58.79199	0.2
59.01249	1.6
64.68327	0.2
69.03302	0.3
70.04278	0.9
70.66611	0.2
71.01255	1.9
72.99162	0.2
73.02827	0.4
75.00761	0.4
80.96384	0.4
85.02821	0.7
87.00750	0.5
89.02323	0.6
93.03329	1.4
96.95867	0.6
97.02839	0.3
101.02332	1.4
108.02050	0.4
109.02827	3.8
111.04372	0.3
113.02327	0.6
116.03390	0.2
118.91675	0.3
119.03358	0.5
119.04899	0.4
120.99551	0.5
121.02837	13.4
122.03625	11.3
122.04534	0.4
123.00754	0.2
123.04448	1.3
124.01554	1.5
125.02324	0.3
129.03340	0.7
134.03613	0.8
135.04404	1.6
136.01599	0.4
136.05157	0.8
137.02319	2.2
146.03625	0.5
147.04414	5.5
148.05173	0.4
149.05960	0.9
150.03099	0.5
151.00287	1.6
152.01074	0.4
153.01820	0.3
154.02643	1.7
155.10674	0.6
159.03033	0.2
160.05132	0.3
161.04607	0.5
161.05975	1.7
162.06761	0.4
163.03902	0.5
164.04727	0.5
165.05476	22.2
166.05804	0.8
168.04202	0.3
173.04555	0.2
173.05975	0.3
175.07585	0.4
176.08278	0.2
178.06259	0.5
179.05513	0.6
179.07047	7.2
191.05516	1.4
191.07054	0.4
193.08638	0.3
199.09666	0.9
208.07291	0.4
209.08113	0.5
209.11859	0.5
223.09692	0.7
269.25784	0.2
298.12000	0.5
301.10730	0.3
313.14508	1.0
313.43707	0.3
315.12317	2.3
316.12994	1.0
331.11768	0.4
331.15295	0.3
343.15564	0.4
345.13351	0.4
346.14203	8.0
347.14478	0.6
361.16544	100.0
362.16849	9.6
523.20831	0.5
523.27820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2188
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
54.19111	0.9
55.01739	1.9
57.03328	1.5
59.01248	24.9
69.51165	2.2
69.51576	3.8
71.00887	1.5
71.01252	21.3
72.99175	1.8
73.02818	5.4
77.58442	0.8
83.01256	3.4
85.02818	9.9
87.00737	2.4
89.02304	8.9
93.03320	2.2
93.69490	0.7
95.01244	2.0
96.95900	2.6
97.02840	0.8
99.00758	1.9
101.02309	14.2
109.02867	4.3
113.02330	7.6
119.03387	4.1
121.02831	12.8
122.03637	13.0
123.04422	2.1
124.01544	1.2
129.03372	1.2
132.19131	0.8
134.03630	1.3
135.04398	3.4
136.05208	1.6
137.02365	2.2
147.04417	7.7
154.02617	1.7
155.10686	2.0
161.04477	1.0
161.05997	2.8
162.06731	0.7
164.04739	0.9
165.05473	23.6
166.05865	0.8
173.04433	1.1
175.07523	1.0
178.06056	1.0
179.05522	1.1
179.06989	9.0
191.05513	9.3
191.07098	1.6
209.11731	9.6
223.06065	1.9
227.12875	1.2
253.09230	1.7
269.11771	1.2
298.12094	1.1
313.10867	1.3
313.14398	2.0
315.12180	2.0
328.13049	2.2
331.12036	1.2
343.15494	5.8
346.14151	7.9
347.14990	2.6
361.16541	95.9
362.16879	6.6
451.02939	0.9
523.21802	100.0
524.22296	10.5
525.78278	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	523.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08934	1.0
57.03312	3.4
58.99453	2.2
59.01248	38.5
60.38440	1.2
61.98692	4.4
64.84454	1.0
65.31405	1.0
69.03352	1.6
69.28123	1.0
69.31721	11.2
71.01247	19.1
71.36993	0.9
71.65501	1.0
72.99183	1.9
73.02810	4.3
83.01282	1.8
85.02813	8.8
87.00742	33.5
87.04384	32.4
89.02332	6.8
93.03326	2.7
97.06471	1.2
99.00763	1.7
99.04372	1.5
101.02319	7.8
102.98470	4.6
103.03873	1.4
111.04395	1.6
113.02313	3.5
113.68566	1.2
115.03885	19.7
119.03361	2.8
121.02798	1.1
125.57890	1.1
133.04985	1.7
135.04401	1.6
141.51360	1.1
159.02908	1.1
163.06036	3.4
167.14339	3.8
173.04474	3.7
175.59645	1.1
177.16307	1.3
179.14186	1.3
187.07542	1.2
191.05522	15.5
192.05826	1.7
195.17453	1.3
201.11353	1.0
203.07138	2.7
207.74188	1.4
211.15143	1.1
221.15323	4.2
239.16486	28.8
240.16772	2.0
245.08229	1.1
246.08957	1.7
249.06119	40.4
256.43869	1.1
273.15265	34.2
299.16843	3.2
317.19730	1.1
325.14200	1.4
343.15564	3.5
360.13266	1.1
361.16827	4.1
430.64566	1.2
463.25256	2.6
487.26456	1.5
523.22101	100.0
524.22729	8.7
529.89691	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	523.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.1
59.01243	18.3
61.98695	3.6
64.96954	1.6
65.46581	1.6
66.30209	1.5
71.01247	12.2
71.36132	3.4
72.99178	3.1
73.02828	2.8
75.00701	1.7
85.02805	6.3
87.00741	10.1
87.04369	2.5
89.02297	7.2
93.03334	5.0
97.06458	2.5
101.02294	8.1
111.08018	4.7
113.02322	3.6
115.03885	4.2
118.83719	1.4
119.03362	2.4
120.99500	1.6
125.09585	5.9
127.02737	1.6
133.04944	2.8
135.02914	1.8
137.09607	3.1
153.28999	1.5
171.10144	3.2
173.04443	4.8
173.05852	3.0
175.03894	2.8
177.09163	1.7
187.07428	2.2
191.05508	24.9
201.11250	18.3
203.06990	3.6
213.05540	1.6
213.11241	17.0
215.07150	2.1
239.16489	4.8
246.08916	1.7
249.06061	5.2
265.17798	1.8
273.15225	6.9
289.18015	8.9
307.19180	19.5
325.20157	100.0
326.20511	9.3
330.13791	3.0
350.54282	1.7
361.16437	1.7
487.25616	1.7
523.22491	27.8
523.31262	1.9
523.33917	2.2
524.22675	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68680	1.4
53.98944	1.4
55.01760	1.6
57.03326	1.9
59.01250	26.2
61.98717	8.4
67.82174	1.5
69.72539	2.9
69.72952	7.6
71.01250	24.3
72.99180	2.4
73.02818	4.0
80.16151	1.5
83.01244	2.6
85.02821	8.5
87.00761	4.8
89.02311	13.9
89.61183	1.4
93.03323	3.8
96.95928	2.5
97.02762	1.6
98.20528	1.9
99.00762	1.9
101.02325	14.7
104.80109	1.6
107.20335	1.5
113.02332	8.2
119.03359	4.0
120.99532	4.6
135.04410	1.7
137.02263	1.7
155.10652	4.4
160.05202	4.0
161.05719	2.1
167.51936	1.5
173.04369	2.8
175.07545	5.2
176.07915	3.2
179.05542	2.0
181.12166	2.0
191.05542	14.4
195.03006	1.6
199.09732	3.3
199.13353	8.9
202.06396	1.4
209.11736	11.8
320.14319	1.7
329.13867	7.4
330.14264	9.7
331.14630	14.6
343.17499	5.0
361.18674	100.0
362.19025	6.2
385.18561	3.7
395.86142	1.9
446.14468	2.5
478.17078	17.0
479.17545	2.1
523.27466	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	525.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37561	0.5
59.01247	4.5
61.98695	0.7
67.01726	0.4
68.99673	0.7
69.03308	0.7
69.69306	0.7
69.69611	2.8
71.01252	8.8
72.99173	0.9
73.02815	2.3
78.98460	4.9
79.57438	0.4
79.95599	9.3
80.96386	63.9
81.03314	1.2
83.04856	0.6
85.02822	3.9
87.00744	3.4
89.02299	1.5
93.03326	1.2
94.97955	14.8
94.98568	0.8
95.01274	0.6
96.95877	1.2
97.02778	2.0
98.19875	0.8
99.00757	0.5
101.02321	5.9
103.03869	0.6
106.97961	3.5
109.06487	2.1
111.00770	1.0
111.04438	0.5
113.02316	1.3
120.99530	1.7
122.97451	4.6
125.02313	3.5
127.03912	1.0
131.03441	0.6
134.97452	4.2
135.02893	1.0
135.04417	2.0
135.10349	0.4
136.99016	1.3
143.03354	0.5
145.02881	0.6
148.99045	6.5
149.02303	0.5
150.89325	0.5
152.98523	7.0
153.61272	0.4
163.06024	2.0
163.11186	0.6
164.98521	11.5
173.02359	0.5
173.04457	1.0
179.03313	0.4
182.99594	2.7
191.05540	3.6
192.05844	0.5
199.07634	0.4
206.99629	3.8
207.10143	1.5
217.05083	2.4
220.95752	0.4
224.06363	0.4
225.00688	19.1
225.11288	0.7
230.23859	0.5
243.01714	1.4
258.65485	0.5
280.30777	0.5
299.04495	2.6
299.07220	0.5
410.58563	0.4
465.23358	0.9
470.17447	0.4
525.16400	100.0
526.16785	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	525.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01009	0.4
59.01254	4.1
61.59488	0.5
63.96097	0.8
69.03303	0.6
69.40215	5.0
71.01247	7.3
73.02821	1.8
74.83676	0.6
75.00745	1.0
78.98457	4.4
79.95596	6.9
80.96387	50.4
81.03319	1.2
85.02809	3.3
87.00768	2.6
87.01215	0.5
89.02317	0.9
92.95332	0.5
93.03321	0.8
94.97958	13.1
96.95871	1.7
97.02813	1.7
99.00765	0.6
101.02325	3.6
106.97955	3.3
109.06483	0.7
111.04357	0.6
113.02318	1.1
120.99507	1.9
122.97466	4.6
125.02298	3.5
127.03888	1.2
127.12404	0.5
127.65459	0.5
134.97479	3.6
135.04436	1.4
136.99068	0.7
145.43625	0.6
148.99046	4.8
152.98541	5.6
164.98553	10.1
173.04532	0.9
181.12332	0.9
182.99576	2.3
183.08513	0.6
191.05519	4.2
192.05779	0.6
197.91147	0.6
206.99586	3.4
207.10178	1.8
225.00685	14.2
225.11212	1.2
243.01669	1.2
254.15752	0.5
299.04388	2.3
453.40137	0.6
465.23178	1.5
525.16400	100.0
526.16748	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	525.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56079	0.5
57.03310	1.0
59.01253	5.3
59.94020	0.5
61.98690	3.2
63.96110	0.7
69.03317	1.3
70.88064	0.5
71.01249	9.8
71.58751	0.6
72.99176	1.1
73.02808	2.2
75.00731	1.8
78.98462	4.3
79.95602	8.9
80.96387	58.4
83.01249	0.8
83.04881	0.7
85.02824	4.8
87.00736	3.4
89.02313	1.4
92.96326	0.6
93.03323	2.3
94.97367	1.0
94.97955	12.8
96.95872	2.2
97.02820	1.1
99.00760	1.0
101.02316	4.5
106.97974	2.6
109.02821	1.0
109.06461	1.4
113.02307	1.7
115.02984	0.6
115.03917	0.7
119.03349	0.8
120.99550	4.6
122.97455	2.7
125.02325	2.4
127.03808	1.1
129.01807	0.7
134.97490	4.5
135.02840	1.7
135.04420	4.4
136.99074	1.6
137.02319	1.2
148.99030	5.0
151.03845	0.7
152.98537	6.4
162.05589	0.7
163.03935	0.8
164.98541	8.7
165.05399	0.8
173.04503	2.2
191.05533	7.0
192.05890	1.2
201.58247	0.5
206.99622	1.8
207.10159	1.9
209.11702	1.5
217.08739	1.0
225.00673	15.0
225.07596	1.3
258.06833	0.7
299.04388	2.0
301.14508	1.3
327.15945	0.6
345.17120	1.1
363.20477	1.0
367.09525	0.7
393.10745	1.8
428.17023	1.2
465.23206	0.8
468.20691	0.6
495.20358	1.3
503.34299	0.6
507.19916	2.2
525.16418	100.0
526.16736	9.8
526.23828	0.4
537.41498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
57.03317	1.8
59.01239	2.7
64.52472	0.5
67.01762	1.0
68.99688	1.8
69.03321	9.8
71.01238	4.1
71.04884	3.7
71.58893	0.7
80.02531	2.5
81.03336	3.5
83.01261	2.7
83.04895	9.0
84.02039	1.7
85.02825	1.2
89.02306	0.5
93.03327	0.9
95.04910	3.0
97.02814	1.3
97.06470	2.3
99.00797	0.5
100.12237	0.5
101.02332	0.9
109.02872	0.5
109.06484	1.3
110.03712	0.6
111.04396	1.1
123.08047	2.3
123.98891	0.5
125.09608	7.9
126.09995	0.5
135.08035	1.3
137.09631	1.2
149.09602	0.9
151.11159	6.5
153.12787	2.4
161.09628	9.5
162.09973	1.1
163.11197	7.6
165.12735	4.3
169.81087	0.5
171.10115	3.0
173.04478	0.9
179.10686	34.0
180.11055	1.0
181.12239	2.4
185.11719	2.2
191.05508	3.1
191.10696	2.2
197.11758	100.0
198.12094	4.5
201.11298	0.7
205.08604	0.6
207.10214	2.7
209.11758	87.0
210.12131	4.3
221.11823	1.2
223.09689	4.5
225.11258	4.5
227.12843	9.8
239.12871	0.6
241.10757	17.1
242.11136	0.8
243.12350	0.8
297.13449	7.0
309.56894	0.5
315.14474	21.9
316.14914	1.8
330.14346	0.5
331.14737	1.0
353.97720	0.5
371.22238	0.8
389.23193	1.3
463.27075	1.5
465.27100	1.3
507.25772	3.3
525.27014	84.8
526.27350	12.0
532.08136	0.5
538.57544	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	525.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.2
57.03323	2.1
58.00459	2.2
59.01249	54.5
68.99689	3.1
69.03323	2.3
69.41625	1.0
69.41917	11.0
69.66908	1.2
71.01250	37.8
72.99172	3.7
73.02814	19.2
75.00728	1.2
75.90257	1.2
82.32584	1.0
83.01254	17.1
83.04911	1.4
85.02818	23.7
85.29659	1.1
86.18144	1.1
87.00755	3.3
89.02313	4.8
93.03344	2.9
95.01266	3.0
96.95859	1.2
97.02874	2.3
97.06451	1.6
99.00748	6.6
101.02319	44.0
103.03909	1.7
109.02883	1.2
109.06454	2.4
111.00796	1.2
111.04446	1.4
113.02317	13.8
119.03368	1.3
125.02328	2.8
125.09604	2.2
127.03909	1.3
129.01776	1.4
135.04414	2.1
143.03394	2.2
159.02884	3.6
161.04451	12.9
163.11246	1.5
171.10178	4.0
173.04465	1.5
191.05542	10.8
192.05896	1.4
197.11763	2.7
201.11261	1.7
207.10162	3.1
209.11752	6.4
223.09653	2.1
225.11302	2.7
227.12881	2.1
289.18005	4.2
303.66748	1.2
309.20459	1.7
319.21231	77.9
320.21561	5.9
330.64304	1.3
465.27005	100.0
466.27289	10.0
525.19427	1.5
525.26978	7.7
525.34210	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	525.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
57.03323	0.9
57.60835	0.7
59.01249	100.0
61.98700	0.9
66.60522	0.8
68.99686	5.0
69.60931	5.7
71.01251	16.7
72.99173	1.5
73.02815	4.0
83.01270	1.5
83.04939	0.9
85.02811	6.1
87.00755	1.6
89.02316	1.6
95.01274	1.1
96.95908	5.3
97.02830	1.3
97.06461	0.8
99.00769	3.1
101.02327	8.8
109.28927	0.7
113.02324	5.8
113.58562	0.7
115.52481	0.7
115.91978	2.1
116.92738	1.2
125.09645	2.2
129.01846	2.0
152.99504	0.8
159.02876	4.5
161.04430	9.0
163.11156	0.7
171.10175	7.8
179.10732	0.8
191.05589	1.5
197.11787	2.6
201.11311	3.3
207.10129	1.2
209.11777	9.4
213.11371	1.2
215.09283	0.8
217.10728	1.6
218.74503	0.8
223.09753	2.0
225.11285	1.6
227.12965	1.8
315.14349	1.0
319.19342	0.8
346.24258	0.8
355.21240	3.0
383.13123	1.1
394.72263	0.8
465.28528	42.6
466.28766	4.0
505.12140	0.8
525.26697	6.5
526.27222	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	525.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19518	0.5
55.04317	0.7
57.03318	1.1
59.01247	3.6
68.99690	3.9
69.00024	0.8
71.01248	1.9
71.04880	0.6
71.58261	0.6
73.02799	3.1
74.74535	0.6
80.02545	0.8
80.92785	0.5
85.46645	0.6
87.00716	0.7
92.32034	0.7
93.03320	0.7
96.95893	1.2
97.02875	0.6
97.06510	1.1
111.08042	2.4
112.62301	0.6
116.92753	1.1
123.08066	1.1
125.09613	5.9
127.11156	3.0
137.09636	4.3
139.11192	0.9
148.14418	0.6
151.11206	1.2
153.09100	1.6
155.10677	32.9
156.11029	1.0
159.06499	2.3
163.11276	0.8
169.12386	0.7
171.10173	34.3
172.10516	0.8
173.11865	0.6
191.05493	1.2
192.95720	0.9
195.10107	1.2
197.11734	1.4
199.09682	8.2
199.13313	1.1
200.09930	0.9
201.11240	13.3
207.10191	1.0
209.11790	4.2
213.11247	9.6
217.10747	100.0
218.11075	4.1
223.09717	1.3
225.11258	1.5
227.12819	1.9
289.17975	3.9
307.19193	6.3
309.20453	1.4
313.63840	0.6
325.20172	29.8
326.20425	2.5
383.13123	1.7
391.18427	0.6
405.39786	0.6
446.36533	0.8
525.31238	11.3
526.30829	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	525.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	25.5
61.98683	3.2
67.01785	3.3
69.03335	4.3
70.43712	11.4
71.01253	19.9
72.99179	6.7
75.00736	7.4
78.95759	3.5
83.04893	4.0
83.17726	3.4
85.02828	14.6
87.00755	13.2
89.02312	5.0
93.03341	18.0
99.04363	3.9
101.02313	8.4
109.06473	6.3
113.95625	3.4
120.99519	21.7
121.02855	4.8
125.06013	3.6
130.63248	3.9
135.02885	21.7
135.04381	8.2
137.05952	3.7
151.07520	6.0
159.04456	6.7
163.11177	5.9
171.10213	12.2
172.05219	3.9
173.04449	4.5
175.04028	4.3
175.07574	6.1
187.07579	7.4
188.08136	3.3
189.09177	5.4
191.05522	100.0
192.05911	12.6
194.85823	3.7
197.11705	11.8
199.03879	5.3
199.13228	4.3
201.11282	4.3
202.06119	3.4
203.07050	10.0
206.80051	4.4
207.10272	6.4
209.11789	15.5
225.11263	12.0
229.08681	4.3
230.09369	4.3
231.10204	4.2
232.07396	5.4
233.08217	6.4
247.09648	7.1
248.10562	3.9
251.09334	4.8
296.10468	8.6
301.22641	3.7
315.14883	4.7
330.13879	24.9
330.64133	44.3
331.14313	13.8
331.64395	5.0
345.16980	5.0
389.16058	4.9
425.29141	5.2
467.30066	13.5
481.31726	13.1
525.26965	11.6
525.34167	57.1
526.34436	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	527.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12285	0.8
57.03299	1.0
57.51204	0.8
58.78589	0.9
63.36547	0.9
68.37440	1.0
70.96883	2.2
71.01257	6.2
73.02792	1.3
75.22058	0.8
78.98445	3.0
79.95609	8.3
80.96389	54.1
81.03348	1.3
85.02835	2.2
87.00738	1.2
90.45084	1.0
94.97952	12.6
96.95880	1.3
98.82107	1.0
101.02316	2.6
106.97923	2.4
108.63329	0.9
109.19398	0.8
118.86680	0.8
122.97460	4.9
125.02377	1.0
134.97461	2.4
136.98981	1.1
148.99034	4.0
152.98544	5.1
156.98395	0.8
164.98503	6.9
182.99577	1.2
183.45105	0.9
206.99609	1.3
209.11838	2.0
225.00668	14.0
243.01595	1.9
243.62605	0.9
246.81963	0.9
299.04358	1.4
527.18005	100.0
528.18256	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	527.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21294	0.6
59.01229	1.3
63.96111	1.3
66.32821	0.6
69.03358	0.7
69.25854	7.1
71.01247	6.5
73.02817	2.0
73.05138	0.6
78.98461	6.6
79.95610	11.5
80.27228	0.6
80.96387	65.6
81.03308	0.9
83.01256	0.8
85.02828	4.3
86.60020	0.6
87.00744	3.5
91.15604	0.5
94.97370	1.2
94.97959	16.7
96.95858	1.0
97.02824	1.8
98.19714	0.8
101.02328	2.5
106.97948	3.3
122.97456	3.2
125.02359	3.2
127.03886	0.8
134.97484	4.7
136.99033	1.9
148.99042	5.7
152.98524	5.2
164.98518	11.4
206.99596	3.2
209.11778	2.7
225.00681	18.3
299.04465	3.2
333.33932	0.6
350.86588	0.6
368.35352	0.7
375.77344	0.8
416.29428	0.6
527.17993	100.0
528.18317	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	527.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40926	0.4
56.02749	0.4
57.03310	0.8
58.00442	0.4
59.01253	4.6
60.99165	1.7
61.98678	0.7
63.78025	0.5
67.01756	4.8
69.03309	1.3
71.01243	4.2
72.99178	0.9
73.02798	0.7
78.95284	0.4
78.95756	0.9
79.95637	0.5
80.96382	0.9
81.03319	0.9
83.04867	1.4
85.02817	14.6
87.00748	8.9
89.02299	1.4
93.03329	35.0
94.03674	1.3
96.95875	1.3
99.00736	1.4
99.04372	1.1
101.02306	2.0
109.02837	1.3
111.04401	5.8
113.02354	1.0
119.03333	0.8
120.99545	0.7
124.60260	0.5
127.03886	4.1
129.01816	1.0
135.04395	1.1
137.02373	0.6
155.03377	1.3
157.08542	0.5
171.02881	1.2
173.04465	22.0
174.03291	0.6
174.04742	0.8
177.12651	0.5
191.05525	100.0
192.05904	3.2
196.08900	0.6
209.05771	0.5
215.07028	0.7
215.10817	0.5
222.06599	0.7
223.07573	0.6
225.05450	0.5
225.09189	0.5
237.05518	0.5
237.09251	1.0
239.07074	0.8
251.07048	1.3
251.10693	3.1
252.07982	0.5
252.11395	1.3
253.08569	0.7
253.15907	0.8
254.09293	0.6
256.07437	1.1
257.08157	3.1
265.08710	2.0
265.12262	1.2
269.08127	0.6
279.10278	1.7
280.11041	1.9
281.15393	2.3
283.09784	0.9
285.14450	0.6
294.12512	0.5
309.14890	3.5
324.10062	3.5
335.12714	0.8
353.13901	43.2
354.14209	3.4
365.23337	1.5
430.12732	3.6
527.19183	22.7
528.20227	2.7
535.83405	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	527.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03746	0.6
55.49841	0.6
57.03321	1.3
59.01243	6.1
59.84959	0.6
60.99166	2.0
67.01750	4.8
68.98071	0.6
69.03320	1.7
69.27875	1.6
69.28287	4.9
71.01252	5.4
73.02802	1.3
75.00750	0.7
75.19337	0.5
81.03336	0.8
83.04917	0.9
85.02820	12.4
87.00742	8.5
89.02334	2.2
93.03330	31.4
94.03651	1.1
95.01251	0.7
96.95856	0.8
97.02831	0.8
99.00742	1.3
99.04382	1.2
101.02303	3.2
109.02826	1.3
111.04390	5.4
113.02299	1.0
119.03334	0.7
127.03908	2.8
129.01810	0.7
135.04393	1.2
137.02316	0.7
155.03406	1.4
161.02319	1.7
171.02863	0.9
173.04468	23.1
174.04791	1.4
179.03435	0.8
180.15211	0.6
191.05533	100.0
192.05887	1.5
216.14133	0.6
224.48373	0.6
235.10942	0.7
251.07031	0.8
251.10760	2.8
253.08737	0.8
256.07401	1.0
257.08163	3.1
265.08820	0.8
265.12262	1.4
266.12894	0.7
269.08292	0.7
279.10294	1.6
280.11008	2.5
281.15427	1.5
283.09683	1.3
295.09787	0.8
309.11731	0.8
309.14886	4.9
324.10056	2.2
335.12772	0.9
349.64642	0.8
353.13919	43.9
354.14337	3.6
367.97021	0.7
386.13800	0.9
430.12527	4.3
467.24771	5.1
527.19147	21.4
527.35883	1.9
528.19324	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	527.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.0
58.00460	1.9
59.01248	100.0
61.98707	0.9
65.47660	0.7
67.01741	1.3
67.27767	0.7
68.99676	8.9
69.03324	3.9
71.01250	31.1
71.58692	0.7
71.59129	1.1
72.99183	2.2
73.02837	1.7
75.00755	2.0
78.80994	0.7
80.96404	0.9
81.03318	1.2
83.01270	1.0
83.04900	1.6
85.02820	6.3
87.00755	2.9
87.31435	0.7
89.02318	36.8
93.03332	4.1
95.01283	1.7
95.04919	3.0
97.02855	1.1
97.06475	1.2
99.00727	4.4
99.04412	0.9
101.02319	25.0
107.04923	0.7
109.06487	0.9
111.04427	1.8
113.02333	14.0
119.03384	14.2
121.02879	0.8
123.08050	17.3
125.02321	0.8
125.09595	1.8
127.03886	1.5
131.03415	2.1
135.04449	1.5
139.03880	0.8
143.03438	1.9
149.02336	0.8
149.04503	1.5
149.09630	0.7
151.07530	0.7
157.08647	1.0
161.04482	2.5
163.03926	1.1
163.11253	1.5
165.12781	0.7
171.10204	7.1
172.05298	0.7
173.04498	2.2
174.03116	0.9
175.07593	1.2
179.05547	5.1
181.05035	2.7
185.11824	1.0
187.07614	1.2
191.05513	12.5
197.11786	0.8
201.11220	4.2
202.06273	0.9
203.10712	4.7
207.10196	3.2
209.11783	13.0
210.12201	0.9
215.07123	2.5
225.11296	6.9
227.12723	3.9
233.06215	2.0
235.09746	7.2
243.12247	0.8
251.12813	1.6
255.10362	1.1
263.13385	0.8
267.02988	1.7
287.13031	3.4
291.19858	1.4
305.14032	2.5
353.14023	1.0
399.24005	2.5
430.08810	3.6
431.10077	0.8
439.20749	0.8
526.35223	0.9
527.28284	5.3
527.35602	2.6
539.42889	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	527.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.4
58.00471	1.5
59.01249	100.0
60.01587	0.9
61.98703	0.8
64.05270	0.3
66.31145	0.4
67.01771	0.6
68.99688	9.8
69.03324	2.4
70.99036	0.7
70.99373	0.6
71.01252	24.4
72.99191	1.4
73.02837	0.8
76.06994	0.4
79.05423	0.4
83.01267	0.8
85.02821	3.6
87.00762	1.8
87.25323	0.4
89.02315	37.3
93.03355	1.1
95.01276	1.6
95.04902	1.0
97.06472	0.9
99.00763	2.2
99.04423	0.4
101.02321	22.7
102.02702	0.4
105.06995	1.5
113.02326	11.0
119.03381	13.7
121.02874	0.7
121.06512	0.6
123.08044	10.5
125.02339	0.5
131.03407	1.7
136.89687	0.4
143.03381	2.2
149.02321	0.8
149.04500	1.4
149.06079	0.5
161.04454	2.3
161.05617	0.4
175.07582	0.8
179.05518	4.8
181.05006	3.7
191.05522	2.3
198.01791	0.4
203.10692	7.0
204.11130	0.4
204.80342	0.4
227.10799	0.8
235.09718	9.1
255.10252	0.6
287.12836	2.0
305.13916	3.4
313.85791	0.4
467.18884	0.7
527.36188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78767	0.5
58.00467	1.2
59.01250	100.0
61.98703	1.3
63.06144	0.4
68.99685	10.6
69.00048	0.8
69.03320	2.1
70.19415	0.4
71.01251	24.5
71.19588	0.8
72.99181	1.4
73.02849	0.7
82.71844	0.6
83.01253	1.0
85.02822	4.6
87.00765	2.1
89.02315	35.0
93.03346	1.0
95.01289	1.7
95.04917	0.7
97.02809	0.6
97.06470	1.0
99.00757	2.1
101.02317	24.8
105.07000	1.7
111.04399	0.4
113.02325	10.0
119.03390	13.7
121.02850	0.5
121.06503	0.8
123.08045	11.3
123.08906	0.7
127.23010	0.4
131.03438	1.5
134.83760	0.4
135.04428	0.9
143.03442	2.5
147.04391	0.5
149.02368	1.4
149.04472	1.4
161.04509	1.6
161.05887	0.5
173.04445	0.6
175.07574	1.0
179.05513	3.8
181.04997	3.4
191.05513	3.5
203.10672	7.1
209.11861	1.0
223.06157	0.7
225.11316	0.7
235.09731	8.4
255.10138	0.7
287.12866	3.1
305.14050	3.0
459.86035	0.5
526.34387	0.6
527.35986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2526
Annotation	chaetoglobosin C
Peak:m/z	Relative Intensity
51.01052	0.4
59.01242	2.3
63.96102	1.4
65.79664	0.5
69.03329	0.6
71.01247	7.9
72.06853	0.4
73.02817	1.7
78.91758	7.6
78.95783	2.4
78.98454	6.1
79.95600	8.4
80.91555	8.2
80.96387	61.5
81.03346	0.8
84.98930	0.6
85.02820	3.0
87.00755	2.6
94.97959	15.1
95.01284	0.5
96.95885	1.0
97.02831	2.0
97.63232	0.4
99.00766	1.0
101.02340	2.5
106.97955	3.0
113.02346	0.6
122.97464	2.9
124.96672	21.2
125.02353	3.2
126.96263	0.6
127.03881	0.7
134.97461	4.8
136.99043	1.4
140.85152	0.5
148.99034	6.7
152.98537	5.8
159.93600	0.4
164.98529	12.9
165.99338	11.4
186.65579	0.5
186.77159	0.4
206.99675	2.6
211.13426	0.5
225.00690	15.0
227.20074	3.1
241.01106	0.5
293.83917	0.9
299.04422	3.2
347.23578	0.8
359.83093	1.0
405.63678	0.5
467.10297	0.6
499.50754	0.5
527.25244	100.0
528.25464	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	527.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.3
62.16297	2.2
80.96360	1.6
83.04895	2.7
93.03261	1.6
94.28394	1.5
96.30753	1.7
98.20554	3.8
107.08593	1.8
111.08044	1.8
137.09613	14.3
139.11192	3.1
155.10677	81.9
156.10992	3.3
181.08537	4.0
199.09686	100.0
200.10011	2.4
235.07365	7.2
240.13678	2.8
247.20750	2.6
249.94940	1.6
255.23305	4.1
267.66309	1.8
291.19623	18.8
309.20682	96.0
310.20963	6.1
319.22964	2.0
333.42163	1.9
451.31778	1.7
473.28934	2.2
491.30154	30.5
492.30417	3.3
527.27783	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	527.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57795	1.1
57.03319	2.5
59.00995	1.0
59.01245	10.4
61.98721	1.7
69.03329	1.5
71.01241	9.5
71.04873	4.4
71.58476	1.1
71.58842	1.6
73.02797	2.1
81.03297	2.8
83.04897	7.5
84.02027	1.2
85.02812	3.8
87.00742	4.4
89.02322	2.4
93.03325	6.2
95.04881	1.9
96.95870	3.1
97.02807	5.2
97.06458	4.9
98.53251	1.2
99.00152	1.8
99.00755	20.3
101.02326	3.5
104.23312	1.2
107.93726	1.5
109.02827	1.5
109.06465	3.5
111.04401	2.2
121.02813	1.6
123.08023	3.5
125.09588	11.1
127.03905	1.5
129.01648	1.4
135.04396	3.6
137.02353	1.5
142.02573	2.2
153.12773	1.4
158.81410	1.3
161.09550	1.2
163.11205	25.8
165.12712	3.0
171.10208	12.2
173.04422	3.4
181.12253	45.6
182.12561	1.9
183.04384	1.5
187.07590	1.5
191.05531	15.5
191.10635	1.7
195.40089	1.5
197.11720	2.8
199.09511	1.3
199.13345	14.1
201.11150	8.5
207.08331	2.8
207.10191	38.7
209.11758	100.0
210.12100	2.9
215.06992	3.6
225.11253	78.9
226.11551	4.1
227.06975	1.7
227.12830	18.5
243.12341	50.1
244.12512	1.6
251.12781	4.2
267.02893	2.0
291.19574	3.4
299.15051	9.1
317.16028	39.8
318.16406	1.9
342.14716	2.7
392.95847	1.4
430.08914	3.1
467.33743	1.4
509.27554	6.4
527.28503	49.5
527.34705	2.4
528.20844	1.4
528.29028	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	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40723	0.9
55.01749	1.4
58.00460	1.0
59.01245	10.2
69.03325	1.6
71.01257	8.6
71.04878	2.5
71.58333	1.3
73.02823	1.7
78.95779	1.2
81.03346	1.3
83.04885	3.6
83.35251	0.9
84.02019	1.1
85.02808	3.1
87.00744	2.9
89.02301	3.8
93.03309	5.0
95.04890	1.2
97.02834	1.1
97.06447	2.4
99.00745	14.2
101.02302	5.9
103.69476	1.2
109.06445	3.3
111.04401	1.5
113.02303	2.7
123.08033	1.2
125.09601	6.2
135.04396	1.9
135.08035	1.6
137.93416	1.1
150.10358	1.3
161.04489	1.6
163.05974	1.0
163.11169	6.9
165.12761	13.5
171.10168	3.7
173.04413	3.7
181.12254	8.4
191.05490	10.4
197.11789	1.6
199.09698	1.4
199.13307	4.5
201.11240	7.2
205.12213	1.0
207.10182	17.5
209.11755	32.7
210.12105	2.3
211.07614	1.1
215.06987	1.7
215.12932	1.0
225.11261	34.4
226.11533	2.3
227.12828	8.4
243.12270	14.2
247.20609	8.4
251.12926	1.5
253.09233	16.9
263.17075	1.0
273.18503	3.7
291.19629	100.0
292.19968	7.2
299.14975	4.1
317.16028	9.7
321.17175	1.7
368.16318	1.2
396.91385	1.2
509.27133	1.2
527.19446	1.8
527.28491	22.9
527.36102	1.8
528.28693	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	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.5
57.03328	3.7
58.00452	0.7
59.01245	15.9
65.43340	0.7
68.99670	0.9
69.44792	6.8
71.01247	24.8
72.99165	5.8
73.02822	1.5
75.00742	19.3
77.45467	0.7
78.63805	0.7
81.03342	0.7
85.02821	26.7
87.00740	9.0
89.02321	5.0
94.67855	0.6
95.01258	7.2
99.00744	10.5
103.00247	3.4
108.42047	0.8
111.00751	1.2
113.02326	39.0
113.46727	0.7
115.00221	1.9
117.01800	3.2
121.64059	0.8
129.01822	1.9
131.03394	0.7
139.00169	0.9
157.01303	1.2
175.02390	5.8
201.11118	0.7
205.07176	3.8
223.08072	1.6
231.05142	1.9
249.06151	9.3
259.20688	0.9
261.39664	0.7
267.07159	9.5
274.84988	0.8
277.21701	64.4
278.22015	4.5
280.95071	0.8
509.27603	2.1
527.28571	100.0
528.28961	8.9
549.10486	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	527.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	8.5
61.98092	4.2
70.79807	3.5
80.96373	4.7
96.95882	3.4
98.19765	9.3
101.91218	3.2
115.56614	3.8
134.50854	3.9
137.09572	16.6
155.10663	89.5
181.08617	4.7
191.05400	3.6
198.45268	3.6
199.09677	95.2
229.66223	4.5
235.07286	6.8
255.23289	4.1
291.19632	14.9
309.20694	100.0
310.20975	8.3
367.25537	3.6
491.30127	22.5
527.28491	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	527.322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01588	0.8
61.98706	0.6
67.01746	0.7
71.01246	7.2
71.58636	0.6
73.02818	2.1
78.95770	0.7
80.96387	0.4
81.03355	0.5
83.01273	1.1
85.02813	2.9
87.00770	1.4
88.35432	0.3
89.02341	0.7
93.03333	4.2
95.01287	0.4
97.02840	0.4
99.00742	1.3
101.02313	3.6
101.02805	0.3
111.04413	0.9
113.02338	2.4
125.09633	0.5
161.04463	6.0
163.11249	0.6
171.10225	2.3
173.04488	3.1
181.12340	0.4
184.39906	0.4
191.05545	2.8
191.06990	0.4
199.13329	0.6
201.11255	0.8
207.10216	1.1
209.11740	4.0
211.07596	0.4
215.74789	0.4
225.11240	1.3
227.12897	0.7
233.15424	0.6
291.19812	0.6
464.84439	0.3
467.30045	6.1
468.30896	0.6
527.19171	1.6
527.28650	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	527.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75194	1.0
55.01754	1.7
57.03315	1.7
57.19481	0.8
59.01247	39.8
61.98689	0.8
69.03320	1.3
69.54920	6.7
71.01250	20.8
72.99166	1.6
73.02815	25.1
83.01260	3.1
83.04895	1.1
85.02815	5.8
87.00736	3.7
89.02320	1.1
91.68793	0.8
93.03314	2.9
95.92068	0.7
96.95891	1.7
97.06414	0.9
98.20463	1.9
99.00743	2.6
101.02319	16.4
109.06412	0.8
113.02314	2.7
125.09580	1.9
129.94708	0.7
147.63123	0.8
161.04457	30.9
163.11160	1.8
171.10187	5.9
173.04446	1.6
181.12276	1.9
191.05557	7.2
197.11771	2.1
199.13293	1.3
201.11215	2.5
205.07072	1.1
207.10176	3.3
209.11778	12.9
210.12067	1.1
211.13367	1.6
217.10756	2.4
225.11209	7.1
227.12811	2.9
243.12337	1.9
251.12889	2.4
291.19638	2.0
317.16174	1.4
327.21713	6.1
345.08575	0.9
381.22794	1.5
453.24783	1.4
467.30103	100.0
468.30374	10.4
491.26178	1.0
509.27280	1.2
527.19690	1.4
527.28650	7.1
528.28650	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	529.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55878	0.8
55.01777	1.0
58.00472	1.1
59.01249	23.0
59.65607	0.8
65.03829	1.1
69.03325	16.8
70.05430	3.4
71.00886	1.3
71.01250	15.7
72.99179	2.3
73.02808	2.0
74.63878	0.8
80.96371	2.2
81.03300	1.3
81.45309	0.8
83.01270	0.8
83.04890	3.3
85.02818	4.0
87.00755	1.8
89.02319	12.2
93.03330	50.0
93.95219	0.9
94.03661	1.5
94.97952	1.1
95.01261	1.8
97.02826	73.3
98.03157	1.1
99.00747	3.5
101.02311	7.4
109.02843	1.2
111.04418	9.7
113.02297	3.6
119.03370	3.9
121.02852	2.1
121.06493	1.1
123.04406	6.3
125.02319	1.4
127.03913	1.0
135.04471	1.0
137.02339	28.8
141.01839	7.7
143.03474	1.4
143.07013	1.4
145.06511	1.0
148.04831	0.8
149.02345	1.7
149.05995	6.1
153.71419	0.9
155.03395	31.1
156.03745	1.4
159.02855	1.2
167.07028	1.0
173.04521	4.9
173.05887	1.1
175.03983	1.0
179.05547	1.2
191.05542	7.5
193.04968	6.0
217.05013	1.4
239.12802	0.9
253.04758	2.0
253.07166	14.7
297.06082	7.3
303.34750	0.9
305.10480	2.3
323.11288	8.8
349.09225	2.8
355.04623	1.0
373.11325	5.7
485.16766	2.7
529.15594	100.0
530.15991	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	529.2078
Annotation	Gomisin D
Peak:m/z	Relative Intensity
57.03328	1.3
59.01250	4.2
60.99176	3.8
65.13165	0.6
67.01759	14.9
69.03320	5.2
71.01247	6.5
71.04867	1.0
71.59160	1.0
72.99160	0.8
78.95773	3.3
81.03313	2.9
83.04897	2.6
87.00751	20.2
87.01565	0.8
89.02290	0.7
93.03331	100.0
94.03676	2.3
97.02806	1.1
99.00745	1.4
99.04364	1.7
101.02308	1.2
111.04399	12.7
113.02316	2.4
115.03864	0.7
119.79386	0.5
128.84462	0.6
129.01793	1.7
134.03630	10.0
135.04439	7.9
137.02335	0.8
143.03436	1.1
151.11180	3.0
155.03392	4.4
164.73416	0.6
169.12263	6.1
173.04462	68.3
174.04774	1.3
177.12781	2.6
191.05525	6.5
209.11787	5.6
213.11223	2.8
225.05525	0.6
227.12761	1.8
253.09125	1.0
287.14844	1.1
293.21219	2.9
308.08917	0.8
330.08148	0.6
351.07205	1.9
355.15494	3.3
355.89398	0.6
447.13550	4.7
497.27661	3.4
504.72614	0.8
529.20740	36.9
530.20929	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	529.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.99173	6.5
67.01759	12.5
67.57392	1.2
69.03323	4.2
69.44479	12.2
71.01247	11.0
73.02812	1.6
75.66226	1.6
78.95747	1.3
81.03313	2.5
83.04893	1.5
85.02802	2.5
87.00749	18.3
89.02306	1.7
93.03330	93.2
94.03671	2.9
98.20557	2.5
99.00752	3.6
99.04390	1.7
101.02315	3.2
109.43383	1.2
111.04385	14.1
113.02282	3.4
122.42267	1.3
129.01811	3.1
133.02780	1.8
134.03603	12.3
135.04433	11.4
137.02318	1.7
142.69756	1.4
155.03351	3.9
155.10579	1.7
161.04454	2.9
173.04456	65.9
174.04852	2.0
177.01823	1.8
177.12686	2.9
178.02626	3.1
183.10159	2.4
186.46999	1.6
191.05545	12.5
195.13696	2.4
200.04526	1.5
209.11845	3.2
223.13370	1.6
253.09250	10.2
275.20062	3.0
293.21210	41.4
338.79779	1.8
351.07117	1.6
355.15448	4.4
529.20837	30.9
529.28168	2.7
530.20972	3.3
559.60980	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	529.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	6.1
65.70368	0.7
70.43497	3.0
70.52648	0.9
70.81677	0.7
71.01258	4.8
72.99161	1.1
73.02824	1.1
80.96399	2.0
82.95968	1.6
83.01244	2.2
85.02830	1.5
87.00760	2.0
89.02296	5.5
93.03313	1.1
95.07063	0.9
97.56946	0.8
99.00758	3.1
101.02317	2.4
111.00764	2.9
111.43944	1.0
113.02299	3.2
113.99467	7.5
115.00259	2.7
119.03383	2.4
132.21283	0.8
143.03378	1.1
156.00536	8.3
157.01230	1.0
174.01607	100.0
175.02141	2.6
191.05544	3.6
208.80856	1.0
372.82562	0.9
429.21295	1.8
450.14679	0.9
469.20773	2.7
524.34387	0.8
529.18097	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	529.3016
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
52.70621	0.8
55.01748	0.7
57.03309	3.6
59.01248	17.7
59.87420	0.7
67.01763	1.0
68.99665	1.0
69.03315	1.4
70.41685	0.9
71.01250	24.9
71.19650	1.8
72.01591	0.8
72.99178	6.3
73.02822	1.8
75.00353	1.3
75.00750	20.8
76.58460	0.7
78.95740	1.3
83.01256	2.1
85.02819	26.9
87.00757	8.4
88.28260	0.7
89.02296	5.7
90.38913	0.7
93.03321	0.8
95.01261	5.8
99.00750	13.2
101.02295	1.2
103.00252	3.2
105.78504	0.8
111.00780	1.0
113.02328	37.2
115.00236	1.8
117.01836	2.5
129.01820	2.7
131.03363	1.5
139.00233	1.1
157.01331	1.5
175.02347	5.1
188.52322	0.7
191.05554	3.1
205.07094	3.2
205.80302	0.7
223.08200	1.8
223.36646	0.8
231.05003	1.2
249.06137	12.2
267.07205	9.5
279.23276	86.5
280.23636	6.6
290.39865	0.8
460.34064	0.9
501.81442	0.9
511.29071	3.4
529.30170	100.0
530.30487	14.1
558.78955	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	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17790	1.0
54.21519	1.0
57.03305	3.9
58.45191	1.0
59.01247	89.1
61.98707	2.3
65.08331	1.0
67.01762	5.5
67.28170	1.4
69.03329	1.9
70.13071	2.3
70.13509	4.2
70.15054	1.2
70.56197	1.0
71.01245	7.5
72.99191	2.1
73.02805	3.2
76.77861	1.1
77.70504	1.2
78.95769	1.3
81.03303	1.7
83.01238	1.5
83.04890	6.6
84.02036	1.4
85.02806	4.4
87.00743	8.5
89.02306	5.1
93.03331	31.5
95.04877	3.2
96.74697	1.2
96.95866	1.8
97.06461	8.8
98.19804	1.7
101.02311	4.5
103.03896	2.7
108.06398	1.3
111.04374	4.1
113.02282	1.3
120.99508	2.0
125.09615	2.8
133.02840	1.3
134.03603	4.7
135.04417	12.9
137.02290	1.5
151.11185	43.8
152.11491	1.5
155.03355	1.5
163.06058	3.2
163.11160	5.6
165.12688	3.3
169.12244	100.0
170.12541	3.8
171.10149	2.4
173.04448	24.6
177.12721	1.8
178.02730	1.5
179.03403	4.1
191.05550	11.9
195.10185	9.3
205.07098	3.8
209.11760	87.6
210.12025	4.9
213.11249	32.0
227.12813	16.8
246.38277	1.2
269.13876	3.3
272.46985	1.3
287.12009	2.1
287.14987	28.8
307.07800	1.6
308.09018	2.0
351.07349	2.2
352.07870	2.8
355.15552	1.7
379.24719	1.5
453.28690	1.4
479.26340	2.7
497.27512	57.1
498.27631	5.6
529.20660	4.2
529.28711	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	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04165	0.5
55.01759	0.6
57.03314	1.0
59.01249	17.4
63.73577	0.5
69.03325	0.8
69.55682	4.1
71.01250	7.4
73.02815	1.0
78.31344	0.4
83.01249	0.7
85.02824	3.2
87.00758	1.5
89.02314	7.0
93.03351	3.3
95.01260	1.0
97.02832	0.9
97.06468	0.6
101.02321	7.1
111.04374	0.6
111.08006	0.5
113.02346	3.7
119.03365	2.4
125.02400	0.6
125.09586	0.6
129.01775	0.5
131.47282	0.5
133.02806	0.9
134.03615	1.0
135.04427	2.6
160.01558	0.8
161.04446	3.8
173.04457	1.8
177.12778	0.6
179.03426	0.6
179.05551	1.5
179.14302	0.6
191.05544	14.8
195.13834	8.7
196.14310	1.1
205.54942	0.5
209.11766	1.6
211.13350	1.0
223.13350	6.7
224.13725	0.6
231.21092	0.7
235.17006	1.0
253.09258	30.8
254.09622	0.9
256.13199	1.1
275.20187	6.4
289.18057	1.7
293.21213	100.0
294.21585	7.0
307.19229	2.5
308.08789	1.0
404.71497	0.6
447.13379	1.4
492.21759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.8
59.01247	100.0
60.01587	0.9
60.99174	1.1
61.98694	0.5
65.49751	0.3
67.01760	2.9
69.03328	1.0
71.01237	1.4
71.30340	0.6
80.02524	0.3
81.03338	1.1
83.04906	1.5
85.02814	0.3
87.00748	4.2
93.03328	19.3
94.03681	0.5
95.04912	0.3
97.02847	0.3
97.06479	0.9
101.02315	0.4
111.04383	2.8
115.48714	0.3
125.09596	0.4
126.03033	0.4
134.03638	2.1
135.04419	4.4
137.02371	0.5
151.03915	0.5
151.11180	6.4
155.03378	0.4
155.10707	0.4
156.79546	0.3
163.11224	0.8
165.12790	0.5
169.12248	13.4
170.12698	0.6
171.10172	0.7
173.04457	10.4
177.12775	0.4
178.02661	0.3
179.03476	0.7
191.05510	2.9
192.05975	0.3
193.43217	0.3
195.10219	1.0
209.11758	10.9
210.12158	0.6
213.11259	3.2
217.10817	0.5
222.08926	0.3
227.12865	2.2
228.79379	0.3
287.14996	3.4
307.08362	0.5
308.08987	1.6
311.28479	0.3
329.23325	0.8
351.07275	1.2
352.07986	1.8
355.15527	0.3
479.26596	0.3
497.27536	7.1
498.28110	0.8
529.07819	0.3
529.20856	2.6
529.35175	1.0
530.21265	0.4
530.36011	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	530.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76596	0.4
54.62447	0.4
59.01247	1.5
66.11882	0.4
70.16910	0.8
70.17303	1.0
78.95771	19.9
93.03314	0.5
144.00963	0.4
152.99503	2.9
168.04243	3.6
168.88225	0.4
183.62796	0.4
191.05530	2.1
224.06863	7.8
242.07922	2.0
255.23262	100.0
256.23605	7.1
441.07809	0.5
480.30917	61.9
481.31363	6.6
514.76697	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	531.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.3
57.03317	0.9
59.01248	13.8
60.99169	1.1
61.98690	0.3
67.01752	2.8
68.99679	0.4
69.03336	1.5
71.01249	6.2
71.04882	0.4
71.58924	0.5
71.59325	0.3
72.99179	3.6
73.02820	1.1
74.02315	0.3
74.29951	0.2
81.03326	1.2
83.01263	0.3
83.04890	1.3
83.39210	0.2
85.02820	14.0
87.00747	6.6
89.02319	3.6
93.03331	20.3
94.03661	0.8
95.01251	0.9
95.04917	0.3
96.95900	1.4
97.02850	0.6
97.06477	0.7
99.00761	0.9
99.04394	0.7
101.02323	3.1
102.16266	0.3
105.03313	0.3
108.02046	0.8
109.02808	3.0
111.00748	1.1
111.04391	3.5
113.02327	2.2
115.00276	0.4
117.01834	0.5
118.97958	1.6
119.03368	1.6
119.04879	0.4
121.02845	4.4
122.03623	0.4
123.00688	0.3
123.04379	0.8
124.01556	0.4
125.02293	0.4
127.03901	3.2
129.01828	0.6
129.59494	0.3
131.03339	0.4
132.02031	0.6
133.02849	1.7
134.03607	0.9
135.04411	1.7
136.01590	0.6
137.02342	4.0
138.03111	0.4
139.03896	1.1
143.03401	0.6
147.00800	2.2
147.04541	0.3
148.01556	0.7
149.02348	2.9
149.04402	0.4
150.03082	0.3
151.03911	0.6
153.01897	0.3
155.03381	1.2
160.01526	1.3
161.02344	1.9
161.04480	0.8
161.05981	0.5
165.01840	2.3
166.02562	1.0
171.02962	0.9
171.10194	0.3
173.04457	13.7
174.04811	0.8
177.01837	1.1
178.02634	0.5
179.03326	0.4
179.05516	1.1
181.01230	0.3
191.05527	100.0
192.00558	0.9
192.05873	3.4
193.01270	0.7
215.07124	0.3
235.09569	0.5
237.05585	0.4
247.04530	1.1
265.05154	0.7
275.09241	0.7
275.19128	0.3
280.07159	0.4
307.08200	0.3
339.08575	2.1
339.12262	0.4
351.07245	0.5
367.06635	0.7
374.06482	0.4
399.24393	0.3
423.19370	0.3
449.14481	2.4
465.13916	0.4
471.16901	2.6
471.23489	0.3
471.24646	0.3
481.17065	2.5
499.14484	0.5
503.42676	0.3
531.15125	2.8
531.28210	3.2
532.15570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.2
59.01250	100.0
61.98709	1.5
63.61205	0.8
67.01749	0.8
69.03323	3.2
69.55230	4.2
69.55654	2.7
71.01254	31.0
72.99177	1.7
73.02818	9.6
75.00778	1.3
81.03336	2.7
83.01244	3.3
85.02821	12.7
87.00745	3.0
87.04388	5.7
89.02312	10.4
89.05949	19.0
93.03323	7.1
94.02901	1.0
95.01262	1.4
96.95872	5.7
97.02843	1.4
98.19791	1.7
99.00758	2.4
99.04369	1.0
101.02319	16.1
111.00764	11.3
111.04379	1.2
113.02318	8.5
113.03515	1.1
113.05972	4.5
119.03374	3.5
121.02837	15.4
122.02354	3.9
125.02303	2.2
133.02803	1.5
135.04388	1.9
143.03442	4.8
155.03358	1.4
159.02809	1.4
161.04456	9.9
165.01836	1.6
170.04799	1.0
173.00876	1.4
173.04462	8.2
179.05486	1.6
191.05542	22.2
192.05952	1.6
225.05199	1.5
225.68753	1.0
233.10309	3.1
237.07623	28.4
247.97687	1.0
251.11308	31.6
252.11646	1.2
253.04573	1.3
291.08786	2.6
323.10205	1.0
381.06989	2.1
381.11859	36.1
382.12152	2.2
399.13025	4.0
425.74442	1.1
531.18903	1.0
531.28400	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	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26676	0.9
59.01249	100.0
69.85728	5.2
71.01248	21.8
73.02825	3.0
77.13668	0.8
83.01251	2.1
85.02821	5.9
87.00757	1.9
87.04382	1.9
89.02317	5.4
89.05961	3.8
96.95869	0.9
97.29929	0.8
99.00736	1.7
101.02327	8.2
113.02327	5.8
119.03368	1.0
121.02843	4.9
125.02354	0.9
137.34904	0.9
143.03345	1.2
161.04495	5.5
165.01909	1.9
191.05458	4.7
191.53317	0.9
233.10243	2.0
237.07611	5.8
251.11320	23.6
291.08713	2.7
313.70282	1.1
381.11884	29.9
382.12170	1.6
399.13007	2.5
531.27966	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	531.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71401	7.3
56.72644	7.0
57.01769	9.7
59.01249	56.6
61.98685	14.2
62.28238	7.4
69.03307	14.6
71.01243	52.2
71.04912	6.2
71.59354	10.2
72.99181	18.6
73.02806	14.9
74.94126	7.8
85.02812	16.5
87.00761	17.3
89.02303	36.3
93.03334	34.2
95.01227	6.6
96.95884	90.0
99.00734	10.7
101.02313	29.1
110.88294	7.0
113.02314	16.8
115.00200	8.5
118.97952	8.5
119.03359	17.9
119.97197	7.8
133.02870	39.2
135.04419	27.9
137.09563	7.1
143.03354	17.1
155.03383	8.2
161.02289	12.9
161.04277	7.3
173.04430	31.2
174.01698	9.3
177.01749	18.8
191.05559	100.0
209.11758	83.5
227.12801	19.9
253.04756	7.9
253.09256	11.2
284.25809	8.5
445.20703	7.9
447.04950	7.6
452.10992	8.1
531.21820	27.4
531.28119	21.6
532.31451	20.5
534.70026	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	531.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	97.1
69.03300	4.8
71.01245	46.8
71.59147	5.5
72.99174	11.0
73.02809	24.6
75.00732	10.1
80.39803	4.1
83.01232	10.7
85.02818	30.3
87.00736	17.0
88.05972	4.1
89.02320	40.5
93.03306	21.0
95.01202	4.8
96.95886	23.2
99.05519	5.3
101.02300	51.6
103.03902	10.9
111.04381	6.6
113.02303	17.0
115.00230	6.6
119.03347	9.8
120.99512	4.2
127.03947	4.6
128.03398	4.4
131.03418	9.3
132.29205	4.0
138.05388	4.4
143.03424	8.3
161.04520	5.9
163.05994	32.9
173.04474	15.2
179.05507	11.7
191.03938	8.6
191.05528	100.0
192.05960	6.7
205.07115	9.6
205.12227	8.1
209.11751	41.3
223.14842	4.9
225.05133	6.6
227.12849	5.3
253.04594	21.9
253.09135	10.1
261.90466	4.4
376.02051	5.2
531.20844	19.5
531.28168	10.4
532.19733	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	531.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79477	0.6
56.92676	0.6
57.03333	1.3
58.00467	3.6
59.01249	90.4
66.78334	0.6
68.01754	0.6
69.03322	0.7
69.48259	5.8
70.01052	0.6
71.01252	67.4
72.99173	4.6
73.02827	2.6
75.00761	1.2
83.01263	1.2
85.02823	14.5
87.00748	4.4
89.02314	100.0
90.02654	0.9
95.01255	4.6
96.95892	0.9
97.02873	0.7
98.19736	0.7
99.00739	1.2
101.02322	34.6
102.02631	0.7
113.02326	34.0
114.02685	0.8
119.03384	36.5
125.02303	1.3
131.03412	4.6
137.11392	0.6
143.02507	0.7
143.03392	8.1
149.04419	3.5
152.08270	1.2
153.09091	2.1
161.04460	7.2
163.05975	2.2
173.04457	1.0
179.05524	22.8
191.05540	3.4
205.06931	0.8
205.12218	2.4
253.04634	0.9
531.17255	1.2
531.24908	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	531.2805
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
53.82995	0.5
55.01754	5.6
57.03326	6.0
58.00464	3.4
59.01248	86.2
60.01574	0.8
67.01733	0.7
69.03317	3.0
71.01250	100.0
71.19366	0.6
71.19690	0.8
72.01573	0.9
72.99171	6.6
73.02814	21.7
75.00742	1.3
76.42409	0.5
81.03331	1.2
83.01249	12.1
85.02820	33.4
85.99957	1.1
87.00747	8.5
87.04375	0.6
89.02312	80.3
90.02611	0.7
93.03350	3.6
95.01257	4.3
96.95886	1.5
97.02837	4.6
97.06494	0.7
98.20417	0.6
99.00744	7.2
99.04401	0.7
101.02319	66.6
102.19073	0.5
109.02837	0.7
111.00761	8.2
111.04352	0.8
113.02322	28.5
115.03881	1.9
119.03373	10.1
121.02833	0.6
125.02317	6.9
129.01826	1.6
131.03389	38.9
132.03687	0.9
133.02840	1.0
135.04388	0.9
137.02306	0.6
143.03387	4.2
146.84195	0.5
149.04453	47.2
150.04813	0.6
159.02875	2.5
161.04456	14.0
162.04768	0.5
167.14322	0.9
173.04451	3.4
179.05540	1.8
191.05519	20.6
192.05870	1.4
195.80421	0.6
213.74251	0.6
215.05504	1.5
233.06601	5.9
246.04004	0.6
251.07753	0.7
285.08911	0.6
293.08795	2.7
381.22858	2.0
382.41901	0.6
399.23856	64.3
400.24240	3.3
404.50894	0.5
449.14267	1.0
471.21918	0.6
529.32898	0.6
531.28033	66.2
532.28491	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	531.3685
Annotation	Alisol E 23-acetate
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	0.7
71.58875	0.5
71.59341	0.6
72.10352	0.6
82.93334	0.5
116.92800	0.6
119.06234	0.5
154.50424	0.5
174.94719	0.5
196.38828	0.5
437.98117	0.7
471.35016	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	531.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01590	0.7
69.92693	0.8
69.93108	0.9
78.95771	0.4
98.19851	0.4
101.21682	0.3
121.02847	0.3
165.01869	0.3
195.19716	0.3
198.10809	0.3
418.89886	0.3
531.36987	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	531.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	0.7
75.79743	0.3
78.95762	0.8
81.85191	0.3
96.95883	0.3
97.06466	0.4
101.25648	0.4
127.21500	0.3
158.00832	0.4
186.64679	0.3
191.05565	0.6
228.77769	0.3
233.16118	0.3
282.53830	0.3
453.33710	9.0
454.34167	1.5
469.02768	0.3
474.26126	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	533.1663
Annotation	Amurensin
Peak:m/z	Relative Intensity
53.23779	1.1
59.01244	9.2
61.98693	2.0
65.67196	1.0
71.01253	10.0
72.99167	1.5
73.02814	3.0
85.02827	3.6
87.00739	3.5
89.02307	7.9
93.03333	3.2
96.95875	3.2
99.00779	1.4
101.02338	5.9
109.02862	1.0
113.02302	3.1
119.03371	2.1
119.04874	1.4
120.99488	1.3
121.02823	7.6
123.12514	1.1
131.03386	1.8
133.02789	1.0
135.04382	1.3
143.03438	1.6
145.02849	4.1
147.04378	4.2
148.05185	5.4
149.04430	2.3
161.04466	2.2
161.05975	1.3
162.03171	1.5
163.85025	1.1
173.02310	1.3
173.04448	2.2
176.04700	2.2
179.05467	1.2
180.04276	1.4
191.03654	8.4
191.05501	9.7
191.07080	10.6
192.04190	3.6
193.05000	1.1
195.08266	1.1
206.05746	2.6
207.08191	1.7
209.05936	1.9
220.03674	3.2
221.06111	2.6
222.06877	2.9
223.07611	5.2
224.03191	2.3
225.05449	1.4
235.05920	3.5
235.07887	2.3
237.05502	2.8
238.04509	5.3
239.07137	7.4
240.80302	1.1
249.05496	4.6
250.06270	2.5
251.03426	1.3
251.04588	1.5
251.07066	14.6
252.07835	2.1
253.04652	2.0
253.08621	2.4
261.05630	1.4
262.06351	2.2
263.07108	8.3
264.07889	5.2
265.05023	4.3
265.08618	2.2
266.05844	10.9
267.06586	35.7
267.09476	1.7
268.07166	3.3
269.08157	1.2
277.04971	2.7
277.08627	1.8
279.06570	20.5
280.07104	3.0
281.08215	8.6
282.08942	19.7
283.09500	2.1
293.04443	1.3
293.08371	1.7
294.05304	22.8
294.08929	10.0
295.06088	6.9
295.09106	1.5
296.10501	1.7
297.07962	1.7
297.11340	4.5
307.06198	3.5
308.06781	3.4
309.07645	24.2
310.05054	1.2
310.08395	6.1
310.11618	1.1
311.05722	2.5
321.07684	4.1
322.08475	5.7
323.05634	20.5
323.09253	3.7
324.05893	2.2
325.07272	5.0
326.07953	10.9
327.08673	1.6
327.12305	4.1
337.07190	4.0
338.07919	40.6
339.08151	2.6
340.09598	2.6
341.10266	71.1
342.10522	6.2
353.10275	100.0
354.10638	7.8
355.04099	1.1
371.11331	85.9
372.11771	6.4
395.11163	1.4
503.15436	2.4
525.02881	1.1
533.16742	16.5
533.25037	1.7
534.17017	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	533.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14969	1.1
55.75238	1.0
57.03321	1.5
57.15677	1.0
59.01245	16.7
61.98696	1.7
69.03354	1.8
69.23961	1.1
69.29805	8.7
69.30228	3.9
71.01255	14.7
72.83659	1.1
72.99175	3.7
73.02821	3.4
82.81061	1.3
83.01244	1.9
85.02819	6.5
87.00760	4.0
89.02307	11.7
90.58105	1.1
93.03347	4.1
96.95897	4.6
98.19812	2.3
99.00753	1.6
101.02324	9.7
109.02818	2.3
111.00678	1.3
113.02341	5.2
115.00271	2.1
119.03349	3.4
119.04915	1.5
120.99568	2.1
121.02845	8.3
123.04369	1.3
125.02346	1.4
135.04387	2.4
143.03500	1.3
145.02832	4.6
147.04424	7.2
148.05174	4.7
149.04466	3.8
150.03096	1.4
155.03392	1.3
161.04462	2.5
162.03149	1.7
168.56041	1.4
173.04530	2.8
173.05902	1.5
176.04703	2.4
177.01799	1.3
179.03319	2.0
180.04137	1.7
191.03436	7.6
191.05511	16.6
191.07088	10.4
192.04077	2.4
194.05792	1.4
195.08134	2.5
206.05745	1.4
207.08194	1.4
209.06035	2.0
211.07642	1.4
220.03596	2.0
221.06093	2.8
222.06865	2.3
223.07544	4.4
225.05377	1.6
234.06747	2.0
235.05847	2.4
235.07835	2.4
237.05502	3.5
238.04718	3.3
239.07028	5.8
248.04747	2.0
249.05505	5.1
250.06290	3.4
251.07068	12.7
251.09311	1.7
252.07736	1.8
253.04607	2.4
253.08714	1.9
257.04520	1.2
262.06305	2.6
263.07043	7.0
264.07864	3.9
265.05087	4.1
265.08469	2.0
266.05771	12.2
267.06595	30.3
268.07132	1.9
271.10236	1.2
276.04343	1.9
277.04980	3.2
278.05923	2.7
279.06586	22.3
280.07098	2.5
280.82990	1.1
281.08231	9.8
282.08960	15.7
283.09625	2.3
287.09167	2.2
293.04654	1.5
293.08163	2.6
294.05334	20.8
294.08932	8.1
295.06027	7.3
296.10675	1.8
297.11328	4.1
305.04373	1.5
307.06104	2.8
308.06680	2.0
309.07678	24.2
310.08337	4.7
311.05609	1.9
321.07581	1.7
322.08295	6.6
323.05573	18.2
323.09158	3.4
325.07208	5.4
326.07828	14.2
327.08755	1.7
327.12381	3.2
337.07129	2.3
338.07925	36.2
339.08221	2.4
340.09482	2.3
341.10266	77.9
342.10535	7.2
353.10272	100.0
354.10617	5.6
355.04459	2.2
371.11319	90.9
372.11606	7.7
395.11072	1.4
503.15530	2.1
533.16473	16.0
533.25092	2.0
534.17529	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	533.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.3
59.01238	1.5
59.80373	0.3
65.46203	0.3
70.65733	0.6
70.66113	0.5
71.01252	0.9
73.22546	0.3
83.04852	0.4
85.02822	8.5
87.00766	2.0
91.55114	0.3
93.03332	2.8
96.28701	0.3
102.86420	0.3
107.26252	0.2
109.02834	1.0
111.04393	1.1
114.64330	0.3
122.09064	0.3
127.03905	1.8
129.01788	0.3
135.04408	1.2
171.02884	0.4
172.91406	0.3
173.04471	1.3
191.05530	100.0
192.05865	3.0
514.32220	0.3
533.14996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	7.0
62.27892	0.5
71.02991	1.0
75.01318	0.5
78.95771	54.1
87.46480	0.5
96.96829	6.5
97.02674	0.4
109.28922	0.5
123.89251	0.6
150.97913	1.4
152.99480	100.0
153.99847	1.6
161.02362	1.4
171.00540	4.3
179.10561	0.7
182.87267	0.5
191.05598	0.6
196.89368	0.6
270.57300	0.5
365.26871	0.6
433.34396	0.5
461.94528	0.6
533.28912	7.6
534.29504	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	533.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48743	0.9
57.03323	2.4
59.01247	13.9
60.55654	0.8
67.01745	0.9
69.03326	13.8
70.92860	2.6
71.01257	2.1
71.04896	5.1
78.95772	24.9
82.12638	0.8
83.04931	0.9
83.84946	0.9
95.04875	1.2
96.95847	1.1
96.96841	1.8
97.02859	0.8
97.06459	3.4
107.08502	1.0
111.04401	0.9
123.08043	3.6
125.09618	6.7
137.09630	1.8
139.11186	1.0
149.09692	1.6
151.11195	9.8
152.99480	44.0
153.12727	2.5
155.18448	0.8
155.46408	0.9
161.09625	19.5
167.10706	1.1
171.00557	1.8
179.10684	56.1
180.11101	1.4
191.05470	1.5
197.11751	70.9
198.12097	2.4
213.72301	1.0
223.09657	6.0
223.13271	1.0
241.10764	100.0
242.11066	4.5
291.19647	8.8
309.20685	24.9
309.24237	1.4
310.20969	1.7
343.20212	1.0
365.27173	1.1
471.31104	1.5
474.69632	1.1
515.30042	3.0
533.31128	39.1
534.31201	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	533.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89080	0.6
59.01247	100.0
60.01559	0.6
61.98705	0.6
63.27313	0.6
63.54274	0.6
70.47002	0.5
97.06472	0.8
98.19732	1.1
152.99387	0.7
190.25742	0.6
190.99831	1.3
191.05544	0.7
199.13426	1.3
206.02222	0.6
217.00264	0.7
279.19473	1.0
307.19052	0.6
347.26257	0.6
365.26871	6.5
451.19312	0.6
452.23077	0.5
452.98026	0.7
473.36371	1.9
533.29547	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	533.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01580	0.7
60.57135	0.2
61.98703	0.4
68.55611	0.2
71.18861	0.3
71.19215	0.2
106.28832	0.2
108.88850	0.2
109.02779	0.2
191.05600	0.2
287.03281	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	533.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92871	0.2
59.01248	100.0
60.01586	0.7
69.86518	0.7
70.19675	0.2
77.97330	0.1
82.69392	0.1
95.92582	0.1
96.95862	0.2
98.20470	0.2
107.64696	0.1
171.10202	0.1
191.05481	0.2
191.17618	0.2
217.00345	0.4
280.55301	0.2
374.98969	0.2
424.76270	0.2
509.80969	0.2
533.30701	0.3
545.42407	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	533.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34680	0.3
59.01249	100.0
60.01589	0.7
69.75397	1.2
93.09455	0.2
130.52397	0.3
135.04413	0.3
170.24254	0.3
217.00305	0.4
283.34607	0.3
399.56110	0.3
515.29700	0.2
533.31012	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	533.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88018	0.3
59.01249	100.0
59.05680	0.3
60.01588	0.8
69.48737	2.8
75.69514	0.3
78.95811	0.4
87.65839	0.3
88.92882	0.3
89.32069	0.3
96.95899	0.4
100.58290	0.3
115.12463	0.3
119.68559	0.3
217.00345	0.6
225.05360	0.6
227.94952	0.3
306.84494	0.3
307.19315	0.4
374.99329	0.5
391.94537	0.4
473.36685	1.3
533.31232	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	533.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54161	0.1
59.01249	100.0
60.01581	0.7
62.60095	0.1
65.71877	0.1
71.22327	0.2
71.22670	0.2
76.82038	0.1
89.57066	0.2
96.10183	0.1
96.95894	0.2
97.06494	0.5
189.65503	0.1
191.05644	0.4
217.00270	0.2
224.50648	0.1
276.28857	0.1
334.07452	0.5
391.14325	0.2
416.07736	0.2
469.64578	0.2
473.36517	0.7
533.02216	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	535.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10625	0.6
57.03318	0.6
59.01249	6.4
65.91061	0.6
68.65234	0.5
68.99695	2.4
69.03325	0.8
69.93818	2.3
69.94221	1.2
71.01256	7.4
73.02818	27.0
80.26634	0.5
85.02830	2.3
87.00760	0.6
89.02331	4.7
95.01258	8.8
101.02323	11.0
102.71400	0.6
113.02319	1.4
119.03381	2.1
123.04407	7.0
153.31180	0.6
155.03406	100.0
156.03732	1.8
211.06042	0.6
303.07217	4.5
341.12643	0.6
355.09943	0.7
535.16693	59.6
536.16986	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	535.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57000	0.6
54.77552	0.7
57.03314	1.1
59.01248	10.1
67.01749	3.0
68.99674	5.9
69.03310	3.1
69.49298	1.8
69.49708	4.9
71.01257	9.9
72.99174	0.8
73.02814	22.9
85.02822	2.1
87.00750	5.4
89.02314	6.8
93.03339	0.6
95.01260	18.3
97.02828	1.8
99.00742	7.5
100.07985	0.7
101.02316	15.7
113.02338	1.0
117.01794	1.8
119.03380	2.6
121.02871	1.3
123.04426	9.9
124.17172	0.9
127.03893	5.6
127.37034	0.7
130.69925	0.7
131.03419	1.4
147.02863	2.8
149.02301	1.0
155.03403	65.0
156.03699	0.9
170.65504	0.8
181.05019	0.8
185.03218	0.6
187.74709	0.7
191.05490	1.0
201.89822	0.7
213.02260	0.7
225.07643	1.6
225.75960	0.8
270.70880	0.7
303.07101	4.5
341.08670	1.8
475.14709	0.9
499.73349	0.9
535.16656	100.0
536.16864	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	535.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.5
63.86761	0.8
67.01765	5.5
68.99690	8.8
69.03329	12.8
69.67693	2.3
69.68108	3.6
71.01253	6.6
73.02829	4.4
83.15832	1.0
85.02811	1.4
87.00747	1.6
89.02332	5.9
93.03303	1.2
95.01267	16.4
96.95889	1.9
97.02831	1.8
98.20562	0.9
99.00759	5.0
101.01689	1.5
101.02325	20.0
113.02325	2.0
119.03369	1.7
121.02845	1.2
123.04418	5.8
127.03912	20.8
132.40179	0.8
133.02824	1.8
149.02328	1.9
155.03407	100.0
156.03723	3.0
191.05574	3.1
193.04993	1.8
197.21159	0.8
203.82327	0.9
211.06027	2.6
241.07132	1.9
269.07709	0.9
273.05872	1.1
301.52155	0.8
303.07205	19.0
352.34052	0.9
373.11142	1.2
403.55020	0.9
417.25507	1.0
505.15289	1.4
523.15533	1.0
535.16681	77.3
536.16974	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	535.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	2.2
58.00440	1.4
59.01249	13.2
67.01755	17.4
67.62091	1.3
68.99678	4.2
69.03065	1.2
69.03332	13.8
69.70818	3.5
69.71228	6.7
71.01246	19.7
72.99152	1.6
73.02811	7.4
74.56618	1.4
74.70921	1.4
75.00748	8.9
80.02081	1.4
85.02818	9.3
87.00734	10.8
89.02308	11.6
91.92935	1.4
93.03347	3.4
95.01266	24.3
95.01834	2.8
96.95897	2.1
97.02811	11.1
99.00739	3.3
99.83533	1.8
101.02324	22.2
102.01836	2.1
109.02824	3.0
112.09653	1.5
113.02332	15.3
118.95066	1.6
119.03381	2.8
121.02792	2.3
123.04394	11.3
124.01520	2.0
127.03897	71.7
129.01830	1.8
129.09575	1.5
131.03365	8.7
133.02875	2.0
135.04434	1.9
137.02345	4.0
138.01872	2.6
149.02324	3.7
149.05962	4.6
151.03943	2.5
152.04672	9.1
155.03401	99.9
156.03709	3.8
161.04440	2.7
167.07036	6.0
171.10294	2.0
173.04530	1.5
179.05527	2.6
191.05533	8.0
193.05019	11.6
211.06041	15.1
228.58780	1.8
257.08127	2.1
285.11237	9.7
303.07233	24.4
373.11331	4.4
396.65427	1.7
475.14841	2.2
502.18320	1.6
535.16620	100.0
536.16931	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	535.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.2
57.03312	2.6
59.01246	8.8
65.22766	0.6
67.01756	7.5
67.93921	0.6
68.99687	6.0
69.03331	3.0
69.03650	0.5
70.64300	1.7
71.01244	10.0
73.02814	22.6
75.00733	0.9
83.01257	0.7
85.02832	4.2
87.00739	3.4
87.04385	2.0
89.02312	6.6
95.01262	13.4
97.02828	2.4
99.00757	9.6
101.02320	23.0
102.02630	0.5
103.03854	0.6
113.02341	3.7
117.01105	0.6
117.01820	3.2
119.03358	2.7
121.02791	1.5
123.04413	10.5
127.03897	22.6
128.04189	0.7
129.01811	1.7
131.03392	43.4
147.02914	3.7
149.02306	2.1
155.03401	42.1
156.03766	0.8
179.05527	1.0
181.05013	1.1
182.02289	0.6
191.05461	1.2
193.04832	0.6
211.06049	0.7
225.07639	1.5
303.07187	31.5
304.07626	1.3
341.08807	1.0
373.11523	0.7
377.28705	0.7
454.74139	0.6
462.01929	0.6
535.16663	100.0
536.16974	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	535.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92088	0.9
55.01751	7.9
57.03319	1.3
59.01251	11.7
67.01760	8.3
68.99685	6.5
69.03314	3.7
70.59007	2.0
70.59341	1.2
71.01249	11.3
72.26115	0.9
72.99174	2.9
73.02806	1.4
75.00741	13.7
83.01250	1.1
85.02808	5.6
87.00755	2.3
89.02319	6.8
93.03344	1.0
95.01257	24.5
96.95897	7.4
97.02833	3.8
98.13433	0.9
101.02319	13.4
109.93914	0.8
112.80653	0.8
113.02309	1.8
117.01817	1.4
119.03359	1.8
121.02793	1.9
123.04417	10.0
127.03896	23.1
129.01839	6.4
131.03395	9.9
141.01785	1.3
147.02878	3.2
149.02357	1.5
149.04442	1.9
155.03398	82.3
156.03706	1.9
173.04573	0.9
175.39894	0.9
179.05573	1.4
181.04919	0.9
185.00801	1.0
191.05515	8.6
206.91637	1.0
271.04623	2.0
303.07202	15.1
304.07532	0.9
341.08795	3.1
354.91962	0.9
446.96030	0.9
535.16644	100.0
536.17078	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	535.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.9
57.03313	1.2
58.00459	0.9
58.03159	0.5
59.01247	28.0
60.01558	0.6
67.01736	0.8
68.58976	0.5
69.03326	1.1
69.98094	2.1
69.98508	1.0
71.01248	18.9
72.99177	2.6
73.02813	5.2
74.02355	0.8
75.00751	3.4
79.23198	0.5
81.03309	0.8
83.01244	3.1
85.02814	7.7
87.00727	3.7
89.02309	6.4
91.01765	0.6
93.03329	64.7
94.03645	1.3
95.01268	2.0
97.02808	0.7
97.06451	1.1
99.00740	0.8
99.04390	0.6
101.02318	13.7
103.03881	1.0
106.89888	0.4
107.04899	2.9
108.02045	2.1
109.02832	1.0
111.00749	1.3
111.04388	1.0
113.02336	5.8
115.00257	1.0
119.03399	1.4
119.04860	0.6
120.99523	0.9
121.02838	34.9
125.02319	0.9
125.09601	0.5
127.03886	1.2
130.35521	0.5
131.03375	1.5
133.02873	0.8
135.04439	1.4
136.01527	1.4
137.02335	100.0
138.02672	2.2
143.03383	2.1
145.04993	0.7
149.04498	0.6
151.03893	1.9
153.49753	0.5
159.02911	0.7
161.02393	1.1
161.04431	2.6
161.05894	0.6
171.10167	1.2
173.04434	2.6
175.02348	0.8
175.03853	0.6
175.07474	0.5
179.03404	1.2
179.05603	0.5
183.08089	0.6
191.03699	0.9
191.05537	12.0
192.05884	1.1
197.05989	10.1
199.07567	4.4
205.05110	0.6
205.07031	1.2
209.06116	0.9
211.13297	0.8
225.05603	0.6
227.07074	71.5
228.07462	3.2
265.07281	0.6
273.56540	0.6
277.21765	0.9
281.06613	8.1
299.07675	7.1
304.42706	0.5
353.08786	1.7
355.24973	1.2
356.57449	0.6
371.14575	0.5
373.25934	3.2
415.23358	0.5
427.12198	3.3
428.12811	0.6
457.28275	0.9
475.29205	1.0
505.31183	0.8
517.29663	0.5
535.31366	45.6
536.20337	0.8
536.31445	0.9
537.33325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1817
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
51.83194	0.7
55.17206	0.6
57.03270	0.6
57.29507	0.6
59.01247	7.8
63.96114	1.2
65.87048	0.8
71.01260	4.6
71.01598	0.6
71.58629	1.0
72.99170	2.1
73.02819	1.5
74.98975	1.2
75.00761	1.0
77.79610	0.9
85.02804	3.3
87.00745	1.6
89.02306	3.5
93.03334	3.8
96.95870	1.5
99.00750	0.8
101.02296	3.4
108.02035	1.4
108.77239	0.7
109.02848	1.4
113.02305	2.0
117.97153	1.0
119.03354	0.9
121.02837	12.4
123.04391	2.3
134.03571	1.7
135.04396	2.6
135.98282	1.9
136.99028	0.7
137.02321	0.7
145.02849	2.2
147.04417	5.7
149.04308	0.7
149.05884	1.1
155.03400	1.6
159.04448	2.1
160.05180	2.8
161.04456	0.8
161.05910	1.4
162.06731	1.3
163.05989	1.6
173.04448	2.9
175.07544	1.3
178.06288	0.7
179.03549	0.9
191.05528	18.2
193.05020	3.6
194.05800	1.5
209.11757	1.4
225.05510	1.6
237.05510	0.9
239.07068	2.3
240.04161	1.0
241.04942	2.0
241.08633	2.0
251.07126	1.4
252.07837	1.2
253.05009	2.2
253.08665	1.5
254.05673	1.6
255.06564	6.1
263.07202	1.3
265.08588	0.9
267.06592	16.3
268.07370	5.7
269.08136	22.9
270.08597	1.8
280.07346	4.7
281.08173	7.5
282.08914	2.1
283.09723	15.3
284.10269	4.0
295.09634	6.8
296.10413	3.4
297.11279	0.9
299.12805	2.5
310.08374	1.0
311.09244	19.7
311.12827	1.7
312.09796	1.1
323.09311	1.8
325.07217	1.5
325.10760	1.0
328.09512	9.6
329.10019	1.2
329.13913	8.4
339.08545	0.8
340.09470	25.9
341.09802	1.5
343.11816	100.0
344.12170	5.8
355.11838	57.8
356.11957	3.6
368.27661	0.8
373.12860	19.5
373.17651	1.0
374.13150	0.8
535.17731	12.5
536.19452	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	535.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	4.5
56.41137	1.5
57.03308	3.7
59.01249	43.1
61.98672	2.0
62.89791	1.6
67.01734	4.9
68.99669	6.6
69.03304	6.0
71.00893	2.2
71.01251	29.1
71.07671	2.5
71.07987	2.4
72.99153	5.7
73.02798	4.3
74.98907	1.7
75.00742	20.1
77.35547	1.7
79.95585	1.9
80.53774	1.5
82.56559	1.5
83.01254	2.7
85.02805	11.0
87.00755	3.2
89.02313	23.9
93.03312	3.8
95.01263	29.8
95.04891	1.7
96.95889	18.4
97.02814	3.1
98.02347	2.2
99.00760	3.3
101.02319	23.7
104.04890	1.9
106.06458	1.8
108.02028	2.2
108.04393	5.4
109.02724	2.2
113.02333	9.6
115.00235	3.9
118.97959	2.4
119.03371	6.6
121.02831	4.3
123.04353	7.2
127.03923	9.2
127.04649	1.6
129.01799	4.2
131.03363	5.1
132.04449	39.3
133.02876	2.4
134.06009	27.9
137.02222	2.4
148.03899	2.7
149.02322	3.0
149.04413	3.2
151.03885	2.4
152.07045	2.9
153.01759	2.0
155.03400	92.4
155.04665	4.3
156.03714	2.4
158.05978	4.2
165.05472	2.1
173.04503	3.1
176.03438	12.8
179.05449	2.2
180.02872	1.8
185.00839	2.0
187.09396	2.0
188.03445	2.5
189.16661	1.9
191.05534	26.4
208.05981	3.4
251.11769	6.0
279.11426	12.3
295.10754	3.2
303.07034	6.3
323.10141	7.7
435.17453	4.7
459.17786	14.9
503.16687	100.0
504.16977	12.3
517.18469	2.3
535.16534	61.3
536.16876	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	535.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
58.00454	1.3
59.01248	25.1
60.51907	0.4
68.99697	0.6
69.71786	1.4
69.72198	1.1
71.01252	13.2
72.99166	1.3
73.02814	1.8
83.01260	0.9
85.02839	3.0
87.00739	0.8
89.02315	13.2
89.58462	0.4
93.03310	0.6
95.01280	1.3
96.95886	3.5
98.19875	0.8
99.00752	0.7
101.02317	9.4
104.04939	1.9
106.06494	1.7
108.04437	3.2
112.05479	0.4
113.02334	4.3
118.12891	0.4
119.03381	4.3
120.27348	0.5
122.05998	0.8
132.04443	32.2
133.04750	1.4
134.06010	21.4
143.03430	1.0
143.04491	0.5
144.04555	0.7
145.04866	0.6
148.03918	1.7
150.05482	0.6
152.07051	1.7
155.03406	1.0
158.02324	0.5
158.06046	2.6
160.03940	0.6
163.06012	3.2
169.73221	0.4
175.02573	0.5
176.03453	6.6
179.05533	0.6
188.03447	2.7
190.05002	4.5
191.05574	3.4
202.05060	0.5
205.07059	0.8
208.06007	0.9
209.11761	1.7
227.11813	0.5
234.95517	0.4
251.11867	4.8
253.09612	0.6
255.11371	1.8
267.11264	0.4
279.11362	14.7
280.11697	0.9
295.10974	3.6
297.12415	0.5
306.07745	0.8
307.07910	0.6
314.12350	3.1
323.10370	7.7
324.10397	0.7
337.12033	0.9
373.13031	0.6
431.18124	0.6
435.12219	0.6
435.17776	6.4
459.11246	0.9
459.17740	17.7
460.18033	1.3
475.17160	2.8
503.16693	100.0
504.17007	12.0
517.18127	7.2
518.18408	0.7
535.19037	11.1
536.19574	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	535.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.6
57.03322	4.2
58.00459	2.0
59.01248	36.7
59.67065	0.4
61.98690	0.6
62.20439	0.3
67.01749	0.5
68.99685	0.5
69.03317	0.9
71.01250	31.4
71.58982	0.7
72.99174	4.0
73.02815	11.0
74.07259	0.3
75.00726	1.7
77.37100	0.4
80.72948	0.4
81.65338	0.3
82.60623	0.3
83.00792	0.6
83.01254	7.4
83.72249	0.3
85.02818	17.4
85.99940	0.8
87.00759	3.0
89.02313	11.3
92.14983	0.3
93.03318	4.4
95.01248	3.1
96.95893	0.6
97.02804	0.8
99.00753	4.6
101.02317	30.0
108.02030	0.5
109.01598	0.7
109.02827	9.1
111.00735	1.6
113.02320	10.2
119.03374	4.8
119.04825	0.4
121.02835	36.3
122.03684	4.6
123.04383	0.7
124.01542	0.7
125.02382	0.6
126.41740	0.3
129.01834	1.3
131.03358	0.8
135.03407	0.6
135.04410	10.8
136.01578	0.4
137.02301	1.5
141.01787	0.5
143.03374	1.1
147.04407	1.5
148.05185	0.7
149.02327	0.4
150.03119	0.9
151.03952	0.9
154.02605	1.2
155.03326	0.5
159.02873	1.7
159.04332	0.6
161.02332	0.5
161.04445	3.0
161.05859	0.9
163.03908	10.9
164.04605	1.5
173.04529	0.6
175.03766	0.5
175.07535	0.9
176.04718	0.7
177.05486	0.7
179.05519	0.9
179.06923	0.5
191.05540	3.4
191.07056	0.9
196.13696	0.4
282.08917	1.3
283.09775	1.0
284.10583	0.5
297.11246	4.3
298.12018	1.4
327.12476	0.7
328.12897	0.8
341.13837	1.0
344.12656	0.9
355.15475	1.4
357.13428	1.5
358.09564	0.9
358.14178	49.4
359.14758	7.3
373.16516	80.1
374.16858	6.6
520.19373	0.8
523.36462	0.4
535.21832	100.0
535.30432	5.9
536.22144	12.5
553.52783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38177	0.5
55.01763	4.3
56.54095	0.5
57.03321	3.0
58.00447	2.2
59.01250	39.6
60.44174	0.5
61.98691	1.1
67.01730	0.5
68.99668	0.5
69.03306	1.2
69.59125	4.1
71.01250	38.2
72.99175	4.3
73.02434	0.9
73.02814	12.9
73.92150	0.6
75.00725	2.4
83.01254	9.9
84.02041	0.7
85.02820	20.4
85.99934	0.8
87.00748	4.3
89.01816	0.9
89.02316	12.7
93.03338	4.5
95.01249	2.4
97.02813	0.9
99.00742	5.2
101.02316	32.5
109.02837	9.8
111.00744	1.8
113.02321	12.7
119.03401	5.4
119.04958	0.6
121.02840	35.9
122.03681	3.6
123.04430	0.8
124.01533	0.8
125.02344	0.7
129.01807	1.2
131.03354	0.8
131.04944	0.6
134.03622	0.7
135.04410	13.9
137.02319	2.0
141.01810	0.8
143.03438	1.1
146.03555	0.7
147.04402	1.8
149.04407	0.7
150.03171	1.1
154.02582	1.4
155.03383	0.9
158.83273	0.6
159.02861	1.9
161.02402	0.9
161.04471	3.3
161.05801	0.7
162.03223	0.7
163.03909	9.3
164.04590	1.6
173.04468	1.5
173.05867	0.6
177.05388	1.0
189.05434	0.8
191.05542	6.1
192.04190	0.5
239.06934	0.6
254.45685	0.5
282.09079	1.5
283.09634	0.9
293.87057	0.6
297.11441	3.9
297.14365	0.7
298.12039	1.2
327.12198	1.1
344.12955	1.1
355.15643	0.8
357.13516	1.7
358.14185	51.2
359.14761	7.6
360.15268	0.6
373.16534	82.3
374.16876	5.5
389.58063	0.6
520.19287	1.1
535.21844	100.0
535.30664	8.5
536.22186	10.6
536.30597	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	535.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	5.1
59.01248	100.0
61.98677	4.1
68.99667	3.0
69.03309	6.6
69.80807	17.1
71.01244	44.1
72.99168	11.6
73.02807	14.8
75.00727	8.5
80.96385	3.3
83.01230	9.1
83.04912	3.1
85.02811	22.9
87.00740	10.8
89.02312	28.2
93.03328	15.8
95.01262	5.8
96.95875	7.6
97.02782	2.5
99.00752	5.4
101.02307	34.1
113.02309	11.3
117.97160	4.6
119.03365	10.9
120.99541	3.1
121.02863	14.2
122.03625	5.3
125.16815	2.8
131.03334	3.4
133.02795	4.4
134.03641	2.8
135.04372	12.3
137.02306	3.4
138.66016	2.5
143.03345	2.9
145.02820	3.2
149.02301	14.2
150.03108	13.4
155.03372	5.7
161.02348	5.7
161.04428	8.2
173.04417	9.4
177.01802	2.8
179.03406	3.3
179.05502	5.7
179.06958	3.4
187.97202	3.1
189.05443	3.2
191.05518	55.6
211.07539	3.4
294.24661	2.8
305.11395	2.5
329.10452	4.1
361.08994	3.8
373.17044	3.6
373.22110	9.9
407.92520	2.8
481.21289	2.6
505.18503	5.1
535.19373	21.5
535.26465	41.8
535.31616	36.7
536.26300	3.7
536.32727	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	535.3119
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01754	1.3
57.03314	2.8
57.48025	0.6
58.00452	1.1
59.01249	86.4
60.01579	0.9
61.98705	1.4
63.34398	0.8
67.01749	1.3
69.03325	1.9
70.76908	1.3
70.77261	1.7
71.01249	24.8
72.99162	3.7
73.02818	6.8
75.00737	2.2
80.96369	0.6
83.01252	3.2
83.04882	1.3
85.02818	11.4
85.99943	0.7
87.00748	3.0
89.02313	13.7
93.03333	3.8
95.01278	1.7
96.95903	1.8
97.02839	1.0
97.06463	0.9
99.00750	3.0
99.04374	1.1
101.02316	19.2
109.02811	0.8
111.00765	1.1
111.04433	0.9
113.02328	10.3
118.50352	0.7
119.03377	5.7
120.99538	6.9
121.02834	1.1
125.02364	1.1
127.07537	0.7
131.03386	1.3
135.04387	2.9
137.02425	1.1
139.83838	0.7
143.03401	1.3
147.19067	0.8
149.02361	1.0
151.07477	0.9
155.03383	1.4
159.02934	1.3
161.04483	4.6
167.10631	1.4
173.04491	3.5
173.05801	0.9
179.03416	0.9
179.05540	3.6
185.11823	0.9
191.05537	16.7
192.09087	0.7
215.06908	1.1
221.51472	0.8
253.09363	0.8
276.32364	0.7
277.21741	1.4
295.17188	0.8
295.22714	1.5
313.17987	0.7
373.21976	1.7
373.26031	2.0
375.20212	0.9
396.21918	0.7
413.21875	0.9
439.26688	1.2
457.28336	2.5
475.29114	2.9
517.30127	1.3
535.31226	100.0
536.31738	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	535.3118
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01753	1.5
57.03318	2.1
58.00460	0.9
59.01246	65.1
60.01591	0.8
60.21425	0.4
61.22577	0.4
61.98701	0.7
63.36504	0.4
64.64994	0.4
67.01764	0.5
69.03339	0.5
71.01250	17.2
71.35754	0.8
72.99165	1.9
73.02811	6.4
75.00748	3.5
78.95780	1.0
83.01247	4.2
83.04919	0.5
85.02823	10.3
85.03345	0.7
85.13034	0.4
85.99985	0.6
87.00749	2.8
89.02313	6.1
93.03323	6.7
95.01273	1.2
97.02820	0.6
97.06483	0.5
99.00755	2.6
99.04453	0.4
101.02314	16.4
107.63847	0.4
108.02014	0.6
109.02821	0.9
111.00798	1.9
111.04383	0.8
113.01591	0.8
113.02335	8.1
119.03381	1.7
119.04903	0.4
120.99541	0.5
121.02844	2.3
123.08025	0.5
125.02335	0.5
129.01845	0.8
131.03415	0.8
135.04366	0.9
137.02328	6.1
143.03407	0.9
149.04465	0.8
152.99492	0.5
155.03377	0.6
159.02902	0.9
161.04453	2.9
166.65872	0.4
171.10188	0.6
173.04478	2.4
179.05522	0.6
187.07451	0.5
191.05527	9.8
192.05916	1.0
195.99612	0.5
197.05978	0.6
201.14709	0.5
215.07123	0.6
227.07040	4.7
229.08711	0.5
243.19691	0.7
277.21698	1.5
281.06552	0.7
293.07861	0.4
295.22827	0.9
299.07706	0.6
313.23834	0.5
332.86804	0.4
355.24658	0.6
373.26031	1.6
405.24762	0.7
415.23257	0.7
417.24683	0.6
424.28317	0.4
439.27139	1.2
457.28122	5.2
475.29428	3.1
517.30133	1.0
518.19489	0.5
535.31226	100.0
536.31641	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	535.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.3
59.01251	10.6
61.98716	0.9
78.95758	4.6
80.02547	1.8
81.03330	1.9
83.04897	6.1
83.92960	0.8
84.02016	2.0
84.13248	0.8
93.03278	0.9
96.95898	1.8
107.04924	1.1
109.06464	1.0
111.08051	0.8
121.06493	1.5
123.04387	2.2
123.08050	6.6
125.09577	1.5
135.08020	0.9
137.09608	0.8
139.11189	2.5
142.02570	2.0
147.11790	0.9
149.09572	1.5
151.11165	2.9
152.99484	6.6
155.14308	1.0
162.86057	0.8
163.11160	5.4
165.12772	3.2
181.12285	0.8
191.05560	0.9
191.10733	1.3
198.47531	0.8
199.13306	14.1
201.11255	1.6
209.11760	100.0
210.12083	5.0
221.11781	1.0
227.12813	21.5
228.13164	1.2
233.15405	1.0
233.23302	0.9
237.11189	0.9
245.18980	5.4
247.17029	1.0
268.48795	0.7
271.16895	0.9
289.18082	44.4
290.18341	3.0
307.19119	66.4
308.19464	4.3
325.20255	1.2
535.32251	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	535.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62014	2.1
57.03333	2.5
59.01248	100.0
61.07565	2.3
61.98694	4.2
67.01748	3.7
68.99680	3.0
69.03320	5.9
70.43572	9.3
71.01252	39.8
72.99182	5.6
73.02813	16.7
75.08421	2.3
76.14465	2.2
78.95768	3.8
79.10423	2.1
80.96383	2.9
83.01261	4.6
83.04916	2.5
85.02812	19.6
87.00755	14.7
87.04399	3.7
89.02313	30.8
93.03349	12.5
96.95902	2.7
97.02823	2.5
97.06480	2.8
99.00736	3.8
101.02318	42.0
103.03883	10.4
109.02858	3.9
111.04356	3.2
113.02364	11.2
115.03842	4.6
119.03401	8.1
119.04921	4.3
120.99538	3.5
121.36157	2.5
125.02332	3.5
127.03856	2.7
131.03394	14.9
133.02771	3.7
135.04379	2.6
143.03389	9.5
145.04977	4.0
147.04391	2.7
149.04495	4.6
150.03114	2.9
153.61227	2.3
161.04514	3.8
163.03928	3.9
163.06023	45.6
173.04446	8.1
178.02579	4.5
179.05537	4.1
187.07556	6.6
191.05518	23.3
192.05798	3.6
201.05478	3.0
201.09270	3.8
202.06265	3.7
203.07068	5.5
205.07083	19.2
214.06378	3.9
215.07095	4.4
229.08656	6.4
230.09218	2.4
231.10071	3.5
233.08092	5.9
247.09671	7.7
257.08130	3.1
289.18698	2.6
329.10245	2.5
337.23868	3.3
345.17014	3.1
373.25522	3.2
402.63318	2.9
475.25256	28.0
505.17728	2.7
535.19531	10.2
535.31598	21.5
536.31793	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	536.344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75444	1.8
55.01745	2.1
55.50116	1.2
57.03315	3.4
58.00456	3.4
59.01251	100.0
60.01583	1.4
61.98708	3.1
62.32138	1.3
62.68212	1.3
70.08112	6.8
71.01254	58.9
72.04408	3.7
72.99175	6.8
81.03315	1.5
83.01251	3.3
85.02821	10.1
87.00764	1.8
89.02315	84.7
92.12872	1.2
95.01248	3.9
96.95887	5.8
101.02324	41.9
113.01604	2.1
113.02332	22.6
119.03387	41.5
131.03329	2.4
143.03429	5.9
149.04510	2.8
161.04475	6.3
171.10336	1.7
179.05528	19.2
209.11815	8.1
225.22173	21.6
227.12912	1.4
241.54805	1.3
253.21616	3.6
255.23303	1.8
271.22705	13.9
291.19769	5.9
309.20737	3.5
326.23099	2.6
326.26993	52.0
327.27362	2.8
356.28024	8.5
374.29041	12.2
375.29446	1.9
536.34503	57.2
537.33966	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	537.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43431	3.3
55.01740	3.6
57.03295	4.9
58.00468	6.0
59.01249	56.4
63.96095	9.4
68.68491	3.8
69.03313	6.7
70.87733	3.6
70.93219	11.0
71.01257	40.7
72.99177	11.8
73.02810	18.1
74.98962	13.4
75.00739	11.6
79.55630	3.5
83.01246	6.7
85.02803	21.2
87.00726	15.4
89.02310	39.0
93.03342	7.1
99.00764	4.2
101.02322	35.4
109.02804	5.8
113.02352	13.1
117.97162	8.8
119.03432	4.7
121.02879	5.1
131.03355	14.3
135.98248	30.1
136.99048	22.3
137.97763	4.6
143.03398	5.0
149.04427	25.3
154.27901	4.5
161.04471	7.2
163.05936	4.2
173.04506	5.5
191.05540	43.0
193.38037	5.0
213.09151	19.9
243.16170	4.1
331.79282	4.0
348.74988	3.8
375.07050	6.7
375.14243	6.9
387.20193	4.1
405.21326	10.8
537.20544	50.0
537.25330	100.0
538.20776	6.5
538.26416	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	539.138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00444	2.1
59.01245	32.6
63.17681	2.4
67.81434	1.9
69.36304	18.9
70.36629	1.8
71.01251	35.7
72.86729	2.2
73.02821	2.4
73.93255	2.3
81.29350	1.9
85.02839	5.9
87.00747	9.9
89.02309	46.5
95.01238	2.9
101.02310	24.5
113.02322	18.2
119.03376	6.1
121.02833	7.6
135.04375	17.3
143.03398	3.8
149.04536	2.6
161.04431	9.2
179.03435	10.8
179.05518	40.4
191.05505	3.2
197.04465	8.3
202.26765	2.2
217.05019	2.7
221.06567	23.4
238.58473	2.3
262.37027	2.3
323.09708	3.0
339.07239	7.8
341.08716	8.1
377.08475	16.3
383.11832	3.5
501.12442	4.9
503.16180	100.0
504.16534	6.6
539.13831	58.9
540.14478	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33577	2.1
50.74939	1.9
55.01759	2.8
57.03312	2.2
58.00472	3.7
59.01250	67.7
67.01756	2.1
71.01250	54.7
71.16138	4.6
72.99181	6.1
73.02819	7.2
75.00737	4.3
83.01265	4.6
83.39878	2.2
85.02819	19.4
87.00746	5.1
89.02322	63.6
93.03326	6.2
95.01273	6.4
96.95878	3.0
101.02320	36.1
102.01862	2.6
113.02317	21.8
118.06484	2.8
119.03384	20.6
121.02843	8.6
122.03633	13.3
125.02303	2.3
133.02797	6.6
135.04372	4.4
136.03900	11.4
138.05525	4.4
146.06029	10.1
147.04395	2.7
149.02325	29.6
149.05969	2.1
150.03128	100.0
151.03532	4.1
161.02339	2.3
161.04430	5.6
162.03134	19.1
163.03806	2.5
164.04716	6.6
165.01735	2.8
165.05482	88.1
166.06287	14.0
167.03273	2.1
173.04440	3.2
176.03883	2.7
177.01889	2.7
177.05458	15.5
178.08678	3.7
179.05534	8.8
180.04224	11.5
181.04918	2.5
181.08633	9.0
191.05527	9.1
195.06560	50.2
216.47302	2.1
222.07611	6.9
254.06415	2.7
314.11694	5.2
329.14050	8.4
343.13983	16.8
359.12488	3.7
377.16022	3.4
491.19254	83.8
492.19492	7.8
524.08289	2.2
539.20978	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	539.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.7
57.03321	1.4
58.00459	1.1
59.01252	16.5
67.01775	0.8
67.24177	0.5
69.03326	0.6
69.69420	1.3
69.69827	3.2
70.73282	0.6
71.01248	16.7
72.99172	2.4
73.02815	6.1
75.00745	2.1
83.01251	5.7
85.02821	11.2
85.99960	1.8
87.00744	2.9
89.02319	3.9
93.03326	2.9
95.01252	1.7
95.04925	0.7
96.95872	1.7
97.02833	0.8
98.20544	0.8
99.00745	2.7
101.02320	15.7
106.02090	0.6
108.02048	1.9
111.00755	1.3
113.02311	6.5
119.03376	1.7
121.02850	5.1
122.03624	5.1
123.04395	1.2
125.02289	0.7
132.02045	1.8
133.02850	7.1
134.03604	2.1
135.04427	1.4
136.01555	1.2
136.61732	0.6
137.02339	1.3
147.04390	1.1
149.02344	37.0
149.05962	1.6
150.03123	45.8
151.03720	1.4
152.01114	0.7
161.04491	0.9
162.03105	1.0
163.03902	0.7
164.04709	7.1
165.05470	32.2
166.06238	5.7
167.07039	1.3
176.15604	0.7
177.01797	0.7
179.05417	0.9
180.04169	2.5
181.08629	5.7
191.05562	2.0
195.06548	11.9
272.04568	0.6
283.09860	1.3
314.11563	7.8
315.12292	2.2
329.13943	12.9
330.14157	0.9
343.13943	12.2
347.11310	1.0
357.15625	0.6
377.12302	1.5
423.10718	0.9
476.16867	0.8
491.19193	100.0
492.19403	8.8
539.21167	15.1
540.21692	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	539.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.9
57.03304	1.1
59.01247	33.4
61.98692	0.9
71.01250	6.5
73.02802	2.4
78.95794	0.8
83.01257	1.0
85.02809	4.1
87.00727	0.8
93.03307	1.0
95.01228	0.7
96.95865	0.9
98.91074	0.7
99.00762	0.8
101.02312	7.0
111.66886	0.6
113.02316	3.0
132.30560	0.8
158.19179	0.8
161.04466	4.0
161.05780	0.8
171.10106	0.9
173.04485	1.5
187.11241	1.0
191.05492	4.4
201.05515	0.9
203.07109	1.6
207.10173	1.0
209.11520	0.8
213.16577	0.7
213.18964	0.7
216.07826	1.0
217.00356	1.1
217.02896	0.8
217.56450	0.9
262.85846	0.8
273.11188	0.8
299.20435	1.0
317.21173	100.0
318.21506	8.0
327.21942	1.0
346.65430	0.8
406.12766	2.4
407.17645	1.4
448.81314	0.9
479.26437	22.6
480.26971	3.2
522.56226	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	539.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90914	0.4
55.01746	1.1
58.00454	0.7
59.01248	28.9
61.98696	0.5
65.18176	0.4
69.24800	3.0
69.25230	2.0
71.01250	7.3
73.02825	2.0
73.48615	0.4
73.84583	0.4
77.27040	0.4
83.01252	2.6
85.02827	3.5
88.89399	0.5
89.02320	2.2
93.03339	0.6
95.01241	0.6
99.00741	0.6
100.13001	0.5
101.02314	10.1
113.02309	2.2
119.03407	0.8
161.04430	1.4
170.11745	0.4
191.05502	1.2
209.11890	0.5
217.00247	2.0
291.06375	0.5
299.20154	1.8
315.19559	1.0
317.21173	100.0
318.21536	5.8
374.99164	0.8
419.24268	0.5
479.26443	69.2
480.26779	6.4
523.25293	0.7
539.28918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14224	0.8
56.99209	1.0
59.01261	1.3
65.85024	0.9
69.88983	4.8
78.95775	17.4
85.21302	0.8
93.03336	1.1
98.19773	1.3
114.66519	0.8
147.92563	0.9
152.99500	4.4
168.04195	2.8
191.05501	1.4
219.61870	1.0
224.06892	8.9
242.07999	1.2
255.23250	100.0
256.23590	6.3
311.22235	3.3
312.22571	3.3
348.40897	1.0
350.72272	0.9
375.88464	1.0
423.79553	1.0
473.59531	0.9
480.30920	58.5
481.31601	5.4
482.25851	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	541.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84591	0.2
58.00459	0.4
59.01247	13.1
61.39318	0.2
68.99700	0.6
69.03328	1.4
70.37022	1.0
71.01250	6.5
72.99163	0.6
83.01253	0.4
85.02831	1.2
87.00753	0.6
87.54017	0.3
89.02312	5.6
92.04979	0.3
94.02857	18.6
95.01250	0.3
95.04922	0.3
97.06472	0.3
98.20433	0.4
101.02321	2.9
107.04878	0.3
113.02303	2.1
116.04946	1.2
119.03384	1.9
119.04893	0.2
121.06495	1.0
122.02361	100.0
123.02695	2.3
136.03871	0.3
142.06541	0.9
143.03342	0.3
156.08051	0.4
161.04428	0.5
163.95218	0.3
166.06546	0.6
167.06038	2.3
168.08109	0.6
169.07603	7.4
170.06079	0.3
179.05542	0.8
181.07614	0.5
183.09219	1.1
191.05507	0.5
192.06567	0.4
192.08180	0.4
194.09708	0.4
195.09239	0.6
209.07161	1.0
219.06927	0.4
219.09183	0.6
221.07111	0.4
221.10742	0.3
222.07855	0.9
222.09550	0.4
223.06271	0.3
223.08253	0.3
235.08784	2.0
237.06691	0.5
237.10292	3.4
246.12932	0.5
248.10770	1.0
263.08240	0.8
265.09802	38.8
266.10220	3.0
273.10352	0.3
274.12372	0.5
281.09393	1.0
289.13419	0.9
299.11942	3.1
307.14609	0.3
309.08792	30.6
310.09174	2.3
317.12900	6.0
321.22977	0.3
333.12146	0.4
335.13959	1.3
351.13501	4.3
361.11896	22.1
362.12280	1.7
379.12949	3.3
421.13739	0.4
481.27045	0.5
513.18616	0.4
523.25317	0.5
541.18256	17.9
542.18671	1.8
559.10498	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	541.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	28.7
64.57588	2.4
67.77783	2.2
67.88420	2.5
71.01252	21.0
72.99181	2.7
73.02816	61.7
80.96391	10.6
85.02844	6.9
89.02320	30.9
91.47548	2.3
96.95901	4.1
97.06460	9.5
101.02320	24.3
113.02363	7.2
117.11671	2.3
119.03416	10.5
125.02328	13.7
125.05964	16.5
143.07040	83.6
144.07314	3.0
149.02423	3.3
150.03140	4.0
155.10684	75.8
161.04460	4.4
165.05469	5.8
175.92418	2.5
179.05516	25.2
191.05641	5.6
195.06619	3.2
198.95866	2.9
199.09695	8.0
217.10764	100.0
218.11102	4.3
221.06583	3.6
259.11838	49.0
331.11902	3.9
541.14221	4.4
541.22009	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	541.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.7
59.01245	13.6
61.98684	2.2
67.01743	2.0
69.03318	7.3
71.01248	6.9
71.04886	4.8
71.58952	2.5
72.17033	1.2
73.02792	1.9
83.04863	1.8
85.02805	3.8
87.00735	3.9
89.02345	2.8
91.12360	1.4
93.03338	2.6
95.04910	1.1
97.02818	3.0
97.06425	4.5
99.00737	14.4
101.02304	3.2
109.06449	2.7
113.02332	2.2
123.08029	2.7
125.09623	8.1
128.03413	2.7
135.08051	1.8
151.11147	1.9
159.14400	1.5
161.09598	3.6
163.11179	7.5
166.71844	1.2
171.07562	2.7
171.10149	2.8
173.04494	2.4
179.10683	8.7
181.12222	12.3
187.07457	1.6
191.05502	10.3
197.11751	47.3
198.12085	1.2
199.13284	6.8
207.10199	20.3
209.11668	3.0
225.11258	32.4
226.11618	3.1
241.10765	8.8
243.12337	14.6
287.16550	1.8
297.13443	2.5
299.14923	1.5
315.14447	9.2
317.16040	7.6
360.39923	1.4
469.24112	1.5
481.27689	2.5
488.41061	1.4
497.27908	2.2
523.25464	5.4
541.26392	100.0
541.33026	4.1
542.26776	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	541.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23098	0.4
53.41070	0.5
57.02121	0.4
59.01239	1.2
63.96110	0.7
64.71679	0.5
69.65802	3.7
70.02833	0.5
71.01245	6.9
73.02798	1.8
78.95749	0.9
78.98467	5.5
79.95604	8.6
80.96386	56.3
81.03263	0.9
83.01197	0.5
85.02823	2.1
87.00742	3.0
91.22043	0.5
94.97368	1.1
94.97954	16.0
94.98563	0.8
96.95878	1.4
97.02843	1.7
101.02303	2.4
102.02773	0.5
106.97963	3.1
122.97455	2.3
125.02347	3.3
127.03919	0.9
134.97469	4.8
136.99023	1.4
148.99031	5.9
152.98502	5.2
152.99529	0.7
160.84126	2.8
164.98544	10.1
188.98468	0.5
206.99615	2.7
225.00688	14.5
228.61040	0.6
241.21710	2.5
245.04303	1.0
257.97311	0.6
299.04205	2.6
300.81927	0.6
481.25995	0.7
541.26837	100.0
542.27191	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	543.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	0.8
59.01253	10.9
63.99228	0.4
65.03825	2.1
67.01765	6.7
68.99683	5.8
69.03326	5.7
71.01254	6.6
75.02278	0.7
80.96384	1.0
81.03325	0.8
83.01266	0.6
83.04899	2.3
83.95110	0.4
85.02818	1.2
87.00729	0.4
88.74714	0.4
89.02312	4.3
93.03334	83.0
94.03676	2.5
95.01258	23.0
95.04916	0.4
97.02850	2.2
99.00774	0.4
101.02324	13.4
108.02017	0.7
109.02822	1.0
111.00755	1.2
111.04393	5.6
113.02325	2.0
119.03383	2.2
121.02840	3.0
123.00809	0.9
123.04403	16.8
124.04716	0.5
127.03900	16.2
127.90236	0.4
128.04263	0.6
135.04381	0.8
137.02341	49.1
138.02654	1.7
139.03967	0.5
149.02364	3.9
149.06027	0.7
149.53304	0.4
151.03880	1.5
155.03403	100.0
156.03741	3.1
163.03871	0.7
175.03891	0.8
177.05612	0.6
193.04997	0.8
226.63358	0.4
229.97435	0.5
235.06110	0.8
267.08749	2.2
279.05630	0.7
279.08725	4.7
311.07712	29.8
312.08047	1.8
337.12772	0.5
349.09158	3.4
363.10791	1.2
369.83154	0.4
381.11874	1.5
487.74570	0.5
525.16754	0.6
543.17181	63.4
544.17609	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	543.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.5
65.32407	2.6
68.99679	5.2
69.03318	5.9
69.53618	4.7
69.54022	11.4
71.01234	8.4
89.02340	3.3
89.14647	2.1
89.50108	2.1
93.03330	63.4
94.03632	2.5
95.01260	13.7
97.02804	3.6
98.19817	4.5
101.02299	7.7
111.04379	5.4
123.04409	17.3
124.14852	2.4
135.04410	17.9
137.02328	36.1
139.36230	2.4
147.04393	3.2
149.02359	5.1
149.05960	3.2
155.03403	61.9
161.06119	3.2
163.03905	10.6
171.04276	2.3
175.03946	2.4
177.05510	10.9
181.38704	2.1
188.35278	2.2
189.05444	5.3
191.03423	10.0
197.45027	2.2
217.05049	6.5
235.06055	18.2
247.03249	2.2
279.05057	26.0
279.08377	5.5
311.07739	18.0
349.09201	6.3
406.27478	2.6
543.17194	100.0
544.17493	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	543.1848
Annotation	PHYSALIN D
Peak:m/z	Relative Intensity
56.55949	0.5
59.01241	1.6
61.98697	0.9
62.77887	0.5
69.03291	0.5
69.24805	0.5
71.01244	1.1
71.58775	0.8
72.44771	0.5
78.95770	31.3
78.98437	0.7
79.95580	1.1
80.02548	1.8
80.96387	5.6
81.03331	1.6
83.04892	6.8
84.02036	1.4
89.02295	0.6
93.03329	1.2
94.97952	1.2
95.04901	0.9
96.95893	1.5
96.96841	6.5
101.02279	0.8
122.97459	0.7
125.02287	1.0
125.05937	0.6
135.08049	1.4
135.43195	0.5
147.11714	0.5
148.99039	1.1
152.99484	30.9
155.03333	0.6
162.05551	1.2
163.11186	5.8
164.98584	1.6
165.12764	3.6
171.00549	1.1
180.84438	0.5
181.12274	0.7
191.05492	2.2
191.10664	1.3
209.11754	69.6
210.12077	3.0
218.45572	0.5
223.00095	3.0
225.00691	2.2
225.11345	0.6
226.64232	0.5
227.12842	10.7
228.13109	0.8
241.01144	15.4
242.01433	0.6
259.02283	1.6
315.04877	4.2
333.05896	1.3
525.16321	1.3
543.18341	100.0
544.18732	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	545.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
55.60783	1.4
57.03322	73.5
59.01250	93.5
61.97208	1.2
67.01764	1.3
69.03304	3.6
71.01251	37.8
71.58662	1.6
71.59038	1.8
72.99165	2.7
73.02809	12.4
79.95623	1.2
80.38929	1.3
80.96384	5.2
81.03322	2.5
83.01254	6.0
85.02355	1.3
85.02827	18.8
87.00754	3.0
89.02315	10.4
93.03326	18.4
94.03657	4.2
95.01261	7.5
96.01585	1.7
96.95855	2.5
97.02802	2.8
98.05836	1.5
99.00761	7.1
99.04392	67.6
100.04732	1.4
101.02319	45.0
113.02334	20.6
122.51382	1.2
123.04364	3.0
125.02328	39.0
127.03867	2.8
133.04950	6.0
137.02335	7.7
138.02663	3.8
143.03407	5.6
145.38582	1.4
149.04472	1.9
155.03406	15.7
156.03703	5.0
157.03845	2.6
157.08565	3.0
159.02890	3.6
161.04459	21.0
161.55603	1.4
183.53015	1.3
191.05583	7.4
198.81679	1.4
201.31354	1.4
216.45482	1.3
225.00677	3.6
264.86661	1.2
269.10287	47.9
270.10583	2.9
311.07645	2.6
313.08194	4.0
383.13486	17.5
401.14511	100.0
402.14789	8.2
443.15561	14.5
527.17975	3.3
545.18329	32.4
546.18457	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	545.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.0
63.96089	0.8
69.03331	0.6
69.44645	0.5
69.56457	3.5
71.01246	4.9
73.02804	1.6
77.48818	0.4
78.98461	3.7
79.95603	7.3
80.96385	49.1
81.03323	0.5
85.02810	2.7
86.00899	0.4
87.00741	2.1
89.02304	0.6
94.97953	12.9
96.95869	1.5
97.02808	1.2
99.00718	0.5
101.02337	3.5
106.97969	2.1
113.02346	0.5
122.97457	3.7
125.02303	3.1
134.97484	4.1
136.99011	1.4
148.99051	5.8
152.98537	6.0
164.98532	9.5
164.99826	0.9
167.00168	0.5
174.01736	0.5
175.04240	0.4
182.99603	1.5
191.05592	1.2
201.11247	2.6
204.04193	1.0
206.99664	2.6
209.11758	1.4
219.06572	0.6
225.00676	19.4
243.01782	1.3
249.07626	0.8
299.04453	2.7
317.05325	0.5
453.74622	0.5
501.16437	12.9
502.16711	1.7
527.17743	2.5
545.19055	100.0
546.19385	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	545.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23714	0.3
57.03330	0.8
59.01246	3.7
59.46602	0.3
60.99168	1.3
67.01756	5.1
69.03310	1.2
71.01250	3.0
71.45645	0.8
73.02813	0.5
79.17285	0.4
81.03314	1.4
83.04887	0.7
85.02814	9.3
87.00748	10.2
90.42226	0.4
91.27939	0.4
93.03326	33.0
94.03678	0.7
99.00724	0.5
99.04384	1.3
101.02354	0.8
109.02819	1.2
111.04412	4.7
113.02335	0.5
116.62544	0.3
127.03884	2.1
129.01753	0.8
136.01503	0.8
137.02316	1.7
153.01776	0.6
154.02583	1.0
155.03424	1.8
157.06389	0.4
158.03612	0.5
158.07288	1.6
159.04385	1.0
159.10559	0.4
171.02901	1.4
171.04356	0.6
172.05202	1.2
173.04463	23.7
173.05919	1.6
174.04747	0.7
174.06766	0.6
183.04405	1.2
185.05904	0.5
186.06786	3.4
187.07510	3.3
189.03964	0.5
189.09138	0.5
191.05524	100.0
192.05885	3.8
197.11714	0.5
199.03885	1.1
199.07533	0.5
200.04675	2.2
201.05486	1.4
201.09116	1.1
211.07579	0.7
212.08350	1.1
213.08992	0.6
214.06253	2.9
215.07071	16.3
216.07457	1.0
227.03336	1.9
228.07851	0.8
229.08577	3.3
230.09431	1.3
233.06566	4.0
253.09201	0.4
255.06615	1.3
256.07358	10.4
257.07779	0.9
274.08484	1.3
309.20679	1.6
310.20996	0.4
311.12875	0.5
331.40155	0.4
353.13953	1.4
371.14886	1.4
405.12036	0.5
448.09897	0.4
496.64764	0.4
545.20251	7.7
546.20746	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	545.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30288	1.5
59.01243	16.8
61.98692	2.1
71.01257	27.4
71.58556	1.8
72.99179	5.3
73.02816	3.3
75.00729	3.7
78.95792	1.7
79.95586	3.1
80.96384	8.9
83.01258	3.2
85.02824	7.9
87.00746	32.4
89.02313	12.6
93.03343	6.3
95.01230	1.6
96.95880	12.7
98.02362	4.0
99.00755	5.4
101.02331	8.7
103.20193	1.5
105.01828	3.0
105.24664	1.4
111.00745	4.9
113.02309	6.5
115.00254	57.4
119.03380	2.2
127.03914	2.4
129.01872	2.4
131.03452	1.9
137.02274	2.1
139.00267	5.0
143.03461	2.2
151.03868	1.7
157.01323	9.4
164.98555	2.0
173.04489	2.2
175.02390	100.0
179.05516	2.8
187.09659	3.0
191.05548	15.5
191.98448	1.6
225.00723	4.1
231.05531	1.8
312.13202	1.7
330.11008	1.7
337.17502	1.5
352.07843	1.9
401.17999	1.6
427.19736	2.7
526.23419	1.9
527.17841	6.6
545.18170	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	545.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.4
57.03320	2.5
58.00461	1.2
59.01247	30.1
65.95036	0.6
67.01751	1.6
67.02097	0.6
69.03320	3.3
69.31255	7.1
71.01250	27.6
72.99178	2.0
73.02810	7.3
75.00752	0.8
81.03329	1.0
83.01275	4.3
83.04862	0.8
85.02822	15.8
87.00745	8.1
89.02314	14.6
89.02785	0.6
93.03329	10.8
95.01246	1.3
96.47463	0.7
97.02832	2.5
98.20490	1.4
99.00742	2.7
99.04394	1.5
101.02314	11.5
109.02747	0.7
111.00765	1.5
111.04396	3.1
113.02321	6.4
119.03438	0.9
119.07004	0.6
125.02344	0.7
127.03876	1.6
131.03394	8.3
137.02313	0.9
141.01843	0.8
149.04440	1.1
155.03391	0.7
173.04457	8.7
186.06755	1.1
187.07518	1.0
191.05534	67.5
192.05881	1.6
201.05389	1.0
211.07690	0.9
214.06288	1.9
215.06982	1.6
225.08987	1.0
227.03412	1.2
227.10776	0.9
233.06734	0.7
235.16982	8.6
251.16472	3.0
253.08646	2.7
255.13885	1.8
267.10336	0.9
268.10962	1.0
283.13547	1.6
295.09674	0.7
324.09949	2.2
327.15997	2.5
353.13928	14.4
354.14175	1.3
371.14874	4.4
413.21936	1.5
545.26080	100.0
546.26288	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	547.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74236	0.6
55.01758	4.2
58.00475	0.6
59.01251	8.2
67.01756	1.2
67.67759	0.7
69.03323	100.0
69.75251	1.8
69.75668	1.7
69.96779	0.5
70.03651	1.3
71.01250	9.7
72.99167	2.9
73.02818	0.9
79.01768	2.2
79.95616	0.6
80.96407	0.8
83.01252	0.8
85.02808	3.8
87.00748	1.6
89.02316	8.6
93.03336	1.3
95.01251	2.9
96.95872	5.6
97.02828	21.3
99.00749	27.2
101.02327	5.9
113.02337	2.3
115.00252	2.1
118.97961	0.6
119.03371	1.4
123.00759	1.3
123.04350	0.9
131.03409	2.5
141.01811	8.6
149.04446	6.8
173.04497	1.2
177.01968	0.6
185.00830	90.1
186.01189	2.5
191.05498	6.2
199.13271	1.4
224.85629	0.7
265.65860	0.6
278.91699	0.6
291.66516	0.6
343.17581	1.2
361.18646	12.9
361.22891	1.1
362.18787	0.8
460.41083	0.6
547.20239	15.1
547.27917	1.3
548.20551	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	547.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.3
57.03318	3.0
58.00470	4.8
59.01247	100.0
64.16602	0.6
67.01749	0.6
69.03324	0.6
71.01250	83.2
71.45699	0.9
71.46024	0.7
72.01582	0.9
72.99179	9.3
73.02818	6.5
83.01236	4.9
84.02034	1.1
85.02818	27.3
87.00755	6.8
89.02312	86.2
90.02692	1.0
93.03344	0.9
95.01257	8.8
96.95892	2.1
97.02788	1.4
99.00763	3.7
101.02316	41.8
102.02583	0.8
113.02325	48.4
114.02595	0.9
119.03381	31.6
119.74879	0.7
123.08064	0.7
125.02348	1.6
129.01828	1.2
130.86928	0.6
131.03355	3.5
135.04298	0.7
136.05200	0.8
138.06766	2.3
139.07535	1.3
143.03395	7.2
149.04463	2.9
151.07542	4.2
152.08302	4.7
153.09102	13.8
153.10275	1.2
159.02898	1.4
161.00708	0.7
161.04459	18.5
162.04791	1.1
163.11208	1.2
165.09105	0.9
166.13980	0.6
177.44270	0.7
179.05522	23.7
189.12819	1.0
191.05515	2.8
192.02644	0.7
204.36812	0.7
205.12265	12.9
206.12596	1.0
209.53760	0.6
221.06627	1.4
223.13301	4.0
231.33539	0.6
267.27942	0.7
277.14493	1.7
323.09799	6.0
385.18610	11.4
386.18985	1.4
417.59457	0.7
539.27594	0.7
547.23969	43.6
548.24329	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	547.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.2
57.03310	5.6
58.00456	5.4
59.01248	95.5
60.01600	1.7
66.93069	1.1
69.03339	4.0
69.58574	4.5
69.58978	2.8
71.01250	100.0
71.59611	1.3
72.99179	7.7
73.02824	13.8
75.00759	2.1
80.96380	8.1
81.03318	1.3
82.95975	8.3
83.01253	5.6
83.04877	1.1
85.02820	25.9
85.99944	1.2
87.00747	13.9
87.88603	1.1
89.02312	86.0
90.02657	1.4
93.03321	3.1
95.01269	7.4
96.95881	3.5
96.97511	1.2
97.02831	7.2
99.00778	5.9
101.02317	58.7
102.02657	1.4
111.04385	1.8
113.02325	34.8
114.02736	1.1
115.00217	1.2
119.03389	31.4
119.04240	1.8
123.08074	1.4
125.02349	7.2
131.03407	5.4
136.05161	2.1
137.09586	1.9
138.06720	5.8
139.07573	1.2
143.03410	9.7
147.08037	1.3
149.04460	2.8
149.06000	1.1
150.98671	1.3
151.07558	4.9
152.08345	10.0
153.09113	16.1
159.02946	3.1
160.61165	1.2
161.04466	24.7
163.11201	3.1
165.09108	27.6
173.04379	1.8
173.93732	1.5
179.05524	30.9
187.11246	2.4
189.09134	2.1
191.05553	5.1
192.02731	1.2
205.12262	34.3
206.12590	1.8
221.06659	10.0
223.13336	4.7
225.00671	2.9
227.00159	1.7
263.07761	1.4
323.09665	2.4
385.18649	30.1
386.18964	2.6
471.19232	1.2
503.16718	1.7
547.17743	7.9
547.23920	21.1
548.24860	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	547.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50952	0.6
51.21176	0.8
55.01751	1.2
57.03330	0.6
58.00454	2.4
59.01247	53.2
60.01591	0.6
69.03323	7.5
71.01250	47.4
71.58835	1.5
72.99162	4.3
73.02824	5.7
75.00768	1.3
77.05849	0.7
80.96400	1.4
83.01262	2.7
85.02814	7.9
87.00747	5.7
89.02312	84.0
90.02657	1.2
93.03311	1.8
95.01270	1.0
96.95892	3.4
97.02832	2.2
99.00763	2.8
101.02316	42.7
113.02330	9.3
115.00253	2.0
119.03381	7.5
123.04409	2.2
125.02322	1.4
131.03394	29.6
132.03699	0.8
137.02327	1.5
138.67506	0.9
143.03410	2.3
143.04422	0.8
149.04456	100.0
150.04811	2.3
161.04472	4.3
171.74266	0.7
173.04489	1.7
175.02390	1.1
179.05592	1.2
185.00832	8.8
191.05530	20.8
192.05873	1.5
251.07605	1.8
281.08725	1.3
293.08713	1.2
311.09756	3.3
324.99588	0.8
351.46552	0.7
361.18604	0.9
385.13144	1.0
401.10977	1.9
429.20956	0.8
547.20416	2.7
547.27466	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	547.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.7
57.03313	1.8
58.00471	2.9
58.07788	0.8
59.01248	72.2
60.01584	0.9
61.69497	0.9
69.03326	3.9
69.86258	2.2
69.86673	2.7
70.09956	0.8
71.01249	62.8
72.99185	5.2
73.02811	11.1
74.92776	0.8
75.00743	2.0
83.01247	2.6
85.02821	12.0
87.00755	7.9
89.02313	100.0
90.02701	0.9
93.03348	2.3
95.01264	1.8
96.95887	20.7
97.02818	1.5
99.00752	2.9
101.02318	55.6
109.02806	1.1
111.00724	1.1
111.04398	1.2
113.02319	18.2
115.00254	1.6
118.97967	1.1
119.03379	20.8
121.06487	0.9
121.13973	0.9
123.04442	2.2
124.86557	0.9
125.02293	2.2
129.01768	1.0
131.03387	22.8
134.03618	1.2
135.04367	1.0
137.02231	1.1
137.09566	1.4
143.03416	6.1
143.04346	1.1
149.04456	62.1
150.04791	2.3
153.09126	1.4
155.03394	1.2
156.75624	0.8
159.02884	0.8
161.04469	10.8
161.79344	0.9
173.04527	0.9
177.02235	0.9
179.05531	35.9
179.10605	2.4
180.05887	1.1
185.00790	1.7
191.05537	27.7
191.07281	1.4
192.05869	1.3
205.12283	3.2
221.06610	10.1
223.09732	2.9
251.07620	0.9
281.08789	1.1
311.09784	2.1
364.04111	0.9
486.90735	1.0
547.23541	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	547.268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	4.3
59.01248	100.0
59.14365	3.7
63.35012	4.0
67.01752	8.2
69.03309	6.2
70.12193	3.7
70.57658	4.2
71.01250	13.3
71.58574	4.3
73.02825	15.1
75.00751	4.2
81.03361	4.3
81.35549	3.4
83.04924	4.9
85.02818	12.3
87.00761	12.9
89.02332	6.4
93.03335	54.4
96.95895	18.1
97.06455	3.9
101.02318	7.3
107.19410	3.7
111.04387	7.3
113.02313	5.6
125.09628	3.8
125.63143	4.0
135.04395	10.5
153.98720	4.5
173.04469	32.0
174.04782	5.3
176.01067	6.9
187.07664	4.9
191.05525	70.5
192.05838	8.6
209.11778	4.8
211.13333	8.2
215.07071	4.4
216.28267	3.8
253.09244	8.1
311.22211	33.1
449.14569	13.3
487.34143	5.0
547.21564	6.5
547.31281	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	547.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46090	6.2
59.01249	53.3
67.01750	7.7
71.01237	11.4
74.04312	5.8
85.02822	16.7
87.00786	12.8
93.03334	50.4
99.12215	7.0
101.02277	10.5
108.98837	6.2
111.04391	8.5
173.04457	28.8
191.05551	64.1
192.05864	19.6
193.06059	12.6
196.66255	7.5
197.11794	6.7
209.11655	17.5
211.13272	14.2
215.07135	9.0
216.07368	10.7
253.09177	24.4
293.21219	13.9
311.22223	100.0
330.37125	6.7
449.14441	11.2
509.98563	7.5
547.20917	10.2
547.30688	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	547.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.4
57.03320	2.5
58.00447	0.7
59.01248	27.8
60.01578	0.9
60.99184	1.5
61.98703	1.1
64.64682	0.6
66.34010	0.6
67.01759	6.7
68.02088	1.8
68.31989	0.7
69.03326	2.7
71.01251	21.7
71.58444	0.9
71.58817	0.7
72.43955	0.6
72.99169	2.1
73.02818	4.1
78.95792	0.7
81.03326	2.4
83.01263	1.7
83.04881	1.5
85.02822	16.2
86.03157	1.9
87.00743	14.1
88.01097	2.0
89.02311	14.9
93.03334	43.1
94.03674	11.5
95.01266	1.1
95.03802	1.4
97.02838	1.1
99.00771	2.2
99.04362	0.8
101.02316	14.2
106.47057	0.7
109.02826	2.1
111.00771	1.7
111.04408	6.2
113.02314	5.9
115.03905	0.9
119.03381	2.2
123.04392	0.9
125.02335	1.3
127.03884	2.3
129.01825	1.6
131.03395	8.5
133.02802	0.8
135.04398	1.8
137.02342	2.4
138.02673	1.0
143.03400	0.9
149.04462	17.1
151.68074	0.6
154.02657	0.6
154.78175	0.7
155.03416	1.7
158.03506	0.8
158.07272	1.3
159.04378	1.6
160.04736	0.8
161.02298	0.9
161.04443	1.6
168.48761	0.6
171.02931	1.9
172.05145	1.7
173.04477	27.0
173.05910	1.9
174.03333	0.7
174.04805	9.5
174.06258	1.2
175.04980	5.2
177.01794	0.8
178.90297	0.7
179.03445	0.8
179.05568	0.7
185.06021	1.0
186.06738	2.3
187.07509	3.7
188.07915	1.2
189.09166	1.9
191.05542	100.0
192.05885	37.2
192.07690	1.3
193.06010	31.6
200.04568	1.1
201.05371	2.4
201.09099	1.0
202.05969	1.0
203.07161	1.3
212.08197	1.1
213.08783	1.0
214.06163	1.8
215.07071	12.0
216.07449	7.0
217.07620	5.7
228.03963	0.8
228.07735	0.9
229.08607	2.4
230.08963	2.8
231.10330	3.4
233.06647	2.4
234.06978	1.1
235.07164	1.3
255.06662	0.7
256.07309	6.5
257.07632	5.1
258.07910	5.0
275.09140	0.7
276.09317	1.1
309.20602	1.2
311.21634	0.7
355.14633	1.9
355.21121	1.4
373.15887	1.3
407.13046	1.3
450.15292	2.3
487.25452	18.5
488.25970	2.5
547.21411	18.6
547.29584	1.0
548.21869	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	547.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34518	0.5
55.01753	1.1
57.03303	1.3
58.00468	0.7
59.01249	22.2
61.98695	4.9
65.77597	0.5
67.01758	1.0
69.03311	2.4
71.01250	19.5
71.43185	0.8
71.43516	0.6
72.01559	0.5
72.99178	2.2
73.02815	5.5
75.00738	1.9
81.03317	0.5
83.01240	2.4
83.04852	0.6
85.02821	8.5
85.99970	1.0
87.00744	6.7
87.04385	0.5
89.02312	14.5
93.03336	5.8
94.03677	0.8
95.01265	1.7
96.95874	2.9
97.02822	2.4
97.06477	0.8
99.00745	2.0
101.02316	10.7
109.02830	0.6
111.00738	1.6
111.04405	1.4
113.02332	4.6
119.03383	2.0
121.80975	0.5
122.03605	0.7
123.04350	0.6
125.02312	1.5
127.03922	0.9
129.01831	1.1
129.04584	0.5
131.03395	8.4
131.27675	0.5
135.04393	1.5
137.02321	0.7
141.01822	0.7
149.04453	2.9
155.03392	1.3
159.02742	0.5
161.04434	0.9
173.04498	4.8
174.04805	0.9
175.05051	0.7
183.13791	1.7
187.07468	1.4
189.09059	0.6
191.05533	26.3
192.05876	6.1
193.06021	3.9
209.11682	0.6
215.06995	0.9
229.08725	0.6
231.10052	1.3
235.16992	1.8
237.18542	23.6
238.19041	1.2
253.18085	12.4
254.18196	0.6
296.41855	0.5
325.20090	1.2
353.13873	1.4
354.14163	1.6
355.14532	2.0
355.44153	0.5
360.07095	1.4
371.15125	0.5
373.16443	1.1
397.22281	0.6
415.23325	6.3
416.23657	0.6
450.11539	2.2
478.43286	0.6
547.27582	100.0
548.27942	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	547.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	23.9
61.98706	2.4
71.01252	2.7
71.58851	1.4
71.80878	0.9
73.02814	1.0
75.85830	0.9
85.13424	0.8
87.00712	1.0
89.02320	2.6
93.03311	0.9
101.02326	3.0
109.82480	1.1
113.02362	1.5
116.97205	0.9
119.03388	1.3
140.18730	0.9
140.76654	0.8
191.05528	2.7
205.07622	1.0
233.19109	1.5
235.08286	1.3
251.20125	100.0
252.20522	8.1
253.09215	13.1
470.00797	1.1
487.34503	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	547.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02829	0.4
59.01248	100.0
70.34011	0.5
70.34350	2.0
71.60011	0.6
93.03342	0.8
96.95889	0.6
113.33901	0.4
125.24890	0.4
135.04457	0.6
159.59348	0.4
173.04449	0.8
191.05594	1.9
210.93405	0.5
236.48303	0.6
474.66504	0.5
487.34363	0.8
570.05579	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	548.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33297	0.4
59.01247	13.3
60.23595	0.4
65.03823	0.9
67.01759	0.8
68.99684	3.9
69.03321	3.6
69.64439	2.0
69.64857	1.0
71.01251	10.0
72.99177	38.6
73.02810	0.7
78.04633	0.4
81.03321	1.1
83.01240	0.8
83.04865	0.5
85.02830	2.4
87.00728	2.7
89.02306	9.5
89.02830	0.8
91.10825	0.4
92.04916	1.2
93.03346	2.5
95.01275	0.6
95.04886	0.5
96.95894	1.8
97.02820	11.3
98.20459	0.8
99.00750	3.3
101.02310	5.2
107.04894	0.9
109.02850	0.7
113.02309	3.4
116.04919	0.5
118.06528	0.5
119.03375	4.7
119.04841	0.4
120.04422	0.8
120.99493	0.4
121.02854	0.7
121.06504	0.5
122.02368	0.7
123.04391	1.8
125.02332	0.4
128.04959	0.9
130.06491	1.6
131.03519	1.0
132.04396	0.9
134.03632	0.6
135.04384	0.6
143.03398	0.7
144.04449	6.6
146.06001	1.5
149.04463	0.4
149.05965	1.5
158.06020	16.6
159.06334	0.4
160.03943	2.5
161.02354	0.6
161.04417	1.5
166.06528	0.7
170.06046	0.6
172.03987	0.8
173.04482	1.4
174.05481	1.2
179.05539	3.5
179.06993	0.5
180.07944	0.5
182.06068	1.3
184.07570	1.5
186.05525	1.2
191.05531	7.0
192.05960	0.7
192.08153	0.6
193.06171	0.6
194.06062	0.9
195.05089	0.5
195.06743	0.4
196.07651	0.6
197.04639	2.1
198.05473	1.5
198.09164	3.8
202.05028	8.8
208.07590	5.0
210.05580	2.0
210.09175	3.8
222.05469	0.4
223.06215	0.4
224.07086	1.4
224.10699	0.6
225.04245	2.4
226.05060	4.9
226.08655	5.7
236.07101	7.1
236.09213	0.8
237.07532	0.6
239.05815	0.6
242.08145	3.1
254.08173	17.0
255.08606	1.2
270.07690	1.7
278.08243	0.8
291.73022	0.5
298.07162	4.2
316.08224	45.7
317.08539	3.4
358.09109	0.7
368.11322	1.5
386.12445	5.1
505.27182	0.4
548.17694	100.0
549.18048	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	549.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.9
70.04121	0.6
77.03835	1.7
78.95776	0.2
88.12154	0.2
93.03313	0.3
96.95826	0.2
98.19788	0.2
100.99847	0.2
101.01466	0.2
109.02827	0.3
121.02837	100.0
122.03165	3.5
127.44955	0.2
135.04381	0.2
137.02313	0.2
140.27277	0.2
147.04364	0.4
152.99449	0.5
155.12256	0.2
165.01837	52.2
166.02203	1.9
173.04585	0.2
177.08626	0.2
180.05714	0.4
181.06516	2.6
190.99789	0.2
191.05498	0.3
197.05998	2.5
199.07582	0.2
207.04437	1.1
207.08139	0.3
223.04068	0.3
225.05516	1.7
226.05896	0.2
247.81621	0.2
251.07051	0.3
257.09647	0.6
285.09100	0.3
313.07101	1.2
334.07437	0.5
357.06088	0.9
363.12195	0.4
364.13071	0.3
373.10980	0.3
383.07629	0.6
389.10004	0.2
417.09689	1.9
489.15616	0.2
492.06369	0.2
505.11411	2.0
549.10345	25.1
550.10657	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	549.1976
Annotation	Eucommin A
Peak:m/z	Relative Intensity
57.03316	1.4
58.00461	2.9
58.15968	0.9
59.01247	45.6
60.01539	1.2
60.12251	1.1
61.98692	1.7
69.03333	3.2
69.63330	3.5
69.63746	3.8
71.01250	31.9
71.65042	0.9
72.99174	3.4
73.02816	3.4
75.00742	2.4
83.01209	1.0
84.94974	1.4
85.00329	1.4
85.02798	6.9
86.02357	1.1
87.00743	5.6
89.02313	41.5
93.03355	3.9
95.01274	2.7
96.95897	3.4
98.19878	2.1
99.00773	2.2
101.02318	21.1
107.31422	0.9
108.12837	1.0
109.02836	1.5
113.02322	15.5
117.57515	1.1
117.97174	2.8
119.03394	15.3
121.02802	4.7
122.03619	1.9
123.00759	3.6
125.02327	1.1
131.03380	2.5
133.02866	1.5
134.03630	4.2
135.04417	4.7
136.01555	31.9
137.02370	6.1
138.03098	4.1
143.03377	4.7
149.02361	1.4
149.04446	5.2
150.03078	2.3
151.00269	14.0
151.03908	50.3
152.01073	2.0
152.04349	1.9
153.05493	4.8
160.05186	1.4
161.04449	3.7
161.05824	1.2
162.03206	1.3
163.03954	6.0
164.04604	1.1
165.05518	2.8
166.02620	42.9
167.03177	1.9
173.04446	2.5
175.03911	1.2
175.07468	1.4
177.01729	1.8
177.05467	1.6
179.03387	2.2
179.05510	7.8
179.06973	2.2
181.04979	46.8
182.05301	2.6
185.00935	1.0
187.03940	1.5
188.04744	2.3
189.88031	0.9
189.90033	1.0
190.02620	2.4
191.03629	2.0
191.05515	12.8
192.05933	1.2
193.04964	1.8
194.13910	1.2
203.07104	5.2
207.02995	6.7
208.03609	1.4
209.04521	2.2
209.11646	1.2
223.06018	1.7
236.88942	1.0
238.06232	1.4
294.05392	2.0
296.30750	1.0
298.03674	1.3
309.07571	1.2
321.07611	1.3
324.09744	1.6
329.10095	1.9
339.12192	2.7
343.11923	1.5
357.09708	9.8
369.09717	2.3
369.13406	9.2
372.12094	7.1
382.34784	1.0
387.14520	100.0
388.14825	7.9
549.16577	1.5
549.28802	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	549.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.4
58.00461	2.9
58.15968	0.9
59.01247	45.6
60.01539	1.2
60.12251	1.1
61.98692	1.7
69.03333	3.2
69.63330	3.5
69.63746	3.8
71.01250	31.9
71.65042	0.9
72.99174	3.4
73.02816	3.4
75.00742	2.4
83.01209	1.0
84.94974	1.4
85.00329	1.4
85.02798	6.9
86.02357	1.1
87.00743	5.6
89.02313	41.5
93.03355	3.9
95.01274	2.7
96.95897	3.4
98.19878	2.1
99.00773	2.2
101.02318	21.1
107.31422	0.9
108.12837	1.0
109.02836	1.5
113.02322	15.5
117.57515	1.1
117.97174	2.8
119.03394	15.3
121.02802	4.7
122.03619	1.9
123.00759	3.6
125.02327	1.1
131.03380	2.5
133.02866	1.5
134.03630	4.2
135.04417	4.7
136.01555	31.9
137.02370	6.1
138.03098	4.1
143.03377	4.7
149.02361	1.4
149.04446	5.2
150.03078	2.3
151.00269	14.0
151.03908	50.3
152.01073	2.0
152.04349	1.9
153.05493	4.8
160.05186	1.4
161.04449	3.7
161.05824	1.2
162.03206	1.3
163.03954	6.0
164.04604	1.1
165.05518	2.8
166.02620	42.9
167.03177	1.9
173.04446	2.5
175.03911	1.2
175.07468	1.4
177.01729	1.8
177.05467	1.6
179.03387	2.2
179.05510	7.8
179.06973	2.2
181.04979	46.8
182.05301	2.6
185.00935	1.0
187.03940	1.5
188.04744	2.3
189.88031	0.9
189.90033	1.0
190.02620	2.4
191.03629	2.0
191.05515	12.8
192.05933	1.2
193.04964	1.8
194.13910	1.2
203.07104	5.2
207.02995	6.7
208.03609	1.4
209.04521	2.2
209.11646	1.2
223.06018	1.7
236.88942	1.0
238.06232	1.4
294.05392	2.0
296.30750	1.0
298.03674	1.3
309.07571	1.2
321.07611	1.3
324.09744	1.6
329.10095	1.9
339.12192	2.7
343.11923	1.5
357.09708	9.8
369.09717	2.3
369.13406	9.2
372.12094	7.1
382.34784	1.0
387.14520	100.0
388.14825	7.9
549.16577	1.5
549.28802	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	549.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76876	1.0
55.01738	2.5
57.03315	3.4
58.00467	4.6
59.01248	100.0
60.01587	1.7
69.70462	4.1
69.70876	2.0
71.01250	83.0
71.25554	0.9
72.99181	7.4
73.02840	5.7
75.00776	1.4
83.01241	4.1
83.60009	1.1
85.02824	19.2
87.00743	5.4
89.02314	96.9
93.03283	1.1
95.01248	5.6
96.95898	1.8
97.02828	1.4
98.21764	0.9
99.00715	2.2
101.02315	58.3
113.02328	37.0
114.02679	1.1
119.03384	46.3
123.04301	0.9
125.02268	1.3
131.03357	5.5
137.09546	1.7
143.03395	8.2
144.58836	1.1
149.04427	4.2
150.25862	1.0
155.03329	1.3
158.94499	0.9
159.02843	1.6
161.03189	1.4
161.04457	17.3
164.08588	0.9
179.05527	19.7
191.05545	3.2
200.13263	0.9
205.03375	1.3
229.04225	1.5
241.74467	1.0
271.09720	1.0
332.88968	0.9
341.08408	1.0
369.19016	3.3
387.20291	10.0
433.81589	1.0
448.59363	1.0
549.25464	68.0
550.25970	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	549.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81004	16.2
59.01241	100.0
60.50203	12.5
96.95858	16.7
118.90473	12.2
120.56203	13.5
121.59853	13.9
135.42448	11.7
152.99454	17.7
173.76167	14.7
191.05482	43.1
269.22906	14.2
277.21667	54.3
291.07828	16.2
358.53458	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	549.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	4.9
55.37820	0.9
57.03314	5.1
58.00455	3.0
59.01249	78.9
69.03322	3.4
71.01250	100.0
71.59261	1.7
72.99177	6.6
73.02818	22.9
75.00733	2.8
75.93673	1.0
81.03324	3.0
83.01260	9.8
85.02818	33.2
85.99950	2.1
87.00742	9.8
87.04402	3.3
89.02314	65.1
93.03310	2.1
95.01255	5.0
96.04434	0.9
96.95889	3.4
97.02820	4.0
99.00752	8.5
101.02318	55.9
107.28901	0.9
111.00772	6.2
112.00994	1.0
113.02332	27.6
115.03895	1.6
119.03369	7.5
120.99533	1.1
125.02325	7.5
126.59568	1.1
129.01836	1.5
131.03383	24.8
133.02844	2.8
135.04376	2.4
137.02359	1.1
143.03383	4.5
149.04445	21.8
159.02893	3.8
161.02397	1.7
161.04465	24.9
162.04643	1.4
173.04436	1.8
177.01828	2.9
179.03377	1.4
179.05450	3.5
181.12259	2.5
191.05524	17.7
192.05984	1.1
193.05019	1.9
195.06517	2.0
225.11331	4.2
233.06627	3.1
255.19582	2.1
293.08829	4.9
307.20172	1.1
399.23776	3.1
417.24921	71.2
418.25299	7.6
429.17563	1.6
549.29108	95.6
550.29529	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	549.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73162	0.1
53.54880	0.1
53.69932	0.1
55.32813	0.1
59.01251	0.6
59.56435	0.1
61.98633	0.1
62.52586	0.1
63.95026	0.1
65.57467	0.1
68.33841	0.1
69.03336	0.2
71.01217	0.5
71.29685	0.2
72.99191	0.1
75.00751	0.2
78.95786	0.5
79.95599	2.4
83.02375	0.2
85.02810	0.2
87.00725	0.8
89.02320	0.3
95.01255	0.3
96.95885	100.0
97.95812	0.2
98.01810	0.1
98.02367	0.8
101.02304	0.5
113.02325	0.3
123.04449	0.1
137.02361	0.2
155.03397	0.9
161.02356	0.2
161.04529	0.1
173.04539	0.2
191.05508	0.7
223.06361	0.1
241.14435	0.7
251.34511	0.1
253.09279	0.2
311.65048	0.1
490.33914	0.6
549.18384	0.7
549.29138	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	549.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28801	0.6
51.74712	0.6
59.01248	11.4
61.44336	0.7
63.05190	0.7
69.03322	2.5
71.04890	2.4
71.38354	1.6
78.95763	1.0
83.04922	0.9
93.03307	0.7
96.56615	0.6
96.95877	1.0
97.06493	1.3
109.02833	0.8
109.48595	0.7
113.62324	0.7
123.08043	1.3
125.09614	2.5
149.09636	0.6
151.11137	2.0
152.42767	0.7
153.12752	2.2
161.09683	1.5
169.03038	0.6
176.53307	0.8
179.10721	6.8
191.05562	0.9
197.11755	60.7
198.12038	2.7
199.13339	1.4
217.00182	1.0
223.09641	1.3
241.10767	100.0
242.11131	4.8
245.19098	0.9
260.00186	0.8
289.18030	1.1
307.19131	3.4
325.20370	0.8
352.80655	0.7
407.17490	2.4
489.16519	0.8
489.35431	0.7
549.30408	7.3
550.30847	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	549.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	20.2
60.99199	0.8
69.84117	5.0
71.01258	2.4
73.02802	0.9
78.95790	1.8
79.95629	1.4
80.96382	2.7
85.02814	1.4
87.19308	0.7
88.05424	0.7
89.02312	1.6
93.03369	1.6
96.95892	2.6
98.19828	1.5
101.02340	2.6
107.12755	0.8
125.09603	0.8
152.99522	2.4
161.04408	1.1
191.05528	7.8
206.99620	0.9
213.11266	1.6
235.08165	2.3
253.09262	11.7
253.21701	100.0
254.22034	4.8
291.19724	1.3
309.20627	2.2
549.29688	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	549.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59452	0.3
59.01245	100.0
60.01598	0.9
61.98694	0.9
69.03323	0.3
71.01242	2.1
71.59143	0.5
72.99191	0.4
73.02821	0.6
75.00738	0.7
75.94608	0.3
77.24416	0.3
79.65809	0.3
83.01312	0.5
85.02837	1.5
87.00745	0.9
89.02345	1.1
93.03348	1.2
96.95882	0.5
97.06481	1.1
101.02341	1.2
103.00268	0.6
109.02837	0.5
113.02328	0.6
120.99594	0.4
130.67102	0.3
135.04474	0.7
159.02841	0.3
159.04485	0.9
173.04527	1.3
173.06027	0.8
175.03944	0.6
185.05940	0.4
187.07562	1.1
190.99875	0.4
191.05522	5.0
191.07118	0.5
192.00696	0.5
192.05887	0.5
195.05020	0.6
200.04570	0.6
201.05673	0.8
201.09109	0.4
203.07076	0.8
207.03069	0.4
215.07071	2.1
216.07681	0.4
217.08730	0.4
226.09866	0.4
229.08618	0.5
231.10181	0.3
241.12413	1.4
253.28674	0.3
372.74304	0.3
457.33344	0.7
461.20035	0.4
463.50732	0.4
467.15671	0.5
489.27499	1.0
489.36020	4.2
490.36191	0.5
549.20581	0.4
549.29749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01593	0.6
64.99393	0.1
69.45520	1.2
71.01257	0.2
79.02079	0.2
87.00745	0.2
93.03320	0.2
191.05600	0.7
215.07213	0.2
331.76071	0.2
549.19513	0.2
549.37988	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	549.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91863	0.1
58.12429	0.1
59.01247	100.0
60.01583	0.9
61.98700	0.9
67.01772	0.2
69.03329	0.2
70.67566	0.1
71.01239	0.9
71.58783	0.1
72.99188	0.2
73.02855	0.3
75.00751	0.4
78.95811	0.1
80.91557	0.2
83.01291	0.2
83.04901	0.1
85.02815	1.0
85.06483	0.1
87.00754	1.1
89.02327	0.4
93.01221	0.1
93.03333	1.2
96.95876	0.8
97.02872	0.2
97.06461	0.1
99.00763	0.2
101.02336	0.6
109.02852	0.1
111.00824	0.1
111.04446	0.2
113.02326	0.3
115.91948	0.7
116.92749	0.2
119.03390	0.2
120.99567	0.2
121.02841	0.1
125.02336	0.1
129.01855	0.2
130.62123	0.1
133.02837	0.1
135.04388	0.2
139.11208	0.3
159.02885	0.1
159.04474	0.3
161.04495	0.2
173.04485	1.3
173.05861	0.2
174.06758	0.1
177.03967	0.4
186.06732	0.3
187.07600	0.4
191.05527	6.0
192.05948	0.3
192.93112	0.1
195.05066	0.4
200.04622	0.1
201.05521	0.2
201.09245	0.3
201.11261	0.6
203.07077	0.2
214.06287	0.3
215.07133	0.7
216.95967	0.1
217.96759	0.2
219.06609	0.2
229.08730	0.5
230.09312	0.1
231.06619	0.2
231.10318	0.1
233.08188	0.3
239.08282	0.1
249.11241	0.1
253.09850	0.2
261.95834	0.3
274.08521	0.2
314.61630	0.1
390.00516	0.6
423.12955	0.2
430.17685	0.7
549.18945	1.0
549.30573	0.2
549.38049	0.4
550.17023	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	549.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28255	0.3
57.03315	0.6
59.01247	100.0
60.01591	1.1
61.98697	1.2
64.51695	0.3
65.30895	0.3
68.20834	0.3
69.03310	0.4
69.96398	1.0
69.96792	0.6
71.01247	2.4
72.99146	0.7
73.02815	0.7
75.00731	0.6
83.01311	0.3
85.02837	1.4
87.00773	0.9
89.02324	1.0
93.03342	1.8
96.95930	0.5
97.06477	1.1
99.00761	0.5
101.02322	1.6
103.00242	0.5
113.02356	0.7
118.89104	0.3
135.04449	0.7
158.03542	0.3
159.04472	0.9
161.04597	0.4
171.10165	0.3
172.05206	0.6
173.04456	1.0
173.05919	0.7
175.03915	0.6
177.01935	0.4
177.03995	0.8
185.06004	0.6
187.03931	0.4
187.07607	1.3
190.99805	0.6
191.05525	5.3
192.00633	0.6
192.06009	0.5
193.55290	0.3
195.05106	0.7
200.04845	0.6
201.05534	0.6
201.09169	0.4
202.06383	0.3
203.06967	0.4
203.89799	0.3
207.02960	0.4
214.06310	0.4
215.07057	1.9
229.08696	1.1
241.12317	1.6
256.07318	0.4
307.52185	0.3
356.14120	0.4
361.11417	0.3
457.33197	0.9
489.27441	1.2
489.36047	3.3
490.35776	0.5
549.18250	0.8
549.31287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01585	1.1
61.34612	0.4
61.98712	0.9
67.01786	0.3
71.01260	1.2
73.02843	0.8
74.85580	0.3
75.00784	0.4
85.02827	1.3
87.00767	0.8
89.02335	0.8
93.03362	1.6
97.06468	2.2
101.02337	1.1
115.00278	0.3
119.10066	0.3
120.99609	0.6
131.03366	0.4
135.02776	0.3
135.04443	0.7
159.03020	0.4
159.04443	0.6
173.04483	1.3
173.05899	0.4
174.03156	0.4
177.04099	0.5
179.32651	0.3
185.06068	0.4
186.92439	0.4
187.03966	0.4
187.07623	0.8
191.05566	4.9
191.07175	0.6
192.05847	0.8
193.06041	0.5
203.06961	0.6
209.67325	0.3
215.07053	1.0
217.08687	0.5
229.08609	0.6
235.99977	0.3
271.09827	0.4
289.09140	0.4
368.49811	0.4
423.32315	0.3
457.33282	0.5
461.19876	0.3
474.18259	0.4
489.27930	0.7
489.35733	5.6
490.36285	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	549.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.79259	0.9
61.98698	2.7
69.29983	5.2
69.30408	3.5
71.01242	1.8
78.95782	1.2
80.96423	0.9
87.00777	1.0
93.03335	2.8
96.95913	1.3
101.02291	0.9
109.02823	1.7
115.99830	0.7
130.12424	0.8
135.04410	0.9
137.02397	1.0
153.92410	0.8
159.04419	1.1
166.58116	0.8
173.04433	2.0
174.37479	0.8
177.01817	1.1
187.07539	1.2
190.81087	1.0
191.05533	4.9
201.05280	0.9
215.07191	2.6
217.08575	1.0
227.07118	1.0
229.08784	1.4
363.12219	1.8
364.13000	1.4
461.19580	1.2
489.35803	4.8
515.44232	0.9
549.29999	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	551.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.6
60.99155	2.2
67.01754	5.4
68.99665	2.7
69.03313	2.6
69.63535	5.7
71.01245	6.4
73.02820	0.9
81.03307	1.4
83.04932	1.5
85.02810	3.0
87.00752	11.7
89.02332	4.1
93.03333	47.7
96.95885	1.9
97.02785	1.0
97.68176	0.8
99.00773	1.2
101.02309	9.2
107.04897	1.0
109.02834	1.6
109.43007	0.7
111.04399	7.3
113.02334	2.0
121.02812	1.3
122.03606	1.4
123.04382	1.7
127.03928	1.4
129.01814	2.1
133.02835	1.3
134.03632	14.1
135.04410	100.0
136.04683	2.5
137.02275	3.1
143.03398	1.1
144.99876	0.9
149.02322	2.4
149.05998	4.8
150.03136	5.9
151.03951	5.3
153.05470	1.8
155.03389	4.9
161.02351	4.7
163.02684	0.8
165.05464	7.8
173.04469	28.3
173.05977	1.3
178.02632	5.8
179.03413	26.5
180.03763	1.0
181.04982	4.4
189.36906	0.9
191.05533	54.5
192.05841	1.7
193.03328	1.2
193.04985	17.5
195.06477	3.3
208.41490	0.8
227.09244	1.7
235.06015	2.0
238.43599	0.9
297.09711	4.3
298.09851	0.9
323.07635	1.2
341.08588	5.5
353.04645	1.5
353.08768	28.6
354.09225	1.4
389.06323	6.4
389.12366	14.6
395.09650	1.8
515.14026	58.1
516.14233	6.6
519.15771	1.5
551.11517	48.1
551.18640	4.6
552.11896	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	551.1767
Annotation	Methylgrandifloroside
Peak:m/z	Relative Intensity
55.48351	1.5
56.73817	1.6
57.92484	1.8
59.00984	1.9
59.01251	18.5
59.35984	1.6
59.52387	1.7
60.29462	1.7
62.27898	1.6
65.87112	1.6
67.45573	1.7
68.99686	5.3
69.03326	6.3
71.01247	17.4
71.58515	2.2
72.99171	3.2
73.02810	2.8
74.98958	2.2
85.02812	7.5
87.00750	2.6
89.02319	14.5
93.03342	4.1
95.01256	4.1
96.95890	8.5
101.02329	23.5
102.02670	2.0
113.02324	13.1
119.03366	5.6
121.02811	4.3
122.03632	2.8
123.04379	7.2
125.02385	2.6
133.02864	3.6
134.03621	75.6
136.01566	4.0
137.02339	13.2
139.03882	4.1
147.04440	4.1
149.02324	6.6
149.05991	19.7
150.03142	26.5
151.03889	18.4
153.05443	2.9
155.03384	5.5
156.03712	1.7
157.04968	5.2
161.04517	2.1
162.03117	5.9
163.03938	3.8
165.05478	39.1
168.29086	1.6
175.03955	3.2
176.04547	1.8
177.05434	5.7
178.01163	3.6
178.02629	40.8
179.03154	1.9
179.05453	4.3
180.04189	2.8
181.04996	12.1
191.05530	18.1
191.07048	3.4
192.04173	3.3
193.04980	100.0
194.05338	3.4
195.06583	13.1
207.06584	2.7
235.05917	7.0
253.00226	2.0
295.10818	2.4
341.10474	2.9
389.12354	44.3
390.12927	3.2
423.35788	1.9
551.17511	27.4
552.17719	3.1
564.58832	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	551.1754
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.07969	0.7
55.43809	0.6
57.03324	0.7
59.01247	10.5
62.28357	0.8
68.99686	2.4
69.90419	3.8
71.01247	6.3
72.99182	0.8
73.02814	3.1
75.77589	0.7
85.02820	3.2
87.00751	2.1
89.02306	6.8
93.03337	3.0
95.01247	2.6
99.00784	0.7
101.02319	8.7
105.03374	0.8
107.46319	0.7
108.02006	1.2
108.04410	1.3
109.02845	0.9
111.00751	1.0
113.02308	5.7
119.03357	1.4
119.04910	1.5
120.04260	0.8
121.02837	8.5
122.03657	3.6
123.04411	8.1
132.02090	1.5
133.02843	5.1
134.03621	80.1
134.05864	4.0
135.04474	5.5
136.01538	2.2
137.02336	11.2
139.03879	4.9
141.33304	0.7
147.03178	0.9
147.04375	3.4
148.03920	1.4
148.05147	1.0
149.01212	1.1
149.02342	16.1
149.03479	0.5
149.05971	23.4
150.03122	35.5
150.06322	1.3
151.03906	24.7
152.04182	0.9
153.05521	1.0
155.03401	3.7
159.04378	0.8
160.01582	2.7
161.04448	1.6
163.03915	1.3
164.04701	2.9
165.01801	1.6
165.05470	34.3
166.05815	0.8
173.04515	1.1
175.03850	3.0
176.04701	2.9
177.01859	1.6
177.05423	1.1
178.02628	41.4
179.03033	2.2
179.05522	1.0
180.04138	1.8
181.04967	19.0
182.05244	0.9
191.05505	3.6
191.07098	4.2
192.04260	3.3
192.05769	0.9
193.04977	100.0
194.05302	4.0
195.06519	10.8
206.04512	2.2
207.06548	2.1
215.05443	1.0
217.05037	0.8
220.03629	0.9
235.06055	15.3
267.06625	2.2
282.08914	4.8
297.08115	0.9
297.11346	2.8
298.08365	0.9
341.10281	17.3
342.10715	1.4
351.07193	1.8
353.10638	0.9
355.11621	0.8
364.10181	2.3
371.11734	1.1
383.11282	2.8
389.12390	96.8
390.12729	7.7
431.13333	3.7
519.16058	2.4
533.17621	3.1
551.17883	29.7
552.18262	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	551.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31226	1.6
53.10283	1.1
53.37414	1.2
57.27917	1.2
59.01253	18.6
62.81588	1.2
63.87690	1.1
64.82620	1.1
69.66533	8.6
71.01251	13.7
72.01572	1.2
73.02813	1.5
76.42316	1.3
83.37196	1.2
85.02838	2.2
87.00723	2.2
89.02315	10.4
90.01820	1.3
93.03329	2.2
96.40094	1.2
96.95928	1.5
101.02319	10.0
102.01913	1.3
113.02310	4.8
119.03369	4.6
119.04895	6.2
120.57737	1.3
121.02828	4.0
123.04372	1.8
123.11283	1.3
133.02826	4.9
134.03622	63.2
135.04031	1.6
136.01532	5.4
137.02316	10.4
139.03885	2.0
145.02783	3.1
147.04395	4.0
149.05984	14.8
151.03914	1.9
152.01944	1.4
153.05435	2.7
162.02077	1.3
162.03139	14.4
163.03943	11.0
177.05505	11.4
178.02626	30.7
179.03140	1.5
185.71794	1.5
191.05507	5.8
192.04190	15.8
193.04987	100.0
194.05281	4.8
207.06473	4.3
214.29483	1.3
257.07993	2.5
309.11142	1.9
327.12500	2.1
351.28918	1.3
353.10281	12.4
503.35999	1.3
519.15985	1.6
540.68079	1.5
551.17560	67.6
551.30328	2.7
552.17834	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	551.1767
Annotation	Methylgrandifloroside
Peak:m/z	Relative Intensity
59.01251	6.8
70.12423	2.2
71.01247	4.7
72.99177	0.7
82.49480	0.5
85.02831	1.7
87.00726	0.9
89.02312	7.0
93.03342	1.9
95.01247	0.8
96.95888	0.7
101.02302	3.0
105.03337	0.6
105.38278	0.5
106.04101	0.8
109.02832	0.9
111.00761	0.7
113.02310	2.8
114.68033	0.6
117.03310	0.9
119.03398	1.8
119.04903	1.6
121.02834	5.1
122.03625	5.1
123.04420	5.7
133.02831	3.9
134.03625	73.9
135.04019	2.4
136.01547	2.1
137.02336	10.6
139.03922	3.7
147.04413	1.8
149.02344	8.4
149.04921	0.5
149.05977	17.8
150.03130	30.1
151.03915	12.2
155.03410	1.9
159.04420	0.5
160.01518	1.5
161.02367	0.5
161.04440	0.6
162.03117	3.3
163.03859	0.6
164.04662	1.2
165.05470	32.1
166.05888	1.4
168.56619	0.5
175.03891	1.8
176.04665	1.7
177.01794	0.8
177.05478	2.9
178.02615	37.4
179.02997	1.4
179.05553	0.8
180.04196	2.9
180.05602	0.7
181.04970	9.4
191.05515	2.0
191.07083	1.8
192.04196	2.4
193.04976	100.0
194.05344	3.5
195.06528	12.2
202.86629	0.5
207.06581	1.2
217.04915	0.9
235.06075	6.9
239.07173	0.8
282.08932	1.2
297.11288	1.2
331.65646	0.5
341.10287	2.0
353.10385	5.3
371.11203	0.7
389.12381	34.5
390.12735	2.9
431.13376	1.6
457.46460	0.6
551.17572	14.1
551.30377	0.7
552.17773	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	551.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85795	0.7
58.00454	0.6
59.01250	3.5
60.85939	0.6
64.82758	0.5
68.99680	1.5
71.01232	3.3
71.35110	0.6
71.35482	1.1
72.99158	0.5
74.54349	0.5
75.00723	0.6
84.64606	0.6
85.02829	1.2
87.00754	1.9
89.02303	2.6
93.03326	2.6
93.92546	0.7
95.01250	1.2
96.95868	1.8
101.02312	2.5
109.02829	0.9
113.02292	1.4
119.03386	0.9
120.04493	0.8
121.02829	3.1
122.03622	4.1
123.04384	2.4
124.01579	1.2
132.04434	1.8
133.02835	2.0
134.03624	47.9
135.04181	0.9
136.01581	0.6
137.02330	8.3
139.03903	4.0
149.02359	9.3
149.05980	14.8
150.03122	35.9
151.04004	3.7
151.80856	0.6
155.03407	2.4
156.07428	0.6
159.04443	1.0
164.04703	1.6
165.05479	35.2
166.05807	1.7
175.03949	1.4
178.02629	32.5
179.03041	1.0
180.04166	2.5
181.04964	2.6
189.05438	0.8
191.05537	1.7
191.07060	1.5
193.04980	100.0
194.05321	3.7
195.06561	22.7
196.06985	0.7
206.12442	0.8
235.06070	1.5
253.05019	1.3
256.03751	2.2
261.03809	0.7
269.08295	0.7
271.06088	1.8
277.09808	0.9
282.08963	1.7
285.11343	0.8
289.48703	0.8
294.19131	0.7
329.10333	1.5
341.10312	5.7
344.09036	0.7
345.13406	0.7
356.84576	0.8
359.11404	7.2
359.15384	1.2
374.13754	6.8
389.12219	12.4
389.16107	19.4
390.12363	1.0
390.16754	1.4
402.23505	0.6
466.77887	0.6
519.16095	2.5
524.29797	0.7
551.17670	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	551.1765
Annotation	Tenuiphenone A
Peak:m/z	Relative Intensity
55.01764	0.9
57.03332	0.7
58.00457	0.5
59.01249	12.7
61.98688	0.6
69.03325	36.7
69.39076	1.0
69.39468	3.6
71.01253	16.1
72.99181	1.4
73.02818	5.4
75.00752	0.5
78.95779	0.9
79.01746	4.1
81.03342	2.2
83.01273	1.4
85.02818	8.7
85.99983	0.7
87.00745	5.3
87.04402	1.4
89.02302	6.0
93.03350	2.5
95.01263	4.1
97.02823	21.0
98.19729	0.8
99.00761	1.9
99.04381	0.6
101.02320	9.9
103.03905	2.5
107.01264	19.0
108.02051	25.5
109.02867	4.6
113.02330	9.5
115.03887	1.8
119.03376	1.5
121.02847	2.4
123.00762	5.4
125.02335	46.6
126.02676	1.4
127.03941	0.5
131.03366	2.7
133.02919	0.5
134.03581	0.7
135.00774	37.5
135.04359	0.8
136.01118	0.9
137.02353	3.3
143.03397	6.1
143.04422	0.7
145.02869	1.8
145.05011	0.8
149.02362	1.2
151.00266	27.5
151.03951	0.6
152.01053	76.7
153.01691	3.0
159.02818	0.6
159.04410	0.5
161.02357	1.4
161.04449	6.1
163.03914	2.0
163.06027	1.2
173.04474	1.5
175.04016	0.6
175.07507	0.4
177.01859	2.1
179.03378	0.5
189.01872	0.7
189.05376	0.5
191.05510	6.0
197.06056	3.8
205.07072	6.8
205.08783	0.7
207.02911	0.9
215.07152	0.7
219.03008	0.6
242.05797	25.8
243.06583	100.0
244.06927	5.3
259.05264	0.8
267.06650	0.5
269.90863	0.4
279.04971	0.8
285.07697	1.5
297.07837	2.8
307.10269	1.0
315.07153	1.7
323.70761	0.4
327.08801	0.6
342.45123	0.5
387.10779	6.7
389.21829	0.4
405.11884	7.1
443.11926	21.6
444.12555	1.2
512.63757	0.5
551.17676	26.5
551.26965	1.7
551.34241	2.0
552.18079	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	551.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20654	0.4
59.01243	4.5
65.00201	0.9
65.03831	4.2
66.93246	0.3
67.01751	1.7
68.99675	0.8
69.01368	0.3
69.03325	0.3
70.99043	0.5
70.99390	0.8
71.01244	10.2
73.02825	1.6
75.00731	0.8
83.01228	0.9
85.02814	2.0
87.00760	1.1
89.02331	1.7
91.01763	43.1
92.02077	0.6
93.03310	0.9
95.01278	0.7
98.95468	0.3
99.00733	0.5
101.02311	4.2
104.57018	0.4
104.94341	0.3
107.04875	0.4
108.02050	0.8
109.02827	63.5
110.03176	1.9
113.02336	1.8
121.02838	1.1
131.04854	0.4
133.02876	0.4
135.00766	100.0
136.01138	2.5
137.02336	14.8
137.03421	0.7
143.04919	0.6
147.04427	1.0
148.01550	1.5
149.02330	1.1
149.04387	0.4
151.03873	0.6
153.01826	69.9
154.02214	2.2
159.04396	0.6
161.02322	0.7
161.04475	1.1
161.05931	1.1
163.03906	0.8
173.04387	0.4
175.03923	1.5
177.01848	1.5
177.05495	0.5
179.03418	0.6
187.03862	2.3
191.05461	2.9
205.04927	1.7
225.05486	0.6
231.02945	0.4
243.06566	1.3
297.06091	5.0
307.58057	0.4
315.07208	12.3
316.07532	0.8
369.08124	1.2
389.15900	0.4
443.11893	80.5
444.12274	5.7
551.18390	0.6
551.31049	3.1
559.44379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90205	0.3
55.01739	0.4
55.61272	0.3
57.03315	0.4
59.01246	5.5
65.00198	1.0
65.03828	4.1
67.01756	1.9
68.99677	1.2
69.03323	0.8
71.01253	12.2
71.38805	0.8
72.99181	0.7
73.02813	1.0
75.00742	0.9
85.02808	2.3
87.00754	1.3
87.09224	0.3
89.02298	1.8
91.01762	44.0
91.09505	0.3
92.02077	1.0
93.03334	0.9
95.01271	1.0
96.95886	0.8
99.00739	0.7
101.02319	4.9
107.04856	0.5
108.02053	0.9
109.02829	64.2
110.03174	1.2
113.02326	1.3
119.03365	0.7
119.04933	0.5
121.02845	1.4
125.02232	0.4
125.09551	0.4
127.03930	0.5
133.02864	0.6
135.00768	100.0
136.01096	2.4
137.02333	15.5
138.02664	0.4
143.03413	0.6
143.04887	0.4
147.04410	0.9
148.01578	1.4
149.02353	1.3
149.04276	0.4
151.03918	0.6
153.01830	71.7
154.02177	2.1
159.04422	0.8
161.02338	0.9
161.04445	0.5
161.05916	0.9
163.03906	1.1
173.04503	0.8
174.14905	0.3
175.03922	1.7
177.01846	1.0
179.03404	0.7
187.03912	2.6
187.07339	0.4
188.04262	0.3
191.05519	3.5
194.72569	0.3
197.05942	0.4
205.04994	1.9
225.05554	0.5
231.02933	0.4
235.06061	0.7
237.03697	0.4
243.06520	1.9
279.04797	0.5
297.06128	4.4
315.07172	10.5
316.07541	0.5
345.15613	0.5
369.08389	1.0
387.10883	0.6
389.16672	0.5
443.11896	77.7
444.12289	6.5
468.80722	0.3
487.27753	0.4
551.22217	0.4
551.30933	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	551.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.3
57.03318	2.0
58.00461	1.9
59.01252	30.3
61.98703	0.8
69.03321	1.0
69.03741	0.7
71.01250	24.7
71.07518	0.9
71.07874	2.0
72.99171	5.7
73.02814	6.0
75.00733	3.3
82.59920	0.7
83.01259	5.0
84.09863	0.7
84.31866	0.8
84.96809	0.8
84.97324	0.9
85.02813	9.2
85.99965	1.9
86.02331	1.2
87.00748	18.5
88.00278	5.1
89.02306	9.8
93.03321	3.1
94.87949	0.8
95.01251	2.0
99.00745	2.5
101.02326	15.8
109.02846	1.3
113.02345	7.0
117.39436	0.8
119.03386	3.6
119.04918	1.4
121.02786	1.5
125.02254	1.1
131.71384	0.8
134.03665	0.9
135.04384	4.7
137.02319	1.1
151.03888	2.7
152.00874	0.9
159.04384	1.3
160.01524	2.7
161.02402	1.1
163.03906	3.0
167.03461	0.8
173.04532	1.2
173.83366	0.8
179.03389	3.1
179.06985	0.8
180.04106	1.0
180.07771	1.0
181.08475	1.0
191.05518	8.3
203.07161	1.1
209.11786	2.2
211.07478	1.3
227.07205	1.1
233.94702	0.8
239.07028	1.0
251.06967	1.2
253.08929	1.3
257.08142	1.8
265.05103	0.9
267.06516	0.9
269.08243	1.2
270.05322	1.7
271.09702	2.3
279.06586	2.1
280.07495	1.0
281.04654	1.9
282.05353	0.9
282.08441	0.8
283.06165	1.9
283.09750	1.6
285.07837	0.9
285.11328	1.5
286.08228	1.2
291.06488	1.2
293.08188	1.2
296.06918	2.2
297.07687	3.1
298.08493	3.7
299.09186	4.0
300.09863	2.4
310.08282	1.2
311.09235	12.1
312.09995	2.7
313.10638	4.8
314.07806	1.4
315.08838	1.2
325.10748	2.6
326.07986	0.9
327.08664	1.2
327.12286	2.0
329.10217	3.0
330.10995	1.8
341.10269	8.2
342.10880	3.7
343.07840	2.1
343.11829	4.3
344.08817	1.7
344.12622	5.0
345.13290	4.0
356.12643	6.4
357.13260	4.5
359.11234	1.1
359.15100	7.7
370.10248	1.9
371.14935	8.6
373.12961	2.4
385.13785	2.5
389.16183	4.8
399.14444	1.1
459.65134	0.9
460.13455	1.6
475.15811	1.8
476.13025	1.8
488.13254	1.5
491.15698	8.7
492.15811	1.0
503.15530	18.4
504.15643	1.9
506.18057	8.2
518.17963	11.6
521.20233	100.0
522.20599	11.2
533.20264	97.8
534.20758	13.5
551.31213	14.7
552.31177	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	551.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.8
58.17266	1.1
59.01248	19.4
62.07895	1.1
67.01759	2.4
68.99684	9.1
69.03325	2.1
71.01252	16.8
71.57976	1.1
71.58411	1.3
72.99178	1.8
73.02833	1.5
75.00744	3.3
83.01273	1.7
85.02832	4.3
87.00748	2.7
89.02314	14.4
90.33384	1.1
93.03340	2.7
95.01263	4.4
96.95908	2.1
99.00761	1.3
101.02328	26.3
108.04460	1.5
111.56242	1.1
113.02332	7.4
119.03389	4.1
121.02867	5.3
121.95473	1.2
122.03656	3.3
123.04424	5.0
124.01539	7.7
125.02355	3.9
127.03903	4.5
131.03462	1.3
132.04465	3.7
133.02849	2.3
134.03630	51.0
135.04091	1.3
136.01552	2.1
137.02339	7.7
139.03922	9.4
143.03409	1.4
147.04422	1.9
149.02370	8.6
149.04747	1.8
149.05957	11.5
150.03125	31.6
151.03915	7.4
155.03391	7.9
159.04437	2.8
159.81111	1.4
161.04478	2.0
164.04729	1.8
165.05479	36.1
166.05807	1.5
173.05989	3.3
175.03946	1.9
176.03424	2.1
176.04807	1.3
178.02637	28.2
179.03104	1.3
179.05525	5.5
180.04170	2.6
181.04980	5.4
189.05498	3.8
191.05508	3.8
191.07079	4.2
192.04210	1.7
193.04985	80.8
194.05379	2.9
195.06551	15.2
199.03943	1.3
227.09276	5.5
235.05975	3.4
253.05049	4.8
255.06459	1.5
256.03751	12.7
269.08252	1.6
270.05325	1.5
271.06110	10.8
282.09009	1.7
283.06131	1.8
285.07642	2.6
293.62613	1.4
296.06863	1.9
300.09891	1.5
313.07370	1.5
314.07956	3.3
316.09387	3.3
326.08051	1.7
327.08774	1.4
329.10291	6.7
341.10388	5.6
343.11819	7.0
344.08914	5.6
355.86160	1.2
359.11343	39.4
360.11789	2.1
374.13702	42.1
375.13962	3.7
389.12457	11.9
389.16248	100.0
390.16412	11.5
519.16156	4.5
551.17010	14.0
552.17615	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	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49208	0.5
59.01245	5.2
60.17000	0.5
63.21332	0.8
71.01245	2.9
72.99184	1.5
73.02809	0.9
73.87182	0.5
75.00741	1.9
75.66696	0.5
83.38052	0.5
85.02821	1.0
86.34689	0.6
87.00740	4.1
88.00249	1.0
89.02324	1.7
89.41857	0.6
93.03315	1.4
97.02782	0.6
97.96277	0.6
101.02312	2.0
108.24049	0.5
109.02818	0.9
113.02339	1.2
121.02821	2.6
137.02338	1.2
145.02847	2.1
147.04398	1.6
153.05501	0.7
162.03111	0.7
163.03831	3.6
163.05992	0.7
165.05431	0.8
173.88646	0.6
174.03127	2.8
175.03915	14.4
176.04671	3.4
177.05457	1.8
179.03439	1.3
180.04193	9.8
188.04686	2.8
189.05489	6.2
190.06282	19.8
191.05489	4.3
191.07042	11.3
193.04965	9.1
194.05804	4.1
195.06494	2.6
199.03575	0.6
203.07072	2.3
205.08624	14.6
207.06546	5.2
207.78009	0.6
208.07326	11.3
216.06932	0.7
222.08900	1.3
223.09724	1.1
306.07599	0.6
344.12619	2.6
359.14975	100.0
360.15247	7.3
372.88132	0.8
376.91223	0.6
389.16287	3.2
551.22491	1.1
551.30682	4.8
560.59656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.4
59.01244	35.5
66.97478	1.2
70.05181	5.5
70.05529	1.2
71.01249	24.5
71.58405	1.3
71.89001	1.2
72.99178	2.7
73.02818	4.8
75.00737	2.1
83.01254	5.0
85.02805	9.3
87.00748	12.0
88.00250	1.9
89.02313	10.8
90.09172	1.1
93.03325	2.4
95.01212	1.6
96.95881	1.6
99.00742	2.1
101.02321	20.4
102.97492	1.3
106.10600	1.2
111.00713	1.4
113.02314	6.0
119.03388	3.3
119.04880	1.3
125.02350	1.5
131.03374	2.3
131.04976	1.3
135.04437	2.6
150.75827	1.4
160.01572	3.2
161.02315	1.4
165.04103	1.4
181.08595	1.5
191.05542	6.1
191.58435	1.3
209.11720	1.8
211.07384	1.5
270.05206	1.6
271.09833	1.3
279.06702	1.4
281.04556	1.7
283.06085	2.1
285.07678	2.3
285.11133	3.1
291.06729	1.4
296.06815	3.6
297.07660	2.5
298.08588	1.6
299.09149	3.0
300.09821	1.6
306.15201	1.2
310.08469	1.9
311.09241	10.9
312.09888	2.8
313.10870	9.8
314.07959	2.3
325.10855	3.8
326.07718	2.0
326.11407	1.7
327.12451	2.3
329.10300	2.9
341.10239	10.0
342.11063	3.4
343.08212	2.0
343.11862	3.0
344.12518	8.7
345.13333	5.0
356.12561	6.9
357.13351	4.9
359.14926	7.4
370.10440	1.9
371.14926	7.5
373.12720	3.1
385.12997	1.5
389.15961	2.0
460.14035	2.1
475.15829	2.0
476.12793	1.4
491.15546	12.1
491.72238	1.4
503.15646	22.1
506.17950	9.4
518.18024	14.0
521.20233	94.0
522.20654	10.6
533.20239	100.0
534.20636	14.6
551.30902	14.3
575.42297	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	551.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16112	0.9
55.01748	2.0
57.03308	2.5
58.00468	1.4
58.32035	1.0
59.01248	26.5
61.98709	1.4
67.01742	1.2
69.03313	2.9
69.52458	7.0
71.01250	26.2
71.04885	1.1
71.95378	0.8
72.97409	0.8
72.99194	4.6
73.02828	5.7
75.00745	2.0
78.46207	0.9
78.95772	1.5
83.01243	4.3
83.04884	1.0
85.02820	12.3
87.00739	5.9
89.02308	11.7
90.05669	0.9
93.03329	5.2
95.01242	2.5
96.95874	3.5
97.02826	2.3
99.00748	3.3
101.02316	14.3
108.02053	1.0
111.00729	1.6
111.04391	1.6
113.02335	7.8
119.03376	3.0
119.04934	1.2
122.45831	0.9
124.01559	1.1
125.02306	2.9
129.01802	0.9
131.03380	2.7
135.04405	1.3
137.02390	1.5
143.03404	2.2
149.04442	3.7
151.03864	0.9
152.99557	0.9
154.22444	0.9
155.10719	0.9
159.04361	1.1
161.04428	2.4
173.04459	6.8
173.05867	1.4
174.03246	1.0
179.05511	1.0
183.04407	7.9
191.05524	25.3
192.05835	1.4
193.04982	1.5
197.11801	1.4
209.11765	0.9
209.15337	1.4
217.08737	0.9
218.09427	1.0
227.16478	18.3
228.16742	1.7
267.29236	1.1
329.23312	2.6
371.15356	1.4
371.20712	3.6
389.21686	26.6
390.22052	2.9
443.60806	0.9
447.25613	1.0
465.26654	1.3
505.26266	1.9
507.27942	2.3
551.27026	100.0
551.33838	6.7
552.27472	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	551.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93578	1.5
55.01741	3.2
57.03321	5.7
58.00467	3.1
59.01249	68.0
61.98692	3.8
69.70139	1.8
70.45206	6.8
71.01254	50.9
72.99176	7.6
73.02819	17.0
75.00751	6.0
81.03342	2.2
83.01260	10.0
83.04910	2.6
83.97524	1.6
85.02828	23.4
85.99950	2.2
87.00755	9.1
87.04435	1.7
89.02311	24.1
93.03336	9.7
96.95868	5.2
97.02806	2.4
98.20409	1.9
99.00793	2.1
101.02323	49.2
103.03883	6.3
107.04900	2.7
108.02042	3.4
109.02850	1.9
111.04349	2.6
113.02334	16.3
115.03915	2.4
119.03370	7.8
120.99580	3.2
122.15975	2.0
124.31464	1.7
125.02356	6.0
129.01842	1.8
131.03398	5.4
134.03632	7.1
135.04448	3.9
136.98996	2.0
143.03386	4.9
145.04977	2.1
152.01065	3.9
161.04453	5.8
163.06024	30.1
166.28821	1.7
173.04530	9.3
173.05769	2.2
175.03886	2.8
179.05499	2.4
179.06966	1.8
187.07578	1.8
191.05548	46.2
193.04962	6.8
195.06516	2.9
205.07095	7.8
217.34766	2.2
227.16458	13.5
265.09473	2.3
329.17645	8.5
345.19159	5.8
368.26047	1.8
371.20862	5.9
389.21729	100.0
390.11371	3.3
390.22229	8.4
411.97995	2.0
413.21829	5.5
465.26715	5.0
491.24878	29.5
492.24997	2.6
507.28180	13.7
551.17700	3.6
551.29657	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	551.3073
Annotation	Capisterone B
Peak:m/z	Relative Intensity
55.01758	1.2
57.03315	2.5
59.01247	62.1
69.03321	1.9
69.58400	5.4
69.58807	1.7
71.01250	23.2
72.99168	5.0
73.02808	8.3
74.98956	2.2
75.00744	3.6
83.01242	4.5
85.02817	13.0
87.00744	7.2
89.02304	13.0
90.02604	1.1
92.03786	1.2
93.03334	4.5
95.01258	3.8
96.95869	1.3
97.02866	1.5
99.00771	3.5
101.02317	20.1
111.04385	1.3
113.02311	14.1
119.03382	4.2
119.04884	1.6
123.08020	1.0
125.02264	1.5
129.01862	1.6
131.03377	1.3
135.04404	6.0
136.99022	1.7
137.02357	2.0
143.03410	1.5
149.04485	1.5
151.03888	1.7
154.39725	1.0
155.03473	1.1
159.02904	2.0
161.02383	1.6
161.04501	4.9
163.03891	2.8
171.13875	1.4
173.04515	2.5
177.05522	1.1
179.03426	3.2
179.05569	1.3
191.05530	18.4
191.07117	1.5
192.05809	1.6
203.07047	1.4
257.08221	1.8
259.19199	3.1
260.50348	1.1
263.20065	1.8
267.06686	1.4
283.09735	1.7
311.09055	1.5
311.22229	1.4
319.40399	1.0
341.10278	2.3
343.12543	1.3
345.13644	1.4
371.14868	1.4
389.16354	1.3
402.27914	1.1
445.27933	1.0
455.26642	1.4
473.27353	4.8
475.16245	1.5
491.28760	2.8
503.15601	1.4
518.18524	1.7
521.20282	12.0
522.20599	2.3
528.90863	1.2
533.20325	12.2
533.28790	1.8
534.20258	1.4
551.30780	100.0
552.31342	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	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	15.9
67.01741	0.6
71.01244	2.7
71.07401	0.7
71.07726	1.0
71.30805	0.5
73.02789	1.0
73.30792	0.5
78.98469	0.6
79.95594	0.7
80.96381	2.7
85.02820	1.1
87.00751	1.3
89.02303	2.3
93.03332	3.5
101.02298	3.5
101.78352	0.6
113.02294	1.9
119.03341	0.7
120.75285	0.6
135.64566	0.5
151.06677	0.5
154.76347	0.5
157.19489	0.5
161.04456	1.0
164.98482	0.6
173.04478	1.5
179.05373	0.6
191.05508	2.2
204.33894	0.5
235.08189	3.2
253.09251	11.3
255.23253	100.0
256.23566	6.2
266.99014	0.6
291.69443	0.5
311.22168	0.6
344.41251	0.6
429.82877	0.7
463.71826	1.0
550.74689	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	551.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	6.2
70.16120	5.4
71.01239	1.3
97.06475	1.2
97.48074	1.0
98.20504	1.3
118.38652	1.2
125.09624	2.1
138.85086	1.0
151.11169	2.5
161.09602	4.9
162.16669	1.1
173.92046	1.1
179.10703	15.1
180.28470	1.1
197.11751	76.2
198.12093	3.1
223.09717	3.5
235.20689	3.6
241.10786	14.1
246.66328	1.2
253.21721	10.8
255.52391	1.1
297.13535	3.2
302.62915	1.6
315.14465	100.0
316.14731	7.4
330.85587	1.1
340.25375	1.4
519.70654	1.1
551.35938	10.7
561.29395	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	553.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00441	3.4
59.01249	84.8
69.48497	23.7
71.01253	38.1
72.99168	3.6
77.30325	2.3
83.01209	2.8
85.02797	9.1
87.00730	5.1
89.02321	45.4
95.01229	3.7
96.95869	4.5
101.02312	28.1
111.20582	2.5
113.02346	13.6
117.03381	6.7
119.03372	17.2
119.04946	3.4
121.02808	8.0
121.09772	3.0
123.00723	4.1
123.04396	3.9
134.03654	14.3
135.04430	13.2
136.05199	16.3
145.02859	42.8
146.03621	15.8
147.04251	2.4
149.02336	5.0
149.05992	15.6
151.03909	4.7
151.07472	5.3
160.05190	3.8
161.02327	11.1
161.05951	11.0
162.03134	71.4
162.04492	3.5
163.03920	13.0
165.05411	5.6
172.22769	2.6
177.05499	51.3
179.05536	3.7
180.04100	3.7
191.05498	4.3
194.05734	4.4
195.06569	58.7
199.42712	2.5
209.08101	4.1
239.07082	9.6
249.07874	2.4
254.09492	18.2
269.11771	4.8
343.11899	3.7
355.11929	25.8
360.15112	2.6
418.11124	2.6
522.09869	2.7
553.19196	100.0
554.19495	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	553.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23724	27.3
52.91562	25.9
57.21782	23.4
58.97417	25.9
60.30646	28.5
63.59377	21.3
80.34088	25.7
97.44797	26.6
98.19781	100.0
105.93735	29.4
119.21008	28.7
131.11819	26.8
138.37090	29.0
207.07457	26.1
549.63336	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	553.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47174	1.1
57.03339	1.4
62.79815	1.1
69.03329	11.8
70.65586	2.0
70.65960	2.9
71.01251	1.4
71.04889	1.8
72.63341	1.2
84.27969	1.3
109.13406	1.4
123.08019	2.9
125.09589	4.6
151.11194	5.7
153.12738	2.3
161.09624	13.2
179.10703	38.9
180.10999	1.6
197.11758	98.8
198.12138	2.8
223.09686	7.0
223.81351	1.3
241.10797	15.0
255.23248	100.0
256.23596	2.6
276.56839	1.3
297.13425	9.2
315.14450	17.0
553.37408	79.6
554.37604	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	555.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36886	0.7
59.01239	3.1
69.03327	1.1
71.01251	3.0
71.58748	1.1
72.99171	1.5
74.42157	0.8
75.00732	3.9
83.04910	1.0
87.00771	1.1
89.02316	2.1
91.00279	0.7
93.03330	2.4
93.09976	0.7
95.01324	0.8
96.95858	1.3
101.02318	2.4
102.63474	0.9
108.02059	1.8
109.02840	8.5
121.02875	4.3
122.03625	4.6
123.04430	4.2
124.01542	1.3
132.01985	1.8
133.02878	6.9
134.03627	1.5
135.04379	4.3
136.01564	1.6
147.04425	2.3
149.02341	17.2
149.05954	1.1
150.03130	54.3
151.03922	7.5
155.03354	1.2
159.04428	3.0
164.04645	3.6
165.05470	42.5
166.05823	1.2
173.04530	1.5
173.06010	2.5
180.04195	2.7
181.04977	5.4
189.05484	3.1
190.06308	1.1
191.05571	5.2
195.06544	24.3
196.06892	2.0
203.07021	1.7
209.11774	12.4
227.12834	2.5
240.04192	1.7
241.05028	5.2
241.18109	0.9
253.09074	1.5
255.06606	3.0
267.06583	2.1
269.08173	1.2
278.51862	0.9
281.08081	0.9
297.07623	3.6
298.08469	1.7
299.09241	4.0
313.10742	4.8
329.10281	2.8
344.12640	8.3
345.13275	3.0
358.14224	1.0
359.14987	27.2
360.15222	3.3
361.10410	1.2
401.15945	1.1
431.14648	0.9
443.14859	1.9
447.14355	2.0
461.15765	6.1
462.16098	1.0
468.09451	0.9
477.15552	2.9
492.17755	1.0
507.20193	100.0
508.20560	13.8
555.22260	8.7
555.30292	5.1
556.30396	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	555.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	14.3
59.64146	1.2
61.98693	5.5
63.72093	1.2
68.50261	1.2
69.03326	4.1
69.43988	5.7
69.44418	6.6
71.01259	11.0
72.99193	2.0
73.02809	4.3
75.00735	2.9
80.96382	5.7
81.03355	1.7
83.01211	1.6
83.04884	1.8
85.02806	7.2
87.00757	6.6
89.02322	5.5
93.03329	12.3
95.04878	2.0
96.95887	4.8
99.00762	3.0
100.97187	1.5
101.02331	7.8
105.03335	1.5
109.02824	3.6
111.00726	1.5
111.04355	1.6
113.02324	3.5
120.99554	1.4
121.02841	11.2
122.03616	9.9
123.04405	2.7
125.02326	1.4
127.03893	1.7
129.01788	1.5
133.02832	4.3
134.03627	1.5
135.02859	1.8
135.04379	2.6
136.01500	3.2
149.02338	66.0
149.05928	1.6
150.03125	69.6
151.03471	2.1
163.03900	3.4
164.04683	14.7
164.98477	1.5
165.04089	2.5
165.05469	72.6
166.06020	1.6
173.04500	6.3
173.05809	1.9
174.01588	2.1
178.02638	1.7
178.06339	1.4
179.03345	1.6
179.05565	1.7
179.07004	2.0
180.04158	4.9
191.05536	30.4
191.07016	1.1
192.05959	1.3
195.06541	45.5
196.06877	1.9
211.13428	1.3
253.08742	1.9
255.10231	1.3
267.06525	2.2
268.10449	1.2
269.08127	5.5
269.11621	2.8
270.08487	1.4
283.09973	1.7
296.10504	1.4
297.11298	11.2
298.12000	1.5
299.09302	3.2
300.09918	3.6
311.09174	5.1
311.12704	1.8
314.11615	6.6
315.12250	2.9
326.11505	2.8
329.13986	14.1
341.14020	8.8
431.14682	6.4
433.16626	3.9
434.16888	1.4
461.16467	1.8
462.16611	3.9
477.19189	17.0
478.18997	2.1
489.19171	2.0
492.17624	2.1
495.27487	3.7
507.20166	100.0
508.20593	11.9
555.20892	14.8
555.28497	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	555.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	6.8
59.01254	49.7
61.98697	15.9
69.03328	9.9
71.01251	43.9
71.59564	7.9
72.99197	10.6
73.02817	11.5
74.98982	6.5
75.00743	21.7
80.96398	7.7
83.01260	7.7
83.04901	10.3
85.02818	22.7
87.00748	15.3
89.02322	30.0
91.00283	5.1
93.03337	20.1
94.02905	6.2
96.95290	5.3
96.95902	18.8
97.02869	6.5
99.00763	11.2
101.02317	31.1
101.87305	6.6
109.02863	5.1
110.02329	5.1
113.02341	18.7
114.05470	29.3
119.03377	13.9
120.99577	7.3
121.02820	5.9
122.02398	12.8
123.04436	5.9
123.12207	4.9
133.02815	5.4
135.04381	13.7
147.02956	5.2
150.03119	8.4
156.04968	4.7
161.02403	6.1
161.04398	7.7
165.03975	9.4
170.02693	6.1
173.04453	15.5
179.03302	6.8
183.05569	63.8
184.05888	7.1
191.05542	87.2
200.03749	9.7
209.11774	100.0
227.12846	18.6
253.09251	18.9
277.05307	4.9
279.07721	51.3
288.82169	6.4
393.13013	5.0
480.77225	5.1
511.17172	52.5
555.16705	46.5
555.30225	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	555.2838
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01240	0.7
63.00632	0.4
63.96098	0.8
69.81416	2.2
71.01254	5.8
73.02817	1.2
78.98457	5.2
79.95602	7.7
80.96384	52.0
81.03313	0.6
82.29360	0.5
85.02818	2.7
85.03256	0.6
87.00735	2.2
87.35783	0.4
94.97952	11.6
96.95892	0.8
97.02834	1.6
98.20509	0.6
99.00738	0.9
101.02338	2.5
106.97968	3.2
122.71089	0.5
122.97421	2.2
125.02312	1.9
134.97446	4.0
136.70041	0.5
136.99016	0.8
148.99013	4.5
152.98517	5.1
164.98544	10.2
167.00040	0.5
206.99588	1.5
225.00690	14.6
247.62659	0.5
255.23189	1.9
299.04428	3.2
304.23068	0.5
332.98715	0.5
505.47644	0.5
535.74011	0.6
538.92175	0.6
555.28363	100.0
556.20752	0.9
556.28735	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	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.63437	0.4
59.01257	0.6
63.96102	1.3
68.51559	0.4
69.03313	0.9
70.16737	0.7
70.17140	1.4
71.01251	6.4
72.12936	0.4
73.02818	1.9
78.98457	5.3
79.95148	0.3
79.95605	10.4
80.96384	67.1
85.02803	2.7
87.00744	2.2
94.97957	14.0
95.01300	0.5
96.95897	1.2
97.02821	1.1
99.00750	0.5
101.02308	2.2
106.97980	2.8
122.97485	2.9
125.02338	2.9
126.02795	0.4
127.03909	0.5
134.97475	4.8
136.99028	1.3
143.45930	0.5
148.99023	5.5
152.98526	5.0
164.98534	11.1
166.35718	0.5
167.00159	0.4
206.99591	2.4
225.00664	15.1
255.23254	2.7
259.97678	0.4
299.04324	2.8
323.82825	0.4
465.48132	0.5
555.28369	100.0
556.28717	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	556.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40104	0.8
51.45155	0.8
52.52416	0.7
58.02843	4.3
59.01245	5.1
60.99198	0.8
66.82458	0.8
69.03331	1.1
69.15520	0.8
70.08292	0.7
70.29578	0.8
71.01254	4.2
72.99165	1.2
73.03938	17.3
74.02348	7.2
75.00746	1.1
80.04906	1.0
80.55481	0.8
80.96389	1.0
82.94412	0.7
83.01234	1.1
85.02820	1.4
85.03951	1.8
86.02356	1.0
87.00721	1.8
89.02332	2.6
93.03317	2.0
96.95885	1.8
97.03941	6.2
98.02367	2.5
98.05989	1.0
99.00750	1.1
99.05518	3.0
101.02307	3.1
104.03427	1.8
111.00788	0.9
111.05560	0.9
113.02325	1.8
113.70829	1.0
114.05492	8.8
115.05017	36.5
119.03414	1.2
125.07064	1.6
127.05025	1.9
127.08652	13.5
128.03401	1.0
129.10216	2.6
130.08630	2.5
135.04407	1.1
137.07101	0.9
139.08669	30.2
139.09747	1.6
140.07091	5.1
141.10237	2.5
150.03149	2.6
151.03741	1.2
152.07050	1.7
153.06563	1.5
153.10234	1.0
157.09737	3.7
161.04526	0.9
165.05443	2.7
166.05896	1.2
166.12303	1.1
167.04521	1.2
167.11787	2.0
168.11322	2.8
171.07663	46.0
172.07953	1.1
173.04431	2.7
179.11787	0.9
181.09657	1.2
183.11334	1.1
186.12383	1.7
191.05539	15.9
195.06419	1.0
197.16484	1.7
201.08722	8.7
202.03619	0.8
208.13402	1.6
209.12918	5.7
210.12379	7.5
211.10764	1.7
211.12596	1.2
224.17636	1.0
225.15974	3.9
228.13460	4.1
238.19258	2.2
243.17116	1.4
252.17209	1.1
253.08929	1.0
256.20383	1.3
263.15131	0.9
266.10025	0.9
268.54297	0.8
280.20377	3.8
284.16028	0.9
291.15933	0.9
342.20242	1.5
353.25620	1.8
452.28381	0.9
464.28735	3.5
469.26672	1.1
482.30087	1.1
496.27655	9.2
507.86636	0.8
508.21182	1.5
508.27954	3.3
512.37225	0.9
526.28833	14.6
527.29065	1.9
538.28815	3.4
556.29846	100.0
557.30542	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	556.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58854	0.8
51.99756	0.8
56.25742	0.8
58.02851	4.8
59.01258	4.8
62.62731	0.9
66.03347	1.4
69.03322	1.1
70.02834	0.9
71.01260	4.8
71.58539	1.3
71.58892	1.0
72.99168	1.6
73.03944	17.2
74.02338	6.3
75.00735	2.1
80.04931	1.3
80.96383	1.3
84.00858	0.8
85.02826	2.7
87.00777	1.3
89.02299	2.2
91.00237	1.3
93.03362	2.1
96.95899	0.9
97.03941	3.7
98.02348	2.9
99.05508	2.9
101.02308	3.8
104.03311	1.3
111.05465	0.9
112.07545	0.9
113.02323	1.3
113.07074	1.0
113.29947	0.9
114.05480	8.5
115.05016	32.2
125.07068	2.8
127.04994	1.4
127.08644	13.9
129.10219	2.1
130.08592	1.0
139.08670	25.7
139.09747	1.7
139.90865	0.8
140.07030	3.2
141.10197	1.9
145.06046	1.4
146.51302	1.0
149.02374	1.4
149.96352	0.8
150.03125	2.9
151.03859	0.9
152.07043	2.0
153.06680	0.9
155.08211	1.4
157.09659	2.9
165.05463	2.4
167.04547	1.7
167.11844	1.4
168.11292	1.8
171.07663	35.7
172.07941	1.1
181.05019	0.9
183.11293	1.1
186.12453	1.7
191.05574	11.2
195.06482	1.5
197.16478	1.8
201.08821	7.1
209.13062	4.3
210.12329	6.2
211.10767	1.2
221.04414	1.0
225.16022	3.2
228.13374	3.1
238.19138	2.5
252.17027	1.3
256.20187	1.5
263.14789	1.3
280.20273	3.8
344.12164	0.9
353.25549	1.6
451.22043	1.0
452.29114	1.1
464.28864	4.2
469.26620	2.4
496.27792	7.7
508.20496	1.9
508.27591	2.1
526.28699	15.7
527.28845	1.7
538.28870	3.8
556.29840	100.0
557.24646	1.7
557.30817	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	557.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21106	0.4
55.89488	0.4
59.01248	100.0
60.01591	0.8
61.98710	0.7
66.47198	0.4
69.03328	1.6
69.27966	2.6
69.28389	1.4
71.00906	0.4
71.01239	2.4
71.04896	1.0
75.36395	0.4
77.27097	0.4
80.02532	0.4
81.03323	0.7
83.01268	0.8
83.04900	2.7
84.02063	0.5
85.02843	0.8
87.00732	0.9
89.02281	0.5
93.03327	0.5
93.92904	0.4
95.04910	0.5
96.95873	0.7
97.06495	0.9
98.19772	0.8
113.02291	0.4
117.28973	0.4
121.02827	0.6
125.05819	0.4
125.09626	0.6
135.08080	0.6
145.31035	0.4
151.11180	2.6
153.12840	0.5
155.85245	0.4
161.02467	0.5
163.11162	1.9
165.12830	1.3
169.12244	18.3
170.12535	0.8
171.10190	1.0
173.04488	0.7
173.12352	0.5
179.10687	0.5
191.05551	2.4
191.10704	0.9
197.11755	19.3
198.12088	0.7
209.11757	26.8
210.12054	0.8
221.08145	2.5
227.12814	3.5
241.10881	0.6
280.35324	0.4
315.14587	1.0
359.28058	6.6
360.28738	0.6
381.11594	0.5
423.13034	0.6
423.44894	0.4
525.27032	26.9
526.27423	2.8
557.29645	11.3
557.37231	0.6
558.30603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43806	1.0
55.01754	2.5
57.03321	9.1
58.00456	3.2
59.01249	100.0
61.13950	1.2
61.98691	4.4
67.01784	1.2
68.99670	1.5
69.03333	6.6
71.01251	68.9
71.28868	1.1
71.36145	1.5
72.99178	4.8
73.02815	26.4
75.00762	2.6
81.03309	2.7
83.01259	10.5
84.02071	1.4
85.02822	31.4
87.00748	10.8
89.02310	24.9
93.03326	3.8
95.01258	5.6
95.04855	1.2
96.95911	2.1
97.02809	5.6
97.07230	1.4
99.00727	5.8
101.02319	59.4
103.03892	27.3
113.02330	15.6
115.03912	2.2
119.03387	13.9
125.02334	24.4
127.03876	3.2
131.03369	1.5
135.02872	3.4
135.04399	1.5
143.03384	5.1
145.04974	4.8
153.52618	1.1
159.02837	2.5
161.04474	19.9
163.03908	2.3
163.06038	21.2
163.07358	2.5
173.04462	2.8
173.05908	2.1
175.07562	1.4
189.12720	2.6
191.05542	10.5
192.05905	1.3
201.05438	2.9
205.07088	2.1
209.11713	1.3
217.06537	2.3
219.06490	2.0
247.08163	8.9
249.14993	1.6
253.08740	1.4
281.06827	1.9
283.31384	1.1
307.10431	10.6
317.13892	4.5
335.22372	13.8
336.22449	1.4
351.17896	3.1
377.23245	1.4
435.11349	1.3
439.13983	1.8
497.23868	25.7
498.24097	4.1
557.25256	1.6
557.32660	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	557.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52391	1.0
59.01229	2.7
71.59274	1.5
73.61303	0.9
78.95771	69.5
80.96358	1.5
96.95898	1.2
96.96837	14.3
104.78263	1.0
134.43481	0.9
152.99483	64.8
178.80632	1.1
191.05492	3.7
223.00104	2.4
241.01155	35.4
241.21671	77.7
242.21992	4.5
315.04892	10.6
377.20901	8.3
486.97580	1.2
557.27252	100.0
558.27771	10.8
574.73248	1.0
583.29828	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	557.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.3
57.05045	0.9
59.01248	50.2
61.98681	0.9
68.92721	0.9
69.03316	2.0
71.01240	4.2
71.38957	2.1
78.95744	1.0
80.02554	1.9
81.03306	2.9
83.01242	3.6
83.04889	7.2
84.02042	2.7
84.98457	1.0
85.02818	1.3
87.00748	1.9
89.02307	1.7
93.03310	3.0
97.06436	2.2
99.00710	1.0
101.02280	1.7
112.04576	0.9
113.02283	1.1
125.09615	2.3
130.08263	1.1
135.02760	1.0
135.04402	1.5
135.08076	1.6
151.11186	8.0
153.12733	2.1
163.11151	5.6
165.12749	3.8
169.12247	68.8
170.12621	3.4
171.10172	2.3
173.04443	1.7
179.10649	2.5
181.12349	1.2
191.05530	9.7
191.10628	1.7
197.11760	62.4
198.12041	3.6
209.11763	100.0
210.12088	5.5
211.13327	1.1
221.08212	1.2
227.12828	12.6
241.10712	1.7
297.13199	1.5
299.25931	2.9
315.14407	3.2
357.26260	2.7
359.28012	16.3
360.28287	2.1
426.27133	1.1
468.57663	1.1
520.86774	1.0
525.27008	86.1
526.27496	12.0
557.29504	38.9
558.29974	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.6
55.39315	0.6
57.03331	1.9
59.01244	2.9
68.18071	0.6
69.03330	7.5
71.01252	2.4
71.04890	2.2
80.02533	1.5
81.03323	2.2
83.01245	2.4
83.04895	6.5
84.02043	1.5
85.02810	1.3
89.87307	0.6
93.03339	1.2
95.04888	1.6
97.06475	1.4
98.19733	1.5
99.00828	0.7
109.06492	1.0
117.11884	0.6
123.08060	3.1
125.09598	4.6
135.04422	0.6
135.08051	1.2
137.09593	1.0
147.11723	0.6
151.11163	5.3
153.12791	1.9
161.09645	8.6
163.11211	5.6
165.12761	2.5
179.10695	25.2
180.11002	1.2
181.12375	1.2
185.11748	1.1
191.05530	1.8
191.10771	1.4
197.11768	86.1
198.12059	3.8
199.18346	0.6
209.11772	63.6
210.12047	3.3
220.54575	0.7
223.09747	3.3
227.12834	9.0
241.10802	10.4
297.13397	4.7
315.14465	15.0
389.28134	0.7
463.26779	1.2
507.26224	1.2
523.02924	0.8
525.27026	100.0
526.27356	12.6
548.27075	0.8
557.29590	4.1
576.94141	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	558.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59383	0.6
54.81431	0.6
59.01235	1.1
61.98699	0.9
69.88834	2.9
78.95774	100.0
96.96842	6.6
120.95334	0.9
136.94881	0.9
152.99487	19.5
171.00543	18.8
171.02055	0.9
191.05551	2.2
204.26295	0.5
213.23022	0.5
241.01183	0.7
241.21689	1.1
242.22005	1.9
267.29434	0.6
279.23361	2.2
341.40900	0.7
384.23114	0.7
402.24271	1.1
424.20905	0.7
476.27808	63.5
477.28271	5.3
498.24808	5.7
499.25018	0.9
558.27350	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.9
63.96112	1.4
66.63527	0.5
69.96670	0.9
69.97078	2.3
71.01239	4.7
73.02806	1.2
78.98450	4.2
79.95599	7.5
80.96386	50.2
81.03327	1.1
85.02831	1.9
87.00754	2.1
93.03328	1.4
93.32153	0.5
94.97955	12.1
95.01257	0.7
97.02831	1.8
99.00784	0.6
101.02304	3.4
106.97948	2.3
109.02828	0.9
122.97456	4.7
125.02324	2.8
127.03921	1.6
134.97459	2.7
136.99042	1.2
137.02396	0.6
148.98990	4.5
152.98532	6.7
155.03381	1.7
164.98541	9.0
182.99600	2.0
188.98488	0.5
203.84547	0.5
206.99612	3.1
209.11801	3.7
225.00688	17.9
243.01740	2.0
299.04431	2.1
311.07654	0.5
318.26486	0.5
412.66049	0.5
527.10754	0.6
527.18158	2.6
559.20654	100.0
560.20941	7.6
586.78253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33522	0.5
59.01250	2.1
63.96104	1.0
69.46705	0.8
69.47113	2.6
71.01254	7.6
73.02812	1.1
78.98469	5.3
79.95604	9.1
80.96387	60.4
81.03309	0.7
85.02808	2.9
87.00742	2.2
89.02296	0.8
94.97959	12.7
96.95890	1.1
97.02845	1.8
99.00749	0.6
101.02307	2.4
105.72527	0.4
106.97957	2.7
113.02343	0.5
122.97459	3.3
125.02330	3.3
127.03820	1.0
129.51665	0.4
134.97464	5.0
136.98999	1.2
148.99051	5.6
152.98531	5.8
164.98538	12.7
167.00020	0.6
167.23602	0.5
188.98579	0.7
191.05597	1.5
206.99628	2.5
209.11792	3.5
210.60866	0.4
225.00697	18.9
299.04547	3.1
313.50638	0.6
361.18564	0.8
391.55151	0.4
426.39743	0.4
527.17883	3.2
551.24158	0.5
559.20624	100.0
560.21014	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	559.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36683	0.9
55.01760	1.9
57.03307	2.2
58.00449	2.4
59.01247	82.9
62.47465	1.2
69.03313	2.6
69.79877	3.7
69.80289	1.7
71.01249	38.7
72.99181	3.9
73.02815	26.1
75.00743	2.1
83.01261	4.3
84.40154	1.1
85.02813	15.5
87.00739	9.7
87.04377	2.6
89.02306	27.3
89.02827	2.2
93.03315	6.0
95.01244	1.7
96.95863	1.7
97.02815	1.8
98.19781	1.5
99.00736	2.2
99.04414	1.1
101.02316	57.9
103.03892	23.5
113.02319	9.5
115.03846	5.5
119.03381	12.5
120.19478	1.2
125.02316	5.0
127.03886	2.8
128.45647	1.2
131.03397	8.4
139.11200	1.1
143.03398	11.5
145.04979	6.9
155.03439	1.4
161.04437	3.6
163.06020	100.0
164.06346	2.6
169.12270	2.0
171.10207	2.2
173.04443	5.8
191.05507	15.7
197.11688	3.2
201.11151	2.4
205.07092	27.2
209.11606	2.0
233.11453	1.2
235.08192	1.7
235.36528	1.1
265.09314	8.8
270.05548	1.6
305.17435	2.3
307.10349	1.1
353.19589	2.2
499.25610	3.4
527.16888	1.1
531.93701	1.2
559.34045	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	559.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.8
57.03317	2.4
59.01244	16.9
61.32219	1.2
69.03333	3.0
69.63202	1.1
71.01241	7.8
71.04894	7.5
73.02802	2.0
80.02552	1.8
81.03339	1.9
83.04914	9.6
85.02825	6.0
87.00778	3.3
89.02325	4.6
93.03325	6.0
95.04890	3.9
96.95892	2.0
97.02853	6.6
97.06464	5.2
99.00763	21.9
99.20899	1.4
101.02322	4.3
109.06474	3.1
110.03660	1.5
111.04361	2.3
113.02348	2.2
117.18678	1.5
123.07995	2.4
125.09589	12.5
135.04491	1.9
135.08051	3.1
149.04430	2.4
153.12798	1.5
161.09752	1.5
161.96759	1.2
163.11186	24.5
164.53677	1.3
165.12778	3.3
169.12312	1.8
171.10092	2.1
173.04439	4.0
181.12250	53.4
182.12648	1.8
191.05518	15.7
197.11818	4.1
199.13304	14.8
207.10199	42.3
208.10628	1.7
209.11760	93.2
210.12086	4.8
223.10930	1.6
225.11263	77.3
226.11588	4.7
227.12781	18.1
243.12329	52.5
244.12575	3.8
299.15002	8.8
317.16046	34.6
318.16232	2.1
323.22842	2.0
409.15311	1.4
509.27463	9.4
518.96436	1.5
523.25702	2.0
527.28607	100.0
528.28937	11.1
559.30280	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	559.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43346	0.7
59.01248	4.1
61.98679	0.7
71.01239	3.4
71.58846	1.0
73.02790	0.9
78.95756	1.5
80.96395	2.0
85.02818	1.9
87.00746	1.4
89.02327	2.5
93.03331	2.0
96.95908	0.8
101.02318	2.8
102.26537	0.7
102.87144	0.8
113.02333	1.3
138.27043	0.8
161.04396	1.6
166.39938	0.9
173.04524	1.7
191.05534	11.7
192.05904	1.0
235.08238	1.3
253.09248	18.2
277.21695	100.0
278.22058	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	559.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21397	0.4
55.01753	2.0
57.03329	1.6
58.00450	1.2
59.01248	90.5
60.01587	0.9
61.98708	0.7
67.01772	1.0
69.03333	1.4
69.86189	2.7
71.01250	30.6
72.01565	0.7
72.99184	1.6
73.02813	5.8
73.03196	0.7
75.00742	0.7
81.03338	0.7
83.01247	3.6
85.02818	13.8
85.58379	0.5
87.00755	3.0
88.98606	0.6
89.02312	20.7
93.03325	5.0
95.01266	2.3
96.95884	6.8
97.02834	0.7
97.37278	0.5
98.19822	0.5
99.00780	2.9
101.02317	24.5
111.04407	0.7
113.02319	14.3
113.03048	0.9
119.03394	8.1
129.01762	0.6
131.03387	0.9
143.03398	1.9
145.03986	1.7
147.04614	0.5
148.52710	0.6
155.03349	0.8
159.02892	1.7
161.04449	9.8
173.04480	2.7
179.05559	5.3
191.05545	12.7
192.05791	0.8
324.10147	0.9
337.23944	3.4
353.13910	1.9
385.16605	1.7
402.00543	0.5
404.59988	0.5
499.29105	100.0
500.29407	11.6
500.36649	0.4
527.19250	1.5
559.21771	1.0
559.30701	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	559.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27261	0.7
55.01753	2.5
57.03322	2.8
58.00441	0.6
59.01250	100.0
60.01580	1.4
61.43887	0.6
71.01254	26.7
72.99175	0.7
73.02820	10.2
83.01260	4.9
85.02818	14.3
87.00754	1.9
89.02324	3.3
93.03308	1.2
95.01271	1.8
98.20547	2.1
99.00748	4.6
101.02322	28.7
105.96102	0.8
112.90172	0.7
113.01595	1.3
113.02317	10.9
121.02840	58.0
122.03194	1.3
125.02316	0.6
129.01878	0.7
143.03366	1.4
159.02939	1.9
161.04463	14.4
173.04443	1.0
191.05539	5.2
231.11543	0.7
231.92648	0.7
240.33807	0.6
277.21515	0.8
337.23938	7.1
377.14679	1.0
381.22867	1.0
452.62158	0.8
499.29117	94.3
500.29318	11.7
559.31311	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	561.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	5.4
63.96054	1.2
65.36771	1.0
67.01758	18.0
69.03296	2.8
71.01250	8.2
71.58483	1.4
71.71822	1.0
73.02811	2.4
75.70173	1.2
77.29953	1.1
78.95773	3.1
79.95586	1.4
80.96389	16.9
81.03334	2.5
83.04876	1.2
84.14524	1.2
85.02817	4.8
87.00742	2.8
89.02303	2.6
93.03329	14.0
94.97942	4.7
95.01236	4.9
96.95871	2.8
97.02812	4.7
99.04398	2.0
101.02308	5.7
106.97926	1.8
111.04420	7.2
112.68970	1.1
113.02372	2.6
115.00273	1.3
121.02850	3.0
123.04377	5.3
127.03898	63.1
134.97484	1.5
137.02312	3.1
148.99005	1.9
149.02328	4.3
152.98476	2.1
152.99547	2.2
155.03394	23.0
164.98486	3.3
173.04472	9.0
175.02422	1.6
183.59869	1.1
191.05554	4.5
201.03894	2.3
201.11227	3.3
202.56653	1.2
206.99521	1.3
209.11731	3.0
213.51328	1.2
217.07089	5.5
225.00710	7.7
241.01039	1.2
311.07846	2.1
329.08752	32.6
330.08984	1.8
343.07645	1.2
349.84097	1.2
361.06729	1.4
367.10339	3.0
381.11810	1.4
471.15103	1.3
543.17639	12.8
544.17419	1.4
561.18323	100.0
562.18463	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	561.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76588	0.4
52.28220	0.5
53.07019	0.5
54.54484	0.4
57.03325	4.7
59.01250	6.5
63.02395	0.4
67.01395	0.8
67.01759	14.9
68.99685	2.9
69.03323	3.3
71.01257	7.0
71.35638	0.8
72.99176	0.5
80.96398	3.1
81.03339	2.1
83.01244	0.6
83.04899	0.8
85.02811	2.5
87.00768	1.2
89.02308	4.9
92.41028	0.4
93.03330	19.5
94.03701	0.7
94.97932	0.6
95.00639	0.5
95.01254	9.9
95.04903	1.6
96.95895	0.5
97.02848	0.8
97.81561	0.5
99.00725	0.6
99.04388	0.5
101.02320	7.3
109.02821	1.4
111.00772	1.1
111.04400	5.0
112.01528	0.6
113.02341	1.5
116.91042	0.4
119.03370	0.8
121.02836	13.5
123.04404	7.9
127.03896	33.2
137.02339	0.8
138.05493	0.4
139.03900	1.3
148.98962	0.4
149.02364	1.4
152.98491	0.5
155.03401	34.3
156.03731	1.2
157.04965	100.0
158.05304	3.1
173.04462	9.0
191.05559	1.0
193.05066	0.5
196.09314	0.5
197.88025	0.4
217.51947	0.5
225.00623	1.1
297.09784	0.8
311.07703	0.9
329.08749	37.8
330.09137	1.8
381.11664	0.8
399.12845	1.0
471.15363	3.7
472.25238	0.6
543.17749	0.8
549.04120	0.5
561.18201	86.8
562.18469	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	561.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68190	0.3
51.77187	0.3
55.01749	0.5
57.03309	1.2
59.01247	7.7
63.72818	0.3
67.01763	3.5
68.99690	3.4
69.03320	1.4
70.92957	0.7
71.01247	7.5
72.99170	0.5
81.03333	1.3
82.80518	0.3
83.01262	0.5
83.04902	0.9
85.02815	2.1
87.00762	0.7
89.02325	3.6
92.24108	0.3
93.03333	15.1
94.03722	0.4
95.01262	23.1
96.01598	0.8
97.02843	0.5
99.00763	1.1
101.02320	9.3
108.02051	0.4
109.02847	1.0
111.00787	0.9
111.04406	3.6
113.02312	1.2
117.57649	0.4
119.03383	1.5
121.02836	0.9
123.00759	0.8
123.04404	8.4
127.03900	0.9
129.01822	1.0
137.02271	0.8
143.03488	0.5
149.02351	1.1
155.03401	100.0
156.03723	3.4
157.04982	1.3
172.67226	0.3
173.04463	10.2
174.04852	0.4
175.03859	0.4
179.05542	0.6
181.05005	0.9
193.04956	0.6
225.07645	1.0
245.53397	0.3
311.07663	0.7
329.08823	4.9
339.04227	0.4
367.10471	0.5
381.12033	0.7
399.12985	0.6
529.15576	0.4
561.18213	69.4
562.18524	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	561.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74430	0.7
57.03323	14.5
58.11594	0.7
59.01250	14.7
65.03831	2.1
67.01763	1.9
68.15444	0.7
68.99688	4.9
69.03320	2.6
69.41984	1.6
69.42367	6.7
71.01250	12.8
72.99184	2.0
73.02810	1.6
76.54530	0.7
81.03279	0.9
83.01262	1.7
85.02821	14.2
87.00745	5.5
89.02317	11.8
93.03327	9.2
95.01263	7.0
96.95889	2.8
97.02841	1.2
99.00750	1.7
101.02315	11.4
111.00764	2.9
111.04410	1.8
113.02325	3.1
119.03389	3.5
121.02846	1.1
123.04408	7.4
129.01826	100.0
129.05472	1.5
130.02162	1.6
131.07053	1.8
137.02342	1.0
143.03470	1.1
149.02318	1.8
149.04462	1.1
155.03403	21.0
156.03732	1.4
161.04457	1.9
165.16354	0.8
173.04466	40.5
174.04849	0.8
175.03925	1.0
179.05553	2.9
191.05528	6.9
225.07649	2.7
432.55197	0.8
471.15320	1.0
499.26541	0.7
543.18207	1.7
543.35114	0.9
561.18286	16.9
562.18622	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	561.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.0
57.03304	1.0
58.00456	1.7
59.01245	34.3
67.01770	1.8
69.03318	12.6
69.45003	5.5
69.45412	1.4
71.01252	22.8
71.69183	0.7
72.99161	1.7
73.02806	5.0
83.01245	1.8
83.04889	1.0
85.02819	12.1
85.06415	0.6
85.32734	0.7
87.00742	4.7
89.02316	30.6
93.03322	6.9
95.01206	0.7
96.95885	6.0
97.02787	1.2
101.02331	15.6
105.03346	2.2
111.00757	1.0
111.04353	2.0
113.02324	23.5
115.03895	1.0
119.03378	2.0
120.96088	0.7
125.02293	1.8
125.09602	1.3
131.03386	11.6
133.02835	14.2
134.03545	1.0
135.04385	1.4
137.02306	0.8
143.03302	0.9
149.04451	21.4
155.03384	1.0
161.02322	1.0
161.04497	0.8
163.06041	1.0
173.04463	11.5
177.01843	11.9
178.02533	1.3
179.03380	0.9
191.05524	24.5
207.17400	1.5
233.15436	0.8
249.14868	1.1
251.16513	4.5
252.89491	0.7
260.14343	0.7
311.09790	0.9
351.07300	0.9
369.09464	1.5
369.13562	1.2
387.14963	1.0
431.21075	0.9
465.79892	0.8
561.25452	100.0
562.25891	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	561.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16468	0.5
55.01766	0.8
57.03313	1.6
58.00461	3.3
59.01249	78.6
60.01552	0.5
61.12487	0.4
69.34390	2.9
69.34802	1.2
71.01250	59.7
72.01611	0.9
72.99171	3.0
73.02814	9.2
75.00738	0.8
83.01248	2.1
85.02816	8.1
85.03288	0.8
85.76577	0.5
85.99969	0.8
87.00756	4.4
89.02314	100.0
90.02647	0.9
93.03337	1.0
96.95895	2.1
99.00758	1.0
101.02321	42.7
102.02636	0.5
111.00763	0.5
113.02327	8.9
119.03388	6.1
121.06477	0.5
123.04475	0.5
125.02339	1.7
129.01825	1.0
131.03392	31.5
132.03755	0.7
137.09630	3.5
143.03430	1.3
149.04456	85.5
150.04807	1.3
161.04431	1.9
173.04445	0.6
191.05537	20.7
192.05951	0.8
203.21783	0.4
251.07664	0.9
281.08801	1.1
293.08609	1.4
311.09897	2.6
487.02408	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	561.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08870	0.9
58.00458	3.0
59.01247	72.3
67.89523	1.4
69.29932	11.1
70.08063	1.1
70.47772	1.0
71.01250	50.3
72.99175	4.3
73.02814	9.4
79.95593	1.9
83.01247	2.0
85.02807	9.3
87.00752	4.7
88.26865	1.0
89.02312	92.6
93.03310	2.7
96.95884	84.8
96.96887	3.2
97.02772	1.5
99.04391	15.5
101.02315	48.0
102.02655	1.0
102.14647	1.1
113.02335	11.3
119.03365	7.5
125.02345	1.1
131.03383	35.0
133.02823	1.2
135.04448	1.1
137.09579	1.3
143.03462	2.7
149.04456	100.0
150.04791	2.2
161.04443	2.3
167.24434	1.0
173.04463	2.8
180.22578	1.1
180.76997	1.2
191.05516	32.9
251.07707	2.0
293.08582	1.4
311.09775	3.3
561.25610	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	562.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27144	0.7
53.20098	0.7
59.01249	5.3
59.94720	0.7
61.98681	3.0
62.11340	0.7
67.27254	0.7
68.66162	0.7
70.00751	3.2
70.01160	1.1
71.01256	1.5
73.65824	0.8
78.03047	0.8
78.95773	23.1
85.02785	1.6
85.06440	3.0
85.37093	0.6
87.00728	0.8
88.52574	0.7
93.03310	3.2
96.95869	1.2
96.96824	2.0
100.34050	0.7
101.02316	0.7
124.35421	0.8
140.01080	3.0
142.54277	0.7
152.99429	4.0
171.00516	2.0
171.10176	0.9
173.04504	1.5
191.05518	12.3
196.03699	1.2
199.13332	3.7
214.04776	3.5
217.25706	0.7
261.18420	1.0
279.19641	19.1
347.25812	6.9
365.26926	100.0
366.27209	8.6
562.31488	26.9
563.21783	1.3
563.31714	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	563.1783
Annotation	2,7-Dihydroxy-4-methoxyphenanthrene 2,7-O-diglucoside
Peak:m/z	Relative Intensity
57.03325	1.2
58.00446	0.9
59.01246	20.7
60.46938	1.1
61.98695	3.2
67.01752	2.5
69.03317	2.0
71.01254	14.9
72.99190	2.3
73.02809	1.6
74.10076	1.0
82.88861	1.1
83.04883	1.5
85.02814	12.9
85.46594	0.9
87.00749	8.3
89.02316	19.5
90.02682	1.5
93.03327	18.9
96.05865	1.1
96.95904	2.3
96.98494	1.0
101.02322	10.9
111.04380	4.7
113.02351	4.0
119.03374	2.3
119.04936	1.7
127.03893	1.8
129.01884	1.1
131.03410	5.4
132.03693	1.0
137.02312	1.8
143.40877	1.1
147.04413	2.3
148.05194	2.8
149.04454	14.5
150.04822	3.5
151.03891	2.2
151.04967	1.9
154.81734	1.0
155.03445	1.0
160.01465	1.0
161.02357	3.7
173.04489	18.3
174.01637	2.5
174.03087	1.3
174.09288	1.1
176.04689	1.4
177.01843	1.4
189.05484	1.4
191.03732	3.9
191.05527	100.0
191.06946	5.2
192.04153	1.3
192.05898	3.7
193.04990	4.0
193.59425	1.2
206.05807	1.5
218.93109	0.9
220.03709	1.1
225.05531	1.9
225.09094	1.2
226.06300	1.1
229.12315	1.6
233.06512	2.3
235.06190	1.6
237.05548	3.0
239.07317	1.4
250.06300	1.2
251.07211	1.4
253.04996	3.0
253.08621	2.0
254.05742	1.4
254.09421	1.3
255.10309	1.2
255.13803	1.4
265.04956	2.4
266.05658	1.2
267.02963	5.4
267.06549	2.1
268.07104	1.1
269.08255	2.1
279.06659	3.7
281.04575	5.2
281.07697	1.3
282.05383	5.7
283.13458	2.6
284.10907	1.2
285.07568	1.3
293.08267	1.7
294.05377	2.9
296.06900	4.9
297.07733	7.8
298.08246	1.5
299.13080	1.5
301.14529	2.2
308.06891	1.9
309.04266	1.8
309.07584	4.7
311.09216	3.0
311.12759	2.1
312.09875	5.6
322.04724	2.7
323.05493	1.9
324.06458	7.4
325.03598	1.4
325.07080	2.6
327.12323	3.6
327.15979	5.3
329.09357	1.1
329.13821	1.7
336.06430	2.3
337.07135	9.4
339.08749	9.2
340.05634	2.1
340.09241	1.6
341.06619	5.3
345.17010	5.1
351.08713	2.7
352.09567	2.6
353.06616	14.9
353.09943	1.0
353.13663	4.8
355.08255	3.8
356.08865	11.4
357.09439	1.4
357.13504	3.8
368.08942	13.1
370.10611	2.1
371.07870	0.7
371.11200	47.5
371.15146	8.1
372.11740	3.6
383.11340	59.3
384.11761	4.4
389.15912	4.7
401.12372	40.9
402.12766	2.1
413.12366	1.2
533.16956	2.0
545.20087	2.8
563.20459	12.6
563.30261	2.2
564.20721	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	563.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	20.4
60.99162	2.6
61.98693	3.5
62.95041	1.3
63.52987	1.4
65.76641	1.6
67.01750	4.3
69.03316	1.6
71.01251	6.2
71.58466	1.5
72.99165	2.2
75.35146	1.6
85.02818	10.6
87.00739	7.9
88.91512	1.6
89.02297	1.8
93.03333	32.8
96.95892	4.1
101.02319	2.8
110.46296	2.1
111.04399	6.0
127.03909	2.3
135.04387	5.3
137.02367	4.2
155.03497	2.1
158.03630	1.9
161.04395	1.8
171.10208	2.3
173.04454	37.8
173.05974	1.9
187.07610	4.3
191.05522	100.0
192.05888	5.7
201.05507	2.8
203.07011	3.7
205.08557	2.1
209.11803	3.1
215.07042	5.5
230.09427	3.0
231.06441	1.9
233.08218	8.5
247.09714	4.4
274.08304	3.1
291.19672	5.3
345.13821	3.8
389.15717	1.8
405.16983	1.9
423.12628	3.9
449.14352	4.6
466.14441	2.2
483.20621	2.9
503.28305	3.9
507.13373	1.8
545.20160	2.3
554.98895	1.6
563.20667	17.6
564.20721	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	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	0.3
59.01248	100.0
60.01590	0.8
60.99175	0.4
61.98692	0.3
65.41376	0.2
67.01768	1.8
69.03319	0.6
70.23152	0.8
71.01260	1.0
72.99194	0.3
73.02840	0.3
81.03368	0.3
83.04916	0.4
85.02821	3.3
87.00749	2.4
93.03334	9.2
93.03898	0.6
94.03706	0.4
99.00735	0.3
109.02850	0.4
111.04382	1.7
113.02345	0.4
127.03954	0.8
135.04404	0.6
137.02373	0.9
150.03146	0.3
151.62424	0.3
154.02684	0.4
155.03404	0.7
159.04396	0.4
161.83974	0.3
171.02914	0.8
171.10307	0.4
173.04457	10.0
174.03200	0.4
174.53577	0.3
175.00291	0.8
175.03943	0.6
175.07547	0.3
176.01102	1.0
177.09225	0.3
178.02722	0.4
185.05855	0.3
187.03999	0.7
187.07625	0.6
189.01910	0.4
189.05560	0.4
189.09174	0.5
191.05533	26.7
192.05965	0.9
199.07722	0.3
200.04668	0.3
201.05576	0.3
201.09164	0.5
203.07091	0.7
204.07985	0.3
205.08702	1.1
209.11769	0.4
215.07062	1.6
229.08778	0.7
230.09477	0.7
231.10335	0.4
232.07426	1.0
233.08229	6.4
234.08603	0.4
247.09718	1.9
248.10928	0.3
256.07483	1.1
274.08450	2.3
292.09427	0.4
339.13281	0.3
370.73709	0.3
371.15002	0.3
389.15860	0.3
423.13260	0.6
449.14630	0.8
466.14914	2.0
503.28595	0.3
551.28571	0.3
563.21155	6.1
564.21985	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	565.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57239	1.5
56.00381	1.7
57.03310	4.3
59.01238	12.8
67.01756	6.6
68.99685	5.3
69.03317	6.3
69.50735	12.7
71.00900	1.7
71.01243	13.5
72.11384	1.6
72.96468	1.7
72.99183	5.5
75.00744	16.2
81.03300	2.0
83.01264	2.4
85.02827	11.6
87.00748	34.3
89.02305	11.5
95.01264	19.0
95.04870	2.4
96.38715	1.6
96.95889	11.7
97.02821	6.1
101.02319	11.3
105.01817	25.6
112.56040	1.4
113.02332	2.6
119.03358	1.9
121.02831	5.1
123.04395	6.7
127.03905	12.8
129.01799	8.6
131.03391	5.5
132.37546	1.7
135.04427	2.3
139.00244	2.0
149.02333	9.4
150.03331	2.0
152.02332	1.6
153.78053	1.5
155.03403	66.2
155.04678	3.2
156.03720	2.6
161.04468	35.8
163.03879	2.2
164.04686	2.8
165.05429	1.8
177.03951	3.9
179.05579	5.6
181.01509	1.7
191.05495	6.3
208.03706	4.7
223.06047	11.5
227.31114	1.9
267.27341	1.7
333.08240	27.7
561.09882	2.2
565.17664	100.0
566.18097	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	565.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44334	1.1
57.03306	3.0
59.01248	7.1
67.01741	2.2
68.99680	3.1
69.03329	2.9
69.77312	6.4
71.01252	7.1
71.13696	0.9
72.99158	3.8
73.02811	1.9
75.00742	47.2
79.01788	1.2
83.01274	1.0
85.02829	7.7
87.00745	2.9
89.02292	4.0
93.03348	1.3
95.01260	28.2
95.04895	1.2
96.95857	3.6
97.02827	4.0
99.00739	2.2
101.02335	8.2
111.00745	1.8
113.02354	5.3
119.03363	1.0
121.02829	2.8
123.04374	4.5
127.03911	1.5
129.01836	6.3
130.90868	1.0
137.02333	2.2
141.01776	2.0
146.13046	1.0
149.02309	2.3
155.03409	100.0
156.03728	2.2
161.04398	2.3
165.83804	1.0
173.96700	0.9
177.03952	4.0
179.05548	1.1
181.01324	2.8
191.05519	1.9
214.60115	1.1
221.06558	5.4
241.44427	1.1
275.07874	1.4
301.05548	2.5
319.06650	2.5
333.08347	7.9
334.08521	1.1
367.85516	1.1
371.09662	3.4
565.17664	66.3
566.18195	8.1
579.70020	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	567.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	5.9
57.03307	7.2
58.00470	3.8
59.00943	4.9
59.01247	98.2
60.01579	2.7
61.72150	1.9
61.98691	4.7
64.84310	2.0
68.57210	1.9
69.03309	6.2
71.01247	100.0
72.99174	6.1
73.02814	33.0
74.98978	2.1
75.00719	4.7
75.54086	2.1
83.01252	21.4
83.04881	2.3
85.02818	47.2
87.00741	13.6
89.02309	29.2
89.55704	2.0
93.03329	18.0
95.01235	6.5
96.95883	5.5
97.02831	9.0
98.20537	6.9
99.00736	10.5
101.02316	70.1
103.03905	8.5
103.26898	2.1
107.24998	1.9
109.02846	2.7
111.04418	3.5
113.02322	31.1
115.91952	7.0
116.92753	4.1
119.03391	12.8
120.99496	3.0
125.02321	10.0
127.03909	2.6
128.03394	2.4
129.01807	3.1
131.03383	2.3
135.04378	4.3
137.02315	3.9
143.03400	2.9
145.04962	2.5
159.02890	6.8
161.02394	2.5
161.04468	42.9
163.03995	3.2
163.06010	7.1
173.04572	10.7
175.03845	3.2
177.04051	3.0
191.05522	42.8
192.05867	6.6
193.05983	2.6
195.05026	5.4
199.02177	2.6
201.09175	2.2
205.78958	2.1
213.05490	7.2
227.07185	2.6
229.06880	2.6
229.52045	3.5
247.08185	6.1
307.10181	5.1
317.36673	2.2
361.12878	62.0
362.13278	4.5
407.18082	2.4
507.18625	82.9
507.25879	2.7
508.18964	8.3
549.19519	4.2
567.19720	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	567.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81951	1.2
53.67513	1.2
57.03321	2.5
57.15915	1.1
57.72614	1.4
59.01238	6.0
61.98677	1.6
71.04911	1.1
71.58234	1.2
71.58606	1.3
78.95787	1.5
80.02543	3.1
81.03311	2.2
83.04898	7.5
84.02025	2.0
93.03310	1.4
96.95862	4.7
121.06490	2.7
123.04356	4.3
123.08041	8.4
125.05916	2.1
125.09628	1.6
137.80182	1.3
139.11171	6.7
142.02652	2.9
149.09583	1.5
151.11166	3.1
155.10580	1.2
155.14267	2.0
163.11218	6.3
165.12727	4.7
169.12122	1.5
191.10757	2.0
199.09525	1.6
199.13322	16.2
209.11752	100.0
210.12097	4.3
217.15762	1.4
227.12845	28.2
245.18954	7.9
269.07019	5.1
271.16843	2.4
283.08582	3.2
289.18100	51.8
290.18326	4.5
295.08698	1.6
297.10147	2.5
307.19128	86.8
308.19421	7.7
309.10349	5.0
359.22156	1.6
427.06030	4.8
467.09079	2.9
485.32730	2.6
567.31213	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	569.2997
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
51.03569	0.5
55.97123	0.5
57.79701	0.5
59.01255	1.1
59.07304	0.5
63.96100	1.0
67.77829	0.5
69.03294	0.9
71.01252	7.4
72.48498	0.5
73.02798	1.8
78.98456	5.4
79.95604	9.4
80.96386	70.5
81.03308	1.0
85.02815	2.7
87.00759	3.2
87.05676	0.5
89.02296	0.6
94.97952	17.4
94.98564	0.9
96.95886	1.3
97.02830	1.5
98.19727	0.9
101.02301	2.3
106.97982	3.2
122.97482	3.1
125.02312	3.7
127.03885	0.8
134.97461	4.8
136.98981	1.6
139.60611	0.5
148.99068	6.5
152.98558	5.0
161.04684	0.5
164.98541	12.6
165.98885	0.7
184.67967	0.5
206.99614	2.9
212.15578	0.5
225.00690	16.1
231.00876	0.5
269.24741	2.7
271.95917	0.5
272.96973	0.5
299.04407	3.3
569.29950	100.0
570.30353	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	571.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69627	0.9
51.40803	0.9
59.01241	7.8
59.74911	1.1
61.98687	2.3
70.09937	4.8
71.01243	1.5
72.08540	0.9
72.71352	1.1
77.50491	1.0
79.95627	1.0
80.96347	1.5
85.02846	1.8
87.00729	1.7
91.01752	4.7
96.95871	3.2
108.02039	2.4
116.92726	1.6
119.01254	4.8
133.02812	3.7
133.99933	1.3
135.00752	1.3
147.00798	2.8
148.01535	3.2
152.99492	1.5
159.72112	1.2
160.01501	1.1
161.02371	6.2
163.00259	32.7
164.00610	1.2
171.10144	1.6
173.04495	1.5
176.01065	57.9
177.01826	16.1
182.03452	1.3
189.01849	2.4
190.99779	80.1
191.03400	24.5
191.05434	7.7
192.00116	4.0
193.06599	1.3
206.02090	15.2
206.03664	1.8
207.02652	1.2
207.04449	2.4
209.11771	11.6
210.02930	1.3
213.01927	1.5
218.03696	1.5
218.93123	1.0
219.04390	2.6
222.03165	3.3
226.02719	1.2
231.04462	5.4
232.05176	1.7
233.06021	1.3
234.03221	4.0
235.03931	5.5
237.01776	1.7
237.61382	1.3
238.02679	3.3
246.03169	19.0
247.03961	16.7
248.04694	2.0
249.05418	1.5
250.02670	5.7
251.03448	3.3
253.01332	1.2
253.05132	1.7
259.04010	16.0
260.04565	3.2
261.05563	13.5
262.02698	10.5
262.05975	2.6
263.03387	7.9
264.03961	1.1
266.02179	7.7
275.03491	100.0
276.03827	7.7
277.05005	18.3
278.02408	1.8
278.05399	1.3
288.04315	11.0
289.04959	6.0
290.02206	39.1
291.02924	19.7
292.03375	3.1
294.01608	5.3
303.02951	18.9
303.06616	4.5
304.03543	1.9
305.04507	59.4
306.01587	5.8
306.05038	6.4
307.02689	1.9
307.06122	4.8
309.03885	1.5
319.02454	9.9
320.02994	1.9
321.03970	27.5
321.07654	1.8
322.00992	2.9
333.03967	11.8
337.03458	3.5
347.01871	4.8
349.03397	2.7
350.04431	5.8
351.04980	4.0
365.06641	13.9
366.05865	2.3
367.05353	1.1
381.03177	1.5
435.05093	3.5
438.02628	1.1
467.07495	3.2
469.05627	2.6
480.04657	1.7
481.05276	3.2
495.07053	2.2
497.05057	2.6
512.07904	2.0
513.04254	1.5
527.09119	1.4
539.05988	2.5
541.04504	4.8
556.06421	29.7
557.06531	5.3
571.08771	67.4
572.09137	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	571.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.9
61.98702	2.0
64.29842	0.6
64.85081	0.7
65.00201	2.0
69.03325	0.6
71.01251	1.7
75.02248	0.8
78.95766	0.8
85.02835	1.6
87.00757	0.7
89.02303	0.7
90.09959	0.7
91.01763	14.0
93.03321	2.8
96.95890	2.4
101.02327	1.1
108.02033	2.2
118.61785	0.8
119.00458	1.3
119.01274	15.9
133.02831	1.1
135.00743	2.3
135.04404	1.1
135.08148	0.7
147.00784	4.4
147.04449	0.7
148.01553	1.7
149.02263	1.1
152.99500	0.8
161.02335	13.6
161.99429	3.7
163.00270	82.9
164.00667	3.7
171.10193	2.1
173.04472	1.0
175.00240	1.4
176.01060	64.3
177.01816	10.5
178.02531	2.2
189.01883	1.3
190.99782	100.0
191.03419	62.9
191.05450	5.8
192.00185	5.0
192.03711	3.2
205.01361	1.0
206.02133	12.7
207.09932	0.7
209.11766	6.3
216.09645	0.7
221.00900	1.7
223.13335	1.1
224.13634	0.8
235.03961	2.0
237.01938	0.8
237.05437	0.9
238.02591	0.9
247.04106	1.6
253.01387	0.9
259.04242	0.8
261.05472	1.0
262.02664	2.3
263.03445	2.8
265.04993	1.3
266.02136	2.3
275.03528	15.2
276.03909	1.8
277.04944	5.0
278.02066	0.8
279.02969	2.8
290.02188	8.1
291.02921	8.4
291.06369	1.3
293.04535	1.5
294.01801	1.1
294.05151	1.0
303.02905	5.4
305.04520	17.5
306.05069	2.5
307.02417	3.0
307.05679	0.9
308.02994	1.2
317.76563	0.7
319.02426	15.4
320.02792	1.6
320.70810	0.7
321.00308	1.8
321.03976	10.3
322.01422	1.2
322.04535	3.6
327.22076	0.7
333.04074	3.5
335.01840	3.7
335.05630	2.7
337.03540	1.5
337.07108	6.5
347.01724	0.9
348.99771	1.9
349.03525	5.7
350.04282	5.0
351.04996	1.4
364.02145	1.6
365.06659	12.3
366.07156	0.8
367.04416	1.8
379.04367	1.7
467.07825	1.0
495.07269	1.5
497.05093	1.2
511.06766	1.3
512.07220	1.7
515.09528	2.5
528.06879	2.3
539.06348	1.4
541.03796	1.0
543.09204	2.9
556.06433	21.6
557.06415	3.1
571.08765	71.6
572.09131	9.4
573.25146	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	571.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12014	0.9
57.03319	15.7
59.01251	13.4
69.03334	5.1
71.01249	13.8
71.59000	0.9
72.99169	7.8
73.02818	4.7
74.02341	0.9
75.00742	52.0
81.03350	1.9
83.01293	1.2
83.04906	1.1
85.02813	4.8
87.00747	13.6
87.87033	1.0
88.98681	1.1
89.02333	5.2
93.03328	9.9
95.04897	2.1
96.95872	4.0
97.06461	2.8
99.00750	4.1
99.04376	2.5
101.02307	5.6
108.02030	3.9
109.02846	5.3
111.04382	2.1
113.02321	2.2
113.05966	1.2
115.00249	37.0
119.03428	1.9
119.04927	1.2
120.99525	1.0
121.02760	1.4
122.03624	1.6
123.04407	6.3
123.08038	2.5
125.02362	1.6
127.00332	1.0
127.03885	6.7
128.03392	1.8
129.01872	1.5
134.03574	1.3
135.02872	9.4
135.04398	3.0
136.01511	2.0
137.02324	2.3
137.06020	1.9
139.07553	7.0
141.05447	3.8
141.09125	2.7
143.04517	1.4
149.02342	1.3
150.03117	2.6
151.03922	2.0
157.01297	2.8
161.05945	1.1
163.03882	1.4
163.07504	3.7
165.05499	5.4
167.07033	4.5
171.10155	1.1
173.04443	4.4
175.02391	53.0
175.82434	1.0
176.02711	1.7
179.03406	1.3
179.06976	1.9
185.00800	3.0
185.08109	45.1
186.08467	1.6
187.07463	1.1
191.05524	16.3
192.05923	1.4
193.04893	1.3
195.06471	1.4
197.08098	2.4
209.11736	1.3
210.59387	1.0
243.10408	1.0
245.11668	1.2
247.13255	1.1
275.09210	1.3
291.12381	100.0
292.12680	6.0
310.24628	1.2
327.12311	1.8
339.35861	1.1
349.12967	2.5
365.13794	2.9
373.18494	4.5
409.13190	1.4
449.14377	1.8
453.17740	2.1
511.18491	5.1
571.20874	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	571.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98860	0.2
58.00464	0.5
59.01246	3.3
59.39506	0.3
67.01739	0.3
67.72172	0.3
69.03291	0.3
69.57992	2.1
71.01247	2.2
72.99172	0.4
73.02815	1.1
75.00744	4.9
83.01270	0.3
85.02846	0.6
87.00732	0.6
89.02319	1.0
93.03323	1.1
96.95884	1.0
97.06435	0.4
99.05499	0.4
101.02318	1.3
109.02851	0.5
110.78914	0.3
113.02316	0.4
120.99570	0.6
127.04990	0.3
130.08582	0.3
134.03654	0.3
135.04398	0.5
141.42691	0.3
173.04414	0.5
179.03374	0.4
179.05568	0.4
191.05496	3.0
192.05908	0.3
209.11754	0.8
229.15915	0.4
249.59315	0.3
253.04625	0.4
257.12344	0.4
257.15378	0.7
263.15076	0.4
273.14810	0.5
275.16489	11.7
276.16809	1.1
285.18607	1.0
301.17953	0.9
303.19629	18.4
304.19962	1.5
317.17657	0.8
319.18823	0.3
328.37180	0.3
331.19080	2.5
333.17020	0.8
333.83722	0.3
341.09634	0.3
347.18436	0.5
349.20169	100.0
350.20477	8.7
369.68353	0.3
409.20999	1.0
449.15262	0.3
571.26074	0.5
571.31683	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	571.2883
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
51.03342	0.7
55.62961	0.6
66.59378	0.7
67.27051	0.6
69.54939	5.5
71.85296	0.7
78.95772	69.2
79.21844	0.6
96.96252	1.3
96.96833	15.6
152.99481	66.8
153.99782	0.9
189.66745	0.7
223.00108	2.0
241.01128	33.7
242.01627	1.2
253.93448	0.7
255.23251	81.3
256.23560	5.8
315.04843	9.5
322.01346	0.8
391.22498	6.2
398.77597	0.6
439.27408	0.7
571.28833	100.0
572.29163	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	571.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32153	1.2
52.32399	1.2
58.77805	1.1
59.01251	38.6
61.98701	2.8
70.56399	4.5
71.01238	1.9
78.95764	1.5
83.04897	3.9
85.02827	1.8
87.00725	1.3
93.03349	1.5
95.04995	1.2
96.95890	3.3
129.82248	1.2
130.25937	1.2
131.06697	1.2
135.04440	1.4
163.11182	3.2
165.12698	2.0
171.10173	6.7
173.04472	2.6
176.01054	18.7
190.99823	1.9
191.03421	16.5
191.05490	10.6
191.10690	1.9
202.33673	1.2
209.11761	100.0
210.12112	4.9
221.60294	1.3
227.12828	11.5
250.84335	1.2
308.47125	1.3
394.14316	1.5
402.24854	1.4
539.06183	3.2
571.08929	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	572.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.1
61.98698	100.0
71.01269	0.3
71.58420	0.4
78.95772	0.4
85.94427	0.3
93.03365	0.4
96.95910	0.4
111.00787	0.3
111.52055	0.3
115.63091	0.2
135.04448	0.4
141.20299	0.2
147.45108	0.3
152.35689	0.3
152.99545	0.3
157.36272	0.3
171.10284	0.4
179.80795	0.3
191.05528	1.4
205.55891	0.3
251.36459	0.3
292.52170	0.3
309.20111	0.3
572.09296	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	573.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.5
58.00454	2.4
59.01247	52.3
65.42130	0.9
67.01754	17.3
68.29361	0.8
68.99683	17.7
69.03326	24.6
70.02794	0.9
71.01249	29.7
71.04876	1.0
72.00739	1.0
72.99174	2.6
73.02815	2.8
74.02316	1.2
80.00705	0.8
80.96386	1.8
83.01239	1.5
85.02811	8.5
85.78056	0.8
87.00715	1.3
89.02316	24.1
92.04924	18.2
93.03312	2.9
94.02853	15.5
95.01250	2.6
95.04893	6.0
96.95857	1.0
97.02820	2.4
98.20544	1.9
99.04395	1.9
101.02315	33.3
107.04874	0.9
112.01501	1.2
113.02330	9.3
116.04914	10.5
118.06484	1.1
119.03370	9.7
119.04845	1.3
120.04388	1.1
121.02841	1.7
121.06483	0.9
122.02357	62.1
123.02698	1.4
123.04414	0.9
124.03931	9.3
124.96357	0.8
127.03898	37.1
128.04265	0.8
131.03401	1.0
135.03084	0.9
135.04391	1.9
140.74454	0.8
142.06512	13.1
143.03357	1.3
144.04433	2.6
146.05939	1.2
147.04420	3.3
148.03926	1.4
149.04396	1.3
150.03014	0.9
150.05489	1.8
151.03899	2.3
152.07910	0.9
153.05501	1.5
156.08105	4.9
157.07553	1.2
161.08057	1.4
165.05487	0.8
166.06441	2.3
167.06047	10.7
168.06467	0.8
168.08102	1.4
169.07619	100.0
170.06056	1.8
170.07907	4.2
172.03964	1.1
173.04480	1.3
174.05501	2.1
179.05539	1.5
179.07108	1.1
180.06644	7.4
181.07608	4.0
183.09190	13.9
184.09511	1.3
185.10739	11.5
188.07065	1.3
191.05484	4.9
192.08197	1.6
193.07480	1.5
195.09186	1.7
209.07175	1.2
213.06624	9.8
219.09178	2.9
220.07713	1.5
221.07071	1.4
221.10751	1.1
222.07841	1.8
224.07001	0.9
233.10829	1.0
235.08667	3.2
237.10313	4.8
241.96877	0.8
245.10931	1.1
247.08691	7.6
247.12321	3.4
248.09489	2.9
249.10320	8.6
261.10187	1.7
263.08456	1.1
263.11804	2.6
265.09790	24.5
265.12915	1.2
265.13821	1.1
271.12408	1.8
272.10672	1.5
273.10275	1.1
275.12024	4.5
279.11374	11.8
281.09482	1.0
281.12994	2.2
289.10031	2.1
289.13501	5.0
291.11420	1.4
299.11884	7.6
309.08807	9.5
315.11459	1.8
317.12912	72.7
318.13266	6.5
323.10083	1.1
328.01904	0.8
331.14493	18.3
332.14999	1.2
335.13907	2.4
349.12277	5.1
349.15543	95.5
350.15866	9.7
351.13348	3.0
361.11969	5.8
379.12775	1.7
379.44275	0.8
393.14539	36.5
394.14697	3.7
411.16074	1.9
541.17975	4.2
573.11871	1.4
573.20905	25.4
574.21069	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	573.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27756	0.8
55.01747	0.9
57.03302	1.2
58.00459	2.2
59.01245	40.0
66.54839	0.7
67.01760	4.7
68.99677	3.1
69.03310	3.7
71.01248	22.8
71.39121	1.5
72.00771	9.7
72.99178	1.1
74.02345	2.5
80.96401	1.3
85.02827	4.3
87.00716	1.3
89.02308	19.4
92.04931	8.0
93.03316	1.0
94.02831	0.9
95.01272	2.2
95.04903	2.0
95.76638	0.9
100.03909	12.8
101.02319	12.3
103.78465	0.8
113.02326	6.3
116.04943	24.1
119.03409	5.5
119.04924	1.6
121.02816	1.2
122.02355	7.1
124.03952	1.8
127.03896	8.4
130.06549	1.4
131.03377	0.9
135.04408	1.1
142.06514	31.6
144.08112	0.9
147.04391	2.3
148.03920	7.4
156.06804	2.7
156.08084	7.2
157.07591	1.3
158.09637	1.9
160.03893	1.6
161.04718	1.0
166.06512	2.6
167.06053	15.9
168.06712	1.6
168.08075	9.5
169.07603	27.8
170.07983	1.1
174.05510	1.9
179.05530	1.2
179.07080	1.2
180.06841	1.1
181.07449	4.6
182.08266	0.9
183.09203	7.2
185.10759	21.3
186.11040	1.0
191.05545	1.1
194.06023	1.0
195.09181	1.7
197.06976	0.8
206.04503	1.5
213.06596	1.8
220.07616	0.9
229.09770	26.3
230.09982	0.9
235.08627	1.4
237.10231	1.4
247.08800	1.3
253.09636	1.3
257.82452	0.9
265.09741	7.8
271.12286	0.9
272.07089	1.1
272.10464	1.2
277.09805	0.9
279.11282	2.1
287.11966	0.9
289.13470	1.3
299.11865	3.0
309.08682	3.6
315.11349	1.4
317.12927	24.7
318.13193	1.7
331.14468	10.2
349.15536	4.1
361.11917	28.9
362.12357	2.6
370.86731	0.9
375.13388	2.9
393.14520	100.0
394.14819	10.0
495.06940	0.9
541.16998	0.9
573.19794	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	573.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.7
58.00462	4.9
59.01250	100.0
61.98706	24.4
62.06919	1.8
63.08609	1.7
67.01765	2.5
69.03313	3.0
71.01252	68.1
71.01650	3.5
71.58809	3.3
72.99171	6.2
73.02818	11.4
80.96366	2.5
83.01279	4.3
85.02821	14.4
85.99987	2.2
87.00742	11.2
89.02310	87.2
89.64505	1.8
93.03349	7.3
95.01256	3.9
96.95895	5.1
99.00764	3.4
101.02323	50.0
101.02991	2.8
111.00663	2.2
111.04443	2.2
113.02300	15.4
119.03371	11.0
121.02874	3.1
125.02368	3.1
131.03389	45.7
139.97644	2.1
149.04454	84.9
161.04468	5.9
173.04469	5.2
179.05482	3.8
191.05536	43.2
192.05876	2.6
192.12508	2.0
200.04787	2.2
209.11838	2.5
216.05467	2.1
228.93517	1.9
266.28284	2.0
291.19644	2.6
352.19849	2.0
381.22708	4.9
513.26941	47.4
514.27399	7.2
573.18457	2.2
573.28510	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	573.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45319	0.8
59.01245	14.1
69.96415	2.2
69.96824	2.3
71.01239	3.1
78.95790	4.4
85.02827	0.9
86.33376	1.0
86.55861	0.9
87.80646	0.8
89.02321	2.7
101.02312	1.8
113.02294	1.4
152.99496	2.0
161.04454	1.6
169.66553	0.8
235.08229	1.6
241.01100	1.4
253.09212	16.6
255.23190	1.8
256.23627	1.2
277.21701	100.0
278.21985	8.7
390.75909	1.0
573.29187	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	575.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.2
57.03299	2.1
59.01242	24.7
59.98357	2.5
62.41801	1.7
65.03822	4.0
67.01755	8.7
68.99683	19.4
69.03321	41.4
70.83328	5.1
71.01248	31.5
72.99177	4.3
73.02816	3.2
75.00727	4.2
75.08834	1.7
78.49397	1.7
79.01782	2.3
79.95594	7.6
80.96384	28.5
81.03323	18.2
83.01247	5.5
83.04861	2.7
85.02821	12.8
87.00742	35.0
89.02314	18.2
90.74717	1.5
93.03325	42.2
94.97948	7.4
95.01259	20.3
95.04901	4.9
96.95888	2.1
97.02811	28.4
99.00744	9.5
99.04378	3.7
101.01685	3.2
101.02319	48.2
106.97955	2.4
107.01255	2.9
107.04889	6.0
108.02041	4.3
109.02839	31.9
111.00745	6.8
111.04413	8.2
113.02321	16.1
119.03406	9.6
119.04842	2.7
121.02831	14.7
122.97547	2.2
123.00750	5.8
123.04404	31.8
124.04786	2.0
125.02332	100.0
125.05963	8.4
126.02636	3.1
127.03887	9.4
133.02795	2.5
135.04395	18.5
137.02336	30.7
138.02710	2.0
139.03917	2.6
141.01830	5.5
143.03381	10.0
147.04398	3.6
148.99059	3.0
149.02315	7.0
149.05965	3.7
151.00240	13.1
151.03899	14.0
152.00905	1.5
152.98489	2.9
153.01851	19.9
153.05461	2.5
155.03401	65.2
156.03711	1.9
157.05043	2.7
157.06447	2.2
159.04341	2.4
161.02356	9.3
161.04437	3.5
161.05956	2.8
163.03925	10.2
164.98549	2.7
165.05495	4.9
169.01324	16.2
169.04921	1.6
170.02072	3.3
171.02853	6.4
171.10225	2.3
173.04395	4.8
177.05466	3.5
179.03372	16.7
179.05472	3.5
181.04909	3.6
187.02365	7.3
189.01814	5.1
191.03392	5.4
191.05492	12.8
193.04956	4.5
195.06471	2.7
211.06001	5.9
217.05040	3.5
221.04384	4.7
223.06036	2.8
225.00618	11.1
227.07138	1.7
228.94833	1.9
235.05963	6.4
263.09213	7.5
273.07755	8.8
279.05142	14.4
279.08163	3.0
281.06537	3.4
291.08652	5.5
305.10242	2.8
307.08102	4.7
311.07654	6.6
317.06412	2.1
335.07599	7.7
336.31091	1.9
349.09222	8.5
363.07169	2.1
367.10385	13.2
371.09760	2.7
384.10651	1.7
395.09592	5.8
450.01398	1.9
455.15176	2.1
471.15417	43.0
472.15433	2.0
480.70490	1.9
499.14972	2.2
515.28424	6.8
557.18555	2.8
575.15442	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	575.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.8
57.03329	12.7
59.01253	22.7
71.00883	2.9
71.01250	34.5
71.58247	3.0
71.58611	1.6
73.02820	11.9
75.00726	2.3
78.95770	2.3
79.95619	2.6
80.96390	7.7
83.01263	5.6
85.02822	17.2
86.86448	1.5
87.00728	4.2
89.02331	9.3
92.07583	1.5
93.03324	2.3
95.01246	4.6
96.95866	3.7
97.02808	1.9
99.00745	5.8
99.04416	7.9
101.01684	2.5
101.02319	32.4
103.74644	1.3
111.00732	1.5
113.02325	17.9
119.03375	2.8
125.02332	11.3
127.03903	1.9
143.03426	4.5
159.02859	2.4
161.04477	15.4
173.04471	5.3
180.19983	1.5
185.81725	1.5
191.05489	7.0
204.03192	1.5
225.00696	3.0
232.26207	1.4
269.10367	14.4
305.67068	1.7
352.55600	1.7
413.14465	3.7
431.15552	100.0
432.15747	4.6
448.07019	2.0
515.28455	9.8
517.12469	2.5
543.17334	6.2
575.19781	13.0
576.20758	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	575.2111
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
57.03304	0.9
59.01245	3.9
66.05168	0.8
67.48415	0.8
69.03304	0.9
69.94610	1.6
69.95028	2.4
71.01251	3.8
72.99197	0.9
78.95772	40.5
79.95603	2.0
80.02534	1.6
80.96386	2.7
81.03329	2.0
83.01221	0.8
83.04898	6.1
84.02026	1.8
85.02802	2.7
87.00756	1.7
89.02304	1.8
93.03291	1.1
96.95873	2.3
96.96838	7.2
97.02888	0.8
99.04383	1.5
101.02332	2.5
109.06518	0.9
113.02332	2.4
117.59272	0.7
125.02335	1.2
125.05962	1.0
148.99084	0.9
150.97900	1.0
152.99486	54.2
161.04401	1.2
163.11169	4.7
165.03862	0.7
165.12727	4.1
165.94682	0.8
167.33611	0.8
185.00787	1.0
191.05487	4.6
191.10753	1.3
209.11761	100.0
210.12042	4.8
223.00050	5.3
227.12830	9.4
241.01143	21.8
259.02316	1.6
288.97556	1.0
315.04813	5.5
333.05872	0.9
431.15833	2.1
543.17902	4.7
547.19373	1.1
557.19080	0.9
575.21057	77.4
576.21332	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	575.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.6
57.03323	16.0
57.61599	1.4
58.00459	4.7
59.01247	100.0
60.01588	1.6
67.01760	2.2
69.03320	17.9
70.72906	2.6
70.73267	3.6
71.01248	71.7
72.40467	1.3
72.99168	8.6
73.02817	26.6
75.00757	2.3
76.13164	1.4
81.03320	4.7
83.01255	8.7
83.04849	1.4
85.02820	33.0
87.00732	11.0
87.04393	2.2
89.02314	37.5
93.03346	11.5
95.01295	3.6
96.95883	6.3
97.02825	10.9
97.06487	2.0
99.00736	4.3
99.04408	2.7
101.02316	58.3
103.03885	35.1
109.02832	2.4
109.06505	2.3
111.04381	3.2
113.02321	11.6
115.03906	1.6
119.03376	19.5
119.04826	1.7
125.01431	2.9
125.02336	42.6
127.00260	2.0
127.03927	4.8
131.03380	3.7
133.02864	1.7
135.04320	2.4
137.09601	4.5
141.01866	1.7
143.03380	9.0
145.04968	7.7
161.04445	3.6
163.06030	43.5
173.04475	6.8
185.00807	5.4
187.07599	1.7
191.05525	47.4
192.05859	3.7
192.11494	5.8
205.07109	6.6
207.13806	25.3
240.04253	1.7
247.08195	11.6
307.10324	26.7
371.57700	1.7
389.21689	1.8
401.16171	2.1
413.21951	2.5
515.25281	2.7
575.27350	18.1
576.27435	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	575.2707
Annotation	Atractyloside I
Peak:m/z	Relative Intensity
55.01737	3.2
57.03308	3.0
59.01248	24.5
60.11440	1.3
61.98704	2.6
65.42677	1.1
67.01739	1.4
68.99686	1.8
69.03323	34.7
69.39358	1.1
69.41565	10.8
71.01248	26.0
71.67110	1.2
72.99186	3.4
73.02816	7.0
75.00715	1.8
83.01240	3.9
83.58406	1.2
85.02826	17.4
87.00716	3.7
89.02319	11.3
93.03330	8.7
95.01237	3.7
96.95876	4.8
97.02828	8.7
98.20478	3.1
99.00751	11.6
99.04352	1.7
101.02329	17.9
109.02838	1.8
109.84493	1.2
111.04399	2.2
113.02316	9.8
118.57643	1.4
119.03407	3.2
119.04913	2.6
121.02843	2.6
127.03922	1.7
129.01814	1.6
131.03323	1.5
135.04385	1.8
140.48526	1.3
141.01817	2.0
149.04474	1.5
149.94075	1.1
161.04352	3.0
170.39070	1.3
170.90839	1.3
171.10161	1.8
173.04457	4.5
179.05510	2.0
185.00847	25.9
191.05533	34.4
192.05875	2.2
233.15329	1.6
235.16975	7.9
249.05424	1.6
251.16367	3.3
253.08667	1.8
353.10229	1.8
389.21829	4.1
391.88211	1.3
395.20551	2.1
413.21786	100.0
414.22070	10.7
432.65009	1.5
439.14142	2.1
449.14597	1.7
457.15027	3.8
457.21561	1.4
575.25525	4.1
603.66742	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	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03328	0.8
58.00459	3.3
59.01248	72.4
60.01585	0.7
60.99188	0.6
67.01766	0.6
69.03329	1.3
69.34199	0.5
71.00845	1.2
71.01248	25.4
71.12716	0.6
71.13034	0.9
72.99187	4.5
73.02814	21.3
75.00742	0.7
78.98496	0.5
79.95601	1.3
80.96392	4.4
81.03322	0.9
83.01273	1.4
85.02812	9.8
85.99969	0.9
87.00742	6.0
87.04399	2.1
89.02313	23.2
93.03341	1.7
94.97952	1.1
96.95902	2.4
97.02841	1.0
99.00760	1.1
99.04349	0.6
101.02316	51.3
102.02681	0.8
103.03886	20.4
113.02311	3.1
115.03901	4.0
117.01769	0.5
119.03384	11.2
119.04914	0.5
125.02341	2.2
127.03907	2.1
131.03384	7.2
133.04985	0.7
137.02338	0.6
139.96811	0.4
143.03380	9.6
145.04958	6.9
152.99580	0.7
153.05467	0.5
161.04469	0.5
163.06023	100.0
163.88069	0.4
164.06300	2.7
164.98550	1.0
165.05461	0.5
173.04527	1.0
174.01617	0.6
179.05554	0.8
180.59163	0.5
191.05533	6.4
195.06619	0.7
205.07098	16.5
206.07475	0.8
225.00740	1.5
235.08170	0.9
265.09296	7.7
295.10211	0.6
302.73700	0.5
307.10278	1.1
325.11362	1.9
471.15134	1.2
557.19171	0.7
575.19922	4.2
575.51447	0.5
576.20258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
57.03330	1.0
58.00457	3.7
58.98993	0.5
59.01246	89.4
69.03330	1.7
70.17105	1.9
71.01247	29.3
72.99174	4.9
73.02814	32.4
79.55450	0.6
79.95621	1.1
80.96398	3.7
81.03307	0.8
83.01253	1.3
85.02822	14.6
85.99943	1.6
87.00741	10.7
87.04388	4.0
89.02309	24.7
90.02615	0.7
93.03305	0.9
94.97953	0.7
96.95855	1.5
97.02796	1.4
99.00781	0.5
101.02316	61.6
103.03883	25.8
104.04234	0.6
113.02325	1.7
115.03893	6.1
119.03383	14.2
120.03679	0.6
121.06548	0.6
125.02306	2.3
127.03911	2.1
131.03391	6.8
137.09604	2.3
143.03397	10.7
145.04974	8.2
146.88235	0.7
159.02939	0.7
163.06023	100.0
164.06319	2.9
164.98598	0.7
173.04538	0.6
182.53717	0.6
191.05440	2.8
205.07100	18.8
225.00734	1.0
235.08167	1.8
265.09308	6.4
278.56818	0.6
295.10501	0.9
314.29990	0.7
353.74142	0.6
471.15253	4.0
575.20306	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	575.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.9
57.03299	4.5
58.00450	3.6
59.01248	53.1
67.01723	2.0
69.03317	6.1
69.31535	2.7
69.31932	12.5
71.01247	57.5
72.99165	5.7
73.02808	18.4
75.00746	3.3
78.95745	1.6
81.03304	2.0
83.01251	9.4
83.32941	1.3
85.02328	2.3
85.02815	25.1
87.00745	10.8
87.04411	1.5
89.02312	25.1
93.03320	10.5
95.01241	3.9
95.20058	1.4
96.95853	5.1
97.02825	4.2
99.00737	8.1
99.04379	3.1
101.01697	2.2
101.02317	38.0
103.03863	3.4
105.40327	1.4
109.02782	2.2
111.00772	2.2
111.04423	2.1
113.01758	1.3
113.02343	16.0
119.03400	9.1
119.04919	2.4
125.02315	4.1
127.03833	2.1
128.03377	1.7
131.03354	3.1
135.02864	2.4
135.04402	3.2
143.03456	3.5
154.83836	1.4
155.03358	1.7
159.02890	3.4
161.04471	11.0
163.06020	7.0
169.01750	1.4
173.04512	6.9
177.01816	1.7
179.03328	1.8
179.05441	1.7
185.00752	1.6
191.05531	33.3
192.05727	1.6
205.07115	1.9
221.06566	1.7
235.16916	4.5
251.16402	4.9
253.08694	1.8
286.20886	1.7
298.94415	1.8
369.19077	11.3
413.21619	3.9
432.87283	1.5
439.14297	1.6
449.14035	1.8
457.14618	2.9
494.18573	1.7
515.24951	37.8
516.25244	4.2
575.26953	100.0
576.26929	10.2
594.97864	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	0.7
59.01249	14.4
61.98705	0.6
70.37029	0.5
71.01246	4.3
73.02792	1.0
76.85016	0.6
78.95766	1.0
80.24933	0.5
80.96378	1.1
85.02821	0.9
89.02301	2.9
93.03342	0.9
96.95878	1.1
98.19707	0.9
101.02327	2.8
105.21294	0.6
106.38322	0.5
112.98163	0.6
113.02307	1.8
119.03368	0.8
138.18053	0.6
161.04460	1.1
176.63095	0.6
191.05504	1.9
209.11751	0.8
235.08224	1.2
253.09221	15.8
254.09618	0.9
279.23273	100.0
280.23630	8.6
291.19763	0.6
293.21289	0.6
341.53882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.7
61.98698	100.0
69.32719	2.4
69.33141	0.8
71.01254	0.9
75.70938	0.3
78.95771	3.1
79.03471	0.3
79.95636	0.4
80.96377	0.6
90.83360	0.4
98.20528	0.7
171.00504	0.5
191.05612	1.0
196.76735	0.4
209.11835	0.3
253.09500	0.4
255.09732	0.4
277.21680	2.5
278.21976	3.6
279.22360	2.6
280.22696	1.1
354.31055	0.4
576.33704	1.3
577.27106	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	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.2
60.01596	0.4
61.01664	0.3
61.70331	0.2
61.98699	100.0
62.98425	0.2
70.20040	0.8
71.01254	0.4
78.95791	0.4
80.96394	1.3
86.95902	0.2
89.02320	0.4
94.97962	0.3
96.95858	0.3
98.93053	0.2
101.02305	0.5
101.97617	0.2
110.41779	0.2
135.86279	0.2
164.98576	0.2
191.05644	0.5
253.09250	0.6
254.09641	0.4
255.09798	0.6
256.10153	0.3
277.21695	3.1
278.22031	6.8
279.22351	3.7
280.22635	2.1
497.09564	0.2
577.26996	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	576.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	21.1
64.24114	0.4
66.12100	0.5
69.41310	2.6
69.41734	1.5
71.01248	0.7
78.95770	8.2
80.96387	1.2
84.70726	0.4
93.33112	0.5
94.98026	0.6
114.91868	0.4
127.03967	0.5
142.26224	0.4
152.99484	1.5
166.05000	0.5
168.04192	1.2
175.69336	0.4
178.23196	0.4
191.05615	0.8
199.28644	0.5
209.11784	0.5
224.06870	1.1
226.16608	0.4
231.06779	0.4
233.07260	0.5
233.22688	0.5
242.07906	3.0
275.19897	0.5
277.21701	100.0
278.22058	7.2
502.29364	28.8
503.29718	3.6
577.26733	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64717	0.4
59.01231	0.9
63.96103	1.7
66.94237	0.4
69.03316	0.6
70.65126	0.8
70.65459	0.6
71.01253	7.5
73.02812	2.2
78.95789	0.7
78.98464	5.9
79.95242	0.2
79.95601	12.0
80.96387	80.8
81.03330	1.1
82.56372	0.4
85.02806	2.8
87.00735	3.7
94.97958	16.3
96.95867	1.7
97.02813	2.0
99.00757	1.0
101.02316	2.9
106.97961	3.8
122.96786	0.4
122.97481	3.6
125.02332	3.2
127.03884	1.2
134.97459	7.0
136.99033	1.6
146.97543	0.5
148.99046	6.0
152.98540	6.2
164.98537	12.0
167.00150	0.9
188.98503	0.5
206.99571	2.6
225.00676	16.5
255.78636	0.4
277.21722	1.7
293.21228	0.4
297.10669	0.4
299.04376	3.9
577.26819	100.0
578.27148	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	577.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00143	0.4
57.03304	0.5
59.01242	1.4
59.04493	0.4
63.96100	1.2
69.03310	0.8
70.57515	1.4
71.01252	8.9
73.02801	1.7
78.98457	6.6
79.95598	11.0
79.97415	0.4
80.96383	78.4
81.03323	1.0
81.96330	0.4
83.01237	0.4
85.02819	3.1
87.00749	3.0
94.97947	16.7
95.01222	0.4
96.95879	1.4
97.02798	1.2
99.00752	0.5
101.02311	2.3
106.97948	3.6
116.53204	0.5
117.83138	0.4
122.97453	5.7
125.02326	3.0
127.03879	0.8
134.97482	5.9
136.99013	1.7
144.84718	0.4
147.11906	0.4
148.99049	6.7
152.98526	8.5
164.98535	12.9
176.98611	0.4
182.99530	2.4
188.98492	0.5
206.99611	3.4
210.63419	0.5
225.00674	16.5
231.24413	0.5
243.01723	1.4
277.21701	2.0
295.36075	0.5
299.04321	2.6
577.26813	100.0
578.27142	13.5
578.36322	0.8
594.26379	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	577.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	13.4
71.01244	3.2
71.59062	0.6
71.59450	0.8
73.02806	0.8
89.02306	2.7
96.42863	0.5
97.45625	0.6
97.46271	0.6
100.31358	0.5
101.02315	3.1
113.02316	1.3
119.03357	0.9
142.34746	0.5
145.24934	0.6
161.04442	1.3
191.05612	0.6
207.10214	0.8
225.11241	0.8
235.08174	2.0
253.09245	12.5
254.09503	0.9
281.24829	100.0
282.25189	8.2
295.22739	1.5
419.80240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3741
Annotation	FD 891
Peak:m/z	Relative Intensity
57.03308	2.8
63.87400	1.7
69.03326	8.4
71.04878	3.8
71.59154	2.2
81.00708	1.7
81.01306	1.8
86.72941	2.1
91.51279	2.1
123.08039	4.4
127.08774	2.1
149.09627	2.2
151.11148	9.4
158.98364	2.0
161.09601	14.7
179.10683	35.2
197.11763	100.0
198.12102	6.5
223.09669	8.7
225.29068	1.7
241.10838	13.6
262.06140	2.1
279.23267	98.8
280.23679	7.6
284.55426	2.0
297.13641	9.6
315.14474	21.0
316.14948	2.0
329.72791	2.1
577.37463	68.8
578.38000	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	578.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78831	0.3
59.01247	15.1
61.98700	0.4
65.98167	0.3
69.33185	2.0
69.33597	0.6
71.01249	0.3
78.95774	6.6
79.95612	0.3
80.96387	0.9
96.36298	0.2
118.20226	0.2
133.93343	0.2
152.99487	1.5
168.04193	1.6
191.05559	0.4
193.22949	0.2
224.06787	0.8
227.50363	0.3
242.07936	2.5
279.23260	100.0
280.23627	7.8
316.63745	0.3
410.23480	0.3
504.30942	28.4
505.31146	3.3
578.26971	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	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88131	0.8
59.01245	23.0
61.98692	3.0
62.44632	0.9
69.25531	9.7
71.01244	3.2
78.95770	22.7
78.98464	3.1
79.95604	5.4
80.59395	0.8
80.96383	31.4
83.04884	0.9
85.02841	1.4
87.00766	1.5
89.82136	0.8
94.97949	7.2
96.95901	1.9
101.02334	1.6
105.78419	0.8
116.92716	1.3
122.97462	2.9
125.02316	1.7
134.97424	2.1
148.99039	2.3
152.98486	2.3
152.99547	2.1
164.98555	3.2
168.04239	2.8
182.99611	1.5
191.05498	1.4
210.12134	1.1
224.06886	9.0
225.00682	8.8
242.07996	1.9
259.26624	0.9
279.23270	100.0
280.23563	7.4
288.81006	1.0
299.04425	1.8
504.30930	66.6
505.31302	7.9
579.28375	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	579.1351
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
59.01241	0.9
63.02282	0.6
65.00191	0.7
66.02963	0.2
66.33275	0.3
68.36880	0.3
70.65707	0.3
78.08717	0.3
83.01238	0.3
85.02803	0.3
89.02379	0.3
91.39345	0.3
93.03320	1.2
96.95895	0.5
106.38253	0.3
107.01277	2.0
109.02817	0.4
132.02083	1.0
135.00768	1.0
151.00252	2.5
152.01129	0.3
153.01860	0.4
157.06445	0.3
159.04413	0.8
163.00287	1.0
164.01056	0.5
167.04933	0.4
169.01395	0.6
169.06479	0.5
171.04463	0.4
178.99779	1.4
182.03790	0.3
183.04417	1.5
185.02333	0.4
185.06010	1.1
187.03941	1.4
189.05481	0.6
191.05591	1.5
195.04494	0.4
197.06013	0.4
199.03957	0.7
201.05489	0.5
211.03905	2.1
213.05525	1.0
226.02509	0.3
227.03438	38.4
228.03867	2.4
229.05008	5.0
239.03317	1.5
240.04169	0.4
241.04936	0.8
255.02954	72.5
256.03470	8.0
257.04550	4.7
258.05133	0.3
262.90756	0.3
267.02725	0.4
283.02481	1.4
284.03238	100.0
285.03958	40.3
286.04343	2.1
339.05219	0.4
429.07846	1.7
447.09271	0.4
465.73877	0.3
519.24005	0.4
579.13513	53.1
580.13800	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	579.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	6.3
57.50583	1.3
59.01244	14.2
67.01758	16.0
68.99669	7.4
69.03315	6.5
70.03568	4.5
71.01251	12.9
72.99163	7.8
73.02796	1.9
79.95589	2.2
80.11102	1.4
81.03328	4.3
82.80223	1.3
83.01262	2.7
83.82797	1.3
85.02821	11.9
87.00733	2.7
88.77152	1.4
89.02316	7.4
93.03339	3.9
95.01260	39.6
96.95882	16.3
97.02811	5.6
99.00739	2.8
101.02316	14.0
111.00712	2.2
113.02325	3.6
116.04648	1.8
119.03366	2.7
121.02837	3.4
123.00775	1.8
123.04394	11.5
127.03899	27.7
129.01837	11.5
131.03424	1.5
141.01831	2.9
149.02338	4.4
149.04413	2.6
155.03395	100.0
156.03749	3.0
159.02907	2.0
171.50156	1.3
173.04434	4.1
175.06015	23.8
185.51779	1.4
191.05521	14.0
210.06648	1.5
235.08086	2.3
238.14203	1.4
305.11447	2.1
315.07309	2.8
347.09750	28.5
348.10172	1.9
385.11401	3.4
579.19275	81.4
580.19592	10.4
604.66797	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	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00987	0.6
59.01236	3.5
69.03332	0.9
69.45299	6.4
71.01261	3.0
73.02802	0.8
73.72762	0.6
83.21548	0.7
85.02827	1.7
89.02316	1.6
91.05428	1.4
93.03355	2.7
95.01256	0.9
99.00771	0.8
101.02350	2.0
107.04893	3.7
109.02847	1.8
111.04368	0.8
113.02348	1.3
119.01307	0.7
119.03419	0.7
119.04951	0.8
121.02849	2.6
123.00800	1.8
123.04406	1.5
128.44766	0.7
133.02870	1.4
134.03615	8.1
135.04424	10.7
136.04755	1.0
137.02342	8.2
139.00298	0.7
139.03979	0.9
144.72855	0.7
149.02328	7.0
149.92303	0.8
150.03128	7.1
151.00261	15.5
151.03958	2.3
152.01111	3.2
152.04739	2.3
153.01791	1.2
154.02626	0.8
159.04422	0.9
161.02409	2.6
162.03186	3.0
163.03905	19.2
164.04660	2.7
164.35812	0.8
165.01909	1.0
165.05527	2.7
166.02618	54.5
167.03418	3.9
173.04585	1.5
175.00296	1.0
175.03931	1.4
176.01086	1.0
176.04744	1.6
177.01822	3.7
179.03467	3.2
179.05591	0.8
179.07057	1.1
180.04170	6.2
181.04977	65.9
182.05365	2.4
184.03667	1.0
189.05562	0.9
190.02711	1.6
190.06274	1.3
191.03477	2.2
191.05597	9.9
191.07112	1.4
192.04179	0.9
192.05920	0.8
193.01424	2.4
194.02066	4.1
194.05872	2.5
195.06554	11.5
196.07025	0.8
205.08722	0.7
207.02921	38.8
208.03645	9.3
209.04497	6.0
209.08110	7.5
220.07199	0.9
223.06067	5.1
357.10025	1.0
359.11469	1.4
370.09244	2.6
371.14847	1.2
373.13022	3.0
387.10797	15.8
388.11340	1.6
399.11188	1.8
402.13309	6.8
417.15765	100.0
418.16104	8.3
457.28659	0.8
534.89716	0.7
553.04645	0.9
579.17065	1.6
579.30048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
56.75970	1.0
57.03310	1.6
58.00457	2.8
59.01248	81.6
60.01567	1.6
60.18451	1.1
68.99667	1.4
69.03321	1.8
69.34204	2.6
69.34605	9.6
71.01247	62.2
72.99187	6.1
73.02819	7.8
75.00732	1.1
81.03329	1.2
81.14085	1.0
83.01270	3.3
85.02824	11.3
86.02742	1.0
87.00748	7.1
89.02311	100.0
93.03327	3.4
96.95885	10.5
101.02320	51.3
101.03001	2.0
102.02620	1.4
108.02023	1.8
113.02317	12.5
116.46806	1.2
119.03368	5.8
123.04381	1.3
123.07979	2.1
123.36816	1.0
125.02323	2.2
129.01714	1.2
131.02448	2.1
131.03394	33.1
137.02399	1.1
138.01854	13.1
139.02188	6.1
143.03360	2.8
149.04449	90.2
150.03088	1.4
150.04761	2.8
155.03404	3.9
161.04401	3.6
165.05452	2.6
181.04921	1.2
189.12689	1.7
191.05542	26.0
191.07103	0.9
192.05902	1.4
195.06519	1.1
207.13933	1.4
211.07568	2.5
251.07649	1.7
255.06520	2.0
270.35406	1.1
281.08646	1.5
293.08743	2.1
311.09799	3.5
312.10226	2.1
327.12274	3.1
350.04077	1.1
383.19342	1.0
420.56894	1.3
519.24359	6.3
579.19348	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	579.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31799	2.8
53.22019	2.5
59.01241	20.3
60.99165	5.5
61.98707	11.5
67.01759	16.2
69.03325	3.8
71.01247	12.5
71.03314	2.8
71.14035	5.0
71.14362	4.1
78.95792	5.8
83.04922	6.6
85.02812	16.1
87.00735	18.7
93.03329	94.5
94.03674	5.5
96.95892	11.2
101.02307	5.2
105.03352	3.4
109.02850	2.6
111.04368	16.0
120.04907	2.6
121.02918	3.8
124.01534	4.2
133.02890	15.2
134.03624	21.1
135.04427	25.4
137.02348	13.2
155.03403	6.8
160.01553	5.0
161.02405	3.9
171.10240	3.3
173.03093	2.2
173.04462	66.3
174.04868	4.8
177.01869	12.1
178.02605	23.8
179.03375	10.3
185.11995	2.8
191.05527	100.0
192.05901	6.9
209.11713	6.4
215.07147	3.6
231.10220	4.9
275.09296	12.1
351.07333	6.9
449.14447	29.4
450.14703	3.9
579.22107	6.9
579.32471	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	579.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22123	0.3
55.01753	3.1
55.80695	0.3
57.03320	3.2
58.00465	2.7
59.01247	65.1
60.01584	0.8
60.99181	0.3
67.01762	0.7
69.03325	0.5
69.58077	1.0
69.58501	1.3
71.01249	60.2
71.89491	0.3
72.01579	0.7
72.20335	0.3
72.99179	4.0
73.02817	10.1
75.00754	0.9
83.01250	7.1
83.01705	0.5
85.02819	21.0
87.00758	3.5
87.04398	0.8
89.02311	41.5
90.02642	0.4
93.03323	3.1
95.01263	4.1
96.95892	1.1
97.02835	1.2
98.20541	0.6
99.00745	4.1
99.04456	0.3
100.74463	0.3
101.02319	38.7
102.02642	0.5
109.02863	0.4
111.00753	1.7
111.04402	0.8
113.02325	22.5
113.43719	0.3
114.02679	0.5
115.03909	0.4
119.03382	17.4
120.03768	0.3
125.02321	0.9
129.01836	1.9
131.03392	2.0
135.04393	0.5
136.01587	0.9
137.02356	0.5
141.01823	0.5
143.03391	4.5
149.04500	1.6
151.00259	0.5
151.03993	0.7
152.32774	0.3
159.02878	2.1
161.04459	11.7
161.05823	0.6
166.02652	0.8
173.04471	2.1
175.04028	0.3
177.01791	0.3
177.03944	0.6
179.05516	8.8
181.04976	1.4
191.05537	11.6
192.05847	1.0
205.03392	0.4
211.03879	0.3
255.19681	1.2
308.16449	0.3
343.21237	0.4
357.13385	1.2
369.13290	0.5
377.33749	0.3
387.10562	0.5
399.23840	0.4
402.13254	0.3
417.15552	2.7
417.24896	29.0
418.25168	2.4
482.13831	0.4
561.19708	0.5
579.30151	100.0
580.30530	12.7
580.39917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.0
57.03315	2.2
58.00464	3.2
58.58260	0.5
59.01248	61.9
60.01596	0.7
62.05452	0.6
67.01764	1.1
69.03335	0.9
71.01249	50.4
72.99173	2.6
73.02815	7.0
75.00732	1.2
81.40995	0.7
83.01253	4.9
85.02821	17.4
87.00752	3.4
89.02312	41.5
93.03335	2.9
95.01247	4.6
96.95888	0.8
97.02804	1.2
99.00741	4.1
101.02316	32.7
102.02643	0.7
107.18330	0.6
111.00793	0.6
113.02321	19.4
118.40094	0.6
119.03379	19.5
120.05395	0.6
121.02830	1.6
125.02356	1.3
129.01837	2.4
131.03369	1.8
137.02266	0.6
142.58658	0.6
143.03404	4.4
149.04460	2.0
159.02879	2.0
161.04442	11.0
162.04793	0.7
173.04446	2.7
179.05528	8.9
191.03934	0.4
191.05528	11.7
192.05888	1.0
209.04350	1.0
255.19476	0.6
387.14423	0.9
399.23618	1.0
417.24921	31.1
418.25192	3.0
561.19916	1.0
579.30127	100.0
580.30475	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	579.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.8
57.03319	2.7
58.00466	4.6
59.01251	91.8
67.01748	1.0
68.99670	0.9
69.26517	7.2
71.01254	60.3
72.01611	0.8
72.99188	5.2
73.02827	4.4
83.01255	5.6
84.11674	0.7
85.02821	15.2
87.00739	4.4
89.02317	64.7
90.02683	1.1
92.60143	0.8
93.03340	4.5
95.01275	3.0
96.95926	1.1
99.00788	1.5
101.02324	44.7
109.02885	0.9
109.08377	0.6
111.00744	1.2
113.02335	24.2
118.89279	0.7
119.03395	31.6
125.02344	1.0
131.03401	3.1
137.02271	0.7
143.03403	5.0
149.04469	2.0
161.04475	5.7
173.04509	4.1
179.05551	14.6
191.05551	16.8
192.05875	1.5
211.09697	1.3
330.55850	0.7
399.23822	1.2
417.24921	17.8
418.25336	1.7
497.34061	0.8
561.19739	1.2
578.37927	0.8
579.30194	100.0
580.30469	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	579.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.5
57.03308	2.7
58.00464	5.6
59.01247	100.0
59.76354	0.5
60.01569	1.0
62.35732	0.5
67.01763	1.1
69.03329	0.9
69.36724	2.1
69.37148	2.7
71.01247	68.0
72.01559	0.7
72.99174	6.0
73.02814	5.7
75.00748	0.8
83.01254	4.6
83.04889	0.7
85.02821	18.9
87.00742	6.2
89.02310	70.2
89.25004	0.5
90.02654	1.0
93.03323	7.6
95.01252	5.7
96.95882	0.9
97.02829	0.8
98.20551	1.3
99.00749	3.0
101.02316	42.8
103.24985	0.5
111.00812	1.4
111.04374	1.4
113.02320	25.5
114.02681	0.8
119.03378	33.1
120.03751	1.1
125.02322	1.0
127.03881	0.7
131.03404	3.5
135.04370	1.1
137.02325	0.9
143.03407	6.3
149.04420	3.3
155.03307	0.8
159.02863	0.8
161.04456	8.0
173.04478	4.9
179.05511	15.2
191.05528	26.7
192.05847	1.9
193.06136	0.6
198.58966	0.6
202.73779	0.6
227.07187	0.6
241.49550	0.7
245.08214	0.7
260.36551	0.6
299.12857	0.6
342.36710	0.6
369.13348	0.8
387.14114	0.9
399.23865	0.7
405.15430	1.7
417.16119	1.0
417.24918	16.8
418.25320	1.2
542.91693	0.6
561.19623	1.3
579.30103	92.0
580.22192	0.6
580.30475	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	581.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43595	1.7
59.01247	23.5
68.99684	1.9
69.03307	1.8
69.61447	11.5
71.01249	17.1
72.99162	2.7
73.02818	1.9
83.01272	2.3
85.02802	11.5
87.00738	19.1
89.02316	11.1
93.03316	10.4
96.93961	1.7
96.95898	3.4
99.00773	1.9
101.02312	11.1
113.02313	5.6
119.03393	5.5
121.02843	10.2
122.03646	7.0
123.00764	5.1
123.04390	6.7
124.01553	2.3
127.03868	1.8
134.03616	7.0
135.04388	5.6
137.02332	4.3
138.03082	6.0
139.00264	2.2
139.03912	2.6
143.03337	2.5
147.04533	2.4
149.02342	57.6
150.03140	56.8
151.03937	22.1
151.07547	2.2
152.01048	6.7
153.05479	6.9
163.03934	10.2
164.04704	37.9
165.05479	58.5
167.03282	1.6
169.04872	4.9
173.04451	10.7
174.03091	2.5
175.03926	2.9
177.05486	3.2
178.02628	3.8
179.03474	3.0
179.05525	2.5
179.07036	14.0
180.04230	8.6
181.04991	16.3
189.05492	2.8
190.02631	2.3
190.06313	2.8
191.05530	59.6
191.06830	2.4
192.04198	4.3
192.05904	2.0
193.01379	20.4
193.03096	2.1
193.03401	2.0
193.04955	15.6
195.06529	34.6
202.06337	2.3
205.05002	3.6
205.08701	3.9
206.05644	2.4
207.02989	2.5
207.06613	5.0
208.03705	42.1
208.07191	1.9
221.08125	2.2
222.05368	2.7
223.06049	100.0
224.06413	6.6
233.08105	5.0
248.58739	2.0
265.07202	15.5
301.14438	2.9
327.12332	2.7
327.15897	3.3
345.16919	2.0
349.50922	2.1
358.10248	2.9
359.11322	4.7
364.24503	2.3
371.11215	8.0
373.12833	4.2
389.12485	2.5
389.16290	18.6
390.16675	3.8
404.15100	2.3
419.13144	70.6
420.13718	7.4
501.74741	1.8
563.21338	5.2
581.22552	37.1
582.22308	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	581.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.4
70.97131	1.8
71.01247	4.5
72.99181	0.8
73.17292	0.9
79.42051	0.9
85.02825	3.1
87.00746	13.4
89.02306	2.4
93.03333	4.8
96.57079	1.0
96.95883	2.8
101.02317	2.6
109.02852	2.0
111.00750	1.3
113.02320	2.5
119.03397	0.9
119.04833	1.2
121.02835	10.0
122.03665	4.6
123.04413	7.8
133.02820	1.5
134.03607	1.7
135.04408	4.2
136.01576	1.1
137.02321	3.6
139.03835	1.1
145.02855	1.3
147.04410	1.2
149.02341	48.1
150.03130	43.5
151.03914	35.7
152.01024	9.0
152.04266	1.0
153.05418	1.7
157.55620	1.0
162.03117	1.5
163.01007	1.2
163.03925	11.0
164.04695	47.3
165.01862	1.7
165.05479	69.5
165.12709	0.8
166.02695	1.1
166.05827	2.8
167.03381	2.2
169.04948	3.6
173.04477	3.6
175.03906	6.4
176.04646	1.9
177.05481	2.7
178.47595	0.8
179.03398	0.9
179.07056	11.6
180.04266	8.4
181.04985	25.0
182.05267	1.2
183.06622	1.8
188.04675	1.5
189.05481	3.0
190.02716	1.4
190.06303	9.4
191.03635	1.8
191.05518	17.0
191.07098	5.0
192.04190	1.7
193.01332	13.2
193.04997	5.1
194.05739	2.6
194.73721	0.9
195.06560	20.4
203.07036	1.0
205.05070	1.6
205.08633	9.2
206.05797	4.0
207.02911	2.4
207.06497	4.5
208.03711	56.4
208.07086	7.7
209.04059	1.5
221.08157	3.6
222.05273	4.4
222.08844	1.6
223.06061	100.0
223.13350	3.5
224.06367	3.2
237.07565	2.2
241.14333	2.2
250.04672	1.1
264.06516	1.4
265.07166	12.8
312.10001	2.7
327.12277	4.5
345.16986	1.6
357.13351	1.1
359.11127	1.3
371.11160	4.7
374.13531	1.6
389.16040	51.6
390.16318	5.0
401.12387	1.2
413.12143	1.4
419.13400	86.9
420.13803	11.7
430.86523	0.9
461.14496	4.1
490.51468	1.1
549.21851	1.1
581.18201	21.2
582.19019	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	581.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.7
61.35459	0.7
65.31991	0.6
69.62814	3.9
70.51462	0.7
71.01263	3.3
79.95973	0.6
83.01215	1.2
85.02822	2.4
87.00748	11.8
89.02303	1.9
93.03323	5.3
93.66457	0.6
96.95882	1.9
101.02314	2.7
109.02802	0.9
113.02308	1.3
121.02837	6.5
122.03635	5.1
125.02341	0.7
133.02873	1.0
135.04385	3.3
136.01575	1.1
137.02351	1.7
145.04002	0.9
147.04346	0.7
148.01514	0.8
148.54578	0.6
149.02341	34.8
150.03128	41.4
151.03738	1.3
152.01065	6.5
155.03423	1.0
163.03935	5.0
164.04700	19.3
165.01813	1.9
165.05481	46.0
166.05809	1.6
167.03328	0.7
169.04951	3.0
173.04500	1.6
179.07010	6.5
180.04268	3.4
181.17409	0.6
191.05540	17.2
192.05917	0.9
193.01350	16.1
194.01729	0.8
195.06555	33.9
196.06854	1.7
208.03700	33.6
209.04034	2.5
223.06061	100.0
223.13333	2.1
224.06430	5.0
241.14412	1.3
241.54805	0.7
251.12975	0.6
253.09099	1.0
265.07126	0.8
269.08261	0.7
280.07523	1.2
302.36777	0.6
312.00168	0.7
312.09918	0.9
327.11966	0.8
371.11182	6.4
371.15030	0.9
401.12106	0.7
407.51794	0.6
419.13351	18.5
420.13889	2.3
539.30133	0.8
581.23730	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	583.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73098	0.4
59.01253	0.8
61.42799	0.5
63.96107	1.5
69.03303	0.4
69.53545	3.8
71.01254	7.2
73.02824	1.4
78.98458	5.7
79.95604	10.6
80.96388	67.9
81.03342	0.7
85.02829	2.9
87.00745	2.2
92.37156	0.5
94.97961	15.9
96.95880	1.3
97.02831	1.7
98.19854	0.9
99.00732	0.7
101.02338	2.3
106.98000	2.8
106.98643	0.5
111.74376	0.4
113.02336	0.6
115.02593	0.4
122.97477	3.6
125.02343	2.3
127.03927	0.6
134.97479	4.9
136.99043	1.2
148.99036	6.0
152.98540	5.7
164.98544	13.1
206.99657	2.4
215.45650	0.4
225.00699	16.4
283.26486	2.7
299.04355	3.5
314.80392	0.5
470.42633	0.4
516.30981	0.5
583.31537	100.0
584.31873	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	585.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03126	5.0
57.03320	11.1
59.01247	68.2
61.98693	5.7
68.99670	12.5
69.03324	9.9
69.33501	4.4
69.57839	6.5
69.58150	34.7
71.01250	96.5
71.01647	6.2
72.99179	10.2
73.02814	45.4
73.94846	4.6
74.15629	5.0
75.00755	6.7
76.85737	4.3
81.03414	5.6
83.01244	11.0
85.02824	41.1
87.00736	33.7
87.70724	5.1
89.02315	99.8
93.03344	13.5
94.30762	5.1
95.01264	14.7
95.04864	5.7
96.95894	5.1
97.02814	6.3
97.06478	11.8
99.00735	17.0
101.02322	84.3
101.48245	4.1
108.02027	7.3
111.04306	5.4
113.02326	84.5
119.03382	33.1
121.02870	13.3
122.03603	14.2
123.00713	5.8
123.04388	21.6
123.08023	5.2
125.02337	11.8
125.09609	63.9
131.03380	9.9
135.04408	11.6
137.02322	13.5
143.03391	18.3
147.02876	7.4
149.02345	45.8
149.04523	5.1
150.03123	95.5
151.03882	20.1
153.05380	5.7
155.03401	25.5
159.56894	4.9
161.04445	28.3
164.04665	11.9
165.01756	11.6
165.05479	85.6
179.03319	10.9
179.05540	84.7
180.04173	9.9
181.04834	6.5
187.09660	60.1
191.05501	24.0
193.04965	8.1
195.05365	4.0
195.06567	44.1
197.04494	11.2
211.06013	9.4
225.07678	9.4
227.05499	7.3
227.09178	13.1
239.05487	5.9
297.09811	12.9
315.12473	13.5
317.08878	5.0
335.24838	5.4
357.08466	10.2
357.13486	14.9
387.13037	7.4
389.14536	28.6
456.18835	5.7
459.15125	13.5
506.96487	5.6
537.19952	50.6
585.15698	61.8
585.23352	100.0
586.23761	9.1
598.79364	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	585.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26225	1.8
59.01244	24.8
61.98701	5.5
68.99689	8.6
69.03332	8.1
70.70168	2.0
71.01250	29.7
71.58591	2.4
72.64823	2.0
72.99182	4.9
73.02818	2.9
75.00739	5.9
75.97315	2.0
79.95625	2.8
80.96354	2.3
81.03285	2.1
82.72607	1.8
85.02807	25.0
87.00747	4.4
89.02318	34.8
93.03345	6.0
95.01264	6.0
95.02328	2.5
96.95898	8.6
98.31700	2.2
99.00747	6.0
99.01849	2.7
101.02319	32.8
109.02853	2.3
110.02408	2.2
111.00727	2.0
113.02325	100.0
113.03499	4.7
114.02666	3.0
116.16080	1.8
118.20827	1.9
119.03364	15.7
121.02803	2.5
123.04419	4.3
125.02338	2.3
132.96391	2.0
135.04425	2.0
137.07089	8.6
141.06631	2.2
143.03395	16.6
149.04460	3.1
150.03040	2.6
151.03896	4.5
154.09764	2.7
155.03450	6.4
155.73860	2.7
161.04475	8.7
165.05396	3.4
169.05067	3.1
173.04301	2.1
173.11824	2.2
179.05533	41.1
191.05496	18.5
193.04959	4.5
195.06509	4.9
209.04338	3.3
209.11679	4.4
211.11935	4.5
221.04184	2.3
224.06757	4.2
227.05559	5.4
242.87704	2.2
255.10986	3.1
279.08551	2.8
297.09833	10.3
317.08676	3.4
326.60925	2.1
335.17233	4.6
380.15860	9.7
381.16013	4.8
387.12585	2.5
459.14984	14.1
471.50089	2.2
479.04553	2.8
536.25012	4.6
537.24915	7.4
566.26062	4.3
567.26245	9.9
584.26801	3.9
585.15930	40.0
585.25873	18.4
586.16412	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	585.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	8.9
59.01247	71.0
61.98699	6.8
63.84409	3.7
63.88097	3.9
68.99696	11.4
69.03310	13.5
70.92219	9.8
71.01251	71.6
72.99164	8.5
73.02817	28.6
75.00735	5.4
83.01252	5.5
85.02825	30.7
87.00761	19.8
89.02313	98.5
89.30378	4.1
91.41611	4.3
93.03336	4.7
95.01279	15.0
95.04890	3.7
96.95869	7.1
97.06452	7.4
99.00734	9.7
101.02322	71.1
107.04896	5.9
109.02815	4.4
113.02330	91.0
119.03387	47.3
121.02794	7.2
122.03607	11.2
123.04402	13.9
125.02312	7.1
125.09615	38.6
127.03828	5.7
131.03354	8.8
135.04430	5.0
137.02362	10.1
143.03403	21.4
149.02335	25.8
150.03120	63.2
151.03857	13.3
155.03397	22.2
161.04428	29.7
163.03880	4.2
164.04707	5.1
165.01781	9.0
165.05470	70.8
173.04466	5.1
179.03423	7.4
179.03719	8.0
179.05527	100.0
180.04289	10.0
180.05750	7.7
187.09682	33.0
191.05559	34.3
193.04961	5.7
195.06520	38.9
197.04453	11.7
211.06012	6.5
212.06909	4.7
221.06526	7.4
225.07608	10.0
227.05524	5.2
227.09142	11.8
297.09824	7.7
315.12323	5.2
317.08652	6.1
357.08539	6.6
357.13312	18.9
359.09891	5.1
375.14221	10.2
387.13318	7.8
389.14465	21.8
459.15146	11.6
537.20087	37.1
585.15717	66.3
585.22998	68.1
586.15686	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	585.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06089	0.7
59.01239	3.4
69.37410	7.1
71.01245	2.4
72.74213	0.7
72.99150	1.1
73.02799	1.4
76.16752	0.7
85.02820	1.4
87.00734	1.2
88.98672	3.3
89.02293	2.6
93.03323	5.5
96.95895	1.8
101.02316	2.1
108.02055	1.1
109.02821	1.7
111.00732	0.9
119.04858	1.5
120.99538	0.8
121.02850	4.2
122.03619	2.9
123.04456	3.7
125.09593	1.3
127.03902	0.9
133.02840	4.6
134.03627	54.9
135.04343	2.4
136.01555	3.3
137.02335	9.2
137.03328	1.1
139.03911	3.7
145.02881	1.8
147.04413	1.8
149.02342	10.9
149.05968	20.1
150.03127	23.0
151.03912	15.9
153.05527	1.0
155.03386	0.8
161.02391	0.8
163.03914	1.3
164.04654	2.4
165.05487	18.9
173.04469	3.1
177.01854	1.4
177.05444	0.9
178.02623	34.9
179.03279	3.2
179.07028	2.6
180.04181	2.2
181.04932	7.7
189.05507	0.8
191.03754	0.9
191.05524	15.1
192.04237	8.9
192.05864	1.7
193.04979	100.0
194.05258	4.2
195.06549	6.9
197.11731	1.7
207.06552	10.9
215.09157	1.3
223.21715	0.7
282.08957	1.3
291.55746	0.7
299.09378	1.0
318.40445	0.7
327.08826	1.0
329.10397	2.1
334.13831	0.7
341.10135	1.8
343.11334	1.0
359.11343	2.7
389.12289	3.4
433.16833	1.4
443.13422	2.3
447.59628	0.7
537.17719	2.4
549.17767	4.3
567.18518	7.1
568.18939	1.1
570.91107	0.8
585.19495	10.2
586.19897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.9
60.88882	1.0
61.98693	2.9
67.01745	1.1
69.03319	2.6
71.01245	5.6
71.58855	1.1
72.99162	1.6
75.00738	2.2
77.46219	0.8
79.95597	1.4
83.04871	0.9
85.02795	5.2
87.00748	2.1
89.02287	4.3
91.35598	0.9
93.03323	13.0
95.04915	0.9
96.95887	3.8
97.02854	1.6
99.00741	1.1
101.02332	3.8
109.02823	2.0
111.04387	2.0
113.02315	3.0
120.99500	0.9
121.02825	7.7
122.03631	13.6
123.04346	1.0
123.08183	1.0
133.02827	2.9
135.04411	2.6
136.01601	1.5
137.02330	1.9
149.02344	40.6
150.03122	99.2
151.03528	3.2
155.03452	1.5
160.01550	1.1
164.04706	9.8
165.05475	100.0
166.05809	4.2
171.10143	1.5
173.04463	8.1
173.05829	1.5
175.03850	1.3
179.03407	2.3
179.05600	1.3
179.07011	1.5
180.04187	5.8
191.05533	34.1
192.05890	1.7
195.06552	66.1
196.06848	2.6
204.06401	0.9
209.11713	1.2
223.09727	0.9
229.08685	1.2
267.06741	1.0
270.08853	1.2
283.09894	1.6
285.11340	1.8
297.11240	1.2
298.08438	0.9
299.09171	2.0
299.12567	1.2
311.09180	1.1
314.07813	2.1
325.10602	1.3
326.11346	1.1
327.12369	3.9
328.13156	7.9
329.10297	5.3
329.13742	1.3
341.10382	7.5
342.10370	1.1
343.15335	2.1
344.12601	7.5
356.12534	3.3
359.15024	20.6
360.15137	1.9
371.10544	1.2
371.15009	13.5
372.15472	2.2
451.57202	1.0
461.15829	2.1
488.12866	2.5
507.20044	8.3
508.20950	1.4
525.28821	1.1
537.21259	43.1
538.21674	5.5
567.21057	1.2
585.23755	4.9
585.32288	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	585.304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77153	1.0
59.01242	1.2
60.21233	1.1
68.73662	0.9
69.89246	2.6
69.89662	3.2
78.66823	0.9
78.95773	71.4
82.95964	1.1
93.13390	0.9
96.95888	1.0
96.96839	14.8
97.30016	0.9
103.73745	0.8
120.31818	1.1
136.64900	1.1
152.99481	63.8
222.99998	1.9
241.01137	35.6
269.24826	78.9
270.25244	5.4
315.04895	11.4
340.46280	1.1
405.23825	5.5
511.62369	1.2
547.10187	1.3
585.30408	100.0
586.30725	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	587.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	10.7
59.03088	0.7
61.98707	1.5
68.99713	1.2
69.03311	2.4
71.01248	10.4
71.59038	1.1
72.99174	2.4
73.02815	2.5
75.00746	1.1
80.96413	0.9
83.01228	1.7
85.02814	5.1
87.00735	3.2
89.02307	4.0
93.03324	5.7
96.95877	5.4
99.00782	1.0
101.02313	5.3
109.02818	1.0
111.04364	1.4
113.02332	2.2
119.03347	1.1
119.04839	1.3
120.19514	0.9
120.99512	0.9
125.02323	1.3
135.04396	2.7
137.02341	1.4
138.73335	1.0
140.72668	0.8
149.04482	1.3
150.03093	1.1
150.98759	0.8
163.03827	0.8
171.10217	1.8
173.04472	5.0
179.03456	1.1
179.05496	1.1
185.00835	1.1
191.03934	1.5
191.05528	17.7
192.05853	1.5
199.56259	0.9
219.10103	1.1
227.16414	3.8
253.08641	1.1
270.60745	1.1
371.20667	2.9
389.21780	100.0
390.22131	8.0
413.21600	1.9
587.24878	6.1
588.24213	1.1
609.15289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00820	0.5
53.36343	0.5
59.01250	12.0
61.98717	2.5
71.01250	4.1
71.58328	0.5
71.58660	0.5
73.02816	1.0
75.00742	1.0
78.95779	1.3
79.63937	0.5
80.91555	0.7
85.02813	2.4
87.00727	1.1
89.02309	3.7
93.03349	1.4
101.02325	4.9
111.04335	0.5
113.02304	2.4
119.03391	1.1
120.48786	0.5
131.03392	0.5
134.03578	0.5
135.02911	0.9
135.04384	0.7
148.08789	1.0
149.04433	0.7
150.82173	0.5
152.99460	1.2
155.03333	0.6
161.02342	0.6
161.04468	1.7
161.09592	0.5
163.06006	0.7
163.11169	0.8
165.12767	15.1
171.10216	3.1
173.04498	1.6
191.05559	4.7
192.29384	0.6
197.11763	1.5
209.11694	1.2
247.20644	6.7
248.20943	0.7
253.09267	15.1
254.09492	0.9
273.18582	4.1
291.19653	100.0
292.19983	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	587.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98640	0.8
59.01247	19.1
61.98700	4.8
71.01247	8.6
73.02818	2.2
77.55598	0.7
78.95763	2.0
82.95259	1.1
83.01236	1.9
85.02808	3.5
87.00739	2.4
89.02321	5.1
93.03328	3.9
96.95891	1.7
101.02319	7.0
109.02829	1.2
109.06440	0.9
113.02317	2.7
119.03391	2.2
135.02847	1.6
135.04404	1.5
150.04512	0.8
152.99471	1.7
155.03491	1.1
161.04462	2.3
163.06000	1.1
163.11038	0.9
165.11526	1.2
165.12759	13.8
171.10191	4.5
173.04454	2.1
179.03351	0.8
179.05496	1.0
187.07536	1.1
191.05527	12.6
197.11719	1.7
197.82307	0.8
201.11221	1.1
207.10100	1.2
209.11761	3.0
211.07594	1.1
225.11217	1.2
227.12660	1.0
247.20734	5.8
253.09224	14.4
273.18512	3.7
291.19644	100.0
292.20044	7.5
307.19983	0.9
309.20575	1.6
451.21286	1.0
474.97696	0.9
527.28583	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	588.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.3
57.03321	1.5
58.00472	5.0
59.01247	100.0
61.40339	0.9
61.98689	0.8
62.78967	0.7
65.03836	7.0
69.03312	2.8
71.01251	64.8
72.01572	0.8
72.99162	7.9
73.02815	2.4
75.00738	10.0
78.95762	2.7
81.03322	7.3
83.01249	2.5
83.04881	3.3
84.02037	1.1
85.02812	10.7
87.00752	3.3
89.02311	81.1
90.02635	1.0
93.03331	16.5
95.01265	4.0
95.04897	2.9
97.02841	0.8
98.02343	1.1
101.02316	49.4
105.15634	0.8
110.06031	1.0
111.04418	1.1
112.37766	0.8
113.02325	26.9
119.03386	43.3
119.04871	3.1
121.27188	0.8
124.07549	1.1
125.02307	1.3
131.03395	4.8
136.07549	2.9
136.37521	0.8
137.05957	5.2
143.03404	8.4
149.04477	3.5
152.07056	0.9
152.99498	2.5
154.08617	2.5
161.04437	6.6
164.07028	1.3
179.05504	15.5
181.47658	1.1
182.08134	2.9
223.82338	1.0
225.22174	17.7
253.21581	1.8
270.24399	12.1
271.22617	8.5
296.25919	3.4
312.25296	1.7
324.25235	1.2
326.26807	2.1
378.30032	1.5
390.30069	9.9
408.31155	34.2
409.31482	3.4
426.32156	15.7
427.32230	2.0
588.37500	36.2
589.38153	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62138	1.2
52.43697	1.1
53.23936	1.1
57.03305	1.6
59.01250	12.2
61.98696	18.5
69.03306	1.8
70.27657	5.1
71.01244	6.0
72.99177	1.5
73.02833	1.5
75.00727	1.8
80.02536	2.3
81.03316	2.6
81.80627	1.2
83.01244	3.3
83.04890	10.0
84.02026	1.9
85.02805	2.7
85.94505	1.2
87.00755	2.4
88.92404	1.1
89.02299	3.8
89.62273	1.3
93.03329	3.3
95.04889	2.2
96.95884	2.9
97.06445	2.0
101.02322	5.2
107.82722	1.4
111.04417	1.5
113.02291	1.4
119.03344	2.7
122.18869	1.3
125.09596	2.8
135.04428	1.3
137.02353	1.9
141.47270	1.1
151.11185	5.8
161.02266	1.6
161.04489	1.3
163.11143	5.7
165.12752	3.8
169.12245	78.5
170.12566	4.8
171.10124	2.6
173.04472	3.7
181.12267	1.5
191.05495	14.0
191.10681	2.5
197.11763	53.4
198.12117	3.2
209.11754	100.0
210.12180	6.0
227.06891	2.1
227.12811	12.3
228.13480	1.3
241.10788	2.8
409.57166	1.3
419.80331	1.2
525.27014	60.7
526.27142	7.9
557.29663	53.9
558.30194	6.9
589.32269	51.4
590.32642	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	589.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.4
59.01246	3.8
60.80975	0.2
61.98678	0.3
65.75016	0.3
67.01760	0.3
69.03335	0.4
70.73397	1.0
71.01243	4.3
72.99189	0.6
73.02795	0.6
75.00742	0.7
78.95739	0.3
83.01280	0.4
85.02820	1.9
87.00759	0.7
89.02315	2.8
93.03334	1.6
96.85733	0.2
96.95882	2.3
97.02833	0.3
99.00780	0.3
101.02305	2.6
111.00752	0.4
111.04258	0.3
113.02339	1.6
115.00253	0.3
119.03378	1.0
125.09608	1.0
127.11198	1.7
131.03368	0.6
133.02763	0.4
135.04422	0.4
137.02332	0.5
143.03465	0.3
149.04442	0.8
153.09077	0.6
161.04495	1.9
161.63045	0.3
171.10168	100.0
172.10522	3.9
173.04454	1.1
179.05421	0.7
191.05531	4.3
209.11963	0.4
238.56070	0.3
245.36206	0.2
402.16721	0.3
405.79166	0.3
417.24976	4.6
449.14523	0.6
529.26733	1.3
555.17297	0.3
589.32605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03319	1.4
58.00466	4.4
59.01246	100.0
60.01580	1.4
70.02835	1.1
71.01248	61.4
71.19323	0.8
71.62210	0.4
72.01605	1.0
72.99177	6.0
73.02821	2.1
74.66638	0.4
74.76265	0.4
75.00744	0.7
78.95773	0.5
79.19563	0.4
81.03342	0.5
83.01245	3.1
83.04898	1.6
84.02096	0.6
85.02332	0.9
85.02819	11.4
85.06469	2.1
86.02376	0.6
87.00753	3.3
88.03925	1.9
89.02310	72.1
90.02618	1.0
95.01249	3.3
95.04922	0.7
96.95859	0.4
97.21738	0.4
98.02363	1.0
101.02314	41.4
102.02641	0.6
103.14759	0.4
108.08061	3.8
113.02325	23.5
115.07498	1.0
119.03381	37.6
120.03745	0.8
124.07561	0.7
126.09129	7.5
131.03363	3.6
136.07542	0.8
138.09108	2.6
143.03387	6.9
149.04472	2.7
154.08626	1.4
156.10185	2.2
161.04474	5.2
166.08589	2.0
179.05510	14.0
184.09718	1.8
223.20604	0.6
225.22168	12.6
226.22411	1.1
253.21709	3.6
255.23299	1.0
270.24323	1.8
271.22714	6.1
272.23126	0.9
285.83609	0.4
296.25919	4.2
312.25320	1.8
314.27087	0.5
324.25443	1.3
362.30707	0.8
363.32230	0.5
380.31802	2.3
382.33405	0.5
392.31732	3.9
410.32706	42.2
411.33060	5.6
428.33749	16.1
429.34198	2.6
590.39020	64.3
591.39362	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	591.248
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
57.03316	1.8
59.01254	13.0
59.36779	1.9
61.98699	49.4
62.79726	1.8
67.01757	2.8
71.01260	14.1
71.58875	4.2
73.02822	1.9
75.00742	3.4
78.95750	2.0
78.98451	5.8
79.95604	14.3
80.96386	67.6
85.02827	10.4
87.00743	5.3
89.02316	4.4
90.62104	1.7
93.03326	10.3
94.97963	16.9
96.95882	13.2
97.57433	2.1
99.00777	2.5
101.02322	7.1
106.97939	2.5
111.04404	2.0
113.02324	3.5
120.99551	1.9
125.02341	3.0
127.03896	2.1
133.02814	2.0
134.97441	4.1
135.04375	3.1
137.02362	4.1
148.99037	5.1
150.38545	2.0
152.98524	6.4
164.98526	14.9
173.04491	7.4
176.04599	1.9
176.85603	2.3
190.90569	2.0
191.05531	32.0
192.05928	2.3
196.18164	2.0
206.99670	4.2
209.11731	4.4
219.05360	2.0
225.00661	17.2
299.04239	5.3
335.65366	2.2
432.90948	2.3
591.24780	100.0
592.25037	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	591.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62060	0.9
54.61019	0.9
58.00467	1.2
59.01247	46.4
69.03316	2.4
69.28006	7.5
69.28434	3.6
69.96674	1.0
70.50293	1.1
71.01249	39.5
72.99155	1.2
73.02810	6.1
83.01261	1.3
85.02824	7.2
87.00759	5.5
89.02312	59.7
91.02041	1.2
93.03323	1.7
95.01254	3.0
97.02813	2.6
99.00766	1.4
101.02322	46.5
107.03355	1.1
113.02329	18.9
119.03386	26.7
123.26823	1.0
125.02350	8.6
131.03371	5.5
137.09619	1.7
143.03407	9.4
149.04416	2.6
161.04442	17.6
170.28801	1.1
174.59544	1.0
179.05519	100.0
180.05885	1.7
191.05467	3.6
221.06628	25.6
281.08698	1.7
323.09760	2.1
341.10632	1.8
348.48538	1.0
439.21887	1.0
475.18198	1.1
591.17609	2.1
591.26538	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	591.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45200	1.3
57.03305	1.6
57.68159	1.1
58.00476	3.4
59.01249	63.4
59.13494	1.1
63.74511	1.0
65.71387	1.3
69.53500	8.2
71.01250	53.2
72.99197	3.3
73.02814	7.3
83.01250	2.1
85.02820	11.4
87.00755	4.9
89.02314	69.8
92.34812	1.3
95.01275	2.6
96.95891	1.7
98.19833	2.7
100.73895	1.1
101.02320	61.6
113.02328	23.7
113.86910	1.4
119.03380	33.9
125.02350	2.2
131.03419	8.4
143.03423	10.9
149.04486	2.7
161.04480	24.5
179.05521	100.0
180.05930	2.6
183.12076	1.1
191.05534	3.8
221.06616	29.8
222.06943	2.0
293.64978	1.1
341.11105	1.6
546.74811	1.3
605.83545	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	591.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.8
58.00464	1.7
59.01246	89.0
69.03306	1.5
69.53017	9.3
71.01249	69.5
72.99192	4.0
73.02825	9.9
76.09133	1.3
78.95777	2.4
79.95576	1.8
83.01270	2.4
85.02827	13.0
87.00776	6.8
89.02312	88.3
89.63663	1.5
95.01263	4.1
101.02314	69.6
113.02329	27.4
119.03381	30.9
125.02306	4.3
131.03391	7.1
131.50650	1.4
137.09535	2.3
137.52130	1.4
143.03403	9.1
149.04402	3.0
161.04445	21.0
176.86607	1.3
179.05521	100.0
191.05569	4.1
221.06590	30.7
297.82690	1.6
315.10629	1.6
341.10727	1.8
385.98413	1.6
444.89215	1.8
512.57617	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	591.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45432	1.0
57.03322	2.6
58.00459	2.7
59.01247	95.1
60.99174	1.3
61.98698	3.4
66.62476	1.2
67.01775	1.9
68.99677	2.0
69.03334	3.1
69.36665	10.7
71.01250	71.5
71.04910	1.3
72.01620	1.1
72.97417	1.2
72.99169	6.5
73.02817	12.2
75.00726	1.5
78.95781	2.5
81.03313	1.4
83.01261	3.9
83.04852	1.1
85.02829	18.4
85.99974	1.9
87.00743	16.6
89.02311	98.9
93.03329	14.3
96.95889	17.8
96.96831	1.6
97.02852	1.9
97.47398	1.3
98.19697	2.1
99.00740	2.6
99.04360	1.3
100.84178	1.0
101.02317	51.6
109.02831	2.3
111.00761	1.5
111.04400	3.1
113.02331	12.4
117.97198	1.3
119.03355	6.7
120.99545	2.6
121.02857	1.5
125.02326	3.6
127.03928	1.9
127.11189	1.1
129.96414	1.1
131.03389	41.7
132.03760	1.9
134.03661	1.7
135.02852	2.0
135.04427	3.9
137.02376	2.2
143.03397	1.7
149.04454	100.0
155.03374	1.8
161.04453	3.9
171.10179	6.9
172.10567	1.2
173.04463	10.9
173.05844	1.7
179.03436	1.9
179.05322	1.3
191.05539	57.8
192.05905	3.5
201.11261	4.3
210.07645	1.3
221.08115	3.2
225.09137	1.2
250.09523	1.2
251.07845	1.9
253.09044	1.4
267.16266	1.5
285.20422	1.2
292.18851	1.3
311.09756	1.5
369.22717	1.5
399.23755	2.2
405.24652	2.2
448.84070	1.2
531.27997	19.6
532.28125	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	591.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.0
57.03305	3.0
58.00465	3.2
59.01245	91.3
61.98695	4.1
69.03325	33.8
71.01250	75.0
72.99180	5.6
73.02811	13.4
75.00784	1.9
75.29202	1.8
76.38206	1.8
78.95773	5.5
80.96367	2.1
81.65910	1.7
83.01246	3.4
85.02817	19.8
87.00739	15.2
87.90698	1.8
89.02312	100.0
90.02673	1.8
90.16241	1.7
93.03336	8.7
95.01246	3.0
96.95890	8.7
97.02819	9.2
99.00748	8.9
99.04379	2.0
101.02318	54.3
111.00729	2.9
113.02310	17.6
117.88219	1.8
119.03368	10.2
120.99561	2.1
125.02310	5.4
131.03392	48.6
133.02812	2.9
134.03658	1.9
135.04428	3.9
143.03337	3.7
149.04453	90.3
150.04793	2.3
152.99525	2.6
161.02325	2.2
161.04404	4.9
169.12241	2.2
171.10187	6.7
173.04446	10.0
175.03734	2.7
176.01060	2.1
178.02599	3.6
185.00848	26.5
191.05534	61.2
192.05852	3.1
197.11757	2.5
201.11214	5.3
209.11678	4.2
229.63364	2.0
282.68652	2.3
292.75482	1.9
293.08807	2.7
306.07352	2.9
345.36679	2.1
352.26471	2.2
399.23779	7.1
405.24667	10.1
489.22305	2.1
513.30664	2.5
531.27905	61.5
532.28577	5.5
591.26495	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	593.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.2
66.56878	0.2
68.43569	0.2
76.03062	0.2
77.03836	0.5
80.96384	0.6
91.01776	0.3
91.43430	0.2
93.03333	0.2
94.97952	0.2
97.63871	0.1
120.01998	0.8
121.02837	100.0
122.03180	2.9
136.01547	0.4
161.60440	0.2
165.01834	4.3
180.05762	0.3
181.04977	0.3
181.06496	2.6
182.06859	0.3
189.07983	0.2
191.05579	0.2
197.05994	1.8
207.04495	0.6
207.08142	0.2
209.04478	56.0
210.04803	2.7
223.03963	0.4
225.05525	1.9
251.06966	0.3
257.09653	0.6
301.08853	0.2
313.07153	1.2
329.08295	0.2
339.08871	0.2
357.06107	0.8
373.10999	0.4
383.07611	1.3
401.08719	0.4
417.09860	1.1
505.11450	3.0
506.11765	0.4
516.50854	0.2
549.10352	6.5
550.10730	0.7
593.12927	9.3
593.26733	0.6
594.13379	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	593.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33988	0.6
58.19690	0.6
59.01237	1.6
61.98690	2.5
71.01248	2.0
76.35485	0.7
78.95757	0.7
78.98463	1.5
79.95608	2.8
80.96385	13.1
85.02802	2.0
87.00764	1.2
93.03349	1.3
94.97958	2.8
96.95892	1.3
101.02341	0.9
106.98005	1.0
118.11227	0.6
121.02835	100.0
122.03174	2.3
122.97473	1.1
123.59433	0.7
125.02308	0.8
128.97244	0.6
134.97446	0.9
135.04417	1.0
137.02324	0.8
145.97528	0.7
148.99017	1.0
152.98503	1.5
164.98517	2.4
165.01816	4.8
173.04495	1.1
181.06516	2.5
185.68324	0.7
191.05542	4.0
197.06013	1.4
209.04483	65.3
209.11763	1.3
210.04800	2.7
225.00714	4.1
225.05522	2.1
293.21353	1.0
299.04172	0.9
303.40115	0.6
313.07455	1.1
357.06216	2.9
383.07639	4.7
505.11462	2.2
549.10431	4.1
568.24451	0.7
593.12537	5.5
593.26276	18.9
594.13605	1.5
620.48010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	20.5
61.98692	4.6
62.72468	1.2
62.98487	1.1
65.51680	1.2
67.01752	1.8
68.99687	5.8
69.03329	6.7
69.38206	5.5
69.38634	5.0
71.01242	20.1
72.99181	1.8
73.02811	3.3
81.03317	3.3
83.01223	2.3
83.04902	2.0
83.42591	1.1
85.02821	10.8
87.00749	19.8
89.02320	12.4
90.02707	1.3
90.98456	10.6
93.03325	26.3
95.01248	5.4
95.04900	1.8
96.95869	2.0
97.02831	6.6
98.19823	2.4
99.00775	2.7
101.02315	18.6
105.01681	1.3
107.01276	2.7
107.04882	1.9
108.02028	1.7
109.02809	4.9
111.04393	3.7
113.02326	5.6
119.03373	4.7
121.02814	3.1
123.04373	5.8
125.02328	19.7
125.05922	2.4
127.03865	1.8
132.02097	1.2
135.00714	1.3
135.04395	4.6
137.02332	15.1
143.03386	5.1
151.00262	3.0
151.03882	3.5
153.01884	2.2
153.05463	1.9
155.03403	28.2
159.04463	1.4
161.02412	1.9
161.04419	1.9
163.00282	2.5
163.03899	1.7
173.04524	2.1
179.03424	3.7
179.05476	4.7
181.06073	1.2
185.06006	4.4
187.03915	3.9
189.05487	1.8
191.05530	7.9
197.04443	1.4
207.02989	1.1
211.03905	2.9
213.05536	1.3
221.06671	1.3
227.03427	31.5
229.05040	11.6
239.03377	1.9
255.02956	50.6
256.03549	5.3
257.04572	7.2
263.09299	1.3
284.03241	72.2
285.04004	100.0
286.04388	6.6
290.29050	1.4
339.07242	1.4
365.08539	2.2
365.13278	1.3
533.26080	5.3
593.15118	70.4
594.15375	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	593.1509
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
59.01244	3.7
61.98696	14.9
63.02253	0.7
63.26179	0.6
65.00169	0.6
68.99667	1.1
69.03311	0.8
69.42826	5.2
72.99136	0.7
75.00732	1.4
77.71093	0.6
83.01217	0.5
85.02818	2.0
87.00758	1.5
89.02298	2.7
93.03331	2.6
95.01243	0.9
96.95888	0.9
101.02331	7.1
102.15263	0.6
104.50404	0.6
107.01266	1.0
112.64665	0.6
113.02327	1.0
119.03376	1.5
125.02325	1.1
131.03389	1.0
132.02003	0.7
137.02281	0.7
140.59384	0.6
149.04402	0.7
151.00212	2.7
155.03400	3.1
163.00304	1.2
173.04466	1.9
174.02922	0.6
179.05530	1.3
185.05922	0.9
187.03871	1.1
191.05530	7.8
195.04620	0.8
199.03932	1.1
211.03925	2.3
227.03442	32.5
228.03819	2.1
229.04994	3.4
239.03470	0.8
255.02957	55.9
256.03497	6.6
257.04510	1.9
277.01721	0.7
284.03247	75.4
285.03961	32.3
286.04337	1.6
327.05002	1.2
334.56842	0.8
343.06549	0.8
361.11249	2.2
421.34116	0.6
431.15826	0.9
593.15051	100.0
594.15375	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	593.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	15.7
59.01249	44.3
67.01756	4.1
68.99677	13.6
69.50900	3.8
69.79612	24.8
71.01257	68.1
72.84708	3.4
72.99173	9.6
73.02816	8.1
75.00729	8.9
78.46767	4.4
83.01259	17.3
85.02817	28.2
87.00761	7.7
88.98685	8.6
89.02313	32.6
89.16621	3.6
93.03354	7.9
93.74218	3.8
96.95881	9.2
97.02805	4.1
99.00751	38.3
101.02321	22.9
111.00768	34.6
112.97964	7.4
112.98685	100.0
113.02322	11.4
115.00259	14.2
119.03376	11.1
123.04428	4.0
124.51852	3.3
125.02329	4.0
127.56159	3.4
129.01840	43.8
130.55473	3.8
133.23022	4.0
142.88817	3.7
142.99785	7.7
143.03384	5.8
145.01366	22.6
155.03369	11.0
163.06041	18.5
173.00864	36.2
173.04445	5.2
179.03320	4.4
179.05449	5.9
191.05547	22.6
233.33295	4.0
315.22961	3.6
494.58975	4.6
593.18427	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	593.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94464	1.4
58.00471	1.9
59.01247	40.7
65.03826	3.2
67.01736	3.1
68.99686	13.5
69.03320	25.6
69.30488	10.6
69.30907	6.1
71.01244	30.2
71.04900	1.9
71.56654	1.6
72.01579	1.8
72.99164	4.5
73.02808	6.9
74.42541	1.7
81.03320	6.8
83.01241	7.1
83.04877	2.7
85.02809	20.3
87.00742	56.5
89.02316	19.2
93.03327	61.2
95.01258	13.5
95.04901	3.2
96.95864	5.9
97.02818	17.8
97.79721	1.4
99.00721	6.6
101.02311	31.3
107.01262	3.2
107.04873	6.0
108.02056	3.9
109.02835	11.6
111.00732	3.4
111.04379	5.7
113.02328	10.4
115.00259	2.3
119.03410	7.9
121.02822	6.4
123.00747	1.9
123.04386	16.7
125.02330	56.6
125.05959	6.8
126.02551	2.2
127.03887	5.4
133.02800	2.4
135.00710	3.0
135.04393	10.1
137.02330	38.2
139.03879	4.8
141.01796	2.6
143.03409	15.1
143.04459	2.6
143.04858	1.6
149.02330	1.8
151.00256	4.7
151.03870	9.6
153.01822	5.1
153.05458	4.3
155.03391	68.7
155.12929	1.8
158.08241	1.6
161.02325	3.4
163.00316	2.8
163.03854	4.8
165.01787	4.7
173.04468	3.4
173.05879	1.9
179.03394	6.0
179.05495	2.6
181.04970	1.6
185.05943	2.7
187.03909	3.7
189.05585	2.0
191.05510	13.4
193.04924	2.0
195.04388	2.1
197.04358	3.2
199.03876	2.2
200.99292	2.1
211.04060	3.2
213.05330	2.2
225.07645	2.8
227.03415	41.8
228.03850	3.5
229.05026	13.1
239.03247	1.7
255.02953	65.3
256.03397	8.9
257.04471	8.3
269.68262	1.9
281.06720	3.6
284.00012	2.5
284.03235	74.4
285.03995	100.0
286.04391	7.2
295.08167	2.2
335.07724	2.1
339.07242	5.8
353.08557	5.9
363.06934	2.3
365.08701	6.0
533.26666	3.6
593.15118	97.4
594.15381	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	593.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.3
59.01252	2.7
61.98689	0.6
62.46961	0.2
68.88710	0.3
69.77940	1.8
71.01242	2.6
72.99178	1.1
74.49950	0.3
75.00754	0.6
75.73331	0.3
83.04870	0.3
85.02824	1.5
87.00725	0.9
89.02320	2.6
90.98466	100.0
91.98811	0.8
93.03342	1.2
96.95879	2.2
98.20457	0.4
99.00759	0.3
101.02323	2.1
109.02850	0.3
113.02332	1.0
119.03387	0.8
119.04920	2.6
125.02371	0.5
131.03430	0.4
135.04404	0.3
149.04491	1.5
161.04475	0.5
163.03917	6.4
171.43724	0.3
173.04494	1.4
179.03427	0.6
179.05449	0.5
191.05516	7.2
235.08456	0.3
255.03104	0.4
270.72977	0.3
282.17322	0.3
284.03275	0.7
285.04114	0.4
288.56378	0.3
292.79892	0.3
325.09433	0.8
431.13596	0.4
533.26215	0.6
593.14758	0.5
593.27960	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	593.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.3
66.40042	0.7
70.65233	1.6
70.65615	1.5
78.95773	72.0
90.24969	0.8
96.96838	12.9
96.97472	0.6
100.79104	0.7
106.97614	0.7
109.43968	0.8
116.53332	0.6
150.98003	1.4
152.99484	100.0
153.99881	1.0
171.00583	2.4
223.00061	9.3
241.01152	26.3
259.02264	1.8
277.21704	50.6
278.21970	4.1
298.10425	0.6
315.04868	17.1
333.05951	1.0
525.44916	0.7
585.89740	0.9
593.27271	83.6
594.27631	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	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12525	0.5
50.34377	0.5
53.82277	0.4
59.01235	1.7
64.82558	0.5
71.07841	1.2
78.95772	66.5
94.27175	0.5
96.96830	11.7
150.97916	1.3
152.99481	100.0
153.99820	1.5
162.54568	0.5
171.00572	3.1
185.02487	0.5
222.98074	1.0
223.00072	11.9
223.02081	1.0
241.01144	24.6
242.01369	1.2
259.02136	1.5
259.20615	0.9
277.21695	47.6
278.22104	4.2
279.86429	0.5
315.04855	15.0
333.06076	1.2
383.12091	0.5
593.27271	79.6
594.27539	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	593.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.0
59.99467	0.5
60.51993	0.5
61.23611	0.5
65.18752	0.5
70.72526	1.3
70.72879	0.7
74.96591	0.6
78.95769	90.1
96.96833	20.1
150.97931	1.4
152.99478	76.6
171.00653	0.6
221.41702	0.7
223.00061	3.1
241.01131	42.0
242.01454	1.2
259.02325	1.0
277.21686	63.0
278.22076	4.9
315.04852	13.5
374.19052	0.7
413.20901	8.4
431.22351	0.7
593.27246	100.0
594.27637	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	594.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.4
57.55470	0.3
59.01249	55.7
60.01576	0.8
60.99180	0.4
61.98703	0.6
67.01772	0.8
69.03326	0.5
71.01254	1.5
72.99190	0.9
75.00734	0.3
81.03331	0.6
83.04913	0.5
85.02818	3.3
87.00760	2.2
89.02310	0.7
93.03333	6.8
96.95893	0.4
99.00740	0.4
101.02313	0.9
108.02034	0.6
109.02843	0.6
111.04377	1.0
113.02380	0.5
120.99551	0.4
127.03913	0.8
129.01889	0.4
133.02863	0.5
134.03661	0.4
135.04422	0.8
137.02361	0.6
155.03351	0.6
161.02344	0.6
173.04477	6.3
173.05891	0.4
179.03409	0.4
181.04932	0.3
187.07574	0.5
188.04646	0.4
189.05573	0.4
191.05536	32.3
192.05904	1.0
209.11731	0.5
217.08582	0.4
218.08127	0.7
223.06107	0.4
225.11430	0.4
230.09622	0.4
232.07330	0.5
237.05629	0.5
242.01346	0.6
243.02136	2.8
244.02782	0.5
245.03894	0.3
246.07579	1.7
247.09532	0.4
248.10516	0.4
250.73088	0.3
269.00351	0.3
269.03607	0.3
271.02310	0.8
272.02472	0.9
284.04813	0.4
299.01660	0.7
300.02652	0.9
327.06473	0.4
356.06601	0.5
357.07706	57.9
358.08044	5.8
372.10046	100.0
373.10367	9.9
389.15991	0.6
421.18494	0.5
463.08423	0.4
563.20972	0.8
577.21222	0.4
595.12714	0.3
595.23999	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	594.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12072	0.2
59.01249	75.9
60.01590	0.8
61.98700	0.6
67.01752	0.4
69.03326	0.2
69.35400	2.2
71.01267	0.5
72.42162	0.2
72.99183	0.5
75.19473	0.2
80.86214	0.2
83.01283	0.2
85.02823	1.2
86.02366	0.2
87.00758	0.8
89.02319	0.2
96.95892	0.2
98.19748	0.4
101.02314	0.4
127.03911	0.2
129.01808	0.2
135.04420	0.2
155.03407	0.2
159.04445	0.2
173.04471	2.0
175.07489	0.2
187.07515	0.4
188.07182	0.2
191.05527	9.5
192.05855	0.4
194.32062	0.2
200.08528	0.2
201.05498	0.2
201.09132	0.2
203.07030	0.2
215.02603	0.4
217.08720	0.2
218.08212	0.6
227.02599	0.3
234.66075	0.2
237.02019	0.2
242.01390	0.5
243.02132	3.1
244.02783	0.7
245.03662	0.8
246.07648	2.3
255.02924	0.4
256.05246	0.4
257.03619	0.3
258.04550	0.4
271.02502	1.3
272.02484	1.0
284.05069	0.4
299.01871	2.5
300.02716	1.8
301.03293	0.3
327.06549	0.3
333.79388	0.3
356.06720	0.3
357.07703	56.9
358.08035	5.3
372.10031	100.0
373.10367	9.3
421.51309	0.2
463.09085	0.3
498.17419	0.3
577.22058	0.2
595.23749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17679	0.6
65.00202	1.0
85.18119	0.5
89.30371	0.6
102.27001	0.6
107.01262	1.3
108.02031	1.3
121.02848	1.7
135.00728	0.7
148.01547	1.1
151.00284	4.4
164.01031	0.9
178.99744	2.6
191.91634	0.6
199.03873	1.6
211.04004	0.7
215.03453	1.2
226.02672	2.3
227.03447	2.1
229.71049	0.9
230.39426	0.6
243.02937	11.6
244.03310	0.9
254.02208	2.3
255.02954	27.9
256.03305	2.0
271.02457	65.2
272.03012	4.7
299.01935	3.0
300.02716	100.0
301.03287	11.8
445.07816	0.9
595.12976	38.6
596.13141	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	595.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	9.3
65.00191	3.4
68.99665	1.4
69.03324	2.0
71.01262	7.7
71.58736	1.6
73.02768	1.6
80.63247	1.1
83.01247	2.2
85.02805	7.5
87.00750	2.8
89.02289	3.8
93.03327	7.7
95.01250	2.6
95.04052	1.3
96.95863	4.2
101.02311	3.3
107.01257	2.6
109.02785	2.0
109.99919	3.5
111.00761	1.6
111.04373	1.4
113.02325	2.2
120.96095	1.2
121.02810	2.5
123.00760	2.4
124.01497	1.6
124.44525	1.6
125.02299	1.9
133.02957	1.2
133.33310	1.2
135.04378	3.6
136.98648	1.8
137.02275	1.7
137.99471	1.6
139.00256	4.9
151.00235	7.1
152.00958	2.0
161.02359	2.2
165.98932	5.0
166.99730	2.7
171.04344	2.5
173.04448	4.8
173.05853	1.6
175.03914	1.6
178.99800	3.3
181.04988	1.6
183.04414	2.5
187.03871	3.2
191.05533	33.8
192.05861	2.8
198.03069	1.6
199.03856	3.2
201.05458	1.6
203.03366	2.2
205.08511	1.4
211.03973	3.1
215.03371	3.2
216.04158	1.4
227.03442	10.6
239.03505	1.9
243.02971	15.3
244.03490	3.2
254.02122	2.9
255.02937	44.3
256.03342	3.2
257.04443	5.0
271.02444	55.5
272.03207	16.4
273.03912	3.7
282.01642	2.1
283.02448	15.2
285.03949	1.7
299.01807	2.9
300.02722	94.7
301.03397	31.9
302.03949	3.5
355.11664	1.4
358.10461	2.9
373.13074	8.5
418.12680	1.5
433.15036	23.8
434.15622	1.6
445.07346	3.0
487.10208	1.4
491.19186	3.0
503.19144	7.6
570.75574	1.4
577.11523	3.7
595.12854	100.0
595.20404	6.9
596.13086	11.4
596.21051	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	595.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55133	0.7
55.34422	0.6
57.03319	0.8
59.00947	1.1
59.01250	22.8
60.99174	1.2
61.98692	1.0
67.01758	4.6
69.03339	2.3
69.42177	4.8
69.42590	1.6
70.57887	0.6
71.01252	12.4
72.99174	6.1
73.02799	4.0
74.32242	0.6
75.00768	0.6
81.03335	1.5
83.01250	1.3
83.04895	1.7
85.02816	11.5
87.00754	7.7
89.02318	6.4
93.03329	29.6
94.03647	0.7
95.01258	2.4
96.95912	1.3
97.02816	1.2
99.00763	1.2
99.04359	1.0
101.02317	8.2
103.03884	6.2
108.02074	3.7
109.02827	1.8
110.68148	0.7
111.04395	4.2
113.02319	1.9
114.25342	0.7
119.03386	3.0
121.02838	100.0
122.03178	2.5
123.04382	0.8
125.02346	5.7
127.03892	3.2
129.01785	1.2
136.01532	3.5
137.02345	4.2
143.03358	1.2
144.08817	0.8
145.04993	1.0
155.03426	2.6
163.06032	6.9
171.02943	1.0
171.04425	1.5
173.04466	25.5
173.05869	1.5
174.04819	1.1
175.07515	1.9
186.06850	0.8
187.07556	2.4
189.05498	1.3
189.09149	0.8
191.05531	92.6
192.05949	4.4
197.06021	1.5
199.07544	1.1
200.08340	1.7
201.05492	1.6
201.09177	1.9
202.06265	0.8
203.07056	2.8
204.07892	0.9
214.06326	1.2
215.07008	1.6
217.08624	1.8
227.07091	18.4
228.07288	1.6
229.08676	1.7
230.09392	1.3
231.10300	0.9
232.07349	0.9
233.06470	1.0
247.04520	1.1
247.09959	0.9
248.10490	1.0
259.06049	0.8
271.02451	1.2
279.12299	0.8
300.02664	2.1
303.82693	0.9
307.10291	5.0
327.16141	0.9
389.16064	4.2
421.18848	1.4
429.14008	8.0
433.24881	1.5
451.12122	1.2
545.20337	1.5
563.21692	5.2
564.22052	1.0
565.22247	1.0
577.20978	1.3
595.23322	4.3
595.31818	1.3
611.69965	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	595.2049
Annotation	Staunoside C
Peak:m/z	Relative Intensity
53.22351	0.8
59.01248	13.3
61.98697	3.3
67.01749	2.6
68.99686	1.6
69.03329	1.4
69.38632	1.5
69.39032	7.6
71.01245	8.5
72.99198	2.5
73.02821	2.7
75.00745	2.0
80.96416	1.0
83.01250	2.4
83.04892	1.1
85.02808	6.7
87.00757	3.3
89.02321	5.2
93.03318	7.8
95.01258	10.9
96.05713	0.8
96.95884	4.0
97.02860	1.1
98.20500	1.7
99.00788	1.1
101.02280	5.1
106.88331	0.8
107.04938	1.0
107.40358	1.0
109.02818	2.6
111.00782	1.1
111.04415	1.5
113.02337	2.5
119.03391	0.9
121.02812	3.3
123.00771	10.5
124.01573	2.7
125.02344	3.4
127.03882	1.2
132.21548	0.8
133.02866	1.6
134.03603	1.1
135.02850	1.2
135.04401	3.0
135.91701	1.0
136.98770	0.9
137.02304	3.5
138.03101	3.6
139.00261	11.7
139.03891	3.7
144.51016	1.1
145.02843	2.0
146.03622	2.1
147.04454	1.6
149.02373	2.3
149.05928	1.5
150.03105	2.3
150.82504	1.0
151.00301	2.5
151.03976	1.0
152.01033	1.2
153.01877	4.1
153.05478	2.2
159.04454	2.9
160.05209	4.5
161.02403	2.3
161.05974	1.3
162.03111	2.9
163.03897	2.8
164.04672	2.8
165.01883	1.0
166.02658	4.7
166.99678	1.2
167.03400	2.2
168.04147	1.1
173.04480	4.5
174.03123	1.3
175.03943	2.6
175.07550	3.6
176.00990	1.3
176.04729	1.2
177.01843	4.0
177.05501	4.8
177.91862	1.0
178.02582	3.9
179.03246	2.7
179.05598	1.6
179.07002	4.8
181.04968	6.7
187.03932	1.9
188.01054	1.3
189.01833	1.1
190.02594	1.1
191.03513	4.0
191.05521	32.4
191.06976	1.3
192.04199	6.8
192.05888	2.3
193.04948	9.5
197.11647	1.2
203.03368	4.8
204.04118	1.7
205.04895	1.8
207.06595	7.6
209.04425	1.3
218.05734	5.9
219.06490	1.3
223.06004	1.5
227.03375	1.9
228.03842	1.1
229.03899	1.1
233.08287	1.1
234.05228	1.1
235.05881	1.1
251.09297	2.3
255.02866	5.1
256.03293	3.4
257.03458	2.1
269.92969	1.1
271.02460	3.6
271.06061	1.7
284.03278	4.3
285.03720	3.9
286.03976	5.4
287.04462	1.2
300.02780	5.8
301.03284	1.2
312.06345	1.4
325.07031	1.2
326.11707	1.0
329.10287	1.9
329.13870	12.2
330.14246	1.0
341.14032	1.3
343.08072	3.5
345.09616	1.4
355.08124	2.4
357.09793	2.6
358.10556	16.4
359.10852	2.9
373.09326	1.2
373.12897	32.4
374.13284	3.3
385.13055	1.8
403.10080	4.1
403.14474	14.4
404.14426	1.1
417.11847	3.5
418.12466	6.8
419.13327	1.9
433.14996	100.0
434.15332	11.2
517.18909	1.2
559.18433	1.1
565.15607	4.0
580.17950	2.6
595.20898	46.9
596.20990	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	595.2885
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01238	0.6
63.15032	0.4
70.92561	1.3
78.95772	69.5
96.95897	0.8
96.96835	13.1
104.52982	0.5
123.50616	0.5
144.08481	0.5
147.79623	0.5
150.97919	1.3
152.99483	100.0
153.99838	1.3
169.87523	0.5
171.00595	2.8
180.27606	0.5
223.00067	9.8
235.96817	0.5
241.01151	26.7
259.02197	1.8
261.22189	0.7
279.23282	65.6
280.23645	6.2
315.04868	17.0
316.05310	1.0
333.05865	1.0
595.28870	90.1
596.29211	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	595.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
69.29997	1.5
69.30401	5.9
78.95771	63.3
83.06155	0.6
96.96831	11.7
98.20512	1.0
102.86811	0.6
112.15281	0.7
152.99478	100.0
153.99828	1.2
171.00572	2.7
171.61726	0.7
223.00050	11.0
241.01129	24.9
242.01440	1.2
259.02310	1.4
279.23267	62.8
280.23572	4.5
315.04834	16.0
333.05698	1.6
350.43027	0.6
595.28833	90.4
596.29248	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	595.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47849	0.7
52.03603	0.6
59.01246	1.1
64.72095	0.6
68.52263	0.7
69.54716	3.8
69.55128	0.9
70.54230	0.6
75.36467	0.7
78.95773	82.7
80.91552	0.9
95.42723	0.5
96.95879	0.6
96.96258	1.1
96.96838	16.3
138.35583	0.7
152.99484	67.4
153.99820	1.2
161.04556	0.7
173.04549	0.6
209.11748	2.6
223.00037	2.2
241.01146	36.9
242.01450	1.0
259.02106	1.2
261.22150	0.9
268.03851	0.6
275.05972	0.8
277.21548	1.4
279.23276	71.0
280.23587	5.6
311.22299	1.4
315.04886	11.3
415.22531	6.7
433.23804	0.9
506.81976	0.8
595.28870	100.0
596.29108	13.7
596.38525	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	597.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34575	3.6
56.86052	3.6
57.43799	3.8
71.01254	8.2
71.23357	4.9
71.23673	5.8
73.02782	3.5
75.00723	5.8
83.01257	3.9
85.02828	3.6
87.00756	34.5
92.63455	3.7
93.03329	5.2
96.95887	6.7
99.00803	5.1
109.02824	3.8
111.00752	45.5
121.02820	5.1
122.03623	14.3
149.02345	33.4
150.03127	100.0
151.03873	8.3
161.02339	5.1
164.04691	15.1
164.96031	3.8
165.05473	91.1
166.02609	6.6
179.03427	7.4
179.07074	13.9
180.04182	7.5
181.05026	5.9
194.05728	9.9
195.06596	27.1
205.05060	4.4
209.08209	7.5
219.55292	3.6
249.04126	5.0
249.07809	3.8
252.50894	3.7
264.06406	10.6
265.07129	9.5
266.16769	3.5
337.09412	13.4
345.09351	4.0
413.12573	5.9
461.14511	49.1
465.51370	3.7
528.25012	4.5
579.17261	7.1
597.18286	75.9
598.18396	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	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.3
71.01241	5.7
71.07301	2.9
73.02808	4.0
83.01245	2.1
85.02806	4.0
87.00755	31.1
93.03343	3.0
96.95876	2.4
97.02789	1.5
99.00765	4.0
100.01530	3.4
101.02329	3.0
109.02804	1.8
111.00757	16.4
112.98705	4.7
113.02347	1.6
113.56926	1.3
115.00240	1.8
121.02828	5.3
122.03612	9.2
123.00781	7.4
123.04418	2.3
128.54904	1.3
129.01778	1.5
131.03368	1.6
132.32941	1.6
135.04379	2.3
136.01553	1.7
142.99786	3.8
149.02348	20.0
149.03418	2.2
150.03123	74.6
151.03847	6.0
161.02362	2.7
162.02965	1.4
162.83247	1.4
163.03867	4.9
164.04712	9.7
164.93391	1.2
165.05473	95.2
166.02625	4.5
166.05737	3.7
173.00827	11.4
174.01563	4.0
175.03812	2.5
176.04669	3.3
177.05499	2.7
178.06262	2.4
179.03406	5.2
179.07066	6.3
180.04195	9.2
181.04842	7.1
190.02626	1.3
191.03375	4.7
191.05487	7.8
191.07059	3.4
191.92603	1.4
193.08578	2.2
194.05739	6.3
195.06557	46.2
203.03445	2.4
205.04950	4.0
206.05769	3.7
209.08138	7.5
218.53654	1.4
219.02843	2.7
220.03703	2.3
221.08128	8.9
227.81004	1.4
233.04482	1.7
234.05177	2.8
239.85579	1.2
247.02377	2.8
249.03992	3.6
249.07521	2.5
261.03943	2.9
262.02234	1.7
262.04700	8.6
264.06277	5.1
265.07156	5.8
276.06326	4.8
277.07169	12.6
284.90811	1.4
291.08536	2.0
294.62634	1.4
337.09235	46.4
338.09665	2.6
357.13910	1.6
369.13287	9.3
400.10272	2.4
413.12418	5.7
425.11990	2.2
461.14517	38.0
462.14694	3.2
473.14548	3.2
491.15506	2.5
521.16699	2.9
531.14868	2.1
533.16571	9.7
549.02429	1.6
579.17059	18.4
580.17590	1.8
597.18164	100.0
598.18500	9.8
619.99347	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	597.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45789	0.3
58.02836	1.1
59.01244	3.8
61.98688	0.4
68.99689	0.5
69.03319	0.3
69.47335	2.0
69.47746	1.0
71.01260	1.9
71.37799	0.4
72.99191	0.8
73.02810	0.8
74.02325	0.4
75.00747	1.8
81.03327	12.9
83.04890	40.9
84.05219	0.8
85.02800	2.1
87.00754	1.7
89.02329	1.6
93.03322	3.1
96.95885	1.2
98.20562	0.7
100.07553	5.3
101.02319	2.1
102.01842	1.4
109.02761	0.4
111.04413	0.6
113.02309	1.0
113.99483	0.5
120.99508	0.4
125.02366	0.5
125.07079	0.4
126.05496	1.2
127.03885	0.8
130.95695	0.4
135.04364	0.7
149.02455	0.5
151.03873	0.7
173.04485	2.7
174.01566	1.7
174.02940	0.4
181.04970	0.4
191.05534	15.5
192.05908	1.2
193.06145	0.5
199.13307	2.2
199.18083	8.5
209.04114	0.5
223.06107	1.1
224.06558	1.3
224.17671	0.7
225.07581	1.4
225.16022	8.5
225.18083	0.8
226.16319	0.6
239.09151	2.1
243.17091	21.7
244.17299	1.0
269.15045	1.3
291.20953	0.6
309.21851	1.4
353.20792	8.0
354.21399	0.5
363.20514	0.4
371.21631	0.4
397.13516	1.2
405.15271	0.5
406.15466	0.5
435.16211	2.2
437.44803	0.4
451.32721	2.1
469.33948	14.2
470.34106	1.3
548.44873	0.5
579.20813	1.1
579.37671	3.1
597.38678	100.0
598.38971	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	598.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02840	7.8
59.01248	5.1
60.66631	0.7
61.98695	5.3
67.01745	2.0
68.76573	0.7
69.41596	6.2
71.01250	4.1
72.00763	1.2
72.99167	1.3
73.02813	1.4
74.02338	16.2
81.03300	1.1
81.04439	1.2
82.02849	2.0
83.04890	1.0
84.04412	0.9
85.02816	4.6
86.02348	4.9
86.05995	1.4
86.98979	2.2
87.00739	4.1
87.05509	3.1
88.93176	1.0
89.02317	1.5
90.00047	1.6
90.07779	0.7
93.03334	15.3
94.03646	1.6
95.01270	0.8
96.95890	1.2
97.03957	1.5
99.05509	15.2
101.02257	1.9
101.07084	2.2
102.05470	1.6
104.58849	0.8
109.02843	1.4
109.03977	1.7
111.04393	1.8
111.05511	1.3
112.03893	1.2
113.02305	1.6
116.01639	1.3
121.02856	1.0
123.05466	1.7
124.03977	1.0
125.03460	2.2
127.03968	1.0
127.05019	2.6
128.03415	38.1
129.01758	1.2
129.03740	0.9
134.03595	1.1
135.04530	1.7
135.05521	4.7
137.02338	1.6
137.07092	2.3
141.06590	3.2
143.04515	57.3
145.06070	2.3
146.04514	4.5
147.27959	0.7
149.07005	1.2
151.03816	1.3
153.06616	3.7
155.03397	2.2
160.00627	13.9
163.36923	0.8
166.09732	2.3
167.04532	4.3
167.08151	2.1
170.03198	1.0
171.04080	0.9
171.10081	3.6
173.04451	13.2
174.04813	1.1
175.00284	1.3
175.03755	0.8
177.03310	6.1
179.04523	12.2
181.06142	1.8
184.10866	0.9
185.05608	2.3
186.06752	0.8
187.07571	1.1
189.05455	1.0
191.05522	36.1
192.05910	4.0
192.07545	1.2
193.06197	1.1
197.05637	1.7
203.06998	1.4
205.08623	1.2
209.11775	4.2
210.08788	11.7
211.13258	2.3
215.07045	1.2
229.08629	0.9
231.06528	0.9
233.08250	3.8
242.07768	1.1
251.09061	2.2
254.07788	18.9
272.08850	31.9
273.09216	1.3
288.06567	10.0
306.07626	100.0
307.08041	5.2
337.31665	0.7
389.15991	1.6
423.12970	1.2
468.15344	0.9
563.21063	8.1
580.23700	1.3
581.22369	9.7
598.27893	9.1
599.23108	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	598.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.3
58.02845	12.8
59.01250	2.9
61.17896	0.5
61.72715	0.5
61.98692	5.2
66.03349	1.8
67.01766	0.6
68.99692	0.8
69.03331	0.8
70.02872	0.7
70.04053	0.5
71.01244	4.1
71.58313	0.6
71.58752	0.9
72.00791	1.9
72.99205	0.8
73.02811	0.8
74.00565	1.2
74.02341	27.6
81.04461	1.3
82.02856	4.5
83.01240	0.9
83.04883	0.6
84.04413	0.9
85.02811	2.8
85.03930	1.2
86.02341	10.9
86.05975	1.3
86.98983	1.1
87.00729	2.5
87.05507	5.7
88.03922	0.8
89.02314	1.1
93.03336	5.7
95.01281	0.7
95.02419	0.9
96.04423	1.7
96.95891	1.8
97.03942	3.3
98.02298	0.8
99.05513	22.9
100.00256	3.3
100.03928	0.8
101.02325	2.8
101.07102	4.4
102.05489	3.9
107.06026	1.5
107.08553	0.6
108.04451	0.8
109.03942	5.3
109.07587	1.5
110.02322	0.5
110.05988	0.7
111.04417	1.3
111.05520	2.6
111.72033	0.5
112.03917	2.7
113.03455	1.3
118.52514	0.5
121.03955	0.5
123.05574	2.4
124.03921	1.2
125.03457	3.8
125.09533	0.6
126.29129	0.5
127.05031	4.2
128.03424	67.8
129.01791	0.8
129.03850	1.1
133.02838	0.7
134.42221	0.5
135.04460	1.5
135.05513	9.0
135.08080	0.9
137.02364	0.9
137.07126	1.8
137.09608	0.9
139.05008	0.9
139.08644	0.5
141.06558	3.3
143.04517	88.1
144.04866	2.0
145.06056	4.0
146.04485	9.6
149.07106	0.8
153.06581	5.3
153.09180	1.5
153.12733	0.8
155.03391	1.2
155.08192	1.0
156.03734	0.6
157.38954	0.5
159.04425	0.5
163.26335	0.5
164.04619	0.6
164.08229	0.6
165.06606	0.5
166.09795	4.3
167.04530	3.4
167.08138	4.8
169.06049	1.3
170.03203	1.6
171.03969	3.1
171.10187	8.6
173.04453	5.7
179.02963	1.1
179.04532	23.7
180.04788	0.8
181.06096	2.2
184.09225	1.1
184.10793	0.7
185.04060	0.7
185.05608	3.4
187.07814	1.4
191.05542	12.8
192.05974	1.1
192.07715	2.4
197.05621	4.5
209.11743	7.1
210.08769	22.6
211.09102	0.9
211.13298	0.9
228.09853	2.2
229.08670	1.1
236.06683	0.8
247.20546	0.9
253.04671	1.2
254.07784	56.6
255.08124	2.9
271.05554	0.5
272.08859	100.0
273.09216	4.6
291.19675	3.5
304.06165	1.3
325.18378	6.8
326.18588	1.0
389.15939	0.7
425.94907	0.6
426.46509	0.6
450.80978	0.6
469.23935	5.6
470.24390	0.6
545.20404	1.5
563.21216	1.4
580.27148	7.9
581.17444	0.6
581.27667	1.1
598.27966	36.4
599.28235	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	599.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.7
56.56755	0.5
57.03323	1.0
59.01247	4.7
60.99182	0.8
61.98722	0.5
62.75904	0.5
67.01754	3.7
69.03322	100.0
69.58138	4.2
70.03657	1.9
71.01251	3.9
72.99177	2.8
73.02819	0.7
76.33652	0.5
79.01774	1.8
83.01212	0.9
85.02818	5.7
87.00737	3.6
89.02296	0.8
91.36795	0.5
93.03323	13.8
94.03670	0.6
95.01237	2.3
95.68237	0.6
96.95886	1.2
97.02821	20.2
98.19685	0.5
99.00751	23.8
99.04440	0.6
101.02301	1.5
105.60078	0.5
107.03874	0.5
109.02814	1.0
109.81429	0.5
111.04404	2.6
123.00758	0.9
124.47118	0.6
137.02347	0.9
141.01831	10.2
150.02788	0.5
151.47574	0.5
155.03365	0.9
171.10223	0.8
173.04462	12.3
174.06966	0.6
175.03952	0.8
177.05455	0.6
185.00826	84.4
186.01138	2.3
187.07506	1.6
189.05460	0.6
191.05521	32.4
192.05894	1.9
201.44652	0.6
203.07054	1.5
204.07776	0.8
209.11693	0.7
229.08534	1.1
230.09393	0.9
232.07448	3.0
233.08080	2.5
247.09697	1.6
251.09128	0.9
389.15826	1.6
407.16870	2.0
413.21805	7.3
414.21893	0.8
422.24759	0.6
563.21478	8.1
564.21869	0.7
581.22327	9.1
582.22736	1.0
583.93256	0.6
599.23370	10.4
600.23645	1.3
614.26483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	69.8
60.41336	0.7
70.51266	0.8
71.01245	4.9
71.58826	1.1
75.00756	1.7
83.01277	0.9
85.02835	2.3
87.00754	0.8
89.02306	4.3
93.03323	1.5
96.95898	0.8
97.02795	0.8
101.02335	3.9
113.02327	2.2
119.03364	1.4
121.02843	3.2
125.02299	0.9
125.09576	1.1
127.11179	2.2
149.02336	41.2
150.03122	13.1
151.03773	1.0
155.10640	0.8
161.04489	0.9
164.04686	14.7
165.05481	19.6
165.09195	1.2
166.06242	2.4
167.07040	1.6
173.04532	1.2
173.09901	1.0
174.66716	0.8
179.05560	0.9
180.04198	2.2
181.08687	1.0
191.05551	7.3
195.06583	10.6
199.09598	1.0
199.16081	0.9
201.11244	52.9
202.11624	2.6
218.19856	0.8
283.09659	1.1
314.11554	25.4
315.11902	1.3
329.13925	100.0
330.14322	7.1
377.16006	40.7
377.20908	1.5
378.16425	3.4
397.13516	3.4
415.14276	6.5
420.34131	1.0
563.20050	1.4
563.36511	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	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.6
59.01249	99.7
59.58007	1.5
62.82407	1.5
68.01328	1.4
69.57465	7.7
69.57873	2.6
71.01256	6.8
72.99230	1.3
78.06936	1.5
81.03339	1.4
85.02834	4.6
87.00750	3.0
89.02325	5.0
93.03318	2.4
96.95873	3.3
98.19785	2.4
101.02309	5.2
113.02347	2.2
121.02815	2.9
122.03634	4.8
133.02847	1.8
139.46703	1.4
149.02348	23.6
150.03128	53.7
151.03621	2.2
164.04716	6.2
165.05479	84.2
166.05913	3.2
180.04172	6.1
191.05499	21.4
195.06555	100.0
196.06897	3.5
201.11249	27.0
205.89572	1.3
206.19035	1.4
250.33632	1.6
277.55258	1.5
314.11594	6.5
322.54922	1.7
329.13892	32.2
330.14395	2.4
377.16019	47.1
378.16275	4.1
415.14706	2.9
460.25250	1.5
569.97449	1.9
600.18829	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	599.3198
Annotation	CHEMBL3780056
Peak:m/z	Relative Intensity
52.27310	1.6
59.01241	2.5
62.48169	1.5
70.60739	5.1
76.16996	1.7
78.95774	73.9
85.02347	1.8
91.62607	1.8
96.96830	13.1
120.40757	1.8
131.26637	1.4
143.29793	1.7
152.99483	63.1
178.57539	1.7
191.05611	2.9
222.99905	1.5
241.01146	33.4
283.26392	74.3
284.26791	5.9
315.04776	9.0
386.45258	2.1
419.25436	2.9
454.25293	2.0
599.31982	100.0
600.32446	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	599.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40887	0.2
57.03312	0.9
59.01243	1.3
67.01767	0.4
69.03325	0.3
69.42113	0.8
69.42525	1.8
71.01244	0.8
71.04876	0.5
72.99195	0.3
83.04891	0.8
84.68745	0.3
85.02813	1.1
87.00758	0.6
89.02322	0.3
93.03313	1.9
96.28050	0.3
111.04412	0.4
112.09628	0.3
125.09612	1.0
127.11167	2.2
155.14337	0.5
162.03046	0.3
165.12802	0.3
167.14319	1.3
171.10159	2.2
173.04422	1.4
177.05562	0.4
183.13866	0.9
191.05525	7.6
192.05853	0.7
193.12315	0.6
209.11832	2.0
211.13345	6.1
229.14401	100.0
230.14742	5.9
292.15234	0.3
292.37003	0.3
389.16101	0.5
488.81998	0.3
563.21393	0.9
581.22070	1.1
582.22638	0.4
599.23523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.1
59.01241	2.4
61.68539	1.3
65.95023	1.4
71.01276	1.4
78.95355	2.3
78.95774	22.7
81.56339	1.4
93.03328	2.6
95.04858	1.6
96.96843	3.4
116.47699	1.5
121.06452	1.9
123.04374	6.1
123.08036	8.2
137.09625	1.7
139.11148	4.8
142.02588	3.9
149.05936	1.6
151.11147	5.2
152.99492	19.0
155.14238	1.8
165.12755	16.1
177.12698	2.4
191.05484	4.2
199.13316	21.1
201.11211	1.6
241.01099	11.2
245.19104	8.6
247.16780	1.8
247.20621	6.2
271.16983	2.0
273.18570	3.2
283.26413	24.2
284.26788	2.0
289.18073	70.4
290.18369	7.7
291.19644	43.9
292.19965	4.0
307.19122	100.0
308.19373	7.7
315.04706	2.2
419.25406	1.9
456.87943	1.6
465.20648	1.4
470.62079	1.5
599.31952	30.3
599.40662	3.2
600.31970	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	600.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01299	0.7
57.03301	0.8
58.02840	1.6
59.01253	9.7
67.01758	0.8
68.99686	5.2
69.03331	4.0
70.82871	1.6
70.83270	1.5
71.01249	8.6
72.99176	0.8
77.63311	0.7
79.95605	7.9
81.03290	0.8
83.01244	1.0
83.04875	1.0
85.02834	2.9
87.00761	3.6
89.02312	5.5
89.27579	0.8
93.03326	8.2
95.01263	8.1
96.95885	100.0
97.02822	2.6
101.02318	13.1
104.41896	0.8
108.04446	5.9
109.02843	3.0
109.04795	0.8
111.00742	1.2
111.04386	1.8
113.02335	2.0
119.03362	2.5
121.02836	4.6
123.04412	10.0
124.03883	0.9
125.02327	0.9
127.03963	0.9
132.04434	2.6
135.04442	2.5
137.02324	5.0
139.03906	1.5
140.03424	6.7
143.03409	0.9
149.02321	1.4
150.05548	6.2
151.03915	1.1
152.03453	1.1
155.03409	29.2
156.03668	0.9
161.06009	0.9
163.03882	1.3
165.05446	0.9
168.06584	2.6
173.04326	0.8
179.05511	1.8
180.06555	1.3
188.09213	4.0
191.03792	1.2
191.05496	7.0
191.06978	1.1
212.05568	5.3
214.88150	0.7
217.05008	0.9
235.06155	2.1
241.06898	1.1
242.30150	0.7
250.07022	0.9
279.05103	3.0
279.08722	2.4
281.08102	0.8
310.09448	1.0
311.07669	2.1
336.07071	1.8
354.07736	0.9
364.51859	0.9
368.09866	2.6
406.11319	0.9
429.13974	1.1
568.16602	5.0
600.19354	33.5
601.15784	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	600.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92843	0.8
58.02850	13.9
59.01234	3.4
61.72382	0.9
61.98682	2.8
66.03353	3.0
67.01755	0.9
68.04935	1.0
69.03308	1.1
71.01237	2.9
72.00762	1.0
72.99194	1.3
74.02339	26.0
81.04456	1.9
82.02852	2.9
84.04424	1.4
85.02838	1.9
86.02354	12.3
86.05981	2.9
86.98946	1.9
87.00726	1.4
87.05495	4.5
93.03323	5.2
96.64162	0.9
96.95905	6.7
97.03945	2.1
99.05517	23.7
100.00233	3.2
101.02296	2.0
101.07071	3.2
102.05476	4.4
109.03961	3.3
109.07646	1.6
111.04406	1.3
111.05527	2.5
112.03908	2.5
113.07071	1.1
115.00210	1.3
123.05548	2.0
125.03434	3.1
127.05009	3.4
128.03423	64.5
129.03772	2.2
133.02863	1.4
135.04536	1.4
135.05536	7.5
137.07120	1.0
139.03865	0.9
141.06613	2.6
143.04523	87.9
144.04866	2.4
145.06093	4.2
146.04495	9.5
149.07108	1.9
153.06563	4.5
153.09238	1.5
155.14336	1.8
166.09726	3.1
167.04529	3.8
167.08180	6.7
169.06128	1.9
170.03200	2.2
171.04010	1.3
171.10153	4.5
173.04507	5.0
173.05873	1.4
179.03015	1.4
179.04543	22.1
181.06123	2.5
185.05608	3.5
187.07713	1.9
187.29369	1.0
191.05530	12.9
192.05650	1.2
192.07626	2.0
197.05565	6.1
201.05434	1.0
209.11691	2.8
210.08774	17.8
210.11984	1.0
211.13499	1.1
215.07150	1.7
217.42744	1.1
217.44917	1.1
228.09930	2.4
249.22195	2.1
254.07793	52.3
255.08072	2.1
272.08875	100.0
273.09109	4.0
293.21274	2.4
324.13538	1.2
327.20013	8.4
471.25238	7.4
582.28711	6.3
583.29108	1.3
586.34723	1.2
600.29590	48.9
601.29932	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	601.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43373	0.2
59.01254	1.8
66.51454	0.2
67.01738	0.2
68.99689	0.7
69.03323	0.6
71.01237	1.5
71.58787	0.3
72.99182	0.2
79.95605	7.9
79.96082	0.4
80.96365	0.3
82.01203	0.2
85.02824	0.6
87.00761	0.8
89.02317	1.1
92.09915	0.2
93.03329	1.7
93.94628	0.2
94.03664	0.2
95.01273	0.8
95.95104	0.3
96.95884	100.0
97.02801	0.4
97.95810	0.3
101.02316	1.8
108.04402	0.4
109.02857	0.5
110.97446	0.4
111.00732	0.4
111.04392	0.3
113.02317	0.4
119.03394	0.4
121.02822	0.9
123.04408	1.3
135.04382	0.4
137.02359	1.3
138.02751	0.2
140.03363	0.5
150.05498	0.6
151.03909	0.5
155.03418	2.6
156.03728	0.7
161.02324	0.2
165.01697	0.2
173.04446	0.4
179.05421	0.3
188.09190	0.5
191.03558	0.3
191.05492	1.9
212.05540	0.3
213.05864	0.2
278.74255	0.2
279.08609	0.5
281.08148	0.6
311.07755	0.3
315.12195	0.3
476.16556	0.7
569.16876	0.2
601.15790	32.2
602.16125	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	601.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	57.9
70.16029	10.2
71.01251	51.5
72.99188	3.6
73.01957	2.8
75.33760	3.1
79.95600	3.8
85.02824	8.5
85.16753	3.0
87.00748	9.6
89.02315	49.8
93.03333	6.9
95.01276	3.4
96.95873	16.8
101.02324	34.2
107.14396	3.7
113.02301	22.2
116.87157	2.9
119.03389	29.9
119.50507	3.0
121.02839	8.9
122.03639	14.7
136.01460	3.6
137.02292	3.3
137.23746	2.9
143.03419	4.8
149.02333	37.7
149.04367	3.3
150.03130	100.0
153.01888	2.9
153.67201	3.1
161.04456	9.3
164.04733	9.8
165.01797	3.6
165.04097	5.5
165.05479	91.7
177.01854	40.4
179.05493	14.7
180.04204	7.1
181.05022	6.3
192.04190	23.4
195.02913	8.7
195.06554	37.4
207.06462	8.2
210.05208	5.2
225.07661	9.6
316.09729	5.8
331.11859	18.2
363.30795	3.2
368.66809	2.9
387.13037	20.2
391.14032	15.3
553.19226	67.4
554.19550	6.7
601.22113	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.7
59.01249	1.9
71.01270	0.8
78.95788	2.1
121.10123	4.3
123.04397	3.6
123.08044	6.1
125.09548	1.4
137.09615	1.2
139.11197	2.9
142.02644	1.3
145.02907	1.1
151.11188	2.9
155.14296	2.2
171.10173	14.0
172.50568	1.1
177.12694	1.7
183.13838	1.4
199.13309	14.3
199.63068	1.0
201.11250	1.6
213.11298	1.3
215.12711	1.5
224.18414	0.9
230.59724	1.0
231.21153	1.1
233.15663	1.0
245.11476	0.9
245.19037	7.6
247.16957	1.1
258.43701	1.1
271.16901	1.2
275.20172	16.3
276.20511	1.8
279.23413	1.0
289.18085	57.2
290.18423	4.4
293.21207	20.5
294.21561	1.5
307.19122	100.0
308.19479	6.5
309.20810	4.7
325.20078	2.3
429.30237	1.3
526.11066	1.1
583.40295	1.9
601.31866	1.8
601.41052	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	601.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87360	0.5
57.03323	1.6
59.01232	0.8
69.89018	3.0
75.93666	0.5
79.36217	0.6
97.02792	0.6
98.20512	1.3
99.90328	0.5
107.08547	1.9
117.03339	6.9
119.04893	0.6
121.02811	0.7
123.04345	1.0
123.08015	1.1
125.09598	1.1
137.09604	0.9
139.11194	2.7
145.02859	21.9
146.03157	1.0
151.11179	1.9
167.10680	1.1
171.10190	0.8
177.12761	0.6
177.26788	0.6
183.10249	1.3
185.11784	1.7
193.15945	0.8
195.13876	1.0
199.13327	1.3
201.11189	0.7
213.11240	1.1
221.11751	1.3
223.13306	0.8
227.12907	0.7
239.12840	1.1
240.13629	1.9
247.20625	4.1
247.40547	0.6
263.20142	0.8
273.18500	1.4
291.19644	55.2
292.20099	3.9
309.20685	100.0
310.21021	6.4
453.08774	0.6
583.39825	1.6
601.38995	26.2
602.39282	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	603.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.5
59.01249	100.0
60.01571	0.5
64.85580	0.4
69.03309	0.7
71.01247	2.0
71.35969	0.8
73.02814	0.6
78.95780	0.6
80.57978	0.4
83.04938	0.4
85.02838	1.7
87.00761	1.2
89.02318	2.0
90.92680	0.5
93.03316	3.5
96.95883	1.9
99.00725	0.4
101.02325	1.3
109.02882	0.6
111.04418	0.8
113.02350	0.8
119.04898	4.2
123.04400	0.4
126.87793	0.4
133.02881	0.5
135.04427	1.4
137.02356	0.9
145.02879	1.3
147.04407	0.4
161.04530	0.5
163.00304	0.6
163.03903	0.4
173.04436	2.0
175.03958	0.7
176.01122	1.1
177.01785	0.6
179.03423	0.7
185.11823	0.5
189.01938	0.9
190.99774	4.5
191.05524	11.5
192.00522	0.5
192.05937	1.1
209.11754	0.8
213.09085	0.5
251.03563	0.5
305.04523	0.5
323.05756	0.8
351.01459	1.1
366.03873	1.6
367.04660	1.4
381.06100	10.4
381.10751	0.5
382.06717	0.9
418.81769	0.4
529.09937	5.3
530.10370	0.7
543.24597	0.5
603.21460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37877	2.2
59.01253	41.9
61.98693	8.3
64.77187	2.3
67.01755	3.3
71.01243	8.5
71.58520	3.5
74.16486	2.4
75.00730	4.3
81.03311	4.7
83.04874	4.4
84.23626	2.2
85.02804	13.1
87.00762	6.2
89.02309	5.8
93.03333	23.5
96.95878	9.0
101.02320	4.1
109.02850	4.3
111.04393	4.5
127.03871	2.6
135.04430	11.7
155.03377	3.1
163.11177	5.9
171.10133	6.8
172.05045	2.1
173.04469	20.8
173.05869	4.7
191.05530	78.5
192.05945	5.7
203.07030	2.6
209.11752	100.0
210.12003	4.0
215.07005	5.8
227.12859	13.6
506.09195	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	603.4051
Annotation	3-O-(E)-Caffeoylbetulin
Peak:m/z	Relative Intensity
50.53543	0.6
65.85597	0.6
70.45894	0.9
70.46243	2.2
78.95746	0.6
89.50121	0.6
95.27777	0.7
102.19375	0.6
116.40822	0.6
117.03345	25.1
118.03686	1.3
119.04890	3.0
120.80693	0.7
121.02828	2.7
123.04375	0.8
123.92623	0.6
128.22726	0.7
145.02852	81.3
146.03217	3.5
162.03082	1.2
163.03976	1.0
255.23257	0.7
291.19522	1.4
303.35114	0.7
309.20917	0.8
310.20767	0.8
311.21854	0.9
401.69095	0.7
603.40527	100.0
604.40863	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	603.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33261	0.7
61.98701	0.7
62.38714	0.8
70.97112	1.6
70.97457	1.1
74.19643	0.8
78.95778	1.5
90.87590	0.7
93.94338	0.7
97.06449	1.2
100.74068	0.8
117.03339	21.6
118.03674	1.3
119.04925	2.8
121.02802	2.7
123.04350	1.4
145.02847	74.1
146.03165	2.2
163.03938	1.1
179.68263	0.7
451.34775	0.8
476.31671	0.8
603.40485	100.0
604.40771	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	605.2405
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
61.16976	0.4
71.13921	0.5
73.11901	0.6
74.91755	0.6
145.02907	0.8
193.04048	0.6
396.52716	0.5
415.15253	1.0
416.16846	0.8
429.17352	0.7
430.17920	1.6
443.19263	1.2
457.20538	0.9
458.21066	0.6
459.17477	2.8
460.18808	0.7
471.18207	1.9
472.18845	1.0
473.19653	5.3
474.78250	0.5
485.19440	2.1
485.24808	0.7
486.20789	4.1
487.21436	1.1
499.17255	2.5
500.17908	1.0
501.22809	2.7
502.20538	0.6
511.21750	2.7
512.21954	0.7
513.19299	3.0
514.20105	11.4
515.20575	1.5
517.18109	0.6
518.19775	1.9
528.22125	1.1
529.22424	100.0
530.22723	16.8
532.21155	1.8
533.22015	2.7
561.25116	1.1
573.21057	0.7
604.40948	0.6
605.23785	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	605.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.6
69.85609	1.8
78.95776	0.3
89.89025	0.3
93.03327	4.6
95.04875	0.5
96.89956	0.3
97.06477	0.6
114.38389	0.3
125.05975	0.7
126.56041	0.3
141.09076	0.5
148.08815	1.7
150.10394	1.6
151.11163	0.8
163.11189	1.1
165.12755	27.5
166.13156	0.8
175.11270	0.5
176.11984	0.4
177.12793	0.6
179.14413	0.4
180.24791	0.4
191.14281	0.7
212.28503	0.3
217.15900	0.6
229.19429	0.4
244.10751	6.9
245.11209	0.5
245.19110	0.4
247.20630	14.5
248.20903	0.9
273.18591	6.8
274.18970	0.8
291.19644	100.0
292.19974	7.7
313.17841	25.2
314.17999	1.6
365.11578	0.3
605.38214	28.8
606.38458	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	606.3855
Annotation	Roseocardin
Peak:m/z	Relative Intensity
54.87100	0.4
55.01751	1.2
57.03314	1.5
58.00460	4.1
59.01248	100.0
60.01582	1.0
61.98704	5.5
62.38268	0.4
67.01763	0.5
69.03358	0.6
70.02843	1.5
70.70544	1.0
71.01249	59.6
72.01576	1.0
72.99171	4.9
73.02815	1.3
73.71382	0.4
78.30585	0.5
78.95777	0.6
81.03366	0.6
83.01260	3.6
83.04886	2.0
85.02814	10.4
85.06451	1.7
86.02334	1.0
87.00762	3.3
88.03914	1.6
89.02311	67.1
90.02645	0.8
93.03340	0.6
95.01263	3.5
95.04916	0.5
96.95895	1.0
97.02814	0.7
97.06435	0.6
98.02367	1.4
99.00703	0.4
101.02317	40.4
102.19460	0.4
108.08094	4.3
109.06381	0.5
113.02325	22.9
114.02634	0.6
115.07520	1.2
119.03381	34.0
120.03822	0.5
124.07592	0.7
126.09132	6.9
131.03377	3.4
135.02919	0.5
136.07553	0.7
138.09143	2.3
143.03404	5.9
149.04437	2.4
154.08659	0.9
156.10194	2.3
161.04471	5.3
166.08595	2.3
173.04451	0.7
179.05528	14.8
184.09734	1.8
191.05504	1.7
209.11751	0.7
211.20566	3.0
220.62445	0.4
239.20114	1.8
241.21689	11.1
242.22020	0.7
269.21185	0.9
271.22763	0.5
286.23837	1.6
287.22296	5.3
310.23547	0.5
312.25430	4.5
313.25824	0.8
328.25031	1.9
336.16541	0.6
341.25449	0.6
378.30157	0.8
396.31046	1.4
408.31235	3.9
409.31412	0.6
426.32227	41.4
427.32544	6.1
444.33255	18.6
444.39560	0.8
445.33627	2.7
606.38538	69.1
607.29773	0.9
607.39014	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	607.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	52.4
67.01756	8.6
68.99682	43.5
69.03327	23.7
69.42036	1.6
70.33456	7.5
71.01251	41.0
72.99165	6.3
73.02818	5.7
75.00762	9.6
75.01122	1.8
81.03339	2.9
83.01261	2.8
83.04858	2.5
85.02834	10.5
86.85982	1.7
87.00751	23.6
89.01810	3.1
89.02317	37.6
91.05402	2.7
93.03336	20.2
93.75455	1.8
93.99126	1.7
95.01255	5.6
95.04890	7.1
96.95865	2.5
97.02822	5.9
99.00756	4.3
99.04369	3.3
99.66872	2.1
101.02318	100.0
107.04890	11.6
109.02828	13.2
111.00756	2.8
111.04382	7.1
113.02345	13.9
117.03278	1.9
119.03439	11.2
119.04903	23.5
121.02834	20.7
123.04397	7.9
125.02322	4.4
125.05962	3.4
127.03901	26.4
131.03369	2.1
135.02850	3.2
135.04396	14.8
137.02304	6.2
137.05956	4.5
139.03915	3.9
145.02820	5.8
145.06450	3.4
147.04422	10.8
149.02330	9.7
149.05998	6.1
151.03926	12.6
151.07550	2.0
153.01833	2.5
153.05444	8.2
159.04427	4.3
161.05832	2.2
163.03908	48.0
163.07613	1.9
164.04280	2.3
165.05479	8.3
173.02333	2.9
173.05977	3.3
175.03880	4.8
175.07472	2.6
177.01935	3.8
177.05461	11.4
179.03378	3.6
179.05498	4.5
179.07028	2.8
181.04996	15.7
189.01776	5.1
189.05470	2.3
191.03439	36.0
191.05389	2.8
191.07106	4.4
193.04935	8.1
195.06555	29.9
203.03381	6.4
203.06984	4.3
205.05006	8.6
207.02826	6.1
207.06502	4.4
209.04549	4.4
213.07607	3.9
217.04993	5.0
219.06451	2.2
221.04449	5.0
223.06038	28.1
233.08080	2.3
235.02432	7.8
235.05946	10.6
237.07611	1.9
245.04588	2.2
253.07237	2.3
255.06656	2.2
263.05539	2.8
267.05130	20.8
277.07065	2.7
287.09161	3.3
289.03470	2.4
293.10187	4.2
295.08121	3.1
423.12787	2.9
441.14072	2.1
455.15582	3.9
457.13263	6.5
485.16568	3.3
487.14615	10.5
499.14557	87.3
500.14859	9.7
509.16339	2.5
511.14435	2.6
517.15564	32.2
518.15955	3.5
529.15369	14.3
547.16455	7.4
571.16266	3.2
589.17389	7.0
607.18622	35.3
608.19391	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	607.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
57.67208	1.5
58.00465	3.0
58.99456	4.0
59.01248	56.8
68.99675	5.0
69.03318	5.1
69.88638	8.4
71.01247	53.1
72.99173	4.0
73.02798	6.6
75.00745	1.7
81.03339	3.3
83.01248	3.8
83.04888	6.9
85.02812	11.8
87.00748	81.0
89.01752	2.4
89.02308	45.5
89.37284	1.5
93.03339	2.9
93.06543	1.5
95.01254	4.2
96.95903	1.9
97.02824	5.4
98.19873	2.1
99.00742	3.7
101.02318	37.0
109.02833	3.3
111.00700	1.9
113.02319	18.3
119.03396	13.4
119.04951	1.4
123.04398	2.4
125.02286	7.3
127.03880	1.7
129.01845	1.7
131.03371	3.5
135.04437	1.9
143.03369	6.1
149.04530	1.8
151.03867	2.2
153.09093	1.6
155.03409	5.3
161.04424	8.0
163.11215	4.3
165.09090	5.9
165.12770	2.7
179.05525	13.2
191.03745	2.1
191.05534	2.9
205.12277	7.5
209.04779	3.7
209.11758	100.0
210.12056	3.7
221.06551	3.2
235.08224	10.2
253.09299	1.8
280.62625	1.9
287.07629	2.0
385.18723	8.7
397.13434	34.1
398.13760	2.0
415.14612	18.5
499.14413	3.1
547.24255	7.6
589.17767	3.3
607.18317	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	607.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	88.1
59.08033	4.7
69.80771	28.7
71.01250	66.6
73.02818	13.6
84.42875	4.7
85.02826	9.4
87.00771	7.6
89.02309	96.8
96.23233	5.0
98.20484	6.0
101.02320	78.8
113.02345	29.2
119.03386	34.7
131.03392	8.7
143.03381	9.1
161.04474	19.3
179.05516	100.0
191.05475	8.8
209.11778	14.3
221.06535	28.5
221.11917	5.2
236.56462	5.9
269.60553	5.3
283.56146	5.6
327.79993	4.9
349.83084	6.4
397.13278	8.6
451.18921	6.5
547.24194	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	607.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74013	2.2
59.01246	100.0
68.99667	5.3
69.03318	4.9
69.94106	8.2
69.94510	3.9
71.01239	8.6
74.61629	2.2
83.01307	2.6
85.02840	2.3
87.00733	12.2
89.02308	10.0
95.04848	2.9
96.95918	3.7
97.06451	7.9
101.02331	15.8
105.48589	2.5
112.50845	2.4
113.02313	4.4
119.03475	2.7
121.02835	4.6
122.96740	2.5
123.04409	3.0
127.03902	3.4
135.04387	4.5
139.07526	6.2
141.05371	3.2
147.04417	3.1
153.05415	2.9
157.08612	45.6
163.03905	5.0
177.05515	2.7
181.05016	2.7
191.03419	3.1
195.06519	5.7
201.07603	77.3
217.93037	2.5
267.05127	3.6
318.55051	2.6
499.14587	10.7
517.15656	7.0
529.15845	3.0
543.32141	2.7
607.18176	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	607.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00438	2.8
59.01246	83.4
61.98688	1.8
67.01742	2.0
68.99657	1.8
69.03305	2.7
71.01249	63.0
71.58779	2.9
72.99175	6.7
73.02816	10.7
75.00738	3.3
83.01254	2.1
85.02806	17.1
87.00760	12.6
89.02312	99.9
93.03323	10.9
96.95882	26.7
97.02819	1.8
99.00756	2.4
101.02316	52.7
109.02813	2.4
110.14285	1.6
111.04402	2.3
113.02334	12.7
115.00230	1.5
119.03398	10.6
125.02337	2.8
127.03891	1.8
130.92180	1.6
131.03389	40.6
135.04367	4.6
143.21002	1.6
149.04449	100.0
161.04422	2.8
165.05457	1.7
173.04462	7.3
179.05598	2.1
191.05528	53.0
192.05902	4.1
193.06091	2.1
209.11726	11.3
209.25392	1.6
265.07581	1.9
275.79758	1.6
293.08539	2.0
305.09021	2.0
397.13382	5.3
415.14648	2.0
547.28058	7.8
607.33630	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	609.1451
Annotation	6-Hydroxykaempferol 3-rutinoside
Peak:m/z	Relative Intensity
55.01733	0.8
59.00991	1.3
59.01253	19.1
59.07634	0.9
59.32096	0.8
60.01574	1.3
65.00177	1.0
69.03315	1.2
71.00889	1.1
71.01257	15.8
71.58788	1.4
72.01588	1.7
72.99166	2.4
73.02803	3.5
74.98959	1.4
78.82182	1.0
80.96340	0.9
81.03323	2.0
83.01232	3.1
83.04875	4.1
85.02821	4.7
87.00765	5.6
88.04658	0.8
89.02317	14.5
89.51089	1.0
90.02631	1.5
93.03320	3.6
94.25521	0.8
95.01222	1.1
96.95876	1.6
97.02806	1.6
99.00751	1.2
101.02326	14.7
102.02636	2.2
103.83564	0.8
107.01247	1.5
108.02045	1.9
109.02849	2.1
111.04388	1.0
112.26894	1.0
113.02332	7.1
119.03369	3.5
121.02811	2.9
123.04436	1.0
125.02302	4.7
126.02651	1.0
136.99074	0.9
143.03375	1.7
148.01538	1.3
151.00272	8.6
152.03346	1.3
155.03487	1.3
161.04448	2.5
163.00246	2.8
163.03802	0.9
163.11212	2.0
164.11487	1.3
165.12817	1.2
173.04527	1.5
175.03886	1.2
178.99802	6.5
179.05469	2.5
179.10687	1.0
187.03987	1.9
191.05531	10.5
209.11766	42.2
210.12129	26.8
211.03882	1.4
211.12245	7.0
216.03972	1.1
217.81194	0.8
219.02927	0.8
226.02676	1.3
227.03360	3.5
229.04988	1.4
235.08157	2.6
243.02994	9.9
245.04449	1.2
254.02203	2.1
255.02960	31.7
256.03296	1.4
271.02469	61.4
272.02966	5.0
283.02246	1.4
299.01907	2.7
300.02734	100.0
301.03433	27.6
302.03943	2.4
397.13583	9.6
398.13815	11.7
399.14050	9.5
415.14578	4.0
416.15048	7.1
417.15063	4.6
495.88330	1.1
549.29352	1.2
563.88281	1.0
609.14496	73.0
609.22217	2.8
610.14850	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	609.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63715	0.8
55.52657	0.9
57.03307	2.5
58.00456	1.1
59.01247	73.2
59.84654	0.8
61.98694	6.3
67.00758	1.0
67.01777	1.5
68.99684	14.4
69.03318	11.0
71.01249	39.4
71.35824	1.3
71.50291	1.0
72.99166	4.0
73.02811	3.2
75.00740	10.6
80.28277	0.9
83.01252	1.9
85.02820	30.3
87.00744	3.0
89.02312	46.4
93.03326	2.8
95.01273	6.1
96.95893	1.2
97.02833	2.1
99.00746	2.0
101.02317	52.5
105.01814	1.3
109.02791	1.2
111.00736	1.7
113.02324	100.0
114.02650	3.2
115.00238	2.3
119.03389	15.0
119.04771	0.8
121.02812	1.6
123.04420	10.8
125.02311	2.7
127.03872	3.9
131.03384	2.4
132.91733	0.9
133.01315	1.2
135.04460	0.9
137.02277	0.9
143.03389	12.3
145.01302	1.7
149.02325	2.6
149.04373	1.0
150.03130	4.7
151.03918	4.1
155.03409	22.1
161.04457	8.1
162.73921	1.0
165.01852	1.7
165.05476	8.2
169.04977	2.4
173.04472	0.9
176.01073	11.1
177.01709	1.0
179.05521	30.6
180.04155	1.0
180.05800	1.5
191.03416	17.2
191.05482	4.3
195.06526	12.4
209.04539	1.7
210.12309	0.9
221.03145	1.2
221.06586	2.7
225.07574	4.9
227.05528	6.4
253.04649	1.3
283.02335	1.8
284.90790	0.9
285.99240	1.0
297.09796	8.6
298.10095	1.3
305.04483	1.4
317.08728	3.3
339.08777	2.1
384.43082	1.1
387.13144	7.2
459.15063	5.2
549.18042	1.4
549.25500	4.6
552.68005	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	609.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.3
59.01254	46.5
61.82478	1.8
62.18349	1.7
68.99696	12.9
69.03320	10.3
69.47607	16.6
71.01254	36.3
72.99159	3.9
73.02827	2.5
74.91584	1.9
79.70587	1.9
85.02821	31.1
87.00751	6.7
88.21874	2.1
89.02317	46.1
93.03336	5.3
95.01244	6.2
96.95893	1.8
97.02821	2.1
101.01691	3.3
101.02317	45.0
103.76048	1.7
111.00764	2.3
113.02328	100.0
114.02622	2.2
114.76448	1.8
119.03369	17.1
121.02881	2.1
123.04385	8.3
125.02386	2.4
126.23763	2.2
131.03371	2.1
143.03421	11.7
143.04382	2.3
149.02409	2.2
151.03932	3.3
155.03381	15.1
161.04448	5.9
165.05440	2.1
169.04926	4.1
176.00961	2.4
179.05516	29.8
188.26779	1.9
191.03587	3.8
191.05495	11.6
195.06514	3.9
221.06622	2.3
225.07648	3.0
227.05482	7.6
297.09744	7.0
388.04630	2.4
417.38654	2.6
459.15167	4.1
504.91852	2.0
549.25330	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	609.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	32.8
65.00172	6.1
68.99691	8.5
69.03328	6.0
69.26453	56.0
71.01245	43.9
73.02806	10.8
85.02813	16.1
87.00762	5.5
89.02308	32.6
90.37785	4.8
93.03308	9.7
94.17967	5.3
95.01266	8.8
96.95892	8.6
97.02905	6.6
98.04334	5.0
101.02316	56.4
107.01252	6.6
111.04461	5.5
113.02332	21.0
113.94586	5.2
121.02869	6.6
123.04408	13.5
125.02331	6.0
151.00291	20.9
155.03436	18.8
158.03499	6.0
161.04416	12.4
163.00244	12.4
165.01834	5.4
169.04929	7.5
174.03156	10.2
175.03737	5.6
178.99846	8.1
179.05466	10.3
187.03995	7.5
191.05563	26.7
198.03192	7.1
199.03905	10.1
201.01974	9.3
202.02632	8.9
203.03403	13.3
214.02710	8.7
215.03435	19.1
215.49881	5.8
217.01443	6.0
231.02928	11.0
241.01350	11.8
242.02129	14.8
243.02936	20.6
245.00830	6.6
257.00931	23.7
258.01660	23.0
259.02423	17.8
261.00467	11.5
269.00876	19.3
270.01480	7.6
271.02393	21.6
278.32257	6.7
286.01138	21.5
287.01974	70.8
297.00372	30.9
298.00958	11.1
299.01877	7.7
300.02881	9.0
301.03479	10.3
314.00720	24.4
315.01410	100.0
316.02200	15.6
335.28183	5.6
446.38406	5.7
471.14914	13.4
547.45807	5.8
581.11334	8.7
609.11145	46.0
609.24133	10.1
610.11749	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	609.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13754	6.5
50.26432	6.7
59.01247	93.6
71.01250	69.9
71.35004	10.8
72.88060	7.6
73.02805	10.4
73.77193	7.1
85.02818	17.6
87.00730	15.1
89.02312	63.4
99.00756	7.7
101.02334	44.5
102.05461	13.4
113.02321	34.6
119.03389	32.2
128.03439	11.7
128.75275	7.5
134.80896	7.4
143.03392	7.4
145.06064	8.7
146.04477	31.7
170.87508	7.1
179.05534	12.6
191.05550	10.3
237.21736	6.6
354.85651	7.9
398.88678	7.5
549.25403	100.0
550.25671	16.3
594.86578	7.9
605.03296	8.1
639.45911	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	609.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16216	0.9
57.03312	1.0
59.01258	4.7
66.38886	0.8
69.03307	1.0
71.01260	2.7
78.95757	1.8
81.99451	0.9
95.04887	3.7
96.95863	1.7
109.06474	2.9
113.47395	0.8
121.10113	24.7
125.09626	1.5
127.11201	1.6
149.09663	1.3
171.10164	68.8
172.10492	2.1
177.16443	2.5
183.13783	5.0
185.11690	2.4
193.08377	1.0
197.11888	1.3
207.10045	3.1
209.11765	1.6
211.13329	2.3
211.33199	0.8
223.13129	2.3
226.32077	1.0
229.83801	1.1
231.21121	6.7
233.11440	0.9
263.48306	0.9
267.12076	1.8
275.20117	87.9
276.20468	6.0
278.11316	9.9
293.21188	100.0
294.21582	6.6
297.18240	2.1
311.48697	0.9
315.19360	54.8
316.19760	3.1
329.17349	2.6
359.18417	12.0
487.29214	1.7
529.53082	0.9
543.86298	0.9
609.41235	73.1
610.41626	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	610.3719
Annotation	Enniatin J1
Peak:m/z	Relative Intensity
59.01233	21.7
71.01255	13.0
71.59088	7.6
78.95778	12.1
85.02822	6.9
86.85584	6.1
93.03337	8.2
96.95889	43.0
96.96842	8.9
101.02312	8.7
113.02288	8.3
167.02850	6.3
179.03360	7.0
191.05528	18.9
197.11757	15.1
198.12151	15.2
277.21695	8.4
311.22357	6.8
339.59897	7.1
400.94339	6.7
412.34259	20.8
516.89941	7.2
574.39478	33.0
610.37012	100.0
611.37421	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	611.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	45.8
70.16583	85.8
70.16975	100.0
75.25652	38.9
78.95792	99.5
80.96438	39.5
89.70670	44.2
94.72575	42.1
96.95890	53.0
173.04561	74.6
191.05573	99.5
204.30832	46.6
209.11789	50.7
275.84485	42.2
311.22095	77.6
581.56830	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	611.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.5
61.98693	3.4
63.02261	1.3
65.00179	3.3
68.99681	1.5
71.01240	3.3
71.58492	1.5
72.99160	1.5
84.38363	0.7
85.02832	2.2
87.22453	0.8
89.02318	2.1
93.03313	4.0
95.01250	3.0
96.95876	2.4
99.54368	0.9
101.02337	4.1
107.01264	3.8
109.02846	2.3
109.99968	10.1
111.00757	5.2
113.02348	2.3
121.02854	4.5
123.00748	3.8
123.04408	0.9
124.01544	3.3
125.02338	1.9
127.52858	0.8
134.03589	1.0
135.00821	0.8
135.04382	3.3
136.01534	1.0
136.98669	1.6
137.02356	4.7
137.99524	4.3
138.03076	1.3
138.76506	0.8
139.00258	10.6
139.84532	0.8
145.02800	0.8
145.06419	1.0
146.03696	1.0
147.04364	0.9
148.01561	1.3
149.01241	0.9
149.02357	14.1
151.00262	12.2
151.03870	1.6
152.01071	8.0
155.03389	1.0
159.04410	1.4
161.02328	2.1
163.00276	1.9
163.03879	2.4
164.01041	2.8
164.04720	8.5
165.01833	15.8
165.98978	11.4
166.02635	4.3
166.99756	3.6
169.01331	1.4
169.04924	1.1
171.04407	2.2
171.58727	0.8
173.02350	1.1
173.04489	1.6
174.03172	1.2
175.00308	1.2
175.03864	1.9
177.01799	1.0
177.05388	0.9
178.99785	13.6
179.03386	2.7
179.05580	1.0
179.07109	2.0
180.04175	10.5
181.04959	6.8
185.02338	1.3
187.03864	3.2
188.04468	1.5
189.01852	1.5
190.02623	1.6
190.99757	1.0
191.05591	8.6
193.01338	8.0
194.99245	1.3
195.06564	13.2
197.02348	1.1
198.03099	1.8
199.03874	3.2
201.01773	2.6
201.11972	0.8
202.02502	0.9
202.43135	0.9
203.03400	2.7
204.14423	0.8
205.05101	1.2
207.99895	0.8
208.03687	14.5
209.04153	0.8
210.05229	2.4
211.04219	1.1
211.06093	8.3
213.01878	1.5
214.02631	3.3
215.03378	3.2
216.04102	1.1
223.06059	31.9
224.06346	1.1
225.07603	13.3
225.11203	1.3
226.02574	1.4
227.03433	6.0
229.01315	1.7
230.02106	0.9
231.02890	3.4
232.03624	1.3
237.07632	1.2
241.01350	1.5
242.02158	5.2
243.02962	7.6
244.03575	2.4
255.03026	6.3
259.02463	3.9
260.03098	1.1
265.06995	3.7
270.01694	8.7
271.02469	44.2
272.03156	7.5
273.03876	2.6
287.02005	20.7
287.05362	2.1
288.02557	7.4
298.01135	3.4
299.01947	52.0
300.02417	4.8
300.31860	0.8
301.03537	1.2
315.01462	6.9
316.02209	100.0
317.02869	24.4
318.03400	1.3
401.12268	2.5
449.14691	20.8
450.15005	1.9
491.15317	1.1
567.13733	1.0
593.11432	2.7
611.12415	88.4
612.12970	11.9
626.21478	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	611.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95216	1.1
59.01247	3.2
68.99672	1.4
70.57879	3.9
76.92053	1.2
85.02808	1.5
93.03348	4.2
101.02299	2.4
109.02839	1.3
111.00681	1.2
113.02406	2.1
121.02822	7.7
134.03606	1.8
135.04440	5.9
137.02333	7.0
137.10049	1.2
138.03123	3.3
139.03914	1.9
149.02344	46.8
150.03073	1.4
151.03900	3.5
152.01056	8.5
155.03442	1.2
163.03891	8.8
164.04692	43.8
165.01833	60.5
166.02608	21.5
167.03273	1.3
169.04938	5.2
173.04430	2.0
175.00209	1.3
177.05473	2.7
179.03452	10.0
179.07047	10.4
180.04199	37.3
181.04977	24.5
190.02693	2.1
191.03590	1.6
191.05537	6.5
193.01340	25.5
194.05794	2.3
195.06555	42.1
196.06871	1.5
202.86687	1.1
205.05032	2.6
206.05826	4.3
207.02963	3.4
208.03706	56.9
209.04030	2.0
210.05244	9.8
211.06052	21.9
221.08258	1.5
222.05336	4.1
223.06062	100.0
224.06458	4.7
225.07622	27.2
237.07524	2.7
250.04829	1.4
265.07162	13.5
291.90771	1.1
327.08881	2.3
342.10886	2.7
401.12384	4.0
411.50082	1.3
449.14487	55.2
450.14905	6.6
491.15643	2.5
611.19885	4.0
635.55231	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	611.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.0
61.91050	0.4
67.01753	0.6
67.64900	0.4
69.64640	0.3
71.00892	0.3
71.01241	2.4
73.02839	0.5
85.02830	1.2
87.00764	0.4
89.02314	1.4
89.85382	0.4
93.03300	2.1
95.01235	0.5
96.95892	0.5
101.02315	1.2
109.02844	0.7
113.02340	1.7
119.03407	0.5
121.02850	4.9
123.04388	0.5
134.03586	0.6
135.04416	2.8
137.02332	5.8
138.02943	0.5
140.41110	0.4
149.02341	22.0
150.02751	0.9
151.03871	0.6
152.01054	4.9
152.29839	0.4
161.04434	0.8
162.03076	0.5
163.00279	0.5
163.03926	5.2
164.01103	0.8
164.04691	14.2
165.01836	41.5
166.02354	1.7
166.94434	0.3
167.03354	0.7
168.02939	0.4
169.04958	2.3
170.05606	0.4
173.04408	0.6
177.05478	0.6
179.03406	7.5
179.05600	0.7
179.06958	4.7
180.04199	26.5
181.04785	1.7
190.02545	0.8
191.03516	0.5
191.05515	3.1
193.01343	14.1
194.05777	1.1
195.02843	1.1
195.06549	33.6
196.06931	1.3
205.05048	0.8
206.05775	0.6
208.03708	28.4
209.04089	1.5
210.05264	5.8
211.06003	2.0
221.08171	0.5
223.06058	100.0
224.06439	3.7
225.07622	42.0
226.08000	2.2
237.05539	0.4
250.04733	0.4
255.20656	0.4
265.07132	3.2
306.58472	0.4
315.22232	0.4
327.08798	0.7
339.57147	0.4
401.12378	7.4
401.17096	0.3
402.12811	0.7
449.14478	17.2
450.14810	1.6
551.27264	1.8
590.68604	0.5
595.49402	0.5
611.20038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.5
67.01754	1.5
71.01257	6.2
72.99188	1.4
75.00742	1.7
80.18395	1.3
85.02827	2.8
87.00748	3.7
88.00270	2.2
89.02313	4.9
90.01885	1.2
93.03340	5.3
95.01252	1.9
96.95921	1.5
99.85493	1.2
101.02316	3.8
111.00717	1.2
113.02338	4.5
120.99543	3.5
121.02811	6.7
133.02808	2.1
133.15346	1.3
134.03654	2.0
135.04408	7.1
137.02354	7.7
138.03125	4.4
139.03853	1.5
147.04419	1.7
149.02342	45.1
149.03535	2.4
151.03902	3.6
152.01079	8.1
153.01895	1.6
163.03867	6.7
164.04686	34.8
165.01837	68.9
166.02652	19.1
167.03297	1.3
169.04944	3.2
173.04466	3.4
175.00282	2.3
177.05450	2.2
179.03371	11.6
179.07005	9.5
180.04185	47.9
180.07455	1.6
181.04965	29.4
183.31076	1.4
190.02606	3.0
191.03621	1.9
191.05522	20.7
193.01349	13.9
194.05740	2.3
195.02869	2.7
195.06540	56.3
196.06825	3.4
205.04980	5.3
206.05817	3.9
207.02934	2.5
208.03702	44.2
209.04117	1.4
210.05269	10.6
211.06041	33.2
221.08083	2.1
222.05336	4.3
223.06055	100.0
224.06416	3.5
225.07610	40.8
225.09760	2.7
237.07555	1.6
247.06087	1.7
265.07153	18.8
296.96167	1.3
330.10855	1.3
361.18750	1.8
431.13638	1.7
449.14499	86.6
450.14642	9.2
491.15652	4.3
611.19708	14.6
611.27429	4.0
612.20398	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	611.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60365	1.0
55.64114	1.0
59.00979	2.1
59.01249	18.2
61.98696	1.9
67.01769	1.8
69.03331	3.3
71.01241	13.6
72.99171	2.5
73.02804	3.2
74.98943	1.5
75.00728	2.6
76.96439	1.2
83.04902	1.2
85.02810	9.0
87.00742	6.3
89.02312	9.0
90.02702	1.2
91.01740	3.1
93.03333	11.6
95.01227	1.3
96.95883	4.3
97.02823	1.7
99.00771	1.3
101.02332	9.9
109.02840	3.8
111.04409	2.0
113.02312	4.0
119.03353	2.3
120.99508	1.2
123.86052	1.2
125.02360	1.8
127.03814	1.5
134.03624	1.2
135.00792	6.0
135.04399	2.7
137.02362	1.4
142.52724	1.3
151.11194	12.4
153.01830	5.1
155.03381	2.8
158.93376	1.3
161.04466	1.2
169.12250	79.6
170.12648	2.2
173.04468	10.5
174.03137	1.2
179.05600	1.7
191.05536	46.0
192.05884	2.5
213.09349	1.5
213.11267	16.7
214.11557	2.0
287.11966	2.1
305.04492	1.3
404.65475	1.3
415.14664	2.0
419.11841	1.4
437.12476	1.2
443.11880	5.6
489.17801	1.3
567.34155	1.6
611.25543	100.0
612.26239	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	611.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.4
57.03320	1.5
58.00475	0.7
59.01248	16.4
67.01776	0.6
69.03323	1.4
71.01250	12.5
71.35780	0.5
72.99162	1.9
73.02818	1.9
74.98964	0.5
75.00741	0.7
83.01242	1.3
83.04890	0.7
85.02818	4.7
87.00750	4.2
87.25182	0.3
89.01757	0.5
89.02312	9.3
91.77756	0.3
93.03345	2.8
95.01257	0.7
95.04896	0.5
96.95906	1.2
97.02818	2.0
97.06472	2.6
99.00756	1.0
101.02321	9.0
101.02988	0.6
109.02831	0.6
111.00781	0.6
111.04411	1.0
113.02316	4.5
115.03924	0.4
116.03410	0.5
117.36229	0.4
118.77962	0.3
119.03398	2.6
120.99509	0.5
121.02892	0.3
125.02332	2.0
127.03864	0.3
129.01784	0.4
131.03429	0.5
135.04417	0.9
136.99022	0.7
137.02353	0.6
143.03377	0.8
145.10902	0.3
149.04451	0.4
151.11183	10.6
152.11491	0.6
155.03360	0.5
161.04456	1.3
169.12250	61.2
170.12578	3.2
173.04489	2.1
179.05565	1.1
185.04433	0.4
187.07469	0.4
191.05539	12.4
192.05812	0.8
195.10191	1.1
209.11646	0.4
213.11263	15.0
214.11603	0.5
221.06575	1.1
226.73434	0.3
233.58954	0.3
235.08180	1.0
237.07790	0.4
249.06064	0.7
253.09192	0.6
287.15039	0.4
326.49338	0.3
348.75708	0.4
397.13528	1.8
415.14603	2.3
431.19482	0.5
449.22012	0.7
593.24268	0.8
611.25513	100.0
612.25836	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	611.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	5.1
65.47003	2.1
70.12146	6.2
70.12550	4.3
71.01260	5.1
73.22604	2.1
78.95755	13.7
79.95598	4.2
85.02818	4.2
87.00727	5.5
90.80611	1.9
93.08841	2.0
96.95882	100.0
96.96810	17.9
113.36327	2.5
113.81187	2.2
130.72162	1.8
189.00897	2.3
191.05547	14.2
197.11707	2.1
277.21683	16.3
283.13220	2.4
287.19421	2.4
291.04025	3.3
351.02057	2.2
351.05896	13.1
393.35648	2.1
553.26746	4.8
611.37799	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	613.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40646	6.9
55.29378	7.7
59.01248	29.4
59.93838	7.9
61.98705	14.0
68.99685	12.1
70.87756	12.4
70.88106	15.9
71.01242	45.2
71.77015	6.7
73.02820	13.9
78.95757	11.9
85.02837	17.2
89.02334	13.2
93.03330	28.4
95.01276	12.0
96.95912	22.9
99.70277	7.0
101.02328	36.0
109.06468	22.1
113.02271	14.7
113.05986	13.5
123.04382	15.9
123.76329	9.1
126.71981	7.8
135.04463	10.4
155.03387	18.7
161.04393	11.6
163.11189	7.8
171.10194	50.0
173.04471	26.0
179.03500	9.4
179.33002	7.1
187.07574	7.6
191.05533	83.5
197.11749	20.4
199.09660	100.0
201.11249	16.1
207.10168	90.9
209.08125	13.0
209.11755	40.2
215.13010	7.7
225.11285	62.6
227.12854	11.1
253.09311	56.2
305.17386	7.5
330.82053	6.6
392.41992	7.8
435.18713	50.7
461.20178	35.0
479.81561	7.6
487.45010	8.0
553.32343	9.4
613.26648	12.1
613.38910	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	613.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53341	7.8
59.01240	35.3
61.98699	16.4
69.03313	9.2
69.81860	52.8
71.01257	72.9
72.99184	8.2
73.02829	12.0
83.04890	10.1
85.02833	19.7
87.00745	21.6
92.46925	8.9
93.03349	24.2
96.95856	11.3
97.02802	9.4
98.20572	10.9
101.02312	26.5
109.06461	31.7
113.06005	14.1
118.96746	7.8
124.16096	9.5
127.09726	8.8
137.02368	11.0
137.41759	8.9
150.21088	9.3
155.03407	14.6
163.11151	8.1
171.10136	26.6
173.04433	25.5
178.62212	10.1
179.03320	9.1
181.12067	8.3
185.11823	8.5
191.05521	93.5
197.11781	68.7
199.09715	76.0
201.11192	14.4
207.10213	100.0
209.11752	77.0
215.12959	11.9
225.11240	74.2
227.12782	20.4
253.09294	72.4
279.16028	9.9
307.19150	12.4
435.18518	49.4
461.20020	43.7
613.26538	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	613.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36688	0.7
57.03308	0.7
58.45524	0.7
58.92561	0.6
59.01237	2.0
71.59030	1.1
73.11179	0.8
85.40747	0.7
86.03039	0.8
88.94492	0.7
93.03358	0.8
95.04893	6.7
113.09589	2.3
125.09644	0.8
130.11438	0.6
133.96442	0.9
179.14398	1.0
195.13837	16.5
196.14012	0.7
217.12021	1.1
249.11287	1.3
249.22145	1.6
277.21704	14.8
278.11328	4.6
278.21924	1.4
295.22763	100.0
296.23126	7.2
315.19431	1.6
317.20935	46.7
318.21265	4.6
361.19876	8.1
513.34393	1.0
613.44403	17.0
614.34918	0.8
614.44318	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	613.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71286	0.5
54.72533	0.6
57.03309	1.1
59.01239	2.5
63.71799	0.5
70.25184	2.1
79.07986	0.5
79.65874	0.5
83.04862	1.0
93.03333	0.6
95.04915	0.8
97.06462	0.6
99.08008	0.6
109.62339	0.6
125.09573	1.5
125.75468	0.6
127.11165	1.2
141.12741	1.2
151.11154	1.3
171.10165	45.0
172.10501	1.3
173.09262	0.6
183.10127	1.0
193.08426	0.7
194.78673	0.5
203.22501	0.5
207.09927	0.9
209.07877	2.2
233.22774	0.7
245.62569	0.5
249.22131	1.6
259.20410	1.0
277.21695	53.4
278.11261	0.8
278.22067	4.4
295.22757	100.0
296.17728	0.6
296.23108	8.2
299.20020	1.0
309.79175	0.6
315.19489	1.1
317.20950	39.0
318.21292	2.8
335.20728	0.9
361.19949	8.1
362.20135	0.9
457.95532	0.6
489.31134	1.0
613.44348	66.1
614.44519	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	615.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02715	0.6
52.73058	0.6
55.02473	0.6
58.00447	0.9
59.01249	12.3
68.99696	0.9
69.03325	0.8
71.01247	9.8
71.58811	0.9
72.99180	2.3
82.02869	1.3
82.67544	0.6
83.01268	0.9
85.02829	3.5
86.77406	0.6
87.00750	1.4
89.02320	8.5
93.03333	1.9
95.01254	0.8
96.95885	6.9
97.02847	1.5
98.02377	1.4
98.95435	0.9
100.05038	0.7
101.02323	4.7
113.02339	2.3
119.03383	2.0
119.04882	0.8
121.02840	2.9
125.02340	1.5
131.03387	1.7
133.01520	0.8
134.03654	0.7
135.04388	0.9
144.04413	0.6
145.03973	100.0
146.04330	3.4
147.04437	2.0
149.02388	0.7
149.04454	2.3
150.04141	2.1
159.05550	2.2
160.03893	1.0
161.03429	1.0
165.05467	0.8
171.04247	1.0
171.05577	9.7
172.05888	0.6
173.04521	0.8
178.02655	0.7
179.03450	0.8
182.04834	2.4
183.05544	2.2
188.03502	2.4
191.05544	5.9
193.04977	2.0
197.07129	8.7
198.04173	1.6
198.07413	1.1
199.05074	19.7
199.06810	1.3
200.05368	1.2
209.04475	1.6
209.07156	7.8
210.04176	1.0
211.05035	6.9
212.05440	0.7
221.07176	1.0
224.05679	1.2
225.00729	0.8
225.06639	25.5
226.06956	1.3
227.04591	1.1
227.08257	2.3
231.06596	6.9
237.06711	0.9
241.06146	2.6
243.07567	0.7
247.08720	0.7
249.10425	1.4
251.04471	0.8
253.06148	31.7
254.06433	1.4
259.08832	1.4
261.06699	1.9
269.05698	1.6
270.06424	1.4
271.07169	12.2
272.07455	0.8
275.08344	1.8
277.07028	0.8
277.09680	3.7
283.08740	0.8
285.10217	3.4
287.08267	1.5
287.11819	1.7
289.09821	1.6
301.09866	0.8
303.07800	0.7
303.11337	1.6
305.09305	6.4
311.08267	1.6
313.09827	3.5
315.07947	0.9
315.11276	1.4
331.10834	6.3
341.09167	3.5
349.11954	1.0
359.10339	22.7
360.10635	2.0
377.11377	23.0
378.11743	2.4
467.14551	0.9
539.16510	7.6
571.19220	2.2
615.18292	30.0
616.18762	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	615.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
57.03313	0.5
59.01249	5.5
61.98683	1.0
67.01748	0.8
67.27534	0.4
68.99671	0.7
69.03320	0.8
70.64908	1.2
70.65255	0.4
71.01255	4.4
71.04886	0.5
72.99178	0.8
73.02821	0.6
74.02327	1.2
78.95768	0.9
80.02548	1.9
80.96404	0.8
81.03317	2.0
82.02903	0.4
83.01257	0.9
83.04888	6.6
84.02016	2.0
85.02818	3.7
87.00747	2.7
89.02310	2.7
93.03323	5.6
95.01255	1.1
95.04870	0.9
96.04414	0.6
96.95880	7.7
96.96833	0.8
97.02832	0.5
97.03963	0.5
97.06473	0.8
99.00723	0.8
99.05510	1.0
101.02322	3.2
108.02093	0.5
109.02841	1.9
109.06462	2.3
111.04400	1.0
113.02321	1.4
116.92665	0.5
119.03424	0.5
123.04356	0.9
125.03463	1.4
125.05977	0.7
125.09644	0.8
127.03878	0.5
128.03418	1.7
134.03627	0.7
135.04366	0.8
135.08046	1.5
137.02295	1.4
137.07127	0.8
139.03886	0.5
139.58609	0.4
143.04572	2.1
151.07428	0.5
155.03387	2.7
155.08145	0.4
159.04338	0.5
160.00635	1.8
160.28072	0.4
161.02309	0.6
163.11177	5.8
165.06601	1.3
165.12758	3.4
171.08739	0.7
171.10175	10.9
173.04489	3.8
178.01447	0.6
179.05634	0.5
181.12247	1.1
187.07620	0.5
189.09105	0.5
190.02681	0.7
191.05534	15.9
191.10637	0.9
192.05861	1.4
203.07140	0.5
207.10156	6.2
209.11757	100.0
210.12094	5.0
225.03123	0.4
225.05119	1.8
225.11238	5.1
227.12833	49.3
228.13199	3.4
235.07982	0.5
253.04617	6.0
253.09200	1.3
259.03989	0.6
267.06650	1.4
268.07327	1.2
271.05722	0.9
272.08914	1.0
305.04468	2.5
306.07611	4.7
399.14392	0.5
443.24335	1.1
461.20410	0.9
467.14816	0.6
477.96786	0.5
492.20435	0.5
615.29889	2.8
616.31104	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	615.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	41.5
61.73914	8.4
66.52770	11.4
71.01244	34.2
71.39091	20.8
77.68837	8.5
80.02003	10.5
82.89469	8.1
85.02808	17.8
90.67924	9.2
93.43623	10.1
96.95867	18.4
99.00773	9.5
101.02361	13.4
103.83586	8.8
109.06449	30.5
112.06288	10.3
113.02299	10.9
115.54942	8.1
163.11201	18.4
171.10162	90.2
181.12227	11.6
191.05544	24.2
199.09712	36.2
199.51811	11.9
207.10226	100.0
209.11720	50.8
217.00296	20.9
225.11234	51.9
227.12901	12.0
253.09225	35.7
255.64095	10.9
332.23547	10.1
359.75543	10.1
435.18741	26.6
461.20221	14.1
589.57922	10.8
615.29083	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	615.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	12.5
69.03324	3.6
70.92720	3.6
71.01257	11.9
73.02814	2.4
75.30057	1.4
83.45370	1.5
85.02821	6.3
87.00730	1.9
89.02320	10.9
93.03352	4.7
96.95889	3.7
98.27383	1.7
99.00797	1.4
101.02301	11.5
109.02871	1.6
113.02343	7.0
119.03390	4.4
119.25478	1.4
134.03593	2.1
135.04382	1.7
137.02345	2.5
149.02316	4.4
149.06046	1.5
150.03108	6.1
161.04472	2.4
163.03841	1.6
164.04739	4.4
165.01888	2.6
165.05440	5.5
173.04491	3.3
178.02730	2.2
179.05586	1.9
179.27702	1.6
191.05533	16.5
193.01331	2.7
193.05003	3.7
195.06514	3.3
208.03651	8.2
223.06073	22.2
236.96196	1.5
347.12732	2.3
365.14026	2.6
373.12567	2.6
417.25070	7.2
419.16721	1.7
579.30151	100.0
580.30475	15.4
615.27875	56.9
616.28210	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	615.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	21.7
61.98681	1.7
67.01778	1.7
68.99661	2.0
69.03318	3.5
71.01244	16.0
71.59335	1.3
72.99186	2.9
73.02812	2.9
74.48130	1.2
74.98977	2.1
75.00748	2.8
83.01240	2.3
85.02818	6.2
87.00753	4.5
89.02321	20.1
93.03330	13.1
96.95887	11.3
97.02842	1.5
101.02298	12.4
109.02844	2.6
110.84890	1.5
111.04393	3.1
113.02322	6.8
119.03380	5.7
120.99566	1.6
123.04343	2.0
131.03394	3.4
134.03632	5.8
135.04366	3.2
137.02327	3.7
139.03909	1.4
143.03384	2.2
143.04657	1.9
149.02325	2.5
149.04407	5.0
150.03140	8.9
151.03627	2.0
155.03412	2.8
159.04358	1.8
161.04475	2.8
163.03780	1.5
165.01799	5.0
165.05432	8.3
166.02681	2.4
166.05745	1.9
173.04480	9.0
173.05740	1.7
178.02664	4.2
179.03333	2.6
179.05511	4.7
179.06963	1.5
180.04205	2.9
181.04990	3.3
185.00861	1.9
191.05527	40.8
192.04205	1.6
192.05901	4.7
193.04877	9.0
195.06477	6.0
196.06883	1.5
209.11758	2.1
225.07446	1.7
241.51984	1.5
253.04643	3.1
321.29105	1.4
365.13437	1.7
417.24832	6.1
567.21149	2.2
579.30145	100.0
580.30463	15.0
597.20941	1.7
615.27936	40.9
616.27930	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	615.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	12.5
69.03324	3.6
70.92720	3.6
71.01257	11.9
73.02814	2.4
75.30057	1.4
83.45370	1.5
85.02821	6.3
87.00730	1.9
89.02320	10.9
93.03352	4.7
96.95889	3.7
98.27383	1.7
99.00797	1.4
101.02301	11.5
109.02871	1.6
113.02343	7.0
119.03390	4.4
119.25478	1.4
134.03593	2.1
135.04382	1.7
137.02345	2.5
149.02316	4.4
149.06046	1.5
150.03108	6.1
161.04472	2.4
163.03841	1.6
164.04739	4.4
165.01888	2.6
165.05440	5.5
173.04491	3.3
178.02730	2.2
179.05586	1.9
179.27702	1.6
191.05533	16.5
193.01331	2.7
193.05003	3.7
195.06514	3.3
208.03651	8.2
223.06073	22.2
236.96196	1.5
347.12732	2.3
365.14026	2.6
373.12567	2.6
417.25070	7.2
419.16721	1.7
579.30151	100.0
580.30475	15.4
615.27875	56.9
616.28210	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	615.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	20.6
61.98687	1.6
69.03358	1.7
69.55541	7.6
69.55952	2.7
71.01258	14.3
72.99183	1.6
73.02809	2.0
85.02824	5.5
87.00761	3.3
89.02316	15.7
93.03323	3.5
96.95909	4.4
101.02316	11.0
104.57475	1.5
111.04408	1.6
113.02312	6.7
119.03360	7.4
121.02779	1.8
122.03606	2.0
133.02805	1.9
134.03636	9.7
135.04404	1.8
137.02312	4.3
149.02322	6.6
149.06050	2.1
150.03169	8.3
151.03961	2.8
163.03899	2.0
164.04692	2.8
165.01822	6.1
165.05487	3.6
166.02693	2.1
173.04456	4.1
178.02612	6.8
179.05507	3.8
179.06958	2.9
180.04199	4.2
185.00945	1.7
191.05531	17.7
192.05865	3.6
193.01413	1.9
193.04942	16.7
195.06529	5.6
207.06572	3.5
208.03697	3.6
223.06071	7.5
225.07657	2.1
417.24942	7.0
579.30176	100.0
580.30505	14.3
615.28088	24.5
616.28485	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	615.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02831	8.2
59.01253	15.1
61.98687	2.7
67.01766	2.8
69.03333	25.9
71.01257	9.3
71.58782	2.9
72.99172	5.7
73.03945	8.5
74.02318	5.7
75.00737	4.8
78.95769	4.1
79.95589	4.4
83.02345	5.2
84.00807	5.3
85.02812	7.1
85.03944	2.5
87.00725	5.3
87.05521	26.5
88.03902	2.8
89.02312	8.3
91.00269	2.3
93.03338	14.3
95.01250	3.2
96.00776	6.6
96.95894	48.2
97.02810	9.4
98.02354	3.4
99.00756	8.4
101.02324	8.4
111.05488	2.6
113.03441	10.7
115.08665	12.1
119.03416	2.6
121.36707	2.3
124.03897	5.6
125.07082	5.9
129.06601	27.8
130.08624	37.5
131.03427	3.5
133.02821	4.2
134.03624	45.7
134.10872	3.1
135.04445	4.3
137.02354	13.2
139.08670	6.9
140.08192	8.3
143.11789	32.0
149.02397	2.7
149.05946	12.7
150.03101	7.8
151.08688	15.5
155.08156	8.7
158.09251	9.0
163.47354	2.3
165.01845	11.2
165.05438	5.8
166.02516	2.9
168.11360	14.8
169.09720	9.8
173.04463	9.3
178.02629	30.6
179.03377	6.1
180.04184	8.3
181.04985	3.7
182.09236	9.8
183.07646	5.5
185.00856	19.5
186.12367	10.0
187.10844	20.5
191.05540	56.5
192.05875	4.1
193.03308	5.2
193.04962	82.7
195.06534	9.4
200.10309	10.0
200.13977	28.2
214.15543	4.1
237.21101	2.4
238.15388	3.2
239.15062	21.2
242.18669	8.2
243.10805	3.1
243.14629	3.9
244.12997	6.2
257.16107	9.9
281.16150	36.4
282.16574	3.0
299.17209	36.4
299.20840	11.4
313.22397	3.7
314.58295	2.4
335.20926	4.2
343.19788	5.6
363.08383	3.2
370.24344	6.2
392.86725	2.8
396.18671	3.5
414.23584	5.3
527.28320	64.7
528.28906	5.2
553.29858	3.4
567.21722	4.4
571.30884	100.0
572.31812	13.9
600.46674	3.1
615.24225	5.6
615.33655	73.3
616.33496	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	617.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.1
59.01256	2.9
70.46090	3.3
70.46460	3.0
78.95759	13.5
80.02544	2.9
83.04905	5.8
84.02038	3.8
95.04877	2.5
97.06433	3.9
99.87424	2.1
107.25293	1.8
109.06451	1.8
111.08007	1.9
123.04404	4.9
123.08050	8.9
125.09608	14.0
127.11224	2.5
129.36740	1.8
137.09621	14.7
139.11171	6.4
141.09070	2.2
142.02583	4.5
149.05968	2.0
151.11169	4.9
152.99510	11.0
153.12704	2.3
155.10686	7.6
171.10204	19.8
185.11627	2.6
187.09622	2.2
193.12288	3.5
199.13348	18.0
201.11180	3.0
209.11739	9.0
221.11745	2.3
227.12772	2.7
243.83270	2.0
245.19156	11.2
247.20544	2.1
255.23112	3.6
271.17126	2.1
279.19434	1.9
287.16550	2.5
289.18069	64.2
290.18295	4.5
291.19638	36.2
292.19897	4.3
305.17453	2.2
307.19125	100.0
308.19489	7.5
309.20706	59.8
310.21127	2.8
311.22122	2.7
325.20029	10.2
341.16287	1.9
381.13062	6.4
599.39899	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	617.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	6.0
57.27092	1.5
58.00484	1.3
59.01235	6.8
71.01238	2.5
71.58726	1.7
78.95773	3.3
83.04859	2.1
89.02285	2.0
91.44294	1.6
93.03345	1.8
95.04891	1.8
97.06458	2.7
101.02297	2.5
111.08032	7.5
113.02262	1.9
123.04395	4.2
123.08026	7.3
125.09585	22.0
127.11165	5.8
133.02966	1.4
137.09604	7.2
139.11165	5.8
141.09117	4.7
142.02585	2.5
151.11194	4.3
153.09123	4.0
155.10738	1.7
155.14261	1.6
165.12756	1.6
169.12137	1.5
171.10138	11.7
183.10165	2.2
185.11790	1.9
187.09686	1.9
191.05704	1.9
195.10104	2.8
199.09680	4.2
199.13293	18.0
201.11250	41.0
202.11606	2.2
209.11743	4.6
213.11238	32.4
214.11751	1.7
227.12793	6.4
240.13728	1.7
245.19075	8.5
247.20619	2.5
263.20114	2.0
271.17151	2.1
289.18079	52.7
290.18475	3.5
291.19635	22.7
292.19922	2.8
307.19119	95.1
308.19482	6.6
309.20682	100.0
310.20749	7.2
325.20175	83.3
326.20596	7.6
366.24173	1.6
489.94009	1.5
581.38794	1.6
599.39966	6.8
617.40515	19.4
618.40710	4.3
641.54907	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	617.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.3
58.00441	0.5
59.01204	1.2
59.01474	0.3
62.54614	0.3
69.03277	0.4
71.01228	0.7
71.04837	0.3
71.07624	0.8
73.02770	0.6
74.30257	0.3
78.51302	0.3
78.95763	0.5
80.02531	0.4
83.04864	0.6
85.02813	0.4
87.04375	0.5
93.03329	0.3
97.06418	1.2
98.03603	0.4
99.72923	0.3
107.08553	1.9
110.03570	0.4
111.07414	0.4
111.08037	4.3
123.08013	1.9
125.05885	0.6
125.08748	0.5
125.09608	10.2
127.11155	2.7
135.08003	0.9
137.09602	3.1
139.07504	0.4
139.11179	3.6
141.09053	1.2
141.12679	0.3
143.10602	0.3
149.09546	0.4
151.07588	0.4
151.11200	1.9
152.99440	0.6
153.09119	1.7
155.10715	2.2
155.14319	0.3
163.11162	0.3
164.08344	0.7
165.09070	1.2
165.12761	0.7
167.10727	2.4
169.12213	0.8
171.10191	4.5
172.10431	0.5
177.09073	0.4
183.10112	1.2
185.11705	1.2
193.15865	0.8
195.10168	1.1
197.11760	0.3
199.09656	1.0
199.13380	1.6
201.11247	20.5
202.11598	0.8
209.11748	1.4
211.13200	0.5
213.11255	15.7
214.11865	1.5
227.12834	2.8
237.11285	0.4
240.13658	2.1
245.19083	1.2
247.20618	1.1
255.15904	0.4
263.20142	0.8
265.21408	0.3
273.18521	0.5
279.19681	0.4
281.21170	0.8
289.18088	7.3
290.18448	0.5
291.16257	0.5
291.19650	17.3
292.19958	1.1
307.19128	18.2
308.19449	1.5
309.20688	100.0
310.21011	7.8
311.22342	0.4
325.20175	39.6
326.20422	3.4
439.68362	0.3
473.33484	0.3
581.38782	0.6
599.39368	1.5
617.40320	2.1
618.41022	0.4
634.15558	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	617.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.0
59.01244	1.4
78.95765	2.7
80.02516	1.6
81.03313	2.2
83.04918	0.9
91.57526	0.8
95.04869	1.2
96.95880	2.5
97.02828	2.5
107.04889	1.4
109.06464	1.0
110.03594	1.7
111.08008	1.5
114.97219	0.8
121.06445	2.1
123.04414	6.2
123.08038	9.3
125.09608	2.2
130.85248	0.8
135.08011	1.3
137.09572	1.4
139.11166	4.7
142.02588	3.4
149.09616	3.0
151.11176	6.8
152.99489	1.3
153.09064	1.3
153.12704	1.3
155.14383	1.0
161.02315	1.7
163.11203	1.1
171.10156	4.1
175.11121	1.2
177.12756	3.1
185.11703	2.3
186.99782	0.9
195.13835	3.8
199.13309	15.3
201.11278	2.3
203.14371	1.5
211.13274	1.6
213.11290	1.2
216.15334	0.8
221.11766	6.6
233.15381	1.3
237.14940	1.1
238.12076	0.8
239.12837	2.5
239.72159	0.7
240.13634	2.7
245.19061	6.0
246.19261	0.9
247.16940	2.1
247.20665	7.4
249.14880	1.3
261.18457	0.9
263.19968	0.9
267.15948	1.4
271.17041	1.9
273.18579	2.5
273.98352	1.0
289.18073	52.6
290.18417	5.1
291.19644	100.0
292.20026	7.0
305.17688	1.2
307.19119	78.5
308.19556	6.6
309.20685	89.6
310.21017	6.9
325.20114	2.7
389.50711	0.9
514.77448	0.9
599.39795	1.5
617.39783	4.7
618.39423	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	617.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87494	1.2
56.25146	1.5
57.03320	3.3
59.01235	3.8
62.52576	1.2
74.11752	1.2
78.95747	1.9
87.26839	1.3
95.04863	2.1
97.06448	2.4
107.04922	2.1
111.08018	2.1
111.40951	1.3
116.51903	1.2
117.03373	1.3
123.04399	4.2
123.08043	9.5
125.09584	6.6
133.02820	13.4
134.03630	1.9
135.04414	3.1
137.09557	3.3
137.97929	1.3
139.11150	4.0
142.02695	2.0
144.20355	1.4
145.02896	6.4
151.07513	1.3
151.11151	4.2
152.99484	2.2
153.09041	2.4
155.10632	1.6
155.14285	2.2
161.01076	2.0
161.02342	37.1
162.02605	1.3
169.12169	1.3
171.10188	6.2
177.12758	1.8
191.05482	2.2
199.04184	1.2
199.09685	5.6
199.13324	14.9
200.10411	2.5
201.11261	6.8
213.11229	1.7
239.81343	1.3
245.19040	7.2
247.20708	3.0
271.17041	1.7
289.18082	54.5
290.18335	3.9
291.19675	9.8
305.17398	1.5
307.19113	90.7
308.19452	6.2
309.20670	100.0
310.20987	7.0
325.20245	6.5
373.75452	1.3
599.39508	1.8
617.38434	96.2
618.38782	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	619.2554
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.70157	2.1
61.98696	3.8
65.35060	2.1
69.48050	16.5
78.95769	14.9
84.51526	2.1
84.97736	1.8
116.77616	1.8
134.89075	1.9
152.99500	10.0
192.61490	2.1
205.16342	1.8
209.11716	5.8
255.23274	13.8
309.20749	1.9
357.02213	1.8
391.22488	3.8
401.13879	2.8
403.22940	2.1
409.23410	2.1
415.15582	4.1
416.16452	14.1
430.17847	4.3
459.18204	100.0
460.18607	8.3
473.19843	15.8
474.20364	6.3
501.19144	2.2
503.17459	3.1
518.19537	43.3
519.20032	5.9
532.21124	9.2
533.21912	80.7
533.30188	3.9
534.21942	12.8
587.23096	6.3
619.25641	64.7
619.35699	6.7
620.26025	12.3
621.41022	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	619.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77582	0.7
57.03324	4.5
58.00463	1.0
59.01227	2.0
61.72172	0.7
67.47546	0.6
69.78492	0.6
78.95773	1.4
80.17620	0.7
83.04880	1.0
90.31991	0.7
98.20569	1.5
107.08517	1.1
113.09600	7.4
123.08034	1.6
125.09602	6.7
127.11176	4.0
133.52400	0.8
137.09613	2.9
139.11212	4.3
141.09093	1.7
151.11163	2.8
152.99480	1.4
153.09138	1.2
155.10661	2.6
165.09164	1.1
167.10675	2.4
171.10188	2.8
183.10161	1.6
185.11757	2.1
195.10185	0.8
199.09691	2.0
199.13306	1.4
201.11253	31.1
202.11525	1.5
209.11717	1.0
213.11267	20.9
214.11914	2.3
227.12804	3.1
229.89012	1.0
240.13646	2.3
247.20686	1.8
274.19257	0.8
291.19641	23.2
292.20020	1.5
307.19394	1.4
309.20694	100.0
310.21082	10.3
311.22177	3.4
327.21741	53.0
328.21976	4.5
579.87469	0.8
601.41083	1.8
619.41785	2.9
624.98578	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	619.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03744	1.1
57.03317	2.7
59.01232	1.5
66.52142	1.0
79.83923	0.9
90.29028	1.1
90.80052	1.0
93.03362	1.5
95.04861	1.3
97.02805	1.5
98.20633	2.1
107.04910	1.8
109.06439	1.3
113.09586	1.5
117.03344	1.0
123.04369	4.3
123.08069	5.6
125.09598	2.0
133.02855	16.0
134.03601	3.1
135.04396	3.3
137.02309	1.4
137.09589	1.9
139.11145	3.6
142.02626	2.3
151.11189	7.0
153.09077	3.3
161.02341	49.0
162.02722	1.6
163.11237	1.2
165.12764	1.2
171.10164	3.5
177.12706	4.5
193.12218	1.5
195.13782	2.4
199.13278	11.4
201.11182	2.6
209.11801	1.2
211.13307	1.8
213.11292	1.4
221.11726	3.1
227.12828	1.3
229.82050	1.6
239.12892	2.7
240.13454	1.1
245.19040	4.3
247.16878	1.0
247.20740	6.7
249.22159	2.8
265.21661	1.2
273.18457	1.3
289.18054	36.1
290.18430	3.4
291.19635	97.4
292.20032	6.4
293.21210	46.5
293.24002	0.7
294.21558	4.0
306.28925	0.9
307.19131	52.0
308.19424	5.4
309.20676	100.0
310.21002	9.2
311.22260	76.3
312.22577	6.3
325.20151	1.7
327.21460	2.6
348.28619	1.1
369.52844	0.9
400.39072	1.0
457.76663	1.1
601.41034	1.1
619.40002	90.4
620.40375	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	619.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23114	0.9
57.03317	2.8
59.01238	1.8
62.80424	0.9
69.03314	1.2
70.16803	3.7
83.04891	1.1
84.40981	1.2
85.02853	4.6
90.62433	1.0
97.06478	3.8
107.08514	1.2
111.08012	1.1
123.08036	1.3
125.09602	2.5
127.11163	1.1
137.09550	1.7
139.11180	3.6
145.02800	2.7
165.12682	1.3
167.10709	2.2
167.14394	1.2
171.10162	12.9
172.10506	1.2
183.13815	4.3
185.11848	1.8
191.05388	1.1
193.12270	1.4
193.15944	1.4
197.11829	2.1
199.13248	2.4
201.11203	2.5
209.11658	1.8
211.13315	14.7
211.92271	1.1
213.11253	1.8
214.11913	2.0
221.11739	3.4
223.13420	1.7
227.12758	1.3
229.14348	8.1
239.12753	1.1
240.13676	2.1
246.53688	1.1
247.20624	2.5
269.79150	1.0
289.18002	3.3
291.19659	20.4
292.20078	1.6
305.17645	2.1
307.19073	3.2
308.19373	2.0
309.20682	100.0
310.20999	8.5
311.22177	3.2
325.20181	1.4
327.21729	82.6
328.22119	5.4
601.24780	1.1
601.40912	1.8
619.41302	8.0
620.40729	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	621.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04310	0.9
57.03316	1.2
58.00470	1.3
59.01250	72.2
61.98699	11.7
62.25797	0.9
67.01746	1.4
69.03333	2.0
71.01253	17.1
71.59163	1.3
72.99159	3.1
73.02809	4.2
75.00734	1.7
81.03303	1.9
83.01276	1.4
83.04884	1.8
85.02814	7.6
87.00747	5.4
89.02320	11.4
93.03333	9.4
94.03706	1.3
95.01256	1.1
96.95892	6.8
97.02820	1.7
99.00755	2.3
101.02326	11.6
109.02850	1.5
113.02322	5.8
116.92725	1.1
119.03381	3.3
125.02348	2.1
131.03372	1.2
135.02850	1.2
135.04407	3.6
137.02341	2.0
143.03351	1.1
159.04449	3.2
161.02356	1.1
161.04459	3.9
161.05821	1.3
163.00278	10.7
163.03792	1.1
171.10104	1.1
173.04446	7.2
173.05882	1.9
174.03261	1.2
177.01860	1.3
179.05562	2.2
187.03975	1.6
187.07587	2.7
189.09155	5.9
190.99779	100.0
191.05519	26.3
192.00313	5.4
192.05858	3.2
193.08611	1.2
202.06253	3.4
203.06981	2.3
205.01483	1.2
206.02135	92.4
207.02710	5.9
213.09215	1.2
215.07118	1.6
223.13414	5.7
231.10172	5.7
371.18356	1.0
397.13379	3.4
399.10724	8.5
399.23758	2.3
415.14423	1.9
523.21057	2.0
524.11267	1.2
524.22766	4.9
561.29089	9.6
566.78265	1.1
621.32959	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	621.222
Annotation	Saframycin R
Peak:m/z	Relative Intensity
58.00465	1.2
59.01247	16.5
59.17348	0.6
60.67792	0.6
70.66446	0.5
71.01255	12.9
71.59368	1.1
72.99161	1.2
73.02824	2.6
74.98965	19.4
79.95609	0.9
80.96400	0.7
83.01254	0.9
85.02838	3.6
86.28542	0.6
87.00751	4.2
89.02314	20.4
93.03323	2.0
95.01264	1.0
96.95892	1.3
97.02821	0.6
99.00766	1.2
101.02312	8.6
113.02322	2.5
118.97972	100.0
119.03394	0.7
119.98302	1.6
131.03374	10.1
149.04482	6.1
155.03362	0.9
191.05527	10.6
196.17039	0.6
246.73984	0.6
247.11563	1.0
266.53116	0.7
268.93521	0.6
357.04330	1.5
387.09018	2.5
603.21008	8.1
604.21100	1.8
621.22174	67.6
622.22504	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	621.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00600	0.9
59.01249	14.3
64.41058	1.1
71.01254	9.8
71.04892	2.6
71.24472	1.7
72.99168	1.1
85.02826	2.0
89.02319	10.4
99.04421	2.4
101.02328	7.0
101.05948	1.5
113.02333	4.0
117.05463	33.5
119.03374	5.4
135.04465	1.3
146.41319	1.5
193.80789	1.1
279.10837	100.0
280.11163	5.1
418.72943	1.2
497.66150	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	621.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.4
59.01239	2.6
66.67546	0.5
70.34280	2.2
71.01260	0.7
78.95758	1.4
80.02535	1.7
81.03320	2.3
83.01225	3.1
83.04896	1.6
87.08603	0.6
93.03339	4.3
95.04892	1.4
96.95883	1.2
97.02842	1.1
97.06467	3.5
98.63145	0.6
106.04170	0.6
109.02857	0.8
109.06453	0.9
121.06429	0.9
123.04395	2.2
123.07993	0.8
123.54694	0.7
125.05956	1.2
125.09593	5.1
127.07548	0.7
135.08029	1.1
137.09610	2.3
148.08833	1.8
149.09622	0.7
150.10342	1.3
151.11153	0.8
152.99469	0.8
163.07538	1.0
163.11206	6.1
165.12758	24.8
166.13092	1.1
167.10661	1.1
175.07346	1.4
175.11217	0.9
177.12657	1.0
181.12253	1.3
185.11746	3.8
191.10677	1.4
191.14322	5.8
193.77769	0.6
207.10092	3.1
209.07777	1.3
209.11752	25.5
210.12085	0.9
217.15938	1.4
219.06383	0.7
225.11290	2.5
231.09969	32.1
232.10329	1.4
233.11505	2.1
244.10817	3.3
245.19048	9.7
247.09621	1.0
247.20619	11.8
248.20895	0.8
249.10925	0.7
259.13245	0.7
261.18576	0.8
263.20193	0.8
271.17111	1.1
273.18567	7.5
285.18240	1.5
289.18094	26.7
290.18372	1.8
291.19641	100.0
292.19955	7.1
307.19135	23.5
308.19394	1.9
313.17810	10.2
314.18259	1.0
317.17288	5.5
329.17468	12.6
344.96371	0.6
361.16406	0.7
394.85703	0.8
427.90424	0.6
523.30267	2.8
621.37646	17.6
622.37677	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	621.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30116	0.4
51.31288	0.5
57.03312	1.9
61.49046	0.5
62.28644	0.5
69.29121	2.6
69.29560	2.7
74.10918	0.6
93.21761	0.5
98.19777	1.3
111.08020	0.8
113.09592	1.4
125.09597	1.6
127.11176	1.3
139.11197	2.2
141.12747	1.1
155.10643	1.9
157.08636	0.6
167.10684	4.9
171.10162	0.8
183.10185	1.1
185.11728	1.3
201.11214	7.2
213.11348	4.5
214.11977	1.1
227.12766	0.7
239.23694	0.7
249.22156	0.8
265.21710	0.8
267.23209	0.7
291.19534	0.9
293.21182	7.2
294.21503	0.7
309.20709	2.2
311.22247	100.0
312.22604	8.1
327.21710	9.9
385.12717	0.9
397.48770	0.5
442.12360	0.6
603.42572	1.7
621.43378	2.3
636.26215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.2
58.79726	0.8
59.01251	1.1
71.14782	1.1
71.15105	0.9
78.95772	1.1
80.48170	0.7
89.14320	0.7
97.00980	0.8
97.06476	0.8
106.92311	0.8
123.08016	0.7
125.09584	1.5
127.11170	1.2
137.09607	0.9
139.11168	2.5
151.11177	2.0
153.09167	1.0
153.12753	0.8
154.09924	0.8
164.83534	0.9
167.10638	2.0
167.59555	0.7
171.10219	3.9
172.56717	0.7
172.75607	0.9
176.54729	0.7
177.12726	2.0
185.11679	1.6
195.13815	2.1
201.11333	1.0
211.13391	2.0
216.36786	0.7
247.20642	2.4
249.22250	1.9
290.18491	0.9
291.19656	36.1
292.20010	2.2
293.21198	29.3
294.21371	3.5
308.19470	1.3
309.20694	44.9
310.21002	3.4
311.22263	100.0
312.22543	8.7
327.21738	6.3
328.22116	1.1
603.43317	1.3
621.43420	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	621.437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20111	0.9
57.03325	2.3
59.01251	2.4
71.59059	1.2
78.43439	1.0
83.04858	0.9
83.29682	0.9
85.02824	1.1
91.14465	0.9
97.06451	2.0
99.08027	3.7
106.93288	1.0
107.08537	2.2
113.09628	1.3
121.97955	1.1
125.09591	1.3
127.11153	3.2
127.23939	1.0
128.23219	1.0
137.09689	1.4
139.11156	6.6
153.09146	1.4
155.10573	2.0
165.12735	1.8
167.10670	1.5
171.10188	9.7
179.27405	1.2
183.13826	4.0
193.12267	1.7
201.11218	2.2
209.11836	1.1
211.13335	22.7
213.11174	1.2
214.11797	1.3
229.14391	12.4
240.13635	1.5
247.20729	2.6
280.68152	1.1
291.19638	22.1
292.19980	3.1
293.21414	7.1
308.19278	1.8
309.20688	100.0
310.21030	7.3
311.22260	5.8
329.23312	74.8
330.23599	4.8
507.95709	1.0
603.42725	2.6
621.44025	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	622.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11103	0.7
55.01762	1.9
57.03328	2.5
58.00465	5.2
58.98450	0.6
59.01250	100.0
60.01584	1.4
60.22955	0.8
61.16555	0.8
61.40248	0.8
61.98719	1.3
67.01758	0.8
69.03320	0.8
70.02866	2.2
71.01252	61.2
71.04899	2.8
71.39390	1.5
72.01598	1.2
72.99178	6.5
73.02839	2.6
75.00768	1.2
79.95612	15.6
80.96393	5.2
81.03339	1.1
82.63755	0.7
83.01250	3.5
83.04903	2.3
85.02824	13.7
85.06469	2.0
86.02361	0.9
87.00749	5.9
88.03915	2.2
89.02318	75.1
90.00735	0.7
93.03350	5.2
94.97968	1.5
95.01251	4.7
96.95894	4.0
97.02844	2.3
98.02357	1.0
99.00751	1.5
99.04450	0.9
99.08026	1.1
101.02319	36.7
102.02657	1.1
108.08083	3.4
109.06478	5.9
110.02348	0.8
111.04411	1.6
111.94607	0.8
113.02321	21.5
119.03389	37.2
125.02365	2.2
126.09129	5.3
130.12326	0.8
131.03395	2.7
133.02853	0.8
135.04430	2.1
138.09145	2.9
143.03377	4.9
149.04437	4.2
152.98605	0.9
154.08624	1.6
155.10692	1.4
156.10225	2.3
161.04459	8.1
163.11214	2.3
164.98608	0.8
166.08687	3.3
169.12213	1.0
173.04404	3.5
179.05515	17.0
179.06955	1.3
181.12189	1.1
181.15880	6.5
184.09715	1.5
191.05537	20.6
207.10208	11.4
210.06825	2.3
225.00705	2.9
225.11263	8.9
227.07056	1.6
228.07996	1.9
237.18524	1.6
246.08948	1.0
247.09586	0.8
255.19710	3.1
257.21216	7.3
285.20798	1.8
287.22156	1.0
302.23306	0.8
303.21719	7.7
326.22964	1.1
328.24927	6.1
344.24332	1.8
394.29465	2.1
397.13391	2.7
412.30676	1.3
415.14590	3.4
424.30737	3.0
442.31689	46.1
443.32007	4.6
460.32733	19.3
461.33194	2.0
474.14359	0.8
497.16867	2.1
526.17255	1.7
548.87512	0.9
562.29297	2.6
605.18756	3.2
622.38068	98.5
623.24438	17.5
623.38367	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	623.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
59.01247	8.0
60.99168	1.0
67.01750	2.4
68.99679	0.7
69.03331	1.0
71.01247	7.3
72.99191	1.2
73.02827	1.6
75.00745	1.0
78.95776	1.0
81.03343	0.7
83.01273	1.0
83.04929	1.7
85.02821	10.1
87.00755	6.9
89.02308	3.3
93.03331	13.6
95.01267	0.8
96.95889	4.2
97.02827	2.1
99.00757	1.4
99.04378	0.7
101.02309	4.1
105.03717	0.5
107.04867	0.6
108.02051	2.6
109.02829	3.1
109.06486	3.5
111.00736	1.2
111.04398	3.2
113.02312	2.4
117.01823	0.6
118.97990	0.8
119.04921	0.7
121.02802	3.0
122.03621	1.3
123.87390	0.6
124.01546	7.0
125.02335	3.4
126.03091	1.2
127.03864	2.8
127.04991	0.6
129.56165	0.7
131.03394	0.6
133.02846	2.2
134.03642	7.4
135.04408	84.8
136.04768	2.5
137.02338	5.2
146.05772	0.7
147.04445	0.7
148.05070	0.5
150.03131	4.6
151.03917	11.6
152.07155	0.5
155.03387	2.1
159.04413	1.0
160.01668	1.1
161.02354	3.1
161.04573	0.6
161.05972	1.1
162.03123	1.0
163.03874	1.1
163.11197	1.3
167.03407	0.9
171.02908	0.9
173.04463	13.6
173.05875	0.9
174.06784	0.8
177.01804	0.6
178.02594	2.7
179.03407	19.0
180.04134	1.8
181.12234	0.8
187.07527	1.6
189.09161	0.8
191.05528	100.0
192.05887	3.1
194.02168	0.9
199.07675	0.6
200.04640	0.6
201.05382	0.6
203.07082	0.8
207.10172	7.8
209.05994	1.0
211.07509	1.1
212.03345	0.5
217.04697	0.8
219.06607	0.7
225.05415	0.7
225.11247	10.0
227.07043	2.8
228.07816	1.4
229.78537	0.6
245.08176	1.8
246.08900	1.2
249.07593	0.7
253.04546	0.6
257.08179	3.8
262.08350	0.8
263.09195	2.4
271.06015	0.8
273.07785	0.6
275.09189	1.1
279.90417	0.6
289.06995	1.5
290.07883	2.9
306.07480	0.9
307.08282	7.3
308.08975	16.2
309.09500	0.8
316.02267	0.7
323.07663	1.0
328.13248	0.6
352.07959	45.4
353.08167	3.1
397.13498	2.4
399.10889	0.6
415.14557	1.9
431.13000	1.3
449.14542	8.4
450.14978	1.0
464.12930	1.2
482.14301	5.7
483.14883	0.7
526.13232	25.3
527.13745	3.3
561.18860	0.7
605.18536	2.1
623.19604	6.4
623.26935	3.1
624.20331	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	623.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.3
69.45560	2.9
71.01257	1.3
72.99177	0.6
75.22447	0.3
77.33479	0.3
80.71970	0.3
85.02823	1.5
87.00764	0.8
89.02329	0.8
93.03358	2.0
94.56240	0.3
96.36478	0.3
96.95879	0.9
97.02837	0.4
99.24091	0.3
101.02316	0.8
109.02789	0.4
109.06474	0.8
112.75784	0.3
120.99538	100.0
121.99866	1.2
134.03644	0.7
135.04413	1.8
146.83467	0.3
155.03310	0.5
173.04448	0.8
178.02649	0.4
191.05521	10.9
192.05940	0.4
207.10226	1.7
225.11284	1.5
241.22705	0.3
263.09189	0.4
269.19965	0.3
275.56369	0.4
313.07883	0.4
352.08069	0.4
397.13229	0.8
402.58582	0.3
415.14423	0.4
449.14627	1.5
517.15350	0.4
534.69464	0.4
623.25299	3.4
624.23334	0.4
636.71838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	1.2
56.37861	1.2
57.03310	1.1
58.00452	1.5
59.01250	25.4
59.01705	1.0
61.98684	3.7
69.03320	2.2
69.32247	1.0
69.32541	10.1
71.00898	1.1
71.01253	21.1
72.99165	1.4
73.02789	2.8
78.91731	2.1
79.03316	1.2
80.02538	1.7
81.03306	3.3
83.01250	2.6
83.04868	4.2
85.02814	4.0
87.00732	4.4
89.02313	16.6
93.03306	3.5
95.01234	2.3
95.04899	1.0
96.95892	6.5
97.02831	11.3
98.19722	2.1
99.00724	3.2
101.02322	17.3
108.01997	0.9
109.02810	1.3
109.06470	34.7
110.03591	1.6
111.04395	1.2
113.02306	8.3
116.92722	1.8
119.03401	6.0
121.06464	3.7
125.02304	4.2
125.09566	1.7
128.74872	0.9
131.03394	1.5
134.03650	1.0
135.02847	2.8
135.04352	2.9
135.08015	4.5
136.05118	1.1
141.01752	1.4
142.02531	2.8
143.03407	2.1
155.03380	2.1
161.04398	2.9
161.09615	2.2
163.11183	23.1
164.11497	1.5
169.96584	0.9
173.04417	2.0
179.05473	4.6
181.12256	8.1
184.50093	0.9
189.09113	2.3
191.05499	6.9
207.10188	100.0
208.10545	5.7
209.11670	3.3
225.11264	75.4
226.11569	3.8
235.08127	4.1
253.09216	2.0
299.14996	2.1
305.08679	1.2
309.20596	3.0
315.07214	1.5
345.13605	1.3
397.08432	1.5
397.13486	27.7
398.13669	1.2
415.14554	23.3
416.14844	1.7
529.39075	1.3
533.84467	1.1
605.24188	2.6
623.25366	68.5
624.25677	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	623.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50855	0.6
55.01766	1.5
57.03318	1.6
58.00460	1.4
59.01249	33.4
61.98700	1.3
65.37505	0.6
68.63739	0.6
68.97440	0.6
69.03322	1.9
71.01249	18.8
71.04919	0.8
71.07961	0.8
72.99185	1.8
73.02820	2.4
75.00739	1.4
80.02552	1.9
81.03322	3.6
83.01262	2.1
83.04897	2.9
85.02822	5.5
87.00756	4.0
89.02314	18.8
93.03352	1.8
95.01276	1.4
95.04946	1.2
96.95927	0.9
97.02826	12.5
97.06501	0.8
99.00762	2.9
99.04334	0.6
101.02322	14.8
102.02637	0.6
107.04905	0.8
109.02863	1.2
109.06470	35.1
110.03623	2.4
110.06824	1.2
111.00753	0.7
111.04452	1.5
113.02318	7.5
119.03380	4.9
121.06470	2.3
123.04386	1.0
125.02335	5.3
125.09633	1.1
131.03403	1.1
135.02869	1.3
135.04411	2.8
135.08046	4.8
136.05191	2.2
137.02335	1.0
141.01805	1.1
142.02629	3.2
143.03391	2.6
145.10081	0.9
151.03954	1.1
161.04485	2.4
161.09613	2.7
163.11198	22.3
164.11499	1.3
173.04483	1.0
179.05478	3.0
179.10713	0.8
181.12286	7.3
189.09180	1.8
191.05522	2.3
207.10199	100.0
208.10538	6.0
209.11752	2.5
221.06691	1.7
225.11266	83.3
226.11536	3.4
235.08148	4.3
243.12349	2.2
253.09276	1.5
263.07733	0.9
285.05307	0.7
287.07742	0.8
299.14987	2.2
309.20697	2.1
315.10757	1.0
318.53296	0.6
323.09851	1.2
397.13461	27.5
398.13681	2.2
415.08936	1.2
415.14560	21.9
416.14639	1.5
443.19168	0.7
461.20642	0.7
505.24072	0.8
605.24542	2.9
623.25421	76.8
624.26080	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	623.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03318	1.1
58.00458	1.1
59.01246	26.9
61.98698	3.6
66.66927	0.6
69.03344	2.0
71.01250	17.7
72.99199	1.6
73.02830	2.6
75.00325	0.6
75.00732	1.4
76.01492	0.7
76.10870	0.6
78.95790	1.3
79.95609	0.7
80.02521	1.2
81.03342	3.8
82.95561	0.6
83.01254	1.8
83.04919	2.2
85.02808	5.1
87.00740	4.1
89.02313	15.6
93.03351	1.8
95.01272	1.0
95.04883	1.1
95.89755	0.7
96.95875	2.5
97.02828	10.3
97.06443	0.8
99.00759	2.9
101.02325	13.2
107.04925	0.7
109.02834	1.5
109.06469	34.5
110.03590	1.9
110.06846	1.3
111.04384	0.8
113.02335	6.0
119.03382	3.7
121.06480	2.0
125.02336	4.4
125.09608	1.0
131.03334	1.1
135.08043	5.1
136.05193	2.6
141.01822	1.0
142.02614	4.1
143.03404	2.3
161.04451	2.7
161.09615	1.6
163.07396	0.7
163.11182	19.8
164.11429	1.0
171.10167	1.2
173.04459	1.1
179.05498	3.4
179.10655	0.9
181.12247	6.7
189.09157	0.8
191.05519	2.5
197.11726	1.1
207.10191	100.0
208.10509	5.3
208.86079	0.8
209.11749	3.1
221.06538	2.1
225.11256	70.9
226.11627	4.2
229.70445	0.8
235.08159	3.8
243.12292	1.9
253.09230	2.1
287.07666	0.8
299.14987	1.4
305.08719	1.5
334.97971	0.7
397.13483	26.5
398.13580	1.1
415.14542	21.8
416.14874	1.5
428.20670	0.7
443.19302	1.6
525.26697	1.6
605.24310	2.5
623.25446	63.2
624.25922	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	623.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.3
57.03331	1.7
58.00446	1.0
59.01247	35.4
64.60452	0.8
67.01766	1.2
67.60297	0.8
69.03303	1.6
70.55775	2.2
70.56168	1.8
71.01250	24.5
72.99169	2.9
73.02824	3.9
75.00757	2.2
80.02554	1.2
81.03335	4.2
83.01262	2.3
83.04894	3.3
85.02820	9.6
87.00732	7.1
88.00191	0.9
89.02312	21.7
89.02827	1.7
93.03335	10.2
95.01249	1.8
95.04873	1.3
96.95899	3.9
97.02823	9.8
99.00753	3.3
99.04375	1.1
101.02324	16.7
102.01864	1.3
103.87401	0.9
107.04884	1.9
109.06472	41.5
110.03613	1.9
111.00750	1.0
111.04411	2.8
113.02341	8.4
119.03405	8.1
120.99531	9.5
121.02802	0.8
121.06472	1.7
125.02325	4.3
127.03907	1.3
134.03624	1.5
135.04381	3.7
135.08057	3.9
136.05208	1.6
137.02365	1.1
142.02579	2.5
143.03412	2.5
147.08034	1.0
161.04462	3.4
161.09644	2.6
163.11188	22.2
173.04469	7.4
179.03380	1.2
179.05521	5.2
181.12285	6.2
185.04570	1.3
187.07565	1.2
189.09099	0.9
191.03694	1.7
191.05534	33.6
192.05852	1.8
206.35745	1.2
207.10193	100.0
208.10513	5.9
209.11719	1.6
213.05534	1.0
220.59952	0.8
221.06638	2.8
225.11259	79.2
226.11610	5.7
235.08215	3.8
243.12279	2.0
245.08293	1.1
253.09106	1.4
263.07535	1.1
275.05676	1.0
299.14874	1.5
333.83856	1.1
352.08096	1.2
397.13446	30.7
398.13800	2.4
415.14597	23.6
416.14694	2.0
418.50137	1.0
443.19150	1.9
449.14343	3.8
551.08923	1.1
605.18353	2.5
623.25641	65.3
624.26160	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	623.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91278	1.0
55.01738	0.9
57.03307	1.8
58.00464	1.7
59.01247	34.5
59.30844	0.7
61.98699	1.3
63.92496	0.6
67.01761	1.2
67.57549	0.7
68.99676	2.5
69.03327	1.9
69.75308	1.7
69.75741	3.2
71.01254	25.3
72.99163	2.4
73.02818	4.0
75.00727	1.3
77.45953	0.6
80.02544	1.4
81.03325	4.1
81.68887	0.7
83.01241	3.4
83.04888	3.7
85.02829	10.8
87.00741	8.0
89.02309	20.5
93.03325	11.3
95.01254	1.6
95.04882	1.4
96.95880	3.3
97.02827	11.5
99.00750	3.9
99.04400	1.1
101.02315	17.5
107.04876	0.8
109.02839	2.2
109.06473	44.8
110.03599	2.1
110.06788	0.8
111.00769	1.3
111.04379	2.8
113.02322	7.5
119.03382	6.6
121.02869	1.3
121.06472	2.7
124.01558	2.0
125.02321	5.7
127.03876	2.1
131.03358	1.0
134.03638	3.2
135.04414	22.4
135.08067	4.3
136.05145	1.7
137.02333	2.2
139.03850	0.9
141.01833	1.1
142.02563	3.7
143.03372	3.1
149.02394	0.8
149.04495	0.9
150.03156	1.9
151.03876	3.7
155.03445	0.9
159.04451	0.9
161.02313	1.5
161.04468	3.4
161.05760	0.9
161.09590	2.1
163.03928	1.0
163.11197	21.2
164.11627	1.0
173.04477	10.6
175.03786	0.7
178.02641	1.2
179.03421	7.1
179.05438	4.2
179.45200	0.7
181.12250	5.2
187.07603	1.0
189.09145	2.5
190.99797	1.6
191.05528	65.2
192.05750	3.4
195.84525	0.8
206.02116	3.0
207.10196	100.0
208.10513	5.2
209.08037	1.1
209.11800	1.3
215.03348	0.7
221.06602	1.3
225.11261	75.5
226.11566	4.6
227.07004	1.5
235.08177	4.9
243.12389	1.9
253.09344	2.0
299.14792	1.8
307.08105	1.6
308.09076	5.4
323.10052	0.8
345.10083	1.1
352.07990	11.9
353.08374	1.8
397.13474	35.8
398.14017	2.3
415.14575	25.7
416.14902	1.8
443.19122	1.1
449.14944	4.2
461.19971	1.2
482.14383	1.7
503.73755	0.8
526.13116	6.5
527.13947	1.4
537.59552	0.9
581.04327	0.8
605.17560	1.1
605.25476	1.9
623.25708	63.0
624.26074	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	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.8
56.13152	0.3
57.03313	0.7
58.00466	0.9
59.01250	30.2
60.01592	0.4
61.39370	0.3
69.03304	1.1
69.44965	0.8
69.45376	2.7
71.01251	15.4
72.99176	1.3
73.02821	2.8
75.00727	0.4
80.02552	2.2
81.03338	1.8
83.01243	1.7
83.04889	6.1
84.02042	1.8
85.02811	4.1
87.00748	3.7
89.02316	14.5
93.03335	1.6
95.01279	0.6
95.04876	0.9
95.52097	0.3
96.95899	0.7
97.02823	2.8
99.00737	1.1
101.02319	12.1
105.16376	0.4
109.06467	0.6
113.02331	5.8
119.03380	4.6
125.02325	3.6
125.05962	0.8
131.03403	0.7
133.02890	0.5
135.04401	0.5
135.08060	0.8
143.03456	2.2
149.02292	0.5
161.02353	1.2
161.04465	3.0
163.11191	5.1
165.12778	2.8
173.04431	0.5
174.49211	0.4
179.03436	2.1
179.05557	3.2
179.06979	0.7
181.12245	0.8
191.05579	3.8
191.07123	0.8
191.10712	1.5
192.05783	0.4
193.05022	0.7
194.05809	2.4
195.06641	0.4
199.13347	2.4
207.10307	0.5
209.08163	8.6
209.11763	100.0
210.12093	5.3
221.06631	1.2
225.11243	0.8
227.12837	21.8
228.13208	0.9
235.08109	3.6
253.09279	1.3
263.07819	0.6
287.07800	0.7
300.95920	0.4
305.08731	1.0
397.13516	25.8
398.13889	1.7
415.08960	0.8
415.14581	14.9
416.14783	1.4
625.27496	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	625.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42362	0.5
58.00464	0.9
59.01248	15.6
69.03294	0.7
69.53902	1.4
69.54311	2.2
71.01248	10.5
72.99206	0.8
73.02804	2.3
73.39664	0.5
73.91716	0.5
80.02557	1.8
81.03331	1.9
82.51967	0.5
83.01243	1.2
83.04883	5.7
84.02027	1.2
85.02819	2.4
87.00732	2.6
89.02313	12.4
95.01284	0.5
95.04913	0.6
95.87440	0.5
97.02825	1.5
99.00744	0.7
99.19939	0.6
101.02309	9.3
103.00182	0.6
113.02310	3.9
119.03407	3.8
125.02322	3.8
125.05978	0.6
131.03384	0.7
143.03377	2.0
153.01277	0.6
161.04506	2.6
163.11189	5.1
165.12761	3.6
179.05518	1.7
179.73227	0.7
181.12218	0.6
191.10722	1.1
209.11757	100.0
210.12062	5.8
217.07127	0.9
221.06616	1.0
227.12827	13.3
228.13182	0.6
235.08115	3.7
253.09155	0.9
287.07779	0.6
305.08923	0.6
349.57370	0.6
379.94492	0.7
397.13467	16.6
398.13693	1.7
415.14536	11.4
416.14719	0.8
455.55087	0.6
471.87881	0.6
525.43921	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	625.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
57.03300	0.7
57.38145	0.3
58.00462	0.8
59.01249	14.6
69.03329	0.7
69.66880	1.2
69.67291	0.5
71.01250	12.4
72.99156	0.8
73.02808	1.6
73.64797	0.3
75.00755	0.6
80.02539	1.1
81.03355	1.6
83.01260	1.5
83.04401	0.3
83.04892	6.1
84.02035	1.3
85.02810	2.2
87.00745	3.2
89.02314	13.2
93.03334	0.6
95.01253	0.6
95.04903	0.9
96.95894	0.3
97.02836	1.7
99.00751	0.8
101.02315	11.5
104.53558	0.3
109.06448	0.3
111.00799	0.6
113.02314	5.4
119.03387	4.4
120.11327	0.3
120.99538	3.2
121.02890	0.4
122.99129	2.2
122.99927	0.6
125.02334	4.0
125.05955	0.6
131.03363	0.7
133.04947	0.5
135.04437	0.5
135.08031	0.7
137.02298	0.3
139.03821	0.4
143.03403	2.5
147.11740	0.4
149.04443	0.5
161.04471	2.9
163.11176	4.1
165.12767	2.7
179.05528	3.1
181.12248	0.4
191.05562	1.8
191.10660	1.7
199.13393	0.4
209.11758	100.0
210.12115	5.6
218.69148	0.3
221.06630	0.6
227.12822	18.2
228.13167	1.1
235.08182	4.7
251.13057	0.3
253.09277	2.1
263.07645	0.5
277.09296	0.5
287.07712	1.2
305.08841	1.2
323.09940	0.5
397.13480	28.3
398.13950	1.6
415.14569	18.1
415.18948	0.3
416.14862	0.9
491.99277	0.3
588.82318	0.3
607.26270	0.3
625.26990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
57.03318	1.6
58.00464	2.4
59.01246	100.0
60.01571	0.8
61.98701	1.7
67.01733	0.7
69.03323	1.0
69.39760	5.6
71.01247	46.5
72.01594	0.7
72.99174	3.4
73.02808	2.9
73.35086	0.7
75.00756	0.8
78.95747	0.7
83.01255	1.7
83.98586	0.6
85.02814	10.5
85.95818	0.6
87.00730	3.3
89.02312	59.1
90.02662	1.0
93.03314	3.5
95.01244	3.8
96.95898	1.3
98.20561	1.1
99.00771	0.6
101.02315	26.0
111.04415	0.8
113.02327	17.6
114.02765	0.6
119.03383	27.4
125.02325	0.8
127.03856	0.6
131.03372	3.1
135.04468	0.8
143.03410	5.1
149.04466	2.8
161.04446	5.7
173.04488	2.5
179.03952	1.0
179.05536	8.0
191.05522	12.9
191.07092	1.1
209.11772	1.0
242.01390	1.1
243.02138	1.5
257.03674	3.3
317.05850	11.7
318.06287	0.8
351.51965	0.8
358.98907	0.7
386.11871	1.4
404.12946	1.4
480.15332	0.6
548.17059	1.2
566.18359	1.5
626.34845	0.8
627.17651	1.1
643.33783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.7
57.03310	1.7
58.00463	2.4
59.01247	100.0
60.01577	1.2
61.98692	3.1
69.27734	9.0
71.01249	47.3
72.99178	4.1
73.02811	4.5
78.95787	1.1
79.44814	0.9
83.01250	2.6
85.02814	11.1
87.00739	3.5
88.82481	0.8
89.02312	62.4
93.03347	2.8
95.01252	2.6
96.95873	1.6
97.02811	1.7
98.19812	1.6
99.00748	1.1
101.02315	29.2
109.02847	1.2
113.02325	17.9
119.03380	25.7
120.99501	1.0
125.86251	0.9
126.51379	0.9
131.03387	3.1
141.65263	0.8
143.03416	5.3
149.04480	2.3
152.99469	0.9
161.04439	6.7
173.04433	3.2
179.05508	10.6
191.05519	11.7
209.11671	1.8
213.12329	0.9
214.90855	0.8
242.01433	1.2
243.02098	2.5
257.03622	4.3
259.05295	3.3
286.83643	1.0
317.05789	11.9
342.09250	1.5
386.11469	1.3
404.12720	9.3
405.12863	1.4
435.10526	1.9
435.54434	1.1
548.16675	1.7
566.17950	12.1
567.18097	1.9
626.26788	1.5
627.17456	1.4
627.28259	1.8
639.76154	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	626.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56472	1.7
52.73176	1.7
55.01745	2.8
57.03320	2.0
59.01245	100.0
61.02823	2.0
61.98693	2.6
71.01243	31.4
71.35593	2.4
71.35932	2.4
72.99177	2.3
73.02822	9.7
76.11404	1.6
78.95757	2.6
83.01256	7.4
85.02814	15.6
86.02367	3.5
87.00758	3.6
89.02331	9.1
93.03324	4.0
95.01227	2.3
96.39307	1.7
96.95921	2.8
99.00751	5.8
101.02316	31.9
113.02310	12.0
119.03371	6.2
120.99558	2.7
152.99547	2.5
159.02901	4.7
161.04453	9.7
173.04523	2.3
178.81076	1.6
189.56821	1.7
191.05479	14.3
223.08151	7.5
242.01366	2.3
243.02019	3.3
244.02899	21.2
245.03531	5.5
257.03677	4.4
259.05289	37.1
285.03262	5.0
300.05609	3.3
312.04318	4.4
314.05875	1.9
342.08801	11.6
360.10074	6.5
374.07602	3.0
376.09698	4.0
379.59686	2.1
404.12646	74.0
405.13019	11.2
550.14758	4.1
566.17920	93.2
567.18164	15.6
603.60883	1.9
626.25909	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	62.9
65.00172	2.9
67.01749	2.8
68.99677	3.6
69.74826	18.9
71.01257	10.6
72.99176	3.2
74.98936	3.6
75.00753	4.0
85.02835	6.9
85.31764	2.5
87.00733	6.1
89.02323	6.5
93.03328	11.3
96.95920	5.7
98.19854	4.1
101.02325	10.4
107.01278	4.3
109.02818	4.7
111.00758	7.9
113.02365	3.2
117.97237	3.0
119.85558	2.9
121.02827	6.0
122.03622	4.1
123.00801	4.6
124.98662	3.3
125.02380	4.2
133.02831	8.2
135.00734	3.0
135.04410	11.8
139.00255	6.9
143.04971	3.6
149.02332	27.5
150.03122	35.9
151.00304	14.8
154.99753	4.9
155.03430	3.2
159.04356	5.4
161.02347	10.2
163.00301	3.5
164.04688	7.3
165.05478	56.4
166.99773	3.2
169.01357	3.2
171.04448	4.0
173.04483	6.0
174.03125	5.3
175.03957	6.7
177.01822	5.0
177.99008	4.8
178.99773	15.6
179.03410	10.1
180.04155	4.5
185.11705	7.7
187.03908	8.8
189.01822	5.3
191.05536	40.6
194.05779	8.8
195.06555	82.3
199.03888	5.7
201.01814	5.5
203.03436	12.6
209.00954	3.2
209.08144	29.9
209.11708	13.7
210.12090	7.3
211.12358	4.9
215.03426	7.2
219.02940	4.3
229.14388	5.3
231.02901	7.0
232.03702	9.0
243.02910	12.6
259.02417	13.0
271.02499	27.9
272.03156	5.6
286.01080	5.6
287.01984	37.8
288.02676	6.9
299.01953	18.6
300.02557	4.6
314.00391	4.1
315.01428	100.0
316.01779	9.6
332.01617	21.1
333.02396	10.6
342.10638	3.4
345.22772	8.0
346.58447	3.9
357.13443	37.7
405.15582	17.6
433.10294	3.3
443.92017	3.3
515.11090	2.7
527.13702	5.8
555.13391	3.5
557.92432	3.1
583.12860	5.5
609.10718	7.8
627.11572	30.9
627.24841	10.4
628.12341	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	627.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44005	2.9
53.07387	3.0
59.01235	5.7
64.79346	3.0
66.13933	3.2
69.59660	21.9
71.01250	12.7
73.02818	8.7
85.02799	4.5
87.00751	30.7
96.82954	3.1
96.95935	3.9
97.02831	4.5
98.19838	5.8
99.00768	5.0
100.01541	3.5
101.02316	4.2
107.04929	3.3
107.64901	3.0
109.02834	5.3
111.00750	10.7
111.12184	3.1
112.98697	4.0
123.00768	7.5
137.02376	16.4
142.99689	3.4
151.03847	3.2
161.02344	6.8
163.03841	5.0
164.00992	3.1
164.04721	7.4
165.00470	6.8
165.01842	100.0
166.02487	9.4
173.00824	6.9
174.01610	5.9
175.03941	3.4
176.04744	4.2
177.01712	3.3
179.03397	27.4
179.06953	7.0
180.04213	60.0
181.04944	9.3
190.02626	3.4
191.03439	6.1
191.05440	7.3
192.91556	3.0
194.05751	10.1
195.06561	76.1
196.06883	4.6
206.05820	6.0
209.08064	6.2
210.05351	16.3
219.02689	4.0
219.34035	3.3
221.08264	5.4
223.26436	3.5
225.07645	47.5
249.07736	3.2
261.04141	3.5
262.04810	5.4
264.06396	7.1
265.07202	5.3
277.07120	9.0
278.07385	3.8
337.09293	40.0
399.14655	4.5
454.28082	3.2
487.74890	3.9
491.15356	23.5
563.17676	6.6
609.18365	12.3
627.19348	68.7
628.19806	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	627.2096
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
59.01229	1.0
61.98677	0.8
65.70563	0.8
73.02802	1.6
78.95795	1.1
96.95917	1.3
98.19823	2.0
103.23453	0.9
113.04688	0.9
140.80957	1.0
191.05536	2.6
209.11636	1.4
223.74626	0.9
233.68666	1.0
253.72812	0.9
348.96664	0.9
451.13800	1.6
452.14749	5.0
453.15210	1.0
480.14328	1.6
481.15002	8.5
482.15317	2.9
495.16739	18.2
495.23560	1.7
496.16943	2.3
508.17273	3.0
509.18381	1.4
521.14459	1.6
523.19812	1.3
535.16516	2.2
536.16760	2.1
540.15881	4.2
540.23523	1.3
551.19391	42.8
551.43286	1.1
552.19452	9.3
568.16510	1.3
572.15454	3.0
586.16833	2.7
595.18311	10.2
596.18616	1.8
626.27582	1.4
627.20898	100.0
628.21313	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	627.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
68.46681	5.8
71.01255	47.6
71.57441	11.7
72.50119	5.7
80.96365	6.3
83.01267	7.3
87.00789	9.8
89.02316	75.3
101.02322	27.2
111.00721	8.8
113.02316	28.6
119.03407	30.9
165.01796	11.6
179.05531	38.5
195.06593	7.5
221.73363	7.1
322.04407	7.4
491.15430	6.9
545.74890	8.4
567.26544	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	629.3538
Annotation	3,13-Di-O-beta-D-glucopyranosilgeranyllinalol
Peak:m/z	Relative Intensity
51.28308	1.0
55.01758	5.7
57.03313	2.9
58.00457	1.6
59.01250	34.3
61.98684	3.2
68.99705	1.2
69.03305	1.3
70.02117	1.0
71.01248	71.5
71.58911	1.7
72.99163	4.2
73.02813	18.8
75.00755	1.2
78.95744	1.6
82.70609	1.0
83.01244	12.4
85.02332	2.3
85.02822	30.2
87.00761	6.0
89.02307	20.5
93.03327	1.7
94.59913	1.0
95.01252	4.6
96.95869	3.1
97.02819	2.5
97.51885	1.0
99.00755	8.6
101.02316	66.1
101.38280	1.1
109.06544	1.1
111.04425	1.5
111.31146	1.1
113.02331	28.5
119.03381	9.8
121.02933	1.2
125.02340	2.2
131.03432	1.5
133.02802	1.4
135.04387	1.4
143.03401	4.4
151.00299	1.1
152.99467	1.1
159.02885	4.1
161.02414	1.2
161.04462	30.3
167.10651	1.1
171.10222	2.1
173.04437	2.7
179.05573	6.0
191.05528	15.5
197.75159	1.1
199.09576	2.5
202.68985	1.1
205.03539	1.3
209.11745	3.2
211.13408	2.7
253.09056	1.5
271.06097	1.4
320.73950	1.2
431.61346	1.2
467.30142	36.7
468.30432	3.0
470.12540	1.6
511.29013	1.9
513.82587	1.2
629.35400	100.0
630.35583	18.7
652.96484	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	630.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86697	0.3
58.02842	5.4
59.00988	0.4
59.01250	5.4
61.98694	2.0
66.03357	0.7
67.01720	0.4
70.02840	0.7
71.01249	7.4
71.53638	0.4
72.00775	1.0
72.99173	0.6
73.02809	1.6
74.02341	12.2
81.03349	0.4
81.04445	0.4
82.02855	1.1
83.01252	0.5
84.04424	0.4
85.02823	3.5
86.02346	4.5
86.05967	0.6
86.98963	0.6
87.00732	1.2
87.05502	2.6
89.02315	6.5
90.00050	1.3
92.26465	0.3
93.03356	1.8
95.01244	0.4
96.04446	0.4
96.95885	1.3
97.02850	0.6
97.03946	1.1
98.02358	0.5
99.00780	0.4
99.05515	9.7
101.02322	3.2
101.07062	1.3
102.05491	1.2
107.06045	0.7
108.78281	0.3
109.03956	1.3
109.07593	0.6
111.00763	1.1
111.05488	0.8
112.03942	1.5
113.02322	2.0
113.07045	0.3
116.01588	0.7
119.03408	0.4
120.01128	0.5
121.02871	0.4
123.05527	1.0
124.03931	0.8
125.02323	1.1
125.03449	1.5
126.01816	0.3
127.04072	0.5
127.05022	2.2
128.03426	29.8
129.03781	0.7
131.03389	1.5
131.04430	0.6
133.02824	0.7
134.03194	0.3
135.04448	0.8
135.05533	2.3
135.08107	0.4
137.02347	0.6
137.07053	0.5
140.73935	0.3
141.06601	2.5
143.04518	40.6
144.04875	0.9
145.06064	2.1
146.04468	4.0
149.04465	2.0
149.07150	0.5
153.06596	3.2
160.00642	10.7
161.04477	2.0
166.09793	2.1
167.04546	3.4
167.08136	1.3
170.03238	0.4
171.04079	0.5
171.07718	0.7
173.04433	2.0
177.01945	0.6
177.03304	3.7
179.04536	8.2
181.06158	1.6
184.09311	0.3
184.10851	0.6
185.05586	1.4
191.05542	9.8
192.05878	1.0
192.07550	0.6
193.06076	0.5
197.05640	0.9
198.08797	0.8
199.57747	0.4
209.11833	0.6
210.08763	8.8
230.14914	0.5
233.06523	0.7
242.05411	0.3
242.07758	1.1
254.07802	10.1
255.08044	0.8
257.05917	0.4
272.08865	17.3
273.09109	1.0
288.06619	6.8
293.08749	1.4
306.07635	100.0
307.07901	5.7
355.23471	0.4
383.18530	0.4
439.11978	0.5
449.14935	0.4
544.63696	0.4
571.15778	3.6
587.60547	0.4
612.18274	0.5
630.39166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01878	0.5
55.81301	0.5
58.02844	5.1
59.01234	2.3
61.98695	1.0
70.02840	0.5
71.01250	2.6
71.58791	1.2
72.00777	0.5
72.99172	0.8
74.02340	10.9
75.00757	0.5
81.04458	0.5
81.32337	0.5
82.02861	1.3
85.02814	2.4
86.02343	4.3
86.05894	0.6
86.98974	0.8
87.00737	1.2
87.05504	3.1
89.02307	1.4
90.00054	0.8
93.03352	2.8
96.95898	3.5
97.03934	0.9
99.05511	8.2
101.02310	1.1
101.07073	1.5
102.05463	1.5
109.02822	0.7
109.03954	1.9
109.06486	1.0
112.03923	0.5
113.02314	0.6
116.01630	0.9
120.01144	0.6
122.03533	0.6
123.05476	0.8
124.03951	0.7
125.03435	0.9
127.03935	0.8
127.04996	1.8
128.03418	26.8
133.02837	1.8
135.04497	0.9
135.05508	2.2
135.08064	1.4
137.02367	0.6
139.03923	0.6
139.04962	0.6
141.06578	1.9
143.04514	36.8
145.06023	1.2
146.04509	3.1
149.07124	0.7
153.06586	2.8
160.00642	11.0
166.09763	1.9
167.04494	2.4
167.08191	1.6
173.04451	2.8
177.03279	3.3
179.03168	0.8
179.04549	7.8
181.06096	1.1
182.07643	0.6
184.10783	1.1
185.05646	0.9
191.05530	19.4
192.05872	2.4
192.07568	0.9
197.05623	1.2
201.11275	2.0
202.11662	1.0
207.10178	0.7
209.11754	1.8
210.08786	7.6
210.11891	0.9
210.35414	0.6
242.07817	1.5
250.06134	0.6
254.07761	9.5
272.08865	17.3
273.09073	0.7
288.06549	7.0
306.07629	100.0
307.07919	5.3
449.14444	1.0
532.15631	0.7
612.17804	0.7
630.19086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30459	0.8
57.03312	1.5
59.01248	19.8
68.99695	1.5
69.03313	2.0
71.01254	13.7
71.04874	1.1
73.02816	1.8
80.02540	2.8
81.03320	6.6
83.01279	0.8
83.04892	8.3
84.02061	1.3
85.02819	1.6
87.00770	1.3
89.02320	4.2
93.03349	1.9
95.01216	1.4
95.04912	3.0
96.36391	0.8
97.02827	14.5
97.06461	1.6
98.20554	1.8
99.00728	1.6
101.02316	4.5
106.04071	1.0
107.04877	1.8
109.06468	79.5
110.03610	4.4
110.06821	1.9
111.04397	1.6
113.02307	1.6
119.03362	1.0
121.02832	2.4
121.06471	5.2
123.04385	3.0
123.08071	1.1
125.09587	5.0
133.06445	0.9
135.08054	11.2
136.05193	3.0
139.00352	1.1
142.02603	7.4
145.10127	1.3
151.07468	1.3
155.03406	3.4
155.10632	0.9
161.09639	5.1
163.11186	39.5
164.11522	2.0
165.09123	1.4
171.10208	6.7
179.10678	2.4
181.10760	1.5
181.12242	17.6
182.12486	1.5
185.11761	3.3
187.09669	2.7
189.09120	1.5
191.05531	2.1
197.11725	3.0
199.09654	7.3
207.10188	100.0
208.10526	6.3
209.11687	1.3
225.11263	36.6
226.11729	3.1
243.12285	3.4
311.92334	1.0
316.14835	0.8
439.26135	1.0
631.29541	5.7
632.30194	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	631.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37570	0.6
55.01738	0.7
57.03315	2.0
57.96627	0.6
58.00465	3.3
59.01248	83.8
60.01582	0.8
61.98700	1.5
67.01743	0.9
69.03327	0.7
71.01250	59.3
71.58906	1.0
72.99170	3.5
73.02814	7.4
75.00716	0.9
81.03326	1.6
83.01260	1.8
83.04882	1.6
85.02823	9.0
85.99962	0.8
87.00758	6.6
88.98689	1.0
89.02314	90.7
90.02626	1.1
93.03323	3.2
95.01251	0.9
95.04890	0.7
96.95886	2.6
97.02826	3.4
99.00743	1.7
101.02319	43.7
109.02749	0.8
109.06475	17.8
110.03595	1.3
111.00795	0.8
111.04424	1.2
111.55483	0.6
113.02328	10.9
119.03371	7.1
119.06441	0.6
121.02840	0.9
121.06448	1.7
123.04427	0.9
123.07978	0.9
125.02361	1.3
125.09619	1.7
131.03391	35.6
135.04353	0.9
135.08055	1.5
136.05206	0.9
142.02658	1.4
143.03413	2.0
149.04456	100.0
150.04803	2.1
161.04436	2.5
161.09665	0.8
163.11191	8.9
165.09055	0.8
171.10138	2.8
173.04472	2.4
175.03827	0.9
181.12187	3.6
185.11794	1.6
187.07651	0.7
187.09685	1.3
191.05540	29.1
192.05922	1.5
197.11858	0.9
199.09683	2.1
201.11261	1.3
207.10196	21.4
208.10596	1.5
209.11801	2.0
211.13283	1.6
225.11314	7.8
251.07730	1.6
281.08948	0.7
293.08780	1.1
307.19214	1.7
311.09723	3.3
571.31982	1.0
631.29596	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	631.4
Annotation	Methylene-bismehranine
Peak:m/z	Relative Intensity
58.96289	1.2
70.05067	1.0
70.60995	3.4
77.24074	1.0
78.40601	1.3
78.95766	2.3
85.98914	1.0
88.12876	1.0
89.23444	1.1
95.04917	2.0
105.03347	7.9
132.02051	4.8
133.02844	51.2
134.03249	1.3
142.64751	1.0
160.01567	18.2
175.03894	18.7
175.05275	1.7
176.04259	1.5
177.01819	9.2
178.02330	1.4
196.96922	1.1
196.99098	1.0
209.11600	2.3
395.14606	3.7
417.56445	1.3
616.37622	27.8
617.37946	6.1
631.40002	100.0
632.40375	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	631.4002
Annotation	Methylene-bismehranine
Peak:m/z	Relative Intensity
52.10506	0.6
53.40129	0.6
60.41509	0.6
69.24883	0.6
71.58984	1.0
78.95760	2.6
95.04890	1.7
105.03347	7.2
118.32291	0.7
119.04875	0.7
123.04424	1.0
132.02042	4.8
133.02840	47.8
134.03172	1.3
136.01500	0.6
147.04459	0.7
149.02321	0.8
160.01564	17.3
175.02484	1.1
175.03908	16.0
177.01836	6.4
188.06757	0.6
191.05602	0.9
199.73320	0.6
246.18013	0.6
279.31949	0.6
295.92249	0.6
301.59744	0.6
307.19052	1.0
405.06235	0.6
616.37524	23.7
617.37933	4.8
631.39966	100.0
632.40314	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	632.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00185	0.4
57.66323	0.5
58.02843	5.3
59.01249	3.6
59.51589	0.4
60.01583	0.6
61.98695	1.1
67.05400	0.4
68.00899	0.4
69.03320	0.9
69.44740	0.4
70.02840	0.6
71.01242	3.5
72.00756	0.7
73.02811	0.7
74.02340	13.0
81.03316	1.1
81.04440	0.7
82.02857	1.1
83.04924	0.9
84.04425	0.5
85.02808	1.4
86.02337	4.2
86.98994	0.8
87.00750	1.5
87.05506	2.4
88.03918	0.6
89.02303	1.8
90.00069	1.3
93.03332	2.3
95.01261	0.6
96.95873	4.8
97.02827	1.8
97.03935	0.8
98.02370	0.6
98.95444	0.5
99.00729	0.7
99.04915	0.9
99.05517	11.0
99.92109	0.5
100.00230	0.6
100.04002	0.4
101.02309	1.8
101.07085	1.3
102.05482	1.3
107.06072	0.5
109.02837	0.5
109.03943	1.4
109.06465	4.9
110.06791	1.5
111.05521	0.9
112.03926	1.1
112.19196	0.4
113.02363	0.7
113.03442	0.6
116.01654	1.0
119.03322	0.5
121.02850	0.5
123.05518	0.7
123.08016	0.5
124.03913	0.6
125.02238	0.5
125.03441	1.2
125.09604	2.4
127.05027	2.0
128.03421	28.2
131.04527	0.8
133.02756	0.7
134.03653	0.4
135.04480	0.8
135.05521	2.0
135.08034	1.0
136.08365	0.6
139.04997	0.5
141.06589	2.3
143.04514	36.4
144.04845	0.7
145.06088	1.9
146.04475	3.9
153.06570	3.3
153.12656	0.5
155.03389	0.6
155.08170	0.7
160.00644	10.3
163.11176	2.0
164.11555	1.2
166.09758	1.4
167.04556	3.7
167.08165	1.5
170.03212	0.6
171.07806	0.6
171.10118	2.5
173.04488	2.1
177.01927	0.7
177.03362	3.5
179.04533	8.4
181.06053	0.9
181.12241	1.0
184.10753	0.7
185.05626	1.4
187.09671	0.8
191.05539	10.8
192.05928	1.2
192.07710	0.9
197.05615	1.5
198.08696	0.5
199.09589	0.5
207.10194	4.3
208.10568	3.4
209.11801	5.3
210.08781	6.9
221.08084	0.9
225.11275	2.2
226.11700	1.5
227.12801	1.7
242.07686	1.1
254.07813	10.0
272.08856	16.6
273.09201	0.8
288.06622	7.5
306.07626	100.0
307.07892	5.1
337.00000	0.5
434.26193	0.5
463.33868	0.4
632.29993	2.0
633.31561	2.1
651.36890	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	632.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61138	0.3
58.02845	4.6
59.01250	2.0
61.98678	0.8
67.02925	0.3
69.03322	0.5
70.02845	0.9
71.01245	2.0
71.19682	0.3
71.20004	0.6
72.00774	0.6
73.02770	0.4
73.03957	0.5
73.09366	0.3
74.02341	12.0
81.04453	0.4
82.02849	1.8
83.02383	0.3
84.04430	0.5
85.02825	1.1
85.03940	0.6
86.02341	4.1
86.05952	0.5
86.98971	1.0
87.00762	0.8
87.05501	2.8
88.03898	0.8
89.02309	1.0
90.00053	1.3
93.03332	1.6
96.95889	2.5
97.03950	1.4
99.05515	10.2
100.03880	0.4
101.02324	1.0
101.07077	1.9
102.05492	1.3
107.06033	0.4
109.03964	1.8
109.06464	1.0
109.07581	0.4
111.04403	0.6
111.05531	0.8
112.03899	1.5
113.02318	0.7
113.03464	0.6
113.07101	0.4
116.01611	1.0
120.01128	0.4
120.05689	0.8
123.05527	0.9
124.03924	0.6
125.03453	1.9
125.09592	0.8
127.05022	1.3
128.03430	26.1
129.03766	0.4
129.99562	0.3
130.06050	0.4
131.03433	0.4
131.04529	0.9
135.04552	0.4
135.05533	2.8
135.08026	2.3
136.08385	0.6
137.07086	1.0
139.05054	0.4
141.06573	2.5
143.04524	37.5
144.01051	0.3
144.04904	0.8
145.06078	1.3
146.04504	3.2
149.04433	0.5
153.06610	2.8
155.08141	0.9
160.00648	10.2
161.04541	0.4
163.11194	0.4
166.09781	1.5
167.04533	2.9
167.08159	1.5
169.09633	0.4
171.04015	0.5
171.07681	0.6
171.10147	0.5
173.04456	1.0
177.03281	4.1
179.04536	8.2
181.06096	1.2
184.10834	0.6
185.05605	0.9
191.05539	6.0
192.05888	0.7
192.07713	1.0
197.05635	1.2
198.08725	0.5
207.10204	0.9
208.10574	0.8
209.11783	1.7
210.08755	7.6
225.11246	0.6
225.13403	0.5
227.12796	1.0
228.09830	0.6
231.04321	0.5
236.06918	0.3
242.07797	1.1
242.54787	0.3
243.14651	0.7
254.05095	0.4
254.07791	8.7
255.08118	0.4
272.08868	16.5
273.09384	0.7
288.06583	6.3
289.06808	0.4
299.20740	0.4
306.07635	100.0
307.07950	5.1
359.89182	0.3
361.78961	0.3
413.25073	0.4
465.76053	0.3
477.30606	1.0
478.30997	0.9
483.98535	0.3
492.27460	0.3
566.32959	6.2
567.33221	0.8
631.40454	0.4
632.41046	0.6
634.36694	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	633.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47321	0.8
59.01248	13.4
67.01765	2.8
68.99695	1.9
69.03322	5.0
69.57198	5.4
71.01248	19.5
72.99185	2.3
73.02804	1.2
85.02831	3.1
87.00750	32.5
89.02310	1.9
93.03333	3.2
101.02309	7.1
113.02352	3.7
115.00256	56.7
116.00587	1.0
117.57371	0.9
121.02833	2.4
121.06500	2.5
123.04380	1.2
127.03899	12.9
137.02327	1.2
149.02412	1.5
149.05969	1.3
153.05481	8.7
173.06050	0.9
175.02393	100.0
176.02705	2.7
181.04927	6.6
225.03972	3.3
445.88513	1.0
457.13498	55.3
458.13840	3.0
485.91092	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	633.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.8
57.03323	4.5
59.01246	7.5
60.33273	0.4
66.03062	0.4
68.62000	0.4
69.03333	1.1
70.58006	1.2
71.01248	6.5
71.04877	0.5
72.99152	0.8
73.02814	1.1
77.61168	0.4
80.47710	0.5
81.03334	1.4
83.01257	1.0
83.04901	3.5
84.02051	0.6
85.02831	2.7
87.00738	1.1
89.02315	5.0
93.03334	1.8
95.04902	1.5
96.95880	2.6
97.06467	13.6
98.06808	0.6
99.00777	0.9
101.02331	4.9
109.06502	1.6
111.04417	0.6
113.02315	3.0
116.99897	0.4
119.03378	1.7
121.02891	0.8
123.08047	8.4
125.09609	100.0
126.09951	3.5
135.04405	0.8
135.08076	0.7
140.71144	0.5
143.03404	1.0
143.10684	1.3
155.03329	0.8
161.04495	1.1
163.11169	3.0
165.01778	0.5
165.12720	1.5
169.08647	2.7
171.10182	2.4
173.04482	0.8
179.05501	1.7
187.09673	79.6
188.09982	3.5
191.05551	6.4
201.11255	1.3
202.54417	0.4
207.10280	1.4
209.11765	32.7
210.12102	2.0
211.09627	0.7
211.13477	0.5
225.11272	0.7
227.12863	5.3
253.04799	0.6
253.09309	2.9
261.13312	2.1
306.07593	0.8
307.07922	0.8
405.17679	5.7
406.18082	0.6
423.18698	24.8
424.19040	1.9
471.25989	1.5
615.30280	5.6
616.30682	0.6
633.31219	77.6
634.21741	0.8
634.31586	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	633.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.9
58.00479	0.8
59.01250	2.3
61.48261	0.3
67.57188	0.3
69.03324	0.8
71.01263	1.0
71.04897	0.6
73.02812	0.7
78.95788	1.1
80.02572	1.5
80.49824	0.4
81.03340	0.7
83.04922	1.7
84.00518	0.4
84.02087	0.6
85.02834	0.9
87.00755	0.5
87.04395	0.7
95.04903	0.8
96.95866	1.9
97.06459	2.7
98.03624	0.6
98.20638	0.7
107.04915	0.8
109.06501	1.1
110.03656	1.2
111.08044	8.7
113.02310	0.3
113.06015	0.4
116.87084	0.4
119.03429	0.7
119.04858	0.4
121.02857	0.6
121.06509	1.2
123.04383	2.0
123.08047	7.2
124.08405	0.4
125.06002	1.0
125.09602	17.6
126.09968	0.5
127.07535	0.5
127.11165	6.3
135.04385	0.5
135.08078	1.2
137.09615	6.9
137.10603	0.7
139.11192	2.9
141.09126	1.7
142.02614	1.1
145.02815	0.7
148.08778	0.4
149.06018	0.7
149.09604	1.0
151.07593	0.6
151.11168	4.9
152.99548	0.5
153.09111	3.8
155.10657	2.7
155.14342	1.4
160.84171	0.6
162.83823	1.2
163.11220	0.5
164.08330	1.7
165.09155	2.3
165.12802	0.9
167.10649	0.6
169.08592	0.9
169.12292	0.6
170.81941	0.4
171.10173	10.2
172.10574	0.4
177.09155	1.1
177.12723	0.8
178.09723	0.4
181.12267	0.9
183.10237	1.1
185.11725	0.8
187.09685	0.9
191.14395	1.0
195.10179	3.0
199.09662	1.8
199.13329	9.6
201.11238	44.3
202.11562	2.0
207.10272	0.4
209.11736	3.0
213.11258	29.6
214.11600	0.9
219.10245	1.5
221.11795	0.6
223.17593	0.4
227.12805	4.8
233.15465	0.7
237.11269	0.7
238.12018	1.0
245.19058	5.3
247.16917	0.9
250.12103	1.1
252.13571	0.7
255.16039	0.5
263.20157	1.2
267.16187	0.4
271.16931	1.2
275.42892	0.4
279.19586	0.8
289.18073	41.9
290.18341	3.7
305.17468	0.6
307.19119	82.6
308.19437	6.5
309.20737	0.4
325.20157	100.0
326.20523	8.4
568.12860	0.5
633.38965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29940	0.4
55.31970	0.3
59.46162	0.4
63.72147	0.4
77.03855	0.5
78.95776	5.6
92.44704	0.4
95.04911	2.2
96.96851	0.6
97.06482	0.6
98.20583	1.4
105.03339	7.1
106.03691	0.5
123.04394	0.8
125.09612	0.6
132.02034	4.4
133.02844	46.6
134.03233	1.4
139.11147	0.5
147.04373	0.5
149.02298	0.5
151.03915	0.6
152.99469	4.9
160.01558	15.4
160.28590	0.4
161.01891	0.7
171.10223	2.5
175.03922	13.3
177.01840	6.1
199.09647	0.8
199.13272	0.5
201.11136	0.5
207.10144	0.5
225.11377	0.5
225.14896	0.6
230.71808	0.5
255.23276	0.6
267.12396	0.4
291.19638	2.4
309.20712	8.6
310.20990	0.4
311.22070	0.6
341.23282	5.1
342.23633	0.8
379.11603	1.2
397.12439	1.4
618.39203	22.0
619.39240	4.5
633.41571	100.0
634.41943	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	633.415
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27196	7.0
69.27603	1.5
75.01938	0.8
78.95766	4.3
89.03825	1.0
95.04910	2.1
105.03332	8.4
132.02040	3.3
132.48994	0.8
133.02844	50.9
134.03734	0.9
147.04399	1.0
152.99461	3.3
160.01555	17.0
175.03899	14.7
177.01877	8.8
191.05357	0.8
229.37364	0.9
237.81213	0.8
237.85081	0.9
255.23236	1.5
291.19611	1.8
618.39258	24.0
619.39478	4.8
633.41577	100.0
634.41919	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	635.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65422	0.6
57.03326	6.8
58.00466	1.3
59.01240	2.2
69.03307	1.2
69.53400	5.1
73.02808	1.1
78.95770	2.6
83.04884	1.2
85.02834	1.1
87.04392	1.0
95.34252	0.6
97.02846	0.7
97.06453	3.5
98.03609	0.9
109.06460	1.6
110.03600	0.8
111.08035	6.1
113.09600	11.5
121.06474	0.7
123.04411	1.9
123.08059	6.3
125.05946	1.3
125.09604	17.9
126.09968	0.8
127.07549	0.7
127.11182	9.3
135.08047	1.2
137.09627	6.3
139.11197	4.4
141.09091	3.8
141.12727	0.8
143.10747	0.6
149.09554	1.1
151.07626	1.1
151.11157	7.0
152.99507	1.9
153.09128	3.8
153.12708	0.9
155.10661	5.1
155.14296	1.4
157.12204	0.8
163.11162	0.6
164.08371	1.2
165.09180	3.0
165.12726	1.2
167.10681	1.5
169.01265	0.8
169.12230	1.1
171.10193	11.1
177.09000	0.8
177.12756	1.4
178.99802	0.9
183.10251	2.6
185.11711	2.0
187.09601	0.8
191.05408	0.8
191.14388	1.1
195.10237	5.1
197.11646	1.0
199.09663	3.8
199.13312	8.2
201.11247	82.9
202.11598	2.3
209.11765	2.4
213.11255	50.3
214.11612	1.8
221.11804	1.6
227.12845	6.6
245.19096	5.3
247.20671	2.8
250.12096	0.9
263.20090	1.2
265.21637	0.8
271.17084	1.9
273.18854	0.6
289.18085	29.8
290.18301	2.3
291.19638	33.2
292.19998	2.2
295.82791	0.7
307.19131	56.9
308.19449	3.2
309.20682	36.8
310.21063	2.7
325.20166	57.3
326.20517	4.3
327.21732	100.0
328.22079	7.6
383.52191	0.7
492.01544	0.7
619.81732	0.7
635.40216	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	635.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04798	0.4
57.03308	1.7
59.01234	0.6
62.37138	0.4
69.03330	0.8
69.75851	0.4
70.61201	0.9
70.61569	0.8
71.01247	1.6
78.95779	0.8
80.96385	1.1
83.04877	0.6
84.02033	0.4
85.02814	4.7
89.02328	0.5
95.04883	0.8
95.32558	0.4
97.06464	3.6
98.20508	0.5
101.02301	0.5
105.53921	0.4
107.04887	0.5
109.06487	0.5
110.03616	0.7
111.08061	0.5
111.57279	0.4
121.06467	0.6
123.04387	1.0
123.08042	3.2
123.11626	0.5
125.09596	1.4
127.11185	1.1
137.09601	1.5
139.11136	1.1
142.02623	0.6
145.02875	0.5
149.09608	0.8
151.11177	1.0
152.99553	0.4
153.09108	0.7
155.14299	1.2
165.12695	0.6
167.10695	0.5
167.14354	0.6
171.10165	12.1
172.10426	0.6
175.11227	0.5
177.12761	1.2
183.13794	3.1
185.11688	1.2
191.05498	0.9
193.12198	1.0
197.11891	0.8
199.13318	6.2
201.11253	1.4
209.11758	1.6
211.13326	16.2
212.13799	0.7
213.11244	0.5
217.15974	0.6
221.11748	2.4
225.00760	0.6
227.12914	0.9
229.14389	10.4
230.14824	0.5
239.12860	1.8
245.19141	3.2
247.16925	0.5
271.16916	0.5
285.23663	0.4
289.18082	16.3
290.18338	1.4
291.19656	2.7
307.19141	33.3
308.05460	0.5
308.19528	2.2
309.20685	1.6
325.20328	1.0
327.21738	100.0
328.22153	5.3
399.21841	0.5
440.42819	0.4
488.51508	0.5
577.26904	1.1
635.30389	1.2
635.41351	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	636.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
57.03304	1.5
58.00458	0.8
58.75741	0.5
59.01247	25.3
60.47282	0.7
60.99181	1.0
61.98683	1.6
67.01746	0.9
68.99670	0.6
69.03329	1.2
70.02835	0.8
71.01254	16.6
71.04890	1.5
71.59274	1.0
72.99165	2.2
73.02815	1.5
75.00767	1.1
81.03339	0.9
83.01246	0.9
83.04882	4.3
84.01871	0.6
85.02811	7.8
86.02335	0.6
87.00748	3.4
88.64667	0.5
88.98630	0.5
89.02313	12.7
89.02829	1.0
93.03313	6.8
95.01250	1.5
96.95896	3.5
97.06467	0.6
98.02341	1.5
101.02314	10.7
108.08062	1.3
109.02821	0.8
109.06451	1.6
111.04357	1.5
113.02304	5.4
118.97961	0.7
119.03379	4.7
121.02776	0.6
126.09119	2.2
127.03877	1.3
135.04417	1.6
136.07562	1.3
140.25938	0.7
154.08640	1.2
155.10690	1.0
161.04468	0.8
169.12277	0.7
173.04478	4.2
181.15921	4.2
187.03966	0.8
191.05531	32.9
192.05861	1.6
195.17477	1.2
210.06847	0.6
228.07860	0.8
244.12448	0.6
246.08838	0.6
253.04588	0.9
255.19664	0.9
257.21191	6.8
262.57178	0.6
283.13419	1.8
302.23300	1.2
303.21603	0.7
309.14996	2.7
327.12418	0.8
327.16071	1.0
328.24841	1.6
344.24478	1.2
352.01071	0.6
353.13846	1.2
357.25491	0.6
371.14914	0.9
382.29736	1.0
392.95990	0.6
412.30643	1.5
430.31503	0.8
445.18686	7.3
456.29578	1.2
463.19962	0.7
605.18365	0.7
618.18463	0.6
619.23676	0.8
636.35986	100.0
637.25641	0.9
637.36487	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	637.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11769	0.7
59.01247	64.8
60.01589	0.9
69.03331	1.0
69.44074	0.6
71.01250	4.3
71.58540	0.8
73.02800	1.0
83.01279	0.7
85.02813	2.4
87.00731	1.9
89.02325	1.9
93.03316	3.0
96.95887	2.8
99.00750	1.4
101.02317	2.7
112.28014	0.6
113.02298	1.2
119.03364	1.0
123.04469	0.8
130.81851	0.7
135.04428	1.0
139.43300	0.7
161.02330	7.8
163.00267	13.0
173.04453	1.8
176.04691	5.5
177.01770	0.8
179.03407	14.4
190.99770	100.0
191.05513	12.8
191.07076	2.4
192.00323	5.5
192.05716	0.7
194.05768	14.5
195.06247	0.9
203.04237	0.6
205.01273	0.9
206.02126	88.2
207.02803	7.9
209.08121	49.2
209.11523	1.7
210.08455	2.9
225.05136	0.8
232.33778	0.7
269.08304	0.8
305.04443	1.3
353.06454	0.7
397.09338	1.1
415.10297	6.4
577.28552	1.6
637.20074	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	637.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06572	1.4
59.01249	28.4
61.98712	2.7
68.81531	1.3
69.03319	1.4
69.78764	8.6
71.01247	56.8
72.99187	1.9
73.02830	3.3
75.00757	1.7
75.58129	1.2
78.95762	1.5
81.03335	2.7
83.04878	3.4
85.02824	4.7
87.00745	4.2
88.76031	1.3
89.02309	7.9
89.36648	1.3
93.03339	2.8
95.04913	1.5
96.95944	1.9
97.02839	5.9
97.06458	2.9
99.00749	2.8
101.02318	9.9
109.06461	30.9
110.03551	1.5
111.00812	1.3
111.04417	1.7
113.02328	4.4
119.03425	3.4
121.02847	4.3
121.06480	3.4
125.09602	1.8
135.04445	2.5
135.08017	4.3
145.99779	1.3
161.04454	4.0
163.11203	18.6
171.10152	9.4
173.04422	1.8
177.01913	1.7
181.12306	6.3
185.11758	3.4
188.46573	1.7
191.05511	6.9
199.09727	4.6
201.11214	4.4
207.10187	100.0
208.10515	3.2
209.04530	3.8
209.11813	4.0
217.00241	3.2
225.11255	56.1
226.11714	3.5
231.13831	1.6
235.08278	1.5
243.12320	3.5
251.23854	1.4
253.09195	21.0
299.14819	2.0
309.20737	1.5
331.52698	1.6
401.22971	2.1
461.20242	18.7
462.20773	5.0
619.31158	9.8
620.31720	2.6
637.31750	3.9
638.32739	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	637.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61429	1.0
52.59244	1.0
55.01754	2.2
56.42525	1.1
57.03328	1.2
58.00444	1.6
59.01251	35.8
61.98724	1.7
67.01743	1.1
68.70030	1.0
68.99666	1.3
69.03339	1.3
71.01251	71.1
71.45732	1.2
71.54391	0.9
72.99185	1.5
73.02821	4.0
77.87539	1.1
80.02556	1.8
81.03343	3.4
83.01250	2.1
83.04887	4.1
85.02823	7.4
87.00748	4.1
87.33698	1.5
89.02318	10.6
93.03324	2.8
95.01238	2.3
95.04888	1.9
96.95878	2.2
97.02818	6.4
97.06463	2.2
99.00758	4.4
101.02321	15.5
109.02852	1.3
109.06465	36.2
110.03626	1.8
110.06826	1.2
111.04340	1.2
113.02321	8.8
118.24737	1.1
119.03411	3.5
121.02842	4.2
121.06468	2.7
125.09603	1.7
127.11163	1.7
135.04399	2.0
135.08061	4.1
136.05078	1.2
139.02744	1.0
139.03918	1.7
142.02641	2.2
143.03386	1.4
151.11191	1.1
155.03358	2.2
161.04425	6.0
161.09589	1.6
161.70824	1.0
163.11189	18.9
171.10168	11.6
173.04529	1.6
179.05611	1.9
181.12244	6.1
185.11783	3.2
189.09138	2.5
191.05524	4.6
199.09691	3.6
201.11258	6.0
207.10190	100.0
208.10582	5.9
209.04488	1.5
209.11771	5.0
217.00224	1.8
225.11272	53.5
226.11592	2.9
235.08115	1.9
243.12282	2.2
253.09221	26.8
276.54178	1.3
289.18195	2.2
299.14972	1.6
383.22052	1.3
461.20212	18.6
462.20587	5.9
502.52026	1.2
619.31189	1.5
637.42041	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	637.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05711	1.5
53.46954	1.7
54.76266	1.8
59.01255	2.9
68.36810	1.9
71.58445	1.9
75.04124	1.7
78.95774	100.0
92.05211	2.0
94.07173	1.7
96.96848	7.1
99.92435	1.8
102.40150	2.1
114.11552	1.7
136.78152	2.2
149.97391	2.0
152.99492	58.1
201.11223	13.1
209.11768	20.8
227.12819	2.8
255.23257	73.8
256.23630	7.6
291.19644	7.9
309.20621	16.7
310.20938	2.6
363.12128	6.8
381.13196	7.3
391.22482	17.6
404.32413	1.7
409.23502	7.5
480.67508	2.1
586.37970	2.2
593.34528	4.2
619.36188	23.6
620.36621	5.4
637.36902	41.7
638.37042	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	637.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24881	0.5
57.03305	1.7
59.01233	1.7
71.01241	1.0
71.58350	0.7
71.58753	0.6
78.95789	0.7
80.96382	2.7
89.22475	0.5
89.99888	0.6
94.97939	0.6
97.06437	0.6
99.08021	4.4
101.02290	0.7
108.57871	0.6
119.03270	0.5
123.04398	1.8
123.08035	2.4
125.09570	1.4
127.11145	2.0
139.11140	3.9
142.02603	0.9
148.08774	0.6
149.09680	0.6
151.11121	1.0
155.14293	1.6
167.14278	1.3
171.10165	10.6
183.13837	4.7
191.05481	0.6
193.12300	1.5
199.13303	7.3
201.11267	0.8
209.11676	1.5
211.13330	22.3
212.13652	1.0
225.00592	0.6
229.14398	13.5
245.19136	2.0
247.17030	0.9
271.16940	0.7
283.43085	0.7
289.18082	17.7
290.18335	1.1
293.21420	1.2
307.19144	37.7
308.19498	3.0
309.20447	0.7
311.22113	1.2
325.20169	0.7
329.23312	100.0
330.23679	10.0
394.46396	0.7
452.97623	0.7
468.75922	0.6
577.26935	2.5
579.27466	0.7
591.39203	1.6
637.42865	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	637.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.8
57.12979	0.9
59.01247	3.9
63.75217	0.9
69.03334	1.4
70.53961	1.0
71.01250	3.6
71.19895	1.9
73.02819	2.1
77.81179	0.8
78.95775	4.6
78.98470	2.2
79.95616	2.9
80.96386	26.2
80.96842	1.9
85.02840	1.5
87.00723	1.4
94.97953	7.1
97.02823	1.4
97.06441	1.5
101.02319	1.5
106.97958	1.1
113.09610	9.8
122.97457	1.8
123.08017	1.2
125.09598	8.4
127.11173	4.7
134.97466	1.6
137.09612	1.3
141.09068	1.2
148.99045	2.9
151.11183	5.0
152.98436	1.9
152.99504	2.9
153.09111	1.8
155.10660	3.9
164.98557	4.6
165.09120	2.3
167.10678	1.1
171.10194	5.9
177.12894	0.9
185.11664	1.3
191.05440	2.0
195.10219	2.7
195.13821	1.1
199.09686	2.4
201.11258	38.2
202.11646	3.0
206.99643	1.9
209.11708	1.2
213.11266	26.0
213.66113	1.0
214.11736	1.0
216.24139	0.9
225.00732	9.8
227.12828	3.0
247.20642	3.8
255.23262	0.9
291.19672	34.4
292.20007	3.2
299.04465	6.6
309.20703	46.0
310.21109	3.0
311.22131	1.1
327.21747	100.0
328.22067	8.0
336.67468	1.1
368.80750	1.0
442.17761	1.0
555.28400	50.1
556.28644	7.9
637.27692	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	639.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.2
57.03328	2.3
59.01248	29.9
62.49157	1.8
68.99683	3.9
69.03307	5.1
70.80945	2.4
71.01249	30.0
71.59208	2.5
72.99168	13.7
73.02824	4.1
75.00744	4.5
79.33348	2.1
83.01257	4.3
83.04907	5.7
85.02811	10.8
87.00758	18.5
89.02312	25.3
91.27337	1.9
93.03339	5.1
95.01260	4.6
96.95888	3.6
97.02843	4.2
99.00761	6.7
101.02311	25.8
105.01804	7.6
105.13741	2.1
109.02814	3.5
111.00748	2.3
111.04377	4.9
112.98690	6.6
113.02323	12.3
116.03410	2.2
119.03376	5.2
125.02362	6.3
125.05927	2.0
125.09553	2.6
127.03864	2.7
129.01799	2.6
135.04436	2.4
142.99748	3.8
145.03984	3.5
150.03008	2.2
151.03854	2.5
151.11182	4.8
155.03395	3.6
161.09644	4.8
173.00838	3.8
173.04413	4.5
175.02368	4.0
179.05560	5.2
179.10701	7.6
191.05542	26.2
195.10167	10.3
197.11755	65.1
197.13525	4.0
198.12253	2.8
205.08641	6.3
209.11725	15.0
220.16451	2.0
221.06760	3.9
223.09619	17.7
225.11328	2.1
235.08253	3.0
241.10767	27.4
241.14557	2.1
242.11110	1.8
243.12178	2.2
253.04398	3.2
253.09258	3.2
267.07214	3.6
397.13367	12.2
415.14597	22.7
519.28735	2.5
621.24225	10.4
639.25116	100.0
639.35614	4.0
640.15533	3.0
640.25037	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	639.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.0
57.03309	2.0
58.00469	0.9
59.01246	21.9
68.99702	1.6
69.03327	5.6
71.01249	17.8
71.04892	2.5
71.58779	1.1
72.99178	3.4
73.02809	3.1
75.00738	1.7
83.01233	1.7
83.04902	1.1
85.02803	4.7
87.00751	5.0
88.98684	2.0
89.02309	13.2
93.03345	2.0
95.01272	2.5
96.95903	1.2
97.02821	3.2
97.06432	1.0
99.00748	2.9
101.02323	13.7
105.01806	1.2
111.04379	1.1
112.98679	1.8
113.02328	4.8
119.03384	3.6
120.99534	1.3
123.70679	0.8
125.02324	3.8
125.09598	1.4
131.03401	0.8
135.04430	1.2
135.45909	1.0
143.03407	1.1
145.03938	4.5
146.04350	1.3
151.11200	2.4
153.12720	1.6
155.03394	4.8
161.04419	1.7
161.09644	4.2
173.04456	1.5
175.02406	1.1
179.05640	1.4
179.10675	6.0
191.05496	7.7
195.10144	1.4
197.11752	70.4
198.12100	3.3
205.08600	1.3
209.11731	2.4
221.06645	1.5
223.09663	2.7
235.08171	1.5
241.10797	7.9
267.91153	1.0
271.02551	1.4
290.54501	0.8
300.02716	1.6
301.03128	1.2
302.03275	1.5
397.13242	2.0
406.14182	1.6
407.14438	2.7
415.14511	2.9
621.24335	1.9
639.24982	100.0
640.25336	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	639.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	1.6
58.01113	1.1
59.01247	16.9
61.84484	1.3
61.98697	21.0
67.01734	3.2
68.99681	26.8
69.02953	1.9
69.03320	34.2
70.87907	3.6
71.00940	1.3
71.01250	13.7
72.99165	2.5
77.70392	1.7
85.02817	4.1
87.00749	1.8
88.21167	1.4
89.02309	8.6
93.03326	3.1
95.01254	32.7
96.95865	4.9
97.02805	3.5
98.85120	1.4
101.02314	48.8
113.02296	3.2
119.03396	3.4
121.02853	19.1
122.03149	5.9
123.04402	18.3
135.04402	1.7
149.02307	2.4
155.03395	100.0
156.03732	2.1
162.35736	1.4
163.03906	3.1
165.01768	2.2
165.79326	1.4
171.10165	2.4
191.05556	7.1
207.10143	2.9
209.04475	8.3
209.11784	2.1
210.04790	6.3
211.04996	2.8
211.13397	2.3
225.11166	2.4
253.09172	1.8
289.17990	2.3
303.19519	1.6
313.17859	10.2
331.19052	21.4
363.21658	3.3
375.17688	6.6
375.22128	2.2
407.20654	10.9
408.21146	2.1
445.22269	9.9
477.24957	2.0
639.30072	70.8
640.30530	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	639.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	1.6
58.01113	1.1
59.01247	16.9
61.84484	1.3
61.98697	21.0
67.01734	3.2
68.99681	26.8
69.02953	1.9
69.03320	34.2
70.87907	3.6
71.00940	1.3
71.01250	13.7
72.99165	2.5
77.70392	1.7
85.02817	4.1
87.00749	1.8
88.21167	1.4
89.02309	8.6
93.03326	3.1
95.01254	32.7
96.95865	4.9
97.02805	3.5
98.85120	1.4
101.02314	48.8
113.02296	3.2
119.03396	3.4
121.02853	19.1
122.03149	5.9
123.04402	18.3
135.04402	1.7
149.02307	2.4
155.03395	100.0
156.03732	2.1
162.35736	1.4
163.03906	3.1
165.01768	2.2
165.79326	1.4
171.10165	2.4
191.05556	7.1
207.10143	2.9
209.04475	8.3
209.11784	2.1
210.04790	6.3
211.04996	2.8
211.13397	2.3
225.11166	2.4
253.09172	1.8
289.17990	2.3
303.19519	1.6
313.17859	10.2
331.19052	21.4
363.21658	3.3
375.17688	6.6
375.22128	2.2
407.20654	10.9
408.21146	2.1
445.22269	9.9
477.24957	2.0
639.30072	70.8
640.30530	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	639.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.8
59.01250	65.2
61.98699	9.5
69.03317	5.3
71.01247	43.6
71.16658	4.7
71.21563	4.8
71.58717	4.9
72.99169	10.2
73.02814	6.3
75.00720	8.9
78.95779	5.2
80.81346	5.1
80.96362	5.6
83.01292	6.6
85.02808	24.8
87.00754	14.1
89.02309	43.1
93.03319	21.7
96.95879	18.9
99.00768	5.4
101.02348	32.8
102.01875	4.7
109.06446	5.0
113.02325	14.5
119.03380	13.1
120.99569	5.4
127.03835	5.6
134.03622	7.0
135.04382	10.0
138.66600	4.4
144.67871	4.4
149.04456	4.4
152.99512	6.8
161.04515	6.6
171.75334	4.2
173.04457	17.4
178.02608	5.4
179.03314	6.8
191.05522	100.0
191.07138	8.5
192.05887	5.7
247.79372	5.4
369.39215	5.6
554.15387	5.5
575.80176	5.3
579.30066	76.8
580.30469	9.5
639.23615	17.5
639.33301	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	639.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	2.7
57.03290	4.7
59.01243	43.5
69.80461	9.2
69.80869	4.7
71.01247	33.2
71.53769	2.4
73.02806	7.1
74.98976	3.5
76.59718	2.6
83.01254	3.7
85.02814	12.8
86.93275	2.6
87.00776	4.5
88.98642	5.0
89.02317	24.1
93.03322	4.5
96.95850	2.7
99.00787	3.7
101.02319	21.0
113.02332	14.0
119.03388	9.0
119.95144	2.5
129.01825	2.5
161.04395	6.9
173.04355	3.9
179.05377	3.5
191.05518	19.8
239.65500	3.1
253.04550	3.1
325.42676	2.6
417.25009	13.7
579.30206	100.0
580.30396	13.6
639.32050	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	639.323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03130	2.5
59.01250	40.5
61.98699	2.8
69.25894	26.8
71.01248	33.9
72.17490	1.9
73.02789	6.1
84.50507	2.3
85.02831	11.2
89.02319	21.4
90.55087	2.3
93.03313	3.0
95.01247	4.2
96.95870	3.3
101.02325	20.0
113.02312	12.8
113.83053	2.3
119.03372	8.7
161.04359	3.0
166.02669	2.6
173.04388	3.3
181.04939	3.7
191.05544	14.3
417.15533	10.9
417.24860	9.4
442.91837	2.3
565.96014	2.5
579.30182	100.0
580.30493	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	639.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	4.6
55.16982	3.4
57.03308	7.8
58.00475	4.4
59.01247	66.0
61.98694	7.3
69.03312	7.2
71.01254	46.6
72.99158	7.6
73.02814	9.4
74.98957	6.6
75.00732	7.2
76.78214	3.8
80.96408	4.2
82.21554	3.8
83.01265	6.4
83.04893	6.3
85.02811	25.4
87.00745	10.9
88.98660	8.5
89.02312	46.5
90.72278	3.4
93.03347	25.5
95.01250	5.1
96.95893	18.9
101.02319	33.0
109.02834	3.9
111.00782	4.4
111.04400	5.1
113.02312	18.1
118.97934	10.9
119.03387	9.0
120.99554	19.4
135.04402	9.8
147.04442	4.0
149.02272	4.0
155.03442	3.8
165.05437	7.0
173.04417	17.2
176.93280	3.6
179.03401	4.7
179.05576	7.1
191.05519	100.0
192.05853	8.3
223.09468	5.6
227.06688	4.4
229.89415	3.7
253.04575	7.3
272.39859	3.6
417.24872	8.0
520.70959	4.0
579.30066	95.0
580.30286	10.8
639.23657	14.4
639.33527	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	639.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	2.2
55.13470	1.7
57.03320	4.6
58.00463	2.6
58.84249	1.5
59.01248	54.7
61.98703	3.0
68.99698	2.3
69.03312	4.4
71.01251	72.5
71.58901	3.2
72.99177	5.4
73.02832	15.4
74.31267	1.7
75.00739	4.3
79.12144	1.6
80.96380	2.9
83.01261	5.7
83.04932	2.1
85.02816	30.1
87.00758	10.9
88.98660	2.1
89.02311	43.0
89.02826	3.1
93.03324	16.4
94.36376	1.8
95.01278	4.6
96.95889	11.2
97.02823	3.6
99.00767	7.1
101.02325	53.2
111.00771	4.5
113.02335	22.5
118.97996	5.7
119.03396	11.8
119.11088	2.0
120.99557	3.8
125.02327	7.4
127.03918	3.4
131.03374	5.1
135.04413	3.9
137.02306	2.9
143.03401	5.9
149.02176	2.5
149.04442	2.4
159.02979	2.0
161.04471	15.1
173.04489	13.5
179.05525	18.5
191.05534	69.6
192.05855	12.5
193.06007	5.8
220.11641	2.3
221.06732	4.6
231.09862	1.9
232.20575	2.3
245.06734	1.9
263.07697	3.3
315.19720	4.7
323.09784	3.9
417.24933	25.3
447.19366	8.4
579.30170	100.0
580.30212	13.0
638.35394	2.0
639.32910	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.9
57.03304	5.6
59.00985	2.2
59.01247	30.1
61.98705	16.1
63.57792	1.7
65.03817	2.5
68.99668	2.6
70.23589	7.2
71.01247	36.3
72.99167	4.6
73.02810	9.2
78.95760	3.0
81.03326	4.0
83.01265	2.2
83.04903	12.0
85.02818	14.9
85.06470	2.7
87.00731	14.6
89.02313	13.3
93.03320	10.6
95.01241	3.7
95.04914	4.1
96.95860	5.4
97.02826	2.6
97.06443	5.4
98.19840	2.7
101.02321	20.1
109.06464	5.0
111.04385	4.6
111.08021	10.8
113.02337	15.2
119.03379	3.3
119.04893	3.2
121.02805	1.9
123.08031	4.4
125.02319	3.7
125.09627	17.0
127.11166	2.3
135.04376	6.2
137.09598	4.0
143.03389	2.6
145.04939	3.9
147.04462	2.4
152.99474	2.5
161.04459	4.9
163.11177	2.2
165.01787	2.0
171.10178	100.0
172.10506	5.7
173.04457	8.5
178.35559	1.8
179.05536	2.2
185.00719	2.2
187.09639	2.7
191.05528	16.1
195.18639	1.9
203.14320	2.3
205.15897	5.5
207.13974	1.9
209.11746	20.3
210.12173	3.2
211.13338	18.8
215.14330	12.3
221.15408	4.3
225.11267	3.0
227.12708	3.4
231.13808	8.0
233.15399	35.9
235.08189	14.9
237.05284	2.1
249.14926	46.4
250.15239	2.4
253.09277	10.0
263.12943	2.2
309.20728	2.7
329.95102	2.4
341.24771	6.5
357.24399	2.4
359.25940	3.2
365.04956	2.1
367.22763	4.0
375.25345	8.2
385.23746	33.1
386.23822	2.6
393.26569	2.7
403.24866	61.3
404.25110	7.9
407.18991	2.1
421.25916	22.3
422.26300	2.7
442.47510	2.1
445.21948	2.2
485.24036	4.1
611.34143	3.8
621.32709	78.1
622.33374	13.8
639.33844	64.4
640.34796	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	640.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26046	0.9
54.12288	0.7
54.62700	0.7
55.01758	1.6
57.03314	4.9
58.44644	0.7
59.01250	8.4
60.99141	0.9
65.65076	0.8
65.65424	0.7
67.01749	1.7
67.25433	0.8
67.29728	0.8
68.99683	13.5
71.01249	22.4
71.01648	1.1
71.58833	1.2
72.99167	3.5
73.02806	2.3
75.00748	1.6
79.95610	2.0
80.42820	0.8
83.01251	6.8
85.02819	6.3
87.00737	3.8
89.02319	2.5
93.03329	4.7
96.95882	100.0
99.00752	28.6
99.01404	0.8
101.02312	25.5
105.01818	2.2
111.00758	11.3
112.98684	73.2
115.00252	7.9
124.98665	2.2
127.00298	1.4
127.03893	2.2
127.89713	0.8
129.01799	6.7
135.02866	0.9
135.04463	1.2
142.99756	34.2
145.01331	7.6
151.03821	0.8
155.03416	1.5
172.08893	0.9
173.00813	33.5
173.04419	2.0
174.01538	1.6
175.02364	3.2
187.01237	0.9
191.05528	9.9
193.75256	0.9
243.12535	1.0
270.07489	1.2
281.48755	0.8
304.11884	5.1
305.12421	0.9
317.60895	0.9
331.18073	0.8
354.10043	1.7
478.13470	1.5
522.16534	1.4
534.16284	1.8
543.17126	2.0
552.17310	1.4
627.46912	0.8
640.18958	3.7
658.89240	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	640.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.4
57.03327	5.4
59.01250	9.6
61.98708	1.1
67.01752	3.3
67.52866	0.7
68.99683	17.0
69.70171	1.6
69.70589	3.4
71.01247	23.3
72.99174	3.2
73.02821	2.3
75.00726	2.2
83.01252	7.0
83.04881	0.9
84.99224	0.8
85.02818	8.2
87.00736	4.7
88.98681	2.0
89.02320	2.3
93.03329	5.1
96.95889	3.6
98.20511	1.4
99.00751	35.9
101.02316	35.9
103.59123	0.7
103.94003	0.7
105.01799	4.6
109.02803	0.9
111.00755	17.5
112.98685	100.0
113.02304	1.2
113.98991	2.0
115.00254	10.1
119.04834	0.8
121.02887	0.9
124.98684	2.1
127.00240	2.1
127.03908	2.8
129.01828	11.0
133.02742	0.8
135.02893	1.0
135.04362	1.5
140.98180	0.8
142.99753	52.3
145.01318	9.8
155.03398	1.0
161.02328	1.0
173.00822	52.3
173.04367	3.4
174.01530	3.4
175.02451	4.8
176.07135	0.7
191.05536	17.2
214.08490	0.8
216.06544	1.0
225.11313	0.8
230.08278	0.7
242.08308	1.1
258.07663	1.6
268.06439	0.7
270.07755	3.2
271.05569	0.8
272.81442	0.9
304.11893	8.2
313.43118	1.0
346.12943	1.2
354.09708	3.1
372.10947	0.8
449.14282	1.1
456.78525	0.7
478.13547	2.4
509.10959	0.7
510.15958	1.0
522.15863	1.2
534.16144	3.3
552.17206	2.2
569.12793	0.8
593.41217	0.9
639.32813	0.8
640.17798	4.9
648.14813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43291	0.1
53.91394	0.1
57.03322	0.2
58.97120	0.2
59.01241	0.9
67.01764	0.2
68.99664	0.8
70.00016	0.1
71.01250	2.5
72.99178	0.3
73.02795	0.2
75.00752	0.2
78.95770	0.2
79.95599	2.9
83.01254	0.3
85.02795	0.8
87.00740	0.6
89.02296	0.5
93.03312	1.1
95.01292	0.2
96.95885	100.0
97.95802	0.3
98.19760	0.4
99.00751	1.4
100.01074	0.2
101.02310	1.8
109.02863	0.3
109.06537	0.2
111.00772	0.7
111.04414	0.3
112.98688	3.5
112.99409	0.3
113.99025	0.5
115.00277	0.3
116.92709	0.2
123.04391	0.3
125.02316	0.2
127.03886	0.2
129.01822	0.4
135.04390	0.5
137.02353	0.5
142.99782	1.8
144.00099	0.3
145.01308	0.4
155.03400	0.8
163.03966	0.3
171.10124	0.2
173.00839	1.2
173.04486	1.0
174.01263	0.2
175.02432	0.2
179.05363	0.2
191.03745	0.3
191.05540	3.9
192.05865	0.2
201.11195	0.3
225.11298	0.5
230.00328	0.2
235.06006	0.2
257.93738	0.1
351.27863	0.2
397.13388	0.2
415.14612	0.4
449.14536	0.5
467.16504	0.2
543.17395	1.2
641.19104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.0
59.01251	13.7
60.81662	0.8
69.03309	1.0
71.01252	13.0
71.04874	1.3
71.58850	1.3
72.99191	0.9
73.02813	1.4
83.01274	1.4
85.02831	4.0
87.00758	4.2
89.02318	11.2
93.03336	3.3
95.01228	0.9
97.02823	4.1
99.00748	10.1
101.02321	9.4
108.40636	0.8
109.02798	1.3
109.06406	1.2
113.02341	3.4
117.94633	0.9
119.03386	2.6
120.99530	3.5
122.92847	0.9
125.02347	2.2
125.09613	3.7
127.03959	1.2
131.03375	1.1
135.04376	1.7
143.03416	1.5
161.25871	0.8
163.11153	6.2
173.04469	2.3
179.05539	1.5
179.30229	1.0
181.12262	14.4
183.60559	1.2
183.82811	1.0
191.05544	21.9
192.05829	1.1
197.11833	1.0
199.13312	17.0
207.10199	24.7
208.10548	2.0
221.06599	1.9
225.11273	49.8
226.11688	3.1
243.12328	17.4
263.09335	1.0
397.13629	2.5
415.14737	2.1
449.14417	3.2
467.15259	2.3
623.26068	15.5
624.26123	2.9
641.26721	100.0
642.27087	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	641.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.8
59.01250	14.1
68.99680	0.8
69.03333	1.0
69.66949	4.1
71.01253	13.4
71.04885	1.2
72.99187	0.8
73.02800	2.1
74.03411	0.7
81.03355	0.9
83.01230	1.7
83.04897	0.8
85.02805	3.8
87.00752	4.2
89.02310	9.0
93.03335	2.6
97.02824	4.0
97.06435	1.1
99.00758	10.1
101.02326	7.9
109.02856	0.7
110.03593	0.9
110.33239	0.7
111.04385	1.0
113.02328	4.3
119.03392	1.8
120.99546	1.8
121.02914	0.9
125.02309	2.2
125.09607	3.4
135.04501	1.0
142.02571	1.1
143.03406	1.1
161.04457	1.1
163.11136	4.9
171.10089	1.2
173.04471	1.7
173.92291	0.8
179.03372	0.9
179.05576	1.6
181.12254	12.4
191.05528	20.4
192.05754	1.0
199.13333	16.4
207.10188	27.0
208.10503	1.9
221.06613	1.5
225.11263	48.0
226.11607	3.3
234.56479	0.8
243.12329	15.6
244.12682	1.3
335.08188	0.8
397.13361	5.1
409.23959	0.7
415.14551	2.4
449.14639	2.6
467.15262	1.8
623.26093	15.6
624.25806	1.5
641.26666	100.0
642.27185	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	641.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94657	1.1
55.01754	1.1
57.03351	1.5
59.01247	22.9
67.01756	1.4
69.03321	2.5
69.54837	2.6
69.55259	7.1
71.01256	32.8
71.04884	2.3
72.99180	2.5
73.02822	4.8
74.02346	1.3
75.00747	1.9
81.03359	1.7
81.03844	1.2
83.01224	3.1
85.02814	9.7
87.00737	6.3
89.02312	14.7
93.03332	9.3
95.01267	2.2
96.95886	2.0
97.02841	4.7
97.06504	2.0
99.00754	14.6
101.02323	11.9
109.02834	2.5
109.06490	2.6
111.04379	2.2
112.98710	1.5
113.02343	4.9
119.03397	4.4
121.02864	2.1
125.02334	3.1
125.09605	6.4
127.03934	1.7
133.02888	1.7
134.03728	1.7
135.04436	4.4
143.03381	2.0
143.07036	2.4
151.03860	1.7
155.03355	1.8
161.04550	2.0
163.11192	7.1
171.10178	4.1
173.04459	7.0
179.03409	2.3
179.05452	2.8
179.10695	1.6
181.12239	17.8
187.07246	1.3
191.05534	45.9
192.05894	3.0
197.11760	12.0
199.13318	13.1
201.11259	3.6
207.10190	31.0
208.10603	1.9
209.11746	2.2
213.02255	1.3
215.12784	2.8
221.06729	1.3
225.11258	56.8
226.11650	3.4
235.08456	1.3
243.12372	30.1
255.23334	3.4
282.33963	1.2
385.18988	1.5
397.13278	7.8
415.14502	6.8
448.13870	2.0
449.14703	6.2
481.20154	1.3
504.20569	1.5
615.59534	1.3
623.26038	19.7
624.26270	3.1
641.26801	100.0
642.27356	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	641.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95580	1.1
55.01761	1.5
57.03305	2.3
58.00453	3.5
59.01243	26.6
61.98677	5.1
66.55273	1.2
67.01756	2.3
67.74602	1.0
69.03310	2.7
71.01247	100.0
71.04905	1.2
72.01585	1.1
72.99186	2.6
73.02814	11.0
78.98457	5.3
79.95598	52.7
80.22477	1.0
80.96385	56.1
81.03332	2.3
83.01263	3.3
83.04893	3.4
85.02816	10.9
87.00739	7.9
89.02316	17.0
93.03320	11.5
94.97952	15.8
95.01261	2.8
95.04877	2.1
96.95881	6.0
97.02812	6.9
97.06446	1.3
99.00756	3.1
101.02312	16.4
106.97942	2.9
109.06483	10.6
110.03568	1.3
111.04403	2.5
113.02315	10.0
119.03391	4.3
122.97466	4.4
123.04421	1.7
125.02335	8.9
125.09592	3.1
127.03878	1.2
127.11165	3.3
131.03400	1.6
134.97426	3.6
136.99011	2.5
137.02339	1.5
137.81924	1.3
139.07486	1.7
143.03354	3.4
145.10075	1.6
148.99062	6.1
152.98520	7.3
155.03333	1.5
155.10661	3.0
161.04495	2.9
161.09549	1.4
163.11203	8.0
164.98557	8.3
167.10583	1.5
171.10155	22.1
172.10555	1.6
173.04475	8.2
179.05412	2.9
181.12256	6.5
182.99619	2.1
183.10028	1.4
185.11690	3.7
189.09108	1.2
191.05522	33.1
197.11713	5.3
199.09685	1.9
199.13300	2.6
201.11247	22.0
206.99529	3.8
207.08142	1.3
207.10162	31.3
208.10460	2.4
209.11729	1.9
211.13301	2.3
215.07106	1.9
215.12839	5.5
221.06607	1.9
225.00671	23.9
225.11255	49.9
226.11584	2.3
235.08156	3.8
241.00156	2.1
243.01794	1.4
243.12393	9.6
253.09222	3.3
299.04349	4.7
323.09583	1.3
397.13504	21.6
399.09717	1.5
415.14505	16.3
416.14407	1.5
439.13672	1.3
441.14209	2.7
457.15259	1.5
467.20825	1.7
470.50452	1.3
471.15356	66.2
472.15463	5.8
499.18967	2.9
527.18024	13.0
528.18506	1.8
542.07574	1.3
543.17267	5.7
623.25372	9.6
623.33795	3.0
624.25238	2.5
641.25226	28.5
641.34827	1.9
642.26123	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	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.7
59.01242	2.0
63.00875	0.6
69.03313	1.3
70.94433	1.1
71.01231	0.8
71.04892	1.3
74.52770	0.5
80.02540	4.0
81.03329	2.3
83.04893	12.0
84.02029	4.0
91.05393	0.8
95.04897	2.3
96.95869	0.8
97.06497	2.7
99.08017	2.5
109.06471	1.2
111.08022	1.6
113.09605	1.2
115.07502	1.9
119.08530	0.6
121.10123	0.5
123.04375	1.9
123.08051	0.7
125.09602	3.4
127.07495	0.6
127.11158	2.4
135.08122	0.6
137.09607	27.4
138.10013	0.8
139.11171	9.9
143.33659	0.6
148.08850	0.6
149.09671	0.6
151.11188	2.7
153.09106	3.7
154.09596	0.5
155.10669	18.1
157.72479	0.5
163.11191	1.0
165.12740	1.5
167.10684	1.1
169.12250	1.2
171.10175	21.3
172.10487	1.2
179.10434	1.3
191.05437	1.3
193.08377	16.0
193.12248	8.2
194.08745	0.5
195.13730	0.8
197.11731	0.8
207.09940	8.2
209.07870	2.5
209.11751	2.2
211.13342	2.3
217.00261	1.5
219.09909	1.1
225.11354	0.6
231.09999	1.2
233.11499	7.3
245.19011	1.4
247.20657	2.3
263.16190	1.3
263.20157	3.7
265.21738	1.8
268.36945	0.7
269.06921	0.6
275.20166	0.9
281.63086	0.6
285.18411	1.8
287.19962	1.5
291.19659	27.7
292.20038	1.7
293.21066	1.8
303.19409	1.5
309.20688	58.2
310.21048	5.2
313.17862	3.7
317.17139	1.7
319.18875	9.1
331.18872	100.0
332.19217	8.2
347.15814	1.0
349.19849	3.0
360.53494	0.7
407.17453	2.1
621.05115	0.7
641.40417	4.3
642.40668	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	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85478	0.3
59.01221	0.9
61.98675	0.7
69.03317	2.4
71.14818	0.8
80.02525	0.6
81.03294	0.6
81.18743	0.4
83.01228	1.7
93.03299	1.2
95.01247	0.5
97.02821	13.1
109.02840	0.4
109.06438	0.6
110.03600	0.8
111.04396	3.6
123.04365	1.6
123.07987	1.3
125.09561	0.5
127.07444	0.4
137.09590	1.4
137.54256	0.4
139.11131	1.1
151.11220	3.0
152.08287	0.4
153.09128	0.7
153.12723	0.6
155.03432	0.4
155.10526	0.5
165.12650	0.5
167.14198	0.4
167.45963	0.4
171.10129	0.5
173.04343	0.4
177.12743	1.3
179.14326	0.4
185.11798	0.5
191.03069	0.8
191.05452	0.8
193.08455	0.8
193.12236	1.8
195.13889	2.4
203.14374	0.7
207.09908	2.0
211.13240	2.2
219.06314	1.0
219.09938	0.8
221.11723	3.5
233.11554	2.6
235.13211	0.5
237.14951	0.5
239.12907	1.3
240.13628	1.2
244.10846	0.7
245.19104	0.5
247.20644	4.9
258.12192	0.5
259.09488	0.4
261.11078	4.4
262.11841	100.0
263.12170	7.0
263.20123	0.6
273.18658	0.7
289.90866	0.4
291.19650	58.2
292.20020	4.8
293.67075	0.4
294.09610	0.9
303.19049	0.4
309.20697	61.5
310.21054	4.8
313.17764	2.4
331.18887	68.4
332.19153	5.6
554.30872	0.7
572.32526	1.7
573.32654	0.7
641.40387	2.4
642.40991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
58.00473	1.0
59.01246	2.0
61.98701	2.7
64.56220	0.5
69.03316	1.4
71.01259	1.8
71.04874	0.9
71.58974	0.9
83.04907	1.0
85.02835	0.8
85.08126	0.5
93.03346	2.1
93.06924	0.7
96.95908	0.7
97.06466	0.9
109.02876	0.6
109.06466	1.1
111.08039	16.0
111.17927	0.6
111.69345	0.6
119.08522	1.0
121.06477	0.6
127.07545	0.9
135.04396	0.9
137.09615	0.7
147.11687	5.5
151.11180	1.4
153.09073	0.6
153.12741	1.6
163.11116	1.1
165.12769	5.3
167.10603	0.8
169.12256	7.2
171.10155	1.1
173.04465	1.9
181.12233	1.1
183.13805	1.2
191.05551	3.7
193.12314	0.7
197.11757	77.8
198.12090	4.3
199.13390	2.7
201.08992	0.7
205.12105	0.7
207.10129	0.8
209.11719	0.9
209.15367	1.6
211.13336	8.5
212.13690	0.8
213.08928	0.7
215.10452	7.5
219.09962	4.6
220.10306	0.7
223.17012	1.1
225.11336	1.1
225.14940	0.9
227.12894	1.7
231.10040	1.2
233.11540	79.7
234.11868	5.2
244.30888	0.6
251.11348	1.0
251.16513	1.2
259.09372	1.0
263.20108	3.0
265.18066	1.7
273.14771	0.8
273.18533	1.3
291.19638	15.3
292.19992	1.2
309.20691	100.0
310.21051	7.2
313.17731	4.4
325.74161	0.7
331.15277	1.2
331.18909	11.2
332.19189	0.8
363.32309	0.6
375.17896	1.1
431.22760	1.9
445.24338	4.7
446.24698	1.0
485.27048	0.6
491.81381	0.6
543.31451	1.6
641.25952	0.8
641.28284	0.9
641.40198	12.8
642.40387	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	641.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	4.2
59.01248	4.0
61.98701	2.5
69.03326	3.8
71.01253	2.7
71.45329	1.2
72.72157	0.8
79.95655	1.1
81.03316	1.6
83.04903	1.9
85.02804	1.6
87.00784	1.2
93.03340	3.3
93.06971	0.9
95.04919	1.9
96.95917	1.8
97.02855	0.9
101.02256	0.8
107.08554	1.3
111.08050	2.4
119.08560	9.5
121.06491	1.2
121.10112	1.7
123.04465	1.1
123.08009	1.2
125.09608	5.7
127.11173	3.0
135.08051	1.5
137.09615	22.6
138.09901	1.0
139.11194	5.1
141.09079	1.1
147.08038	1.4
149.09621	0.9
151.11183	2.1
153.09102	1.4
155.10657	3.1
165.08965	1.1
167.10716	3.0
171.02794	0.9
171.10170	63.4
172.10506	2.2
173.04503	1.4
177.08994	1.1
179.10490	2.1
183.10287	2.2
183.13844	1.8
185.11739	15.8
191.05502	8.1
191.06915	0.9
191.90846	0.8
193.08366	11.4
195.10182	1.3
197.10194	0.8
197.11716	4.7
201.11281	4.1
207.09958	68.6
208.10321	3.6
209.07764	1.2
211.13329	23.4
213.11232	3.0
219.09967	4.1
219.42003	0.8
223.09436	1.6
225.11351	1.4
225.14909	0.9
227.18071	1.5
229.19611	1.4
243.17380	1.4
243.21902	0.9
245.18991	5.9
247.13290	1.6
247.20544	1.0
273.18683	4.9
278.11346	1.4
291.19644	29.5
292.19986	2.1
295.16779	3.2
309.20679	100.0
310.21085	7.4
313.17825	69.1
314.18295	5.6
316.44861	0.8
327.15985	1.6
331.18854	10.4
339.05011	0.9
365.18323	1.4
447.22208	1.8
474.97385	1.0
503.28363	2.0
623.37823	1.0
641.40259	22.3
642.40576	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	641.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.6
59.01241	0.8
64.75698	0.4
69.87161	2.1
69.87567	0.7
71.01251	8.6
72.53693	0.4
72.54091	0.5
78.62709	0.4
85.02803	0.8
93.03332	0.7
97.06438	0.7
98.19883	1.0
123.08009	0.6
125.09609	1.9
125.99216	2.1
137.09592	0.5
139.11115	1.1
141.09062	2.4
147.08086	0.6
151.11162	0.9
165.01596	3.6
165.08929	0.7
166.82365	0.5
169.12230	2.5
171.10170	1.7
181.08400	2.1
183.09952	1.5
191.05452	0.6
191.51753	0.5
193.04770	0.7
193.08388	10.4
194.08754	0.5
197.11684	1.2
199.09676	1.0
200.10329	0.5
201.56384	0.4
207.10054	1.4
209.07903	3.3
209.11818	1.6
211.13277	2.4
213.11229	1.1
213.93491	0.5
221.07880	3.2
221.11342	0.5
222.08676	55.9
223.09450	29.0
224.09837	1.4
225.07343	1.8
227.08966	1.0
231.09935	0.5
236.10255	5.3
237.10797	0.8
241.09149	0.7
245.18976	0.6
247.20599	0.6
253.09346	0.5
254.07654	5.1
255.07944	0.6
257.50702	0.4
262.11819	3.5
263.20255	0.5
291.19513	2.1
301.17746	0.8
303.19501	2.2
307.19156	1.4
309.20706	10.9
310.21143	0.6
311.22290	2.2
313.17792	5.1
329.17218	1.5
331.18878	100.0
332.19196	8.4
333.19611	0.5
375.17822	1.2
417.40213	0.5
463.21585	0.5
532.28705	2.8
537.31848	0.5
546.30548	1.9
547.30988	0.5
641.31110	1.3
641.40924	2.3
642.30884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.6
61.98691	1.3
67.01736	1.8
69.03326	1.6
71.01251	4.2
71.58942	1.4
72.99174	1.4
73.02843	0.9
74.98927	0.9
75.00723	1.2
78.95763	4.0
79.95590	1.5
81.03315	1.7
82.39542	0.8
85.02812	5.6
86.11716	0.8
87.00726	2.1
89.02312	2.7
91.19135	0.8
93.03320	6.6
96.95884	49.2
96.96828	1.3
101.02302	2.4
107.04978	1.0
109.02813	4.0
109.06447	1.2
111.04401	1.0
113.02319	1.5
120.99571	1.6
121.02838	1.3
123.00803	1.4
123.04374	3.0
124.01511	1.1
125.02258	1.5
133.02841	1.6
135.04420	4.3
136.01555	1.8
136.99023	1.0
137.02339	25.2
138.02733	1.2
139.03909	1.2
149.02333	1.3
150.03114	1.5
151.00273	4.2
151.03918	3.9
151.07431	0.9
152.04698	1.1
152.99445	2.8
153.01831	1.3
155.03392	1.1
159.04385	1.4
162.03140	1.2
164.01050	1.4
165.01833	100.0
165.05493	2.4
166.02614	18.3
167.03342	2.6
171.10146	1.0
173.04462	5.1
175.03897	1.8
176.04623	1.0
177.01859	1.4
177.05499	1.6
178.02625	1.3
179.03438	18.6
180.04189	51.9
181.04973	20.5
182.07043	1.0
184.03569	0.9
187.03944	1.8
187.07550	0.9
190.02612	0.9
191.05530	32.7
192.04228	1.6
192.05841	1.8
193.04919	1.7
194.05705	3.2
195.02844	2.4
195.06549	70.2
196.06845	2.5
197.11574	0.9
205.04970	5.2
209.11650	1.5
210.05273	9.8
211.05725	1.2
220.07245	1.4
225.07603	52.3
226.07982	2.6
253.04649	1.7
253.09145	1.1
271.05515	0.9
283.86688	0.9
291.06284	0.9
303.25311	0.9
327.21701	1.1
359.11310	2.4
371.10757	1.1
386.13776	1.1
387.10092	1.2
387.14642	6.8
403.13751	2.6
416.14529	1.3
417.15509	28.7
418.15698	3.2
481.18506	1.8
545.25867	1.4
565.19159	1.6
580.19415	1.6
583.20477	1.2
595.21814	37.2
596.21973	5.9
621.88837	0.9
643.25299	4.2
643.37109	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09591	0.4
54.61922	0.4
55.45070	0.4
57.03315	1.8
59.01241	2.7
60.99174	4.5
64.06190	0.4
65.03822	0.9
67.01757	15.0
69.03327	4.3
71.01254	5.0
71.04915	0.5
73.02834	0.5
81.03323	2.7
83.04893	2.3
85.02821	3.7
87.00746	18.8
93.03331	100.0
94.03671	1.8
99.00743	1.7
99.04417	0.7
109.02844	1.6
111.04398	12.9
115.03919	0.9
127.03913	0.6
129.01811	1.8
132.02054	0.5
133.02821	0.9
134.02638	0.8
134.03627	12.5
135.04410	19.8
136.04715	1.1
137.02339	1.7
143.03461	0.4
155.02158	0.6
155.03383	4.2
160.01575	1.0
161.02376	1.7
165.00281	0.5
173.04462	65.3
174.04800	2.0
178.02678	1.4
179.03409	3.0
191.05531	35.5
192.05920	0.9
291.19653	8.4
297.68680	0.5
407.22299	4.9
408.22067	0.5
425.23267	4.9
451.21115	6.1
451.26450	0.6
452.21588	0.7
460.45871	0.5
469.22366	1.1
601.47864	0.6
643.27545	62.9
644.27942	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	643.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.7
61.98699	2.0
71.01249	4.7
81.03347	1.9
83.04884	3.5
85.02836	4.3
86.07444	1.7
87.00758	2.4
93.03333	18.4
107.08524	2.4
111.04390	7.2
115.72550	2.0
117.22484	1.8
133.02834	5.0
134.03633	88.0
135.04417	100.0
136.04755	3.4
137.02333	4.6
139.03925	2.5
139.11238	2.4
155.03410	8.6
171.20744	2.3
173.03076	3.4
173.04471	56.4
173.05991	2.9
178.02567	7.8
179.03416	12.4
191.05531	23.2
197.11720	5.3
199.09647	2.9
199.13324	4.6
201.11319	3.6
203.10800	1.9
207.10182	3.6
209.11798	6.4
225.11288	2.8
253.09279	1.8
291.19653	86.4
292.19989	7.2
338.97894	1.8
425.23294	36.3
426.23477	3.5
469.22348	15.7
470.22778	3.2
482.92007	1.9
625.28217	4.9
643.27905	15.7
643.37531	3.0
644.28760	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	643.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88245	0.2
59.01243	2.4
61.98692	0.6
67.01752	0.7
69.03329	0.5
69.24794	1.4
69.25226	1.2
71.01245	3.0
73.02808	0.7
74.35551	0.3
78.95770	0.3
79.95605	1.0
80.96385	1.3
81.03317	0.7
81.95179	0.5
82.95975	0.4
83.01258	0.5
83.04894	1.4
85.02816	11.3
87.00751	3.1
89.02301	0.9
93.03327	5.2
94.97949	0.3
95.01295	0.2
96.95880	5.2
97.06494	0.2
99.00752	0.3
99.04385	0.5
101.02322	1.3
109.02825	1.0
109.06438	0.4
111.04373	1.3
113.02280	0.6
119.03353	0.4
125.02358	0.3
127.03894	3.4
133.02791	0.2
134.03622	0.3
135.04370	0.4
137.02318	0.4
155.03398	0.6
159.04370	0.5
161.02328	0.4
161.04529	0.4
161.05978	0.3
163.03912	0.3
163.11140	0.3
167.03407	0.4
169.12242	0.9
171.02892	0.7
171.10202	0.3
173.04436	2.3
173.05704	0.3
189.01854	0.6
191.05522	100.0
192.05858	3.5
197.11743	11.5
198.12073	0.6
199.04033	0.3
199.13284	0.9
201.11249	0.5
207.10205	0.9
209.06009	0.5
209.11748	11.6
210.12079	0.5
211.03893	1.4
211.07455	0.3
211.13440	0.4
213.05557	0.3
215.07034	0.3
225.00722	0.5
225.05548	1.7
225.11203	0.6
227.12848	2.0
233.08179	1.4
235.07959	0.6
238.06586	0.2
239.03482	1.5
240.04138	0.3
251.07120	0.3
253.05099	1.5
253.09183	1.2
264.11539	0.3
267.10510	0.3
268.10583	0.3
272.03137	0.3
275.07367	0.5
279.06522	0.4
307.09680	0.4
308.10468	0.5
311.78012	0.2
330.14328	0.3
342.18579	0.3
355.15570	0.4
382.14313	0.3
407.22177	3.6
408.22327	0.3
423.21442	0.3
425.23264	4.0
426.23376	0.5
433.20343	1.5
451.21210	32.7
452.21445	3.2
471.15323	0.6
472.15250	0.3
473.15256	0.7
481.18503	0.7
643.26294	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	643.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43814	0.8
52.90965	0.9
56.44297	0.9
59.01232	2.6
67.01738	1.2
69.03313	1.1
71.01256	3.0
73.02843	1.0
81.03307	1.4
83.04906	2.1
85.02804	2.5
87.00736	1.7
90.47502	0.9
93.03327	14.9
96.50378	1.1
107.08528	2.0
109.02789	2.3
109.06453	1.6
111.04385	8.4
125.09570	1.4
127.03877	1.1
129.01846	1.5
130.15405	0.9
133.02846	3.8
134.03629	79.9
135.04414	100.0
136.04741	3.6
137.02376	4.7
139.03844	1.7
139.11154	2.6
155.03424	7.0
171.10197	2.2
173.04466	50.6
174.04797	1.8
178.02666	7.9
179.03412	10.4
191.05537	10.1
197.11745	2.4
199.13274	2.6
207.10184	2.7
209.11751	3.1
223.13210	1.1
225.11278	1.8
257.50473	1.1
291.19650	76.1
292.19986	5.5
324.62149	0.9
415.89716	1.2
425.23328	39.1
426.23611	4.5
452.12662	1.1
469.22223	8.0
470.22626	1.3
503.36923	1.0
625.27771	1.2
643.27570	12.3
644.27802	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	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76900	0.4
57.03321	1.7
59.01247	3.0
60.99169	4.0
61.98687	1.2
65.03826	0.7
67.01756	13.2
68.38123	0.4
69.03316	3.5
70.10363	2.0
71.01242	6.3
71.04887	0.7
73.02810	1.0
78.98446	0.9
79.95597	5.6
80.96384	10.4
80.96842	0.8
81.03322	3.1
83.01270	0.6
83.04915	2.2
85.02812	10.6
87.00745	17.2
93.03329	90.1
94.03664	2.3
94.97945	2.7
95.01279	0.7
96.95867	0.7
97.02809	0.6
98.20840	0.4
99.00738	1.1
99.04371	1.4
101.02323	0.9
106.97943	0.8
108.02068	0.9
109.02849	2.2
111.04395	11.1
113.02346	1.3
115.03870	1.1
121.02840	0.5
122.97490	0.8
125.02297	1.1
127.03905	2.8
129.01836	1.7
132.02110	1.0
133.02820	1.6
134.03639	6.5
134.97453	0.9
135.04405	36.6
136.04732	1.4
137.02336	2.5
139.03891	0.7
148.99045	1.0
150.03152	0.8
151.03900	2.2
152.98550	1.2
155.03410	3.6
160.01523	1.9
161.02321	3.4
164.98558	1.9
171.02925	0.5
171.10187	1.1
173.04459	36.9
174.04755	1.2
178.02635	1.9
179.03418	14.3
180.03770	0.6
191.05525	100.0
192.05873	3.4
197.11752	1.1
209.11774	1.5
211.13277	4.4
212.13606	2.5
213.14030	0.6
215.07062	0.5
225.00645	3.5
228.81088	0.4
233.37485	0.5
299.04370	0.9
307.08151	1.8
308.09000	3.7
351.07159	0.4
352.04303	0.5
352.07938	3.2
353.08603	2.5
353.66129	0.4
367.95074	0.4
407.22162	4.2
408.22342	0.6
425.23257	1.9
451.21219	5.7
452.21463	0.6
469.22137	1.7
471.08646	0.8
471.15335	11.3
472.15628	1.1
527.18121	2.0
641.17389	0.4
643.27417	66.3
644.27710	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	643.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.3
59.01246	1.6
60.99161	0.2
61.01446	0.1
61.98704	0.3
66.80154	0.2
67.01757	1.0
69.03323	0.5
70.92049	0.3
71.01242	1.7
72.08436	0.2
72.99193	0.2
73.02823	0.3
78.98465	0.4
79.95601	1.3
80.96385	2.3
81.03324	0.5
81.95174	0.5
82.95956	0.4
83.04879	0.5
85.02823	8.7
86.03127	0.2
87.00742	2.4
89.02306	0.3
93.03331	5.9
94.03668	0.2
94.97964	0.5
96.95892	0.8
97.02832	0.2
99.00751	0.2
99.04381	0.4
101.02309	0.4
103.72314	0.2
106.97922	0.2
109.02842	1.2
111.04394	1.3
113.02328	0.4
113.69601	0.2
121.02818	0.2
122.97490	0.2
125.02315	0.5
125.09601	0.3
126.87544	0.2
127.03905	2.3
132.02066	1.5
133.02864	1.1
134.03653	0.8
134.97479	0.2
135.04413	5.5
135.05434	0.3
137.02338	0.3
148.05151	0.2
150.03120	0.2
151.03870	0.2
152.98535	0.2
155.03340	0.3
160.01572	2.0
161.02348	3.6
164.98491	0.2
171.02911	0.7
171.10153	0.4
173.04466	2.9
174.03178	0.2
178.02748	0.2
179.03455	1.1
179.04819	0.2
191.05539	100.0
192.05884	2.8
197.11717	0.8
201.11134	0.2
209.11758	0.7
225.00713	0.7
227.00296	0.2
227.12802	0.6
230.09933	0.2
253.09293	0.2
289.18112	0.2
308.08875	0.3
352.08127	0.4
379.22824	0.2
407.22214	6.6
408.22589	0.6
425.23303	0.6
451.21243	7.3
452.21573	0.8
469.22446	0.2
471.15369	1.8
472.15860	0.4
473.15475	0.7
481.18521	0.2
527.18292	0.3
642.41052	0.2
643.27161	4.4
643.38257	0.2
644.27673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.5
61.98695	2.0
67.01740	0.7
68.43826	0.5
68.95712	0.5
69.03326	0.7
70.02068	2.4
71.01247	3.6
73.02828	1.2
78.98450	0.8
79.95605	7.2
80.96379	14.1
81.03323	1.4
82.78240	0.5
83.04910	1.5
85.02818	4.1
87.00739	2.2
88.97136	0.5
93.03333	7.4
94.97950	3.1
96.95866	1.5
97.02790	0.6
101.02308	0.9
106.97952	1.1
107.04932	0.9
109.02857	0.5
111.04394	3.0
113.02321	0.6
116.92728	0.6
117.03284	0.6
121.02795	0.5
122.97485	0.8
123.92339	0.5
125.02317	1.5
127.03912	1.3
129.01796	0.7
133.02882	2.6
133.84384	0.5
134.03621	15.2
134.97459	1.0
135.04405	100.0
136.04776	3.6
137.02341	3.2
139.03874	1.0
148.99048	1.2
152.88063	0.5
152.98491	1.1
155.03410	3.3
161.02409	0.7
161.04570	0.8
164.98557	3.5
171.10156	1.3
173.04466	12.6
177.01863	0.8
178.02618	5.5
179.03410	58.6
180.03712	1.6
182.99524	0.7
191.05534	19.3
192.05824	1.2
197.11760	2.6
201.11269	0.7
206.99709	0.8
207.10168	1.2
209.11739	3.2
211.13380	1.1
225.00693	5.4
225.11322	0.8
243.01797	0.7
289.18021	1.9
291.19717	0.6
299.04443	1.1
422.37701	0.6
425.23254	6.2
426.23767	0.8
451.21194	1.4
455.53601	0.6
469.22275	8.7
470.22797	1.1
471.15387	15.0
472.15610	1.2
481.18033	0.6
502.14545	0.6
527.18024	3.4
543.17743	0.9
577.62512	0.5
643.27020	16.6
644.27094	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	643.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16146	0.4
55.01782	0.4
57.03323	0.5
59.01246	5.3
61.98698	4.3
67.01743	0.6
69.03344	1.2
69.48566	3.5
71.01255	6.3
72.99170	0.5
73.02818	2.0
78.95795	0.8
78.98495	0.4
79.95579	2.7
80.02567	0.8
80.96384	3.7
81.03345	1.3
81.95226	1.0
82.95962	1.3
83.01261	0.9
83.04896	4.3
84.02056	0.5
85.02829	3.7
87.00764	2.0
89.02325	3.0
93.03338	4.1
94.97950	0.5
95.01266	0.7
95.04873	0.7
96.95885	20.8
97.02874	0.8
97.06499	1.1
99.00750	0.8
101.02322	4.7
109.06505	0.5
111.00740	0.5
111.04403	0.6
113.02325	2.0
119.03400	1.0
121.06448	0.5
125.02345	1.5
125.09579	0.6
127.03912	1.5
135.04434	1.0
135.08043	0.6
137.02448	0.4
139.07568	0.4
142.81386	0.4
145.04958	0.5
151.03900	0.6
153.09109	0.9
153.12697	1.0
161.02342	0.6
161.04454	1.7
163.11186	2.7
164.98505	0.6
165.12769	1.5
169.12254	6.3
171.10147	2.6
173.04497	2.8
179.10635	0.9
181.12221	1.0
187.07533	0.6
191.05525	18.6
191.10625	0.5
192.05864	1.4
197.11754	100.0
198.12125	4.7
199.13351	1.8
201.09148	0.4
201.11220	0.8
207.10184	1.0
209.11757	78.6
210.12119	3.6
215.07077	1.3
225.00571	0.9
225.05577	0.6
225.11276	1.1
227.00302	0.7
227.10710	0.9
227.12834	11.3
229.08629	0.4
233.08125	2.6
235.08174	3.5
235.13326	1.5
253.09258	8.6
254.09619	0.4
389.23312	0.5
397.12735	0.4
407.22583	0.6
425.23254	0.9
433.20834	3.5
434.21231	0.5
451.21280	2.9
471.15189	2.1
472.15671	0.8
473.15659	2.5
481.18600	1.2
529.17926	0.5
546.10699	0.8
599.37708	0.8
607.31018	0.9
625.32605	0.7
627.15228	0.4
643.25696	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	645.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.1
59.01249	1.3
60.99189	0.5
67.01761	2.3
69.03326	0.7
70.94550	0.9
70.94898	1.3
71.01260	3.5
73.72173	0.5
81.03387	0.7
83.04898	0.9
85.02814	9.1
87.00746	3.6
93.03337	15.9
94.03677	0.6
99.04428	0.8
108.02065	2.4
109.02833	2.4
111.00793	0.8
111.04406	1.9
121.02842	2.0
122.03642	0.7
123.00731	0.7
124.01566	4.7
125.02319	2.4
125.09637	1.5
126.03117	1.3
127.03904	2.9
127.11192	0.9
128.20471	0.5
132.02083	1.9
133.02856	4.6
134.03622	6.8
135.04413	77.3
136.04776	1.9
137.02333	2.7
137.05875	0.6
139.03838	0.6
139.11188	7.6
142.86603	0.6
150.03096	3.5
151.03902	9.7
155.03424	0.7
155.10709	0.7
156.35173	0.6
159.04472	0.7
160.01585	2.5
161.02356	8.0
162.02928	0.6
171.10176	12.7
172.05217	0.6
172.10515	0.7
173.04475	15.1
173.05966	0.9
174.03180	0.9
175.04926	0.6
177.01854	1.2
178.02596	2.6
179.03407	17.8
180.04048	2.0
181.04909	0.7
183.10257	1.1
185.11723	3.1
191.05531	100.0
192.05801	4.7
193.08383	18.5
197.06012	0.8
199.09798	0.7
201.11241	1.8
207.10013	1.3
209.07913	1.3
211.07625	0.5
215.05536	1.4
222.08665	2.3
223.09218	1.6
224.09404	0.6
236.10234	2.2
237.08855	1.1
237.10876	1.1
238.10645	0.6
262.12030	1.0
266.13046	1.0
275.20001	1.2
290.07852	1.3
293.21106	3.8
307.08243	3.9
308.08960	12.3
309.09277	1.2
309.20654	1.4
310.21143	1.1
311.22269	24.4
312.22433	1.2
313.17938	1.2
314.18106	1.4
315.19370	2.9
331.18951	5.0
332.19193	5.6
333.20001	4.4
351.07196	6.0
352.07886	8.7
353.08511	1.8
380.49420	0.6
384.15622	1.2
391.22586	0.7
409.23871	9.6
410.24222	1.5
427.24814	4.6
453.22791	19.9
454.22791	3.1
471.23770	0.7
505.29996	0.9
550.31830	0.7
627.29767	0.7
645.29462	9.9
645.43109	5.0
646.29382	1.3
646.43750	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	645.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.4
59.01244	1.8
60.99181	5.9
65.03844	0.7
67.01761	13.8
69.03335	4.1
71.01262	3.7
71.14622	1.6
78.95775	1.7
81.03326	2.2
83.04893	2.4
85.02824	1.5
87.00748	18.9
93.03333	100.0
94.03676	2.5
99.00768	1.7
99.04391	1.1
109.02838	1.5
111.04397	12.8
113.02270	0.6
115.03876	0.9
121.02822	0.6
129.01822	2.7
133.02824	2.1
134.03633	11.0
135.04414	14.2
137.02362	3.1
152.99512	1.1
155.03412	3.0
166.53471	0.7
173.04465	56.0
174.04796	1.5
178.02600	3.5
179.03374	4.3
191.05580	5.3
293.21185	4.4
471.23837	8.0
472.24408	0.9
532.49963	0.6
616.59985	0.7
645.29120	60.5
646.29419	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	645.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59168	0.5
57.03321	0.8
59.01234	1.7
60.99156	1.1
65.03844	0.5
67.01757	5.5
69.03310	1.3
69.86854	1.0
69.87271	1.5
71.01251	3.5
81.03310	1.4
83.04890	1.3
85.02823	7.8
87.00746	5.8
93.03333	31.9
94.03667	0.7
97.58192	0.4
98.19811	0.6
99.00767	0.8
99.04388	0.8
109.02831	1.4
110.03709	0.4
111.04374	3.9
113.02244	0.6
117.88492	0.5
124.01550	1.1
125.02305	0.8
127.03901	2.1
129.01825	0.6
132.02071	1.7
133.02859	4.5
134.03635	5.1
135.04413	23.6
136.04771	0.6
137.02377	1.6
139.11188	0.6
147.04422	0.5
150.03127	1.4
151.03876	2.0
152.56419	0.5
155.03384	0.9
159.04454	0.5
160.01613	2.6
161.02341	10.1
171.02896	0.6
171.10172	1.5
173.04462	19.6
173.05963	1.1
174.03210	0.9
174.04836	1.2
175.03848	0.6
177.01823	0.6
178.02625	1.9
179.03406	5.8
191.05533	100.0
192.05861	3.7
193.08418	0.6
198.09132	0.5
199.03906	0.7
199.09697	1.4
201.11272	1.6
207.10126	0.9
209.11754	2.2
215.07274	0.5
218.15033	0.4
225.11311	0.7
227.10738	0.5
250.08768	0.5
269.11774	0.9
279.05301	0.4
293.21194	1.9
307.08209	0.8
308.09000	2.2
311.22223	2.1
312.22952	0.7
351.07123	2.4
352.07977	1.9
353.08652	0.8
365.14136	0.8
366.14645	0.7
383.14932	1.4
384.15756	1.3
409.23819	5.5
427.24832	5.5
428.25113	0.9
453.22781	16.7
454.23260	2.1
511.14029	0.5
643.47491	0.5
645.29755	13.4
646.29950	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	645.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.3
57.03317	1.6
58.93550	0.2
59.01246	2.1
60.99177	5.0
65.03831	0.7
67.01758	14.2
69.03323	3.6
69.41767	2.3
71.01251	5.2
73.02823	0.3
75.76104	0.3
78.95753	0.9
81.03327	2.7
83.04908	2.1
85.02824	1.5
87.00749	19.1
93.03330	100.0
94.03674	2.5
95.01306	0.2
97.02807	0.3
99.00768	1.8
99.04373	1.2
109.02843	1.1
111.00768	0.5
111.04398	13.8
112.04740	0.4
113.02328	1.1
115.03918	0.6
120.62003	0.3
121.02886	0.4
129.01814	2.3
131.03371	0.3
131.07022	0.5
133.02834	1.9
134.03624	13.1
135.04417	10.9
137.02325	3.2
139.03905	0.5
143.03471	0.4
155.03391	4.2
173.04462	53.6
174.04759	1.7
177.01891	0.6
178.02623	4.3
179.03407	3.3
191.05504	4.3
193.02158	0.3
209.11678	0.6
243.13879	0.3
293.21210	5.1
324.17157	0.3
409.23331	0.6
427.24747	1.0
471.23853	3.7
472.24402	0.4
645.29077	38.2
646.29449	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	645.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01945	0.3
57.03317	0.3
59.01258	1.0
67.01754	0.2
71.01250	0.7
71.04900	0.2
71.39017	0.4
80.02545	1.3
81.03336	1.3
83.01256	0.4
83.04884	5.1
83.05360	0.3
84.02036	2.2
85.02833	0.5
87.00761	0.5
89.02303	0.3
93.03334	0.7
94.72314	0.2
95.04922	0.9
96.95900	1.1
97.06445	0.3
101.02306	0.4
109.06508	0.3
125.05950	0.7
125.09615	0.5
135.08058	0.9
137.02338	0.4
163.11186	4.2
164.11504	0.3
165.01842	2.4
165.03122	0.4
165.12755	2.9
166.87715	0.3
173.04486	0.7
179.03406	0.5
180.04214	1.3
181.04898	0.3
181.12247	0.6
191.05508	3.6
191.07063	0.4
191.10721	1.0
194.05780	0.5
195.06587	1.5
209.11757	100.0
210.12094	5.5
225.07570	1.3
227.12823	36.6
228.13188	2.1
289.76163	0.3
352.96609	0.3
389.15826	1.3
441.07614	0.3
503.92133	0.3
567.22473	0.7
643.05054	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	645.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01945	0.3
57.03317	0.3
59.01258	1.0
67.01754	0.2
71.01250	0.7
71.04900	0.2
71.39017	0.4
80.02545	1.3
81.03336	1.3
83.01256	0.4
83.04884	5.1
83.05360	0.3
84.02036	2.2
85.02833	0.5
87.00761	0.5
89.02303	0.3
93.03334	0.7
94.72314	0.2
95.04922	0.9
96.95900	1.1
97.06445	0.3
101.02306	0.4
109.06508	0.3
125.05950	0.7
125.09615	0.5
135.08058	0.9
137.02338	0.4
163.11186	4.2
164.11504	0.3
165.01842	2.4
165.03122	0.4
165.12755	2.9
166.87715	0.3
173.04486	0.7
179.03406	0.5
180.04214	1.3
181.04898	0.3
181.12247	0.6
191.05508	3.6
191.07063	0.4
191.10721	1.0
194.05780	0.5
195.06587	1.5
209.11757	100.0
210.12094	5.5
225.07570	1.3
227.12823	36.6
228.13188	2.1
289.76163	0.3
352.96609	0.3
389.15826	1.3
441.07614	0.3
503.92133	0.3
567.22473	0.7
643.05054	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	645.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25672	1.1
52.02139	0.9
55.01738	1.8
57.03311	2.5
59.01245	15.9
61.98700	3.0
64.37233	1.1
67.01744	1.5
69.03313	2.8
71.01246	20.0
71.58536	1.3
72.99174	1.3
73.02824	7.7
75.00741	1.4
80.96382	1.5
81.03267	1.5
83.01246	3.2
83.04890	23.0
85.02816	22.3
87.00731	5.5
89.02306	5.9
93.03339	9.9
95.01266	2.7
96.95874	7.3
98.95483	1.1
99.00752	3.5
99.04408	1.8
101.02323	13.2
109.02836	2.3
111.00721	2.6
111.04399	4.0
113.02323	6.7
115.91961	1.4
116.92749	3.8
119.03360	1.4
121.06470	3.0
122.03631	2.6
125.02341	2.5
127.03897	80.6
128.04257	1.1
131.03398	1.5
135.04378	2.8
137.02235	1.4
137.05957	3.5
139.00246	1.2
139.07541	24.1
159.04408	3.0
161.04401	4.0
165.05467	13.3
171.02905	1.5
171.10144	2.0
172.05255	1.1
173.04489	6.8
187.07578	1.2
191.05531	100.0
192.05872	5.4
193.06099	1.4
196.05281	1.1
197.11722	4.8
198.12132	3.2
199.03958	6.9
199.09677	5.6
199.13396	1.9
200.10129	1.2
201.11224	4.0
203.03418	4.3
207.10190	1.6
209.11780	11.6
209.74355	1.4
210.12067	3.1
215.07243	1.2
227.10709	3.9
227.12785	3.8
240.04242	3.6
253.08987	1.6
259.91708	1.1
269.11725	1.3
300.54767	1.1
383.14917	14.5
384.15701	16.6
409.23993	2.4
421.33252	7.4
427.24408	1.4
439.34558	1.8
453.22745	22.6
454.22977	3.4
517.33636	13.4
518.34180	1.5
535.34680	3.3
601.39484	39.4
602.39819	5.1
607.38519	1.6
627.37384	2.7
645.27887	1.6
645.38556	26.8
646.38654	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	645.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04927	0.9
57.03311	2.0
59.01232	1.6
59.42114	0.8
60.99178	0.9
61.98701	1.1
63.49003	1.2
66.19083	0.9
67.01752	1.4
69.03314	1.1
69.48689	5.6
69.49097	1.6
71.01259	1.8
78.95792	1.6
83.04903	1.6
85.02827	3.6
87.00751	2.7
88.75514	1.0
93.03311	7.9
94.03688	1.3
95.04897	1.0
96.95863	1.0
97.02804	1.3
99.08027	2.6
111.04396	1.4
113.09595	2.7
125.09642	2.3
126.03020	0.9
127.02570	1.1
129.09084	2.0
133.02888	1.8
134.03613	2.4
135.04404	15.3
137.02370	1.1
139.11205	3.2
147.11690	2.3
151.03876	2.0
153.12929	1.0
161.02330	2.2
162.84102	0.9
163.11148	1.8
164.12611	1.2
164.97826	0.8
165.12738	3.0
169.12233	2.7
171.10164	7.0
173.04472	5.0
179.03397	4.2
181.12309	2.4
183.13788	1.6
191.05527	32.7
192.05930	1.3
193.08392	4.6
193.12259	2.1
197.11717	7.1
199.09596	3.0
199.13260	3.2
201.11247	3.0
206.28897	1.1
207.10173	1.5
209.11790	4.3
211.13280	9.9
215.07085	1.4
215.10370	5.2
219.09988	1.1
227.12935	1.2
231.09915	1.0
233.11536	41.0
234.11919	3.5
236.10448	1.0
249.22145	1.4
293.21194	9.6
294.21716	1.3
308.09003	2.7
309.20636	3.0
311.22250	100.0
312.22537	8.3
313.23846	2.5
322.64432	1.0
331.18942	2.9
333.20425	5.6
350.83972	1.0
351.07318	1.1
352.08017	1.4
409.23831	3.8
453.22733	3.9
471.23676	1.4
545.33313	1.9
645.28644	4.3
645.43610	13.0
646.43695	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	645.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49879	0.3
56.34908	0.3
59.01243	0.7
59.98367	0.5
62.77542	0.4
64.21095	0.3
70.45597	1.3
71.01250	10.7
78.16625	0.3
78.95759	0.4
85.02811	1.0
87.00711	0.4
91.72514	0.4
91.97013	0.4
93.03325	1.9
99.04440	0.4
111.04377	1.0
125.09618	1.1
125.99237	2.7
133.02861	0.8
134.03633	4.4
135.04419	4.6
136.04683	0.4
137.02295	0.9
139.11159	0.8
141.09084	0.8
141.12708	0.4
143.10643	0.4
150.03113	0.3
153.09094	0.6
155.03357	0.6
155.10661	1.0
157.12260	0.5
157.38414	0.4
165.01596	5.3
167.10693	1.4
171.10162	0.8
173.04475	3.7
174.04813	0.4
177.01924	0.5
178.02609	1.7
179.03365	0.8
191.05489	0.9
193.04715	1.2
193.08347	1.9
194.05505	0.4
197.11763	0.4
199.09595	0.8
201.11244	0.6
205.08377	0.5
207.10043	0.5
209.11870	0.9
212.02969	0.4
221.07919	3.7
222.08675	73.7
223.09103	3.2
236.10254	17.4
237.10536	0.8
247.20581	0.5
249.22281	0.5
254.07681	7.4
262.11758	0.8
265.21747	0.8
268.09348	0.5
293.21228	4.7
303.19379	0.5
305.21017	0.7
311.22253	20.1
312.22440	1.9
333.20447	100.0
334.20786	8.1
351.20386	0.6
368.50723	0.4
382.38501	0.4
427.25183	0.7
471.23862	4.3
472.24042	0.9
509.43503	0.4
534.30548	2.8
535.30762	0.4
548.31921	0.6
645.30151	0.8
645.42090	2.7
646.42712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99135	1.1
57.03304	1.4
58.00462	1.8
59.01249	49.7
69.03304	1.3
69.88854	6.0
71.01249	71.4
71.04890	18.8
72.99184	1.9
73.02812	8.4
81.03333	1.6
83.01244	5.0
84.99799	1.0
85.02833	8.5
87.00739	5.1
87.04375	3.0
89.02316	16.4
89.05955	4.2
93.03326	1.7
95.01257	2.0
96.95872	3.1
97.02809	2.1
99.00764	3.1
99.04366	1.7
101.02328	11.3
111.00764	1.8
113.02326	9.5
119.03361	1.9
121.02834	18.9
125.02356	6.7
125.09655	1.9
131.03389	9.6
134.03625	24.2
135.04343	2.6
143.03348	1.7
145.04977	2.7
147.00761	3.2
149.04477	6.6
149.09605	4.9
153.47476	1.4
161.04419	1.4
165.01805	2.0
168.17685	1.1
173.04451	2.0
177.09117	4.7
191.05571	10.3
201.11252	5.3
201.60185	1.2
202.06004	1.3
205.07074	3.4
209.11731	6.1
215.05484	2.1
221.08134	100.0
222.08441	5.2
227.12735	1.7
233.06581	1.7
233.10226	4.0
237.07686	6.6
251.11290	3.2
275.07678	1.3
276.06238	1.1
291.08746	12.0
292.09039	1.4
293.12402	1.8
333.80154	1.1
337.94116	1.2
365.14523	42.1
366.14670	3.7
381.11862	6.3
513.16071	81.9
514.16327	6.5
622.81183	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	647.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.7
56.04897	0.5
57.03315	1.8
58.00454	0.5
59.01248	20.2
61.98682	0.9
63.18087	0.5
69.03326	7.9
69.28191	5.9
71.01248	22.8
71.04887	24.0
72.99176	1.2
73.02809	2.2
75.00741	0.9
75.02271	0.9
77.03870	0.6
82.95284	0.7
83.01251	3.3
83.04890	1.1
85.02818	4.0
87.00746	2.5
89.02302	5.9
89.05950	1.5
93.03318	3.5
96.95890	3.3
97.02831	1.3
97.06436	0.9
99.00665	0.8
101.02332	4.5
105.01812	1.7
107.04904	1.3
111.00775	0.6
111.04400	0.9
113.02315	4.2
119.03387	0.7
120.99590	0.8
121.02834	18.3
124.01507	0.9
125.02324	1.6
125.09579	1.5
131.03381	1.8
134.02629	1.3
134.03619	20.3
134.04628	1.3
134.05756	0.7
135.04376	2.3
137.02335	1.3
141.09152	1.3
143.03395	0.8
147.00745	2.3
147.08061	0.8
149.04424	2.2
149.09621	4.1
161.02333	0.8
161.04430	0.9
165.01855	2.0
173.04497	1.7
175.07518	0.6
177.09100	5.0
179.03459	0.9
190.99768	1.1
191.03912	0.9
191.05547	10.4
192.05910	0.7
193.08551	0.8
199.09683	0.7
201.11256	2.5
206.85114	0.6
209.11739	4.1
210.12112	1.1
215.12758	0.8
221.08128	100.0
222.08452	5.1
227.12883	1.1
233.10222	2.0
237.07637	2.5
249.14876	2.1
251.11250	0.9
253.04594	0.6
253.09355	0.6
291.05453	0.7
291.08725	14.9
293.12506	1.0
332.64789	0.6
363.10852	0.8
365.14487	12.3
366.14874	1.2
381.12018	1.4
397.13535	1.0
513.16040	32.6
514.16833	4.4
517.33588	0.7
613.83405	0.6
647.37109	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	647.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16234	1.0
59.01244	2.9
61.44936	0.9
61.98669	1.3
67.01753	3.6
69.03323	1.6
70.94366	2.6
71.01249	2.7
81.03307	1.7
85.02831	7.6
87.00764	4.5
88.85816	1.1
93.03339	24.0
105.51416	0.9
109.02830	1.5
109.06509	0.9
111.04388	4.9
124.01556	1.1
125.09657	1.2
127.03921	1.4
132.02028	1.7
133.02832	6.8
134.03653	9.5
135.04411	29.6
136.04655	1.1
137.02316	4.4
148.05231	0.9
150.03101	1.2
151.03877	3.6
155.03384	2.1
160.01573	2.4
161.02365	6.4
171.10196	1.3
173.04460	18.9
177.01825	1.9
178.02699	5.6
179.03439	6.7
184.28058	1.0
191.05536	100.0
192.05940	3.0
201.11230	2.7
229.12326	2.4
268.64734	1.0
295.22830	1.6
307.19095	1.4
308.09027	4.0
351.07214	3.7
352.07932	3.7
411.25430	7.1
429.26443	5.6
455.24350	17.0
456.24911	2.8
473.25467	1.9
647.30914	13.1
648.31482	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	647.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12627	1.3
59.01252	4.4
60.60612	1.2
60.99177	2.6
67.01751	8.9
69.03312	3.1
70.43217	5.1
71.01241	6.2
78.95780	1.8
79.63870	1.3
81.03327	2.5
83.04882	2.6
85.02818	9.6
87.00745	11.9
93.03333	64.1
94.03675	1.4
99.00741	1.8
107.04898	1.3
109.02838	2.7
111.04371	7.8
121.02877	2.3
122.03616	1.8
124.01556	7.5
125.02309	3.2
125.09610	1.9
126.03131	2.0
127.03890	2.7
129.01813	1.6
132.02005	1.5
133.02863	6.9
134.03607	11.6
135.04408	86.7
136.04745	4.0
137.02365	6.2
150.03140	3.2
151.03903	11.5
155.03384	2.8
160.01518	3.1
161.02290	6.2
173.04472	28.2
173.05952	1.7
174.03139	1.4
174.04761	2.0
177.01854	1.7
178.02643	7.9
179.03435	22.1
180.04092	2.7
187.09732	2.4
191.05528	100.0
192.05801	1.5
199.13351	1.5
201.11240	2.1
211.07603	3.0
268.14548	2.0
307.08087	6.1
307.19168	3.6
308.05627	2.1
308.08987	17.7
309.09448	1.6
343.76974	1.3
351.07034	6.3
352.07983	12.2
411.25235	12.7
416.12344	1.6
429.26422	6.1
455.24329	26.2
456.24750	1.8
473.25040	3.5
647.30670	46.5
647.40930	2.9
648.30939	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	647.3963
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
56.41337	0.8
57.70468	0.9
59.01234	2.4
71.58827	1.1
74.87674	0.9
77.03821	1.1
78.95772	1.6
81.03373	0.8
93.03300	1.0
95.04889	2.1
95.39977	0.7
105.03338	9.1
123.04449	1.0
125.09656	1.1
132.02051	4.0
133.02850	45.9
134.03255	1.3
151.46405	0.9
152.99557	1.1
154.60529	0.9
160.01572	18.8
161.02011	1.1
175.03912	17.9
176.04271	0.9
177.01854	7.8
191.05521	2.4
307.19077	1.4
369.53061	1.0
439.46628	0.9
632.37128	20.3
633.37518	3.5
647.39471	100.0
648.39832	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	648.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80221	0.4
56.47373	0.4
58.02843	4.8
59.01262	2.2
59.01527	0.5
61.98694	0.7
66.03343	0.9
70.02853	0.8
71.01245	2.4
71.29832	1.1
72.00763	0.8
72.99176	0.6
74.02341	13.6
75.00729	0.5
75.54481	0.4
81.04441	0.7
82.02836	1.7
83.04911	0.7
84.00747	0.6
84.04425	0.5
85.02836	0.8
86.02348	4.0
86.05982	1.0
86.98961	1.2
87.00755	1.2
87.05496	3.2
88.03944	0.4
89.02307	0.8
90.00025	1.1
93.03344	1.2
96.04475	0.6
96.95883	2.2
97.03938	2.0
99.05518	11.1
101.02305	1.1
101.07070	1.2
101.30991	0.4
102.05508	1.1
104.16477	0.5
107.06018	0.7
109.03967	1.7
109.06490	0.7
109.07545	0.5
111.05498	0.9
112.03922	1.3
112.11418	0.6
113.02367	0.6
113.03401	0.6
116.01608	0.7
118.05395	0.6
120.01131	0.6
123.05518	0.7
124.03973	0.9
125.03424	1.4
126.01842	0.6
127.05010	2.5
128.03418	29.7
131.04462	0.5
135.04544	0.6
135.05513	2.3
137.07111	0.5
138.92525	0.4
139.02115	0.7
141.06590	2.3
141.09084	0.7
143.04515	38.8
144.04910	1.0
145.06096	1.0
146.04498	3.7
153.06607	2.7
160.00642	10.8
162.66435	0.5
163.11269	0.6
166.09705	1.6
167.04500	2.7
167.08173	1.3
171.10197	0.4
173.04478	1.2
177.03311	3.8
179.04535	8.6
184.10780	0.5
185.05597	1.4
191.05550	6.1
192.05905	0.7
192.07607	0.6
197.05608	1.4
201.11253	0.5
207.10130	1.5
210.08766	8.2
231.04390	0.5
242.07805	1.5
254.07771	9.9
272.08865	19.2
273.09204	0.7
288.06589	7.8
289.07086	0.6
306.07629	100.0
307.07928	5.0
339.16321	2.0
488.12991	0.7
506.61340	0.5
531.13977	0.5
538.52637	0.4
562.26776	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	649.412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89039	0.7
57.03304	0.6
59.01237	2.5
61.98699	1.3
70.88030	0.7
70.88361	1.4
71.01243	0.9
78.95770	1.5
95.04897	2.2
96.95936	1.0
105.03328	7.5
114.74564	0.6
123.04426	1.3
132.02032	4.5
133.02843	48.1
134.03191	1.6
146.12900	0.7
160.01559	17.2
171.10120	0.9
172.26425	0.6
175.03903	14.7
176.04167	0.7
177.01842	7.4
178.02460	0.7
191.05606	0.8
193.05086	0.8
201.11215	0.9
231.25523	0.6
289.18063	1.3
307.18939	1.3
321.17108	2.6
597.67596	0.8
634.38708	18.7
635.39008	3.8
649.41046	100.0
650.41412	20.6
650.52637	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	649.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53984	0.7
59.01244	2.1
69.40677	6.9
71.01254	1.3
71.55679	0.8
77.41297	0.8
78.66035	0.7
78.95779	1.2
82.66679	0.7
89.02330	1.2
93.03344	1.0
95.04902	2.1
96.95863	1.2
97.06458	1.9
98.19819	1.8
105.03325	5.8
113.26433	0.8
121.02835	0.8
122.31577	0.8
123.04430	1.1
123.08030	1.0
125.09603	4.3
132.02023	6.7
133.02847	37.7
134.03648	15.3
137.02299	1.1
137.05898	0.9
149.02264	0.8
149.05943	1.8
160.01558	29.6
161.01936	1.1
171.10158	2.6
175.03911	28.5
176.04250	1.2
177.01860	6.0
178.02592	2.2
187.09637	1.4
191.05490	1.3
193.03256	1.3
193.04976	12.1
201.11166	5.0
289.18115	1.6
291.19644	1.3
303.15790	0.8
305.17584	1.1
307.19040	3.4
313.18024	1.9
315.19580	1.6
315.60559	0.9
317.21075	2.5
321.16959	2.9
325.19922	1.1
330.18445	1.0
601.38580	1.0
602.38385	0.8
604.37842	6.3
613.35852	0.9
619.40222	7.7
620.40173	2.3
631.39948	2.1
634.38757	6.3
635.38751	1.7
649.41040	100.0
650.41406	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	649.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61938	1.6
57.03326	2.5
59.01250	6.0
61.98703	1.7
69.03305	1.5
71.58757	1.6
71.59163	2.2
78.95763	2.3
81.56998	1.4
83.04903	3.1
84.02055	4.5
88.50939	1.8
93.03323	2.1
94.21455	1.7
94.40079	1.6
96.95915	2.8
97.02837	2.3
97.06443	7.9
102.07037	1.5
110.03568	1.8
121.06476	2.7
123.04419	5.7
123.08049	8.1
125.09604	7.4
129.08063	1.5
137.09645	2.2
139.11189	4.8
142.02664	2.6
151.11211	4.8
152.99591	2.4
158.07069	1.6
167.07080	1.9
169.08731	1.9
171.10164	13.1
173.65970	1.5
187.09779	2.0
191.05579	2.2
193.12288	10.4
199.13344	18.8
201.11273	6.8
211.13380	2.9
213.11279	3.2
225.14931	17.5
243.15987	6.7
243.49529	1.6
245.19096	6.1
271.17154	1.9
275.16818	1.4
289.15424	2.0
289.18085	58.5
290.18439	3.1
291.19650	2.4
303.16010	2.1
305.17612	2.3
307.19125	100.0
308.19482	5.9
309.20697	3.7
321.16989	2.9
325.20142	3.4
337.16483	1.7
341.23282	91.0
342.23599	7.2
353.17313	3.6
407.46991	1.7
469.33096	3.2
470.25790	1.9
533.34839	1.8
559.85938	1.9
631.36615	1.9
649.39874	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	651.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	25.8
61.97905	6.6
67.01731	5.4
68.99685	19.8
69.03334	10.2
71.01250	20.9
71.57751	5.1
71.58205	7.6
74.41304	5.1
75.00755	5.4
87.00762	10.1
89.02320	19.3
93.03324	6.3
96.95863	9.9
100.26204	5.7
101.02303	42.6
104.46902	5.9
107.04889	6.3
111.04372	5.6
113.02328	9.5
119.03479	9.2
119.04923	100.0
121.02842	15.5
127.03896	9.2
135.04411	13.6
136.97003	5.8
141.56931	5.4
147.04375	7.4
151.03926	6.7
163.03915	88.1
164.00391	5.3
177.05438	7.9
181.04980	5.9
182.08463	5.0
191.03383	10.5
191.05402	5.9
195.06541	18.0
223.06070	8.8
267.05032	12.2
292.82574	6.2
325.09015	10.2
330.82996	6.2
406.91168	5.4
481.12259	6.0
485.66666	6.5
499.14432	43.1
500.14728	7.4
517.15466	17.0
529.15271	7.5
551.03687	7.0
607.18512	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	651.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49479	2.0
57.10297	2.5
59.01240	6.1
69.45600	20.7
69.65026	2.3
71.01243	8.1
78.95765	5.5
85.02815	3.7
89.02337	3.3
90.62845	2.1
93.03352	17.6
96.95884	11.0
98.19663	2.3
98.25677	2.5
101.02319	4.4
102.75235	2.5
108.02046	8.7
109.02841	10.8
119.04916	39.7
121.02871	3.0
121.12650	2.1
133.02846	8.1
134.03619	8.2
135.04405	35.6
137.02313	7.3
143.04984	3.0
147.04420	9.9
148.05165	4.2
149.05978	2.6
150.03120	11.2
159.04402	2.8
161.05989	11.0
163.03922	13.8
171.10138	6.8
173.04477	2.9
178.02638	24.1
179.03419	15.7
191.05476	18.9
192.05984	3.2
206.39224	2.2
226.06248	3.4
227.07011	4.0
235.07652	2.9
239.07147	3.0
243.13983	2.4
252.07851	10.6
253.08670	100.0
254.09401	47.6
255.10188	30.4
256.10211	2.6
266.72101	2.5
286.08005	2.6
307.19067	3.0
309.20612	5.0
331.79205	2.4
342.07706	5.5
343.08322	3.8
422.08960	3.0
443.24252	10.9
443.47745	2.5
453.67792	3.0
453.73761	2.7
454.02548	2.7
563.30151	7.3
607.28802	5.7
651.28235	37.5
651.38605	3.8
652.28516	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	651.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	4.4
59.01249	13.0
59.09624	0.9
61.98700	1.0
62.26401	0.9
67.01751	2.2
68.59942	1.0
69.03321	2.5
71.01250	11.2
71.54243	1.0
71.59071	1.3
72.99184	2.1
73.02820	1.7
75.00735	1.9
79.29652	0.9
83.01263	1.7
83.04891	4.0
85.02816	5.5
87.00748	5.4
88.98671	1.6
89.02306	7.1
93.03330	8.8
95.01246	1.2
96.95875	7.5
97.06454	12.9
99.04391	1.4
101.02322	7.5
109.02839	1.9
111.04365	1.1
113.02330	5.1
117.55144	1.0
119.03374	2.6
119.04975	1.2
123.08033	7.5
125.02291	1.2
125.09609	100.0
126.09953	3.9
127.11164	1.2
135.04399	2.5
137.02344	1.8
138.61818	0.9
143.10655	1.4
149.06026	0.9
155.03380	1.3
161.04492	2.0
163.07579	1.0
169.08598	2.5
171.10133	2.3
173.04482	7.3
187.09680	89.4
188.09995	4.0
191.05537	37.3
192.05891	3.0
201.09479	1.7
201.11243	14.2
202.11630	1.1
203.10718	1.4
209.11768	19.6
210.12175	1.7
227.12863	2.0
239.23637	0.9
253.09277	3.3
255.06584	1.1
255.23167	1.1
261.13580	1.9
327.21906	2.0
377.31332	1.0
405.17606	4.0
423.13025	1.3
423.18640	15.5
424.19025	1.3
449.14053	1.6
471.26065	1.0
607.19781	1.9
607.29645	40.6
608.30176	6.9
615.30292	3.0
633.31238	66.8
634.31775	9.4
634.41150	1.5
651.32623	19.4
652.32269	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	651.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.3
55.65245	0.4
57.03316	1.5
58.00455	1.8
59.01249	34.6
61.98703	0.7
69.03310	2.1
69.36774	4.4
71.01247	33.0
72.01585	0.6
72.99176	2.6
73.02813	5.2
75.00744	0.9
78.95783	1.0
80.65759	0.4
81.03337	2.1
83.01256	3.9
85.02814	7.5
85.03285	0.7
85.99929	0.6
87.00743	7.8
87.04391	0.6
89.02311	29.2
90.02648	0.6
93.03299	0.6
95.01243	1.8
97.02813	5.2
99.00737	2.5
101.02315	26.4
109.02782	0.5
111.04370	1.3
113.02325	12.4
114.02692	0.7
115.03905	0.5
119.03380	9.9
121.02813	0.9
125.02327	12.0
125.09587	0.5
127.03924	0.8
128.81952	0.5
130.77997	0.4
131.03366	1.5
133.04898	0.9
135.04463	0.6
139.03932	0.9
141.01862	0.5
143.03389	6.7
149.04469	0.7
152.65709	0.4
161.04440	6.5
167.03354	0.8
171.10127	0.7
173.04404	0.6
179.05533	6.6
191.05501	1.2
201.11365	0.6
209.11832	0.8
217.07021	0.6
219.04892	0.5
221.06596	1.6
235.08173	12.3
236.08528	0.5
253.09302	3.1
253.21686	100.0
254.22031	7.1
263.07733	1.5
277.09348	1.0
287.07703	2.6
291.19528	1.2
305.08771	3.8
307.19189	0.5
309.20483	1.3
323.09668	1.8
327.21710	0.6
379.12271	1.0
397.13458	76.1
398.13928	5.4
415.14563	30.6
415.19580	0.4
415.20486	0.8
416.14865	2.0
466.99146	0.5
651.29761	0.6
651.41345	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	651.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11388	0.5
50.78352	0.6
57.03321	2.1
58.16682	0.6
59.01233	1.7
61.64838	0.7
71.59003	0.9
71.59393	0.7
78.95779	3.0
81.03318	0.7
84.99576	0.6
89.82959	0.6
95.04893	0.9
109.06490	1.3
110.03588	0.7
121.06465	2.0
123.04404	3.7
123.08041	7.5
125.09586	1.6
137.09624	1.2
139.11162	3.9
142.02643	1.7
148.08754	0.7
149.05997	0.6
149.09612	0.9
151.11169	2.2
152.99463	2.9
155.14328	1.8
165.69199	0.7
171.10109	0.9
172.85815	0.7
177.12772	1.7
191.14204	0.6
199.13313	14.4
199.15059	1.1
201.11180	1.5
203.58624	0.6
221.11725	0.8
233.15363	1.6
240.45789	0.7
240.90472	0.7
245.19115	5.8
247.16818	0.9
265.18115	0.7
265.94138	0.6
271.16956	1.4
289.18082	57.9
290.18491	3.7
307.19119	100.0
308.19467	7.6
309.20563	0.7
310.93265	0.6
311.22116	0.9
325.20224	2.4
540.60468	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	653.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	5.8
63.57224	0.9
69.30489	0.8
70.97486	2.1
71.01250	1.2
73.81538	0.9
77.08153	0.7
78.95772	52.8
80.96392	2.0
85.02843	1.3
89.11549	1.0
96.96839	11.3
96.97417	1.4
125.09635	1.2
152.99483	53.6
171.10214	1.3
178.95941	2.2
191.05496	1.0
209.11855	1.0
216.99684	0.9
223.00052	2.4
241.01141	27.0
255.23253	67.1
256.23611	5.0
280.99237	2.0
289.18210	0.9
291.19775	1.6
292.20078	2.2
307.19226	2.1
309.20578	2.1
310.20959	2.6
315.04886	8.7
330.95621	0.9
341.23297	1.1
342.23578	1.7
344.24960	1.3
355.02759	4.3
391.22809	2.3
397.13553	3.7
555.28217	3.7
571.28864	100.0
572.29010	9.8
593.25824	2.0
603.94708	0.9
634.46082	1.1
653.32874	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	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.3
55.41062	0.1
57.03321	1.1
57.45635	0.2
58.00194	0.2
58.00465	2.0
59.01248	37.7
60.01576	0.4
61.37205	0.2
61.98707	0.2
62.85807	0.1
67.01764	0.4
68.99680	0.4
69.03323	2.1
70.34192	0.2
70.34551	0.5
71.01249	36.4
72.01595	0.5
72.99178	2.7
73.02813	5.2
75.00745	0.6
78.95773	1.8
80.89376	0.2
81.03336	1.4
83.01250	4.8
83.04874	0.2
84.54208	0.1
85.02817	7.7
85.99971	0.4
87.00746	8.7
87.04353	0.2
89.02312	30.9
90.02641	0.5
90.47910	0.1
91.03877	0.7
93.03355	0.3
94.10803	0.2
95.01248	2.6
95.04931	0.2
96.96832	0.2
97.02824	6.3
98.03180	0.2
98.19801	0.2
99.00136	0.3
99.00748	2.4
99.04386	0.6
101.02316	30.6
102.02657	0.6
103.00227	0.4
103.03896	0.2
107.04911	0.2
109.02830	0.8
111.00751	0.6
111.04376	1.1
112.01524	0.2
113.02323	14.5
114.02653	0.4
115.03888	0.9
119.03382	9.0
119.57785	0.2
120.03642	0.2
121.02823	0.6
123.00748	0.3
123.04391	0.2
124.01544	0.4
125.02331	13.1
126.02705	0.2
127.03883	0.5
127.61362	0.1
129.01823	0.5
131.03386	1.6
133.04968	1.1
137.02328	0.3
139.00258	0.2
139.03891	1.0
141.01825	0.7
141.05479	0.2
142.02623	0.1
143.03391	6.1
149.02354	0.3
149.04433	0.7
151.03842	0.2
152.99481	1.9
159.02919	0.3
161.04454	6.4
161.05801	0.3
163.03938	0.2
167.03400	0.6
169.04968	0.5
171.02861	0.4
179.05516	6.1
180.05876	0.2
181.04933	0.2
185.04468	0.6
191.05495	0.2
199.06085	0.5
203.05551	0.5
217.07196	1.2
219.05008	0.4
221.06596	2.3
235.08186	13.8
236.08539	0.5
237.22198	0.2
241.01074	1.0
245.06627	1.0
249.94952	0.1
253.09273	3.2
255.23251	100.0
256.23596	8.7
256.26343	0.4
263.07681	1.4
269.24887	0.7
277.09241	1.0
287.07721	3.3
297.24500	0.2
305.08707	3.7
315.04932	0.3
323.09811	1.7
361.11316	0.5
379.12451	1.0
397.13464	78.2
398.08429	0.3
398.13788	6.2
415.14529	28.8
416.14899	2.2
571.28784	2.6
572.29187	0.5
653.37933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.4
57.03321	1.2
58.00461	2.4
59.01248	45.0
60.01583	0.4
61.98689	0.7
67.01765	0.3
68.99678	0.4
69.03318	2.9
69.27969	1.3
69.28387	0.9
71.01250	37.8
72.01591	0.5
72.99181	2.8
73.02813	7.3
75.00741	0.8
78.95766	0.7
79.23767	0.2
81.03320	1.8
83.01252	4.3
83.04907	0.5
83.32725	0.2
85.02821	8.5
85.03351	0.4
85.99982	0.3
87.00745	9.3
87.04391	0.4
89.02312	31.4
90.02658	0.4
91.03883	0.6
93.03330	0.5
95.01260	2.9
97.02819	6.1
98.19550	0.2
99.00749	2.6
99.04391	0.5
101.02318	29.6
102.02657	0.6
103.00251	0.4
103.03858	0.3
109.02831	0.7
109.83416	0.2
111.00780	0.5
111.04421	1.0
112.01495	0.2
112.73592	0.2
113.02324	15.0
114.02647	0.4
115.03890	0.9
119.03385	10.4
121.02843	0.6
123.04401	0.5
124.01511	0.3
125.02332	12.8
126.02606	0.3
127.03890	0.3
131.03435	1.5
133.04944	1.3
135.04379	0.3
137.02339	0.5
139.03911	0.9
141.01813	0.7
141.05450	0.2
143.03395	5.9
149.04466	0.9
151.03951	0.3
152.99504	0.3
157.04929	0.3
161.04451	6.9
162.04866	0.3
163.03951	0.4
167.03413	0.9
169.05005	0.5
171.02977	0.3
179.05539	6.4
180.05943	0.4
185.04457	0.6
187.74808	0.2
196.78195	0.2
199.06058	0.5
203.05499	0.4
211.44310	0.2
217.07101	1.0
219.05051	0.5
221.06590	2.7
235.08185	14.4
236.08481	0.6
237.22293	0.5
245.06660	0.9
253.09259	3.1
255.23253	100.0
256.23602	6.5
263.07663	1.8
269.24802	0.6
277.09293	0.8
287.07761	3.3
304.08051	0.2
305.08734	4.0
306.09079	0.3
312.68021	0.2
323.09808	1.4
361.11322	0.5
379.12479	1.0
379.76563	0.2
397.13461	79.9
398.13846	6.1
415.14532	29.1
416.14868	2.2
571.28625	0.8
653.36896	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	653.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62794	0.3
57.03310	0.4
59.01244	1.0
60.88281	0.3
62.96268	0.5
69.48573	1.2
69.48997	1.3
71.01231	0.4
78.95773	100.0
80.96380	0.5
98.20551	0.3
101.02334	0.4
114.83402	0.3
123.04386	1.0
123.08045	1.0
139.11139	0.9
148.99979	4.4
151.11203	1.1
152.99483	0.6
153.12769	0.4
179.00867	0.4
180.59151	0.4
199.13330	2.5
205.15919	2.3
233.15578	0.4
245.19002	1.2
247.20583	1.1
255.23274	0.8
285.12708	3.5
289.18076	8.8
290.18341	0.8
291.19653	12.2
292.19962	1.2
307.19128	15.7
308.19424	1.2
309.20685	14.4
309.24261	0.8
310.21030	1.2
355.16739	2.1
356.17212	0.4
371.97711	0.3
385.17734	1.2
415.14224	0.5
417.12399	0.4
447.07794	0.4
447.13495	5.7
465.89313	0.4
563.48285	0.4
598.05200	0.4
617.55579	0.3
653.30066	41.7
654.30402	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	655.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.98693	1.6
64.98190	1.1
71.01251	2.0
78.95782	2.3
96.95905	1.9
101.00859	1.5
102.98742	1.3
119.95535	1.3
141.01588	60.3
142.01907	1.4
171.10268	1.4
199.33194	1.6
207.10220	1.8
209.11769	4.3
211.13277	1.7
275.06104	5.9
277.21558	2.6
339.00131	2.4
391.19553	2.5
395.37173	1.4
470.06799	1.3
501.89505	1.5
505.59824	1.3
535.27429	6.1
543.07196	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	655.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05279	2.1
50.50368	1.9
54.98629	2.3
55.01748	2.4
59.01249	100.0
61.98705	5.9
71.01249	18.0
71.58906	3.1
71.59288	2.9
72.99196	3.4
78.95776	9.9
85.02824	2.5
87.00745	5.3
89.02319	15.2
96.95905	2.4
97.02809	3.0
98.29358	2.4
101.02324	9.9
113.02307	6.4
119.03450	3.9
125.02349	5.5
130.20650	2.6
138.56116	2.1
141.01588	48.5
152.99506	8.2
161.04463	2.8
179.05582	3.3
191.05493	5.4
207.10172	2.9
209.11734	7.6
211.13286	4.0
235.08174	4.6
245.28334	2.7
255.23282	27.5
256.23578	20.5
257.23831	5.9
276.33228	2.9
277.21436	2.3
305.68500	2.5
316.28137	2.3
389.39423	2.3
391.19608	3.3
397.13248	12.4
398.13919	14.4
399.14038	14.9
416.14749	9.7
417.14914	4.6
535.27777	3.3
655.33081	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	655.37
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26214	0.3
57.03327	0.4
59.01244	3.6
61.98700	0.7
68.99704	0.4
69.03335	0.5
70.34814	0.6
70.35188	1.1
71.01257	2.5
73.02814	1.2
78.41185	0.4
80.02554	1.0
81.03331	1.2
83.01247	0.6
83.04894	3.9
85.02828	1.1
87.00732	0.9
88.69449	0.3
88.94383	0.3
89.02314	2.0
93.03310	0.8
95.01265	0.3
95.04897	0.6
96.95894	0.6
97.02807	0.4
97.06449	0.6
98.20512	0.3
99.04389	0.4
101.02294	2.1
109.02934	0.3
109.06492	0.5
111.04400	0.7
113.02321	1.4
113.05957	0.4
119.03364	0.4
121.06467	1.4
122.03658	0.5
123.04407	0.4
123.08015	0.8
125.05917	0.8
125.09629	1.8
135.04422	1.2
135.08054	0.7
136.05194	21.4
137.02406	0.4
137.05531	0.6
137.09592	0.5
143.03452	0.4
145.04936	0.3
147.08078	0.9
148.05177	0.7
149.05995	3.1
149.09634	0.4
150.06766	3.1
153.09009	0.4
155.03438	0.4
161.04428	0.5
162.06760	0.9
163.07536	1.1
163.11179	2.9
164.04675	0.4
164.08337	1.0
165.09119	29.5
165.12735	1.8
166.09439	1.1
169.12192	0.3
171.10175	5.5
172.10355	0.3
173.04503	0.4
181.12219	0.6
185.11732	0.6
191.05583	2.1
191.10626	0.9
203.77721	0.3
207.10199	0.4
209.11757	100.0
210.12128	6.2
210.14151	0.4
211.13330	0.8
223.13612	0.4
227.12811	6.6
228.13284	0.3
235.08183	1.4
247.13361	1.4
249.14909	0.4
253.09215	4.6
314.08008	0.3
321.20718	0.7
327.21744	17.6
328.22128	1.4
350.20901	1.4
401.23349	0.6
410.27106	0.3
419.24545	0.7
431.31955	0.4
445.20728	1.5
475.30676	4.9
476.31113	0.8
491.29703	0.5
492.30887	1.1
493.31689	24.9
494.32050	3.7
507.33490	0.9
535.32770	1.2
536.89819	0.4
541.56689	0.4
562.17133	0.4
619.68451	0.4
637.32318	2.4
655.36975	60.8
656.37286	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	655.3692
Annotation	Russelioside A
Peak:m/z	Relative Intensity
51.29436	0.5
57.03308	0.7
59.01244	4.2
60.87278	0.5
61.98692	1.1
68.99677	1.3
69.32589	5.1
71.01255	3.7
73.02805	1.2
78.95760	2.8
83.04883	1.2
85.02813	2.2
87.00723	1.3
89.02303	2.1
93.03339	1.0
95.01224	0.6
96.95870	1.6
98.19779	1.1
99.04353	0.5
101.02293	3.0
109.02785	0.7
111.04396	1.5
111.07992	0.8
113.02322	1.6
119.03374	1.0
120.99496	0.6
121.06464	2.6
122.03592	1.4
123.04405	0.6
123.07999	1.1
125.09647	3.1
127.03872	0.6
135.04398	2.5
135.07988	0.6
136.05193	36.3
137.02312	0.7
137.05586	1.2
137.09621	0.6
141.08994	0.8
147.08038	1.9
148.05153	1.4
149.05966	6.5
150.06750	5.2
152.99477	1.1
155.03375	1.6
162.06735	1.8
163.07532	1.6
164.04741	0.8
164.08321	1.7
165.09111	46.2
166.09373	1.7
171.10156	6.8
173.04506	1.3
191.05545	6.9
198.52898	0.5
207.10245	1.0
209.11723	9.1
211.13312	0.7
218.96533	0.6
227.12845	1.2
281.60593	0.8
306.18423	0.8
309.20532	0.9
318.04300	0.6
319.19080	0.7
321.20660	1.2
327.21729	29.6
328.22037	2.5
350.20859	2.1
391.21085	0.8
447.31250	0.8
475.30649	9.7
476.30954	1.4
491.30267	0.7
492.30856	3.1
493.31647	41.6
494.32010	5.6
507.33368	1.2
535.32703	1.7
572.24622	0.7
591.99097	0.6
655.36945	100.0
656.37201	19.1
661.43170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78724	2.2
57.03310	4.0
59.01232	3.1
63.53807	2.4
63.91611	2.2
96.95879	2.8
98.20533	7.6
113.09603	9.2
125.09604	7.0
127.11172	4.6
163.82703	2.5
171.10159	4.2
176.73915	2.7
186.93839	2.9
191.05496	3.5
192.75327	2.1
201.11247	43.8
209.11722	18.3
211.13251	3.0
213.11264	25.8
224.74600	2.3
225.11238	4.5
227.12938	2.6
272.34683	2.8
291.19513	5.7
309.20737	6.3
327.21738	100.0
328.22058	5.2
450.74661	2.3
655.40033	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	657.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07916	0.3
55.93531	0.4
59.01239	0.4
60.86210	0.3
60.91284	0.3
63.34050	0.3
69.47916	3.1
71.01276	1.7
73.02805	0.7
80.67072	0.3
81.03300	0.5
85.02808	1.7
92.92665	0.4
93.03330	0.7
95.01254	1.1
101.02319	1.2
107.58398	0.4
108.02045	53.4
109.02849	16.4
111.47214	0.3
113.02316	0.4
121.02835	1.0
123.00773	0.5
123.04369	0.5
133.02859	0.6
135.04395	0.6
135.05421	0.4
137.18561	0.4
141.58633	0.4
151.03896	1.3
152.01050	47.7
153.01840	19.8
163.03905	0.9
165.01819	1.5
170.54706	0.3
186.92046	0.4
191.05595	0.4
281.17825	0.3
299.61243	0.4
299.65402	0.4
315.07196	100.0
316.07529	5.9
473.63364	0.4
529.49408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.2
59.01242	2.4
61.98690	1.3
62.35166	0.8
66.05975	0.8
69.03320	1.2
70.34715	3.3
71.01255	3.0
85.02863	1.2
89.02268	0.8
93.03323	1.9
95.04892	1.1
96.95872	1.2
97.02837	4.2
101.02302	1.0
104.94707	0.8
106.15653	0.8
107.38873	0.8
109.06438	1.3
110.03636	0.8
110.95275	0.7
123.04392	2.4
123.08051	1.3
125.09657	1.3
137.09596	1.2
141.09102	1.0
151.11168	3.8
152.08362	0.8
171.10167	1.1
173.04520	1.4
175.11087	1.0
177.12634	1.0
185.11717	3.4
191.05556	4.4
193.85670	0.9
195.13869	3.0
199.13306	1.1
203.14319	1.2
204.71721	0.9
209.11819	4.2
211.13301	4.0
221.11719	4.4
227.12878	0.8
231.50549	0.8
239.12747	2.6
240.13496	0.9
247.20636	7.2
273.18594	1.4
277.07990	1.4
278.09262	8.1
279.09186	4.8
291.19638	100.0
292.19916	8.9
293.10474	1.0
295.08603	1.2
309.20682	99.7
310.21088	7.8
314.95325	0.8
331.12177	1.0
347.15439	43.6
348.15915	2.6
457.22836	1.8
461.22702	1.2
477.21631	2.1
501.21567	2.3
570.28552	3.7
588.29767	15.4
589.30096	1.9
639.35571	7.5
657.37640	8.0
658.37573	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	657.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19205	0.6
51.04483	0.7
56.10493	0.7
57.03307	1.0
59.01246	5.3
61.46434	0.7
61.98684	2.1
67.01765	0.8
69.28445	6.5
69.28847	0.9
71.01256	3.7
72.99167	1.2
74.73709	0.8
75.00773	0.6
75.62832	0.7
78.95740	0.9
79.95625	0.7
83.04921	1.1
85.02796	4.0
87.00738	2.7
88.98638	0.9
89.02309	2.7
93.03333	4.0
95.01316	0.6
96.95892	5.5
99.04398	0.9
101.02319	1.7
109.02847	1.3
109.06456	0.8
111.04390	1.4
113.02310	1.8
120.99545	1.3
121.06470	3.1
122.03628	1.3
125.02316	0.7
125.09596	1.2
133.02811	0.7
134.03635	0.8
135.04369	3.9
135.08055	0.8
136.05194	44.1
137.02354	1.2
137.05562	1.2
145.57576	0.6
147.08073	2.2
148.05043	0.9
149.05971	6.0
150.06776	6.4
151.07384	0.8
155.03395	1.6
162.06766	1.4
163.07494	1.8
164.04666	0.8
164.08315	2.5
165.01808	0.8
165.09117	55.5
166.09439	2.0
171.10136	2.0
173.04510	3.5
179.03456	1.1
191.05540	17.6
201.11093	0.7
209.11781	7.4
211.13341	3.9
211.84367	0.7
275.09119	0.7
301.12094	1.2
311.22250	2.0
313.03629	0.8
327.22159	1.2
329.23309	31.9
330.23639	2.8
459.31412	1.5
465.18988	0.8
477.32263	9.6
478.32602	1.2
494.32159	3.4
495.33264	40.5
496.33490	4.2
509.34732	0.9
537.34027	1.7
581.23700	0.8
657.38593	100.0
658.38794	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	659.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.0
57.03334	2.7
58.02467	0.9
58.91928	0.9
59.01250	15.4
61.67601	0.9
61.98711	1.9
67.01768	2.6
69.03337	2.0
70.33672	3.6
71.01256	16.3
72.51682	1.0
72.99206	1.7
73.02824	4.1
77.84711	1.0
79.38691	0.9
79.95602	7.7
80.02580	1.9
80.96400	10.6
81.03356	3.5
83.01266	3.0
83.04878	8.6
84.02008	1.2
85.02824	14.3
87.00751	9.3
89.02316	8.0
93.03334	23.3
94.97996	2.9
95.01289	1.7
95.04928	2.3
96.95896	5.1
97.02827	1.4
97.06467	6.8
98.19940	1.3
99.00766	1.7
101.02323	10.2
109.02846	2.0
109.06529	0.9
111.04412	3.2
113.02308	6.2
116.92774	1.2
119.03391	1.8
121.02898	1.1
125.02364	1.1
125.09681	1.1
127.03933	3.6
135.04373	2.1
135.08067	1.3
137.02364	2.6
148.99048	1.3
149.04625	0.9
149.09750	1.1
151.11192	20.0
152.11607	1.2
152.98546	2.3
155.03424	2.3
155.07071	1.3
159.04457	2.4
161.04546	3.3
163.11246	4.2
164.98573	3.0
165.12817	2.9
169.12251	100.0
170.12563	5.7
171.02939	1.1
171.10216	3.2
172.05194	1.6
173.04495	17.3
173.05969	2.7
175.07516	1.3
179.03500	1.8
179.05670	1.0
184.02461	1.2
185.11856	1.4
186.06819	1.7
187.07619	3.8
189.05594	2.0
189.09166	1.1
191.05537	97.5
192.05960	4.4
195.10286	3.5
197.11816	2.3
200.04796	1.6
201.05504	2.7
201.09204	1.5
203.07240	1.7
209.11763	83.3
210.12189	3.8
211.07506	1.3
211.13446	1.6
213.05417	1.4
213.11237	15.3
215.07043	6.0
225.00728	6.0
225.11317	1.3
227.03542	2.4
227.12842	12.0
229.08522	4.8
232.07422	2.3
233.06586	3.1
235.08383	2.5
253.04857	1.3
253.09267	6.0
255.06578	2.0
283.13623	2.3
326.15356	1.5
329.14258	5.1
343.15799	1.7
344.16440	2.0
370.14346	1.7
423.22168	1.8
431.19556	4.2
441.23157	2.7
449.20197	11.3
450.20474	1.4
467.20758	8.8
471.15350	16.5
471.21616	1.2
472.15997	1.4
485.22345	2.0
527.18591	1.5
599.34375	6.3
641.32300	2.2
659.33368	97.5
660.33759	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	661.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
59.01249	1.6
60.99177	1.3
67.01760	5.8
69.03326	1.6
69.93484	1.5
71.01241	2.5
73.02827	0.5
81.03310	0.9
83.01297	0.4
83.04898	1.2
85.02817	7.8
87.00756	6.4
93.03329	36.0
94.03638	0.7
99.00762	0.4
99.04370	0.7
101.02200	0.4
105.03308	0.9
107.04919	0.6
107.21701	0.4
108.02021	1.9
109.02852	2.4
111.00751	0.9
111.04386	4.4
117.85311	0.3
119.04961	0.4
121.02849	1.8
122.03613	0.6
124.01543	4.8
125.02337	1.8
126.03143	1.2
127.03898	2.7
129.01784	0.6
132.02058	0.9
133.02840	9.4
134.03636	5.0
135.04408	69.4
136.04819	1.5
137.02338	3.1
139.03845	0.4
149.05983	0.4
150.03098	2.2
151.03902	6.8
155.03403	1.8
160.01598	1.3
161.02348	7.0
161.05966	0.6
162.02985	0.5
163.03899	0.6
171.02904	0.5
173.04471	22.2
174.03111	0.6
175.03947	0.4
177.01848	2.6
178.02657	2.0
179.03413	15.3
180.04066	1.5
185.06012	0.5
189.05513	0.5
191.05527	100.0
192.05873	2.9
199.73347	0.4
200.04688	0.5
215.05510	3.1
269.11719	1.2
271.12936	0.4
287.12897	0.6
290.07910	0.9
297.11325	0.9
307.08282	3.0
308.08994	8.6
309.20743	1.3
351.07193	9.1
352.07944	8.8
353.08679	3.7
382.14056	0.5
399.14563	0.8
400.15253	1.6
407.22260	1.4
425.23386	4.3
433.20502	0.4
443.24387	3.6
451.21341	2.9
461.18799	0.5
469.22253	20.8
470.22571	2.8
487.23438	2.1
661.28601	37.9
662.28955	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45391	0.4
55.94449	0.5
57.03314	0.6
59.01241	1.4
60.10857	0.6
67.01749	1.6
69.03306	0.5
69.28442	4.9
71.01236	1.5
80.96399	0.6
81.03294	0.7
82.95795	0.4
83.04911	0.8
84.56937	0.5
85.02812	10.4
87.00757	2.7
87.14993	0.4
93.03333	13.7
93.10637	0.5
96.95815	0.5
97.54192	0.4
102.24861	0.4
105.03333	0.9
109.02831	1.4
111.04405	3.3
118.97364	0.4
121.02771	0.8
123.04427	0.5
124.01525	0.9
125.95934	0.4
127.03897	2.0
128.14662	0.5
132.02048	2.2
133.01846	0.7
133.02844	11.9
134.03673	4.0
135.04410	34.2
136.04813	0.5
137.02310	3.1
139.03859	0.6
150.03091	1.0
151.03886	1.1
155.03387	1.6
159.04500	0.5
160.01559	2.0
161.02345	15.1
171.02956	0.6
171.10179	0.5
172.05164	0.5
173.04465	18.5
173.05891	0.9
174.03030	1.5
174.04611	0.6
177.01814	3.6
178.02652	3.5
179.03395	10.4
180.04039	0.5
183.04495	0.7
185.06129	0.6
191.05527	100.0
192.05907	3.1
196.46339	0.5
197.04437	0.5
198.78078	0.5
200.04742	0.5
207.60081	0.5
211.04005	0.6
215.05504	1.5
227.10709	0.7
232.93498	0.6
269.11688	2.6
307.08212	0.6
308.08969	1.9
309.20718	4.5
316.37228	0.5
350.12625	0.5
351.07166	4.8
352.07910	2.1
353.08707	2.2
381.13287	1.0
382.14142	2.1
399.14505	2.9
400.15201	1.9
407.22440	0.7
410.29294	0.5
425.23239	4.8
426.23651	1.0
443.24283	8.6
451.21262	1.9
458.39313	0.8
469.22284	19.1
470.22647	3.0
471.15466	0.8
487.23212	5.0
661.28442	13.7
662.29370	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	661.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89714	0.3
57.03325	0.3
59.01252	1.2
60.99176	0.5
67.01758	2.0
69.03302	0.3
71.01235	1.4
71.22408	0.5
72.99179	0.5
73.02811	0.5
81.03339	0.6
83.04881	0.7
85.02819	9.5
87.00736	2.6
93.03328	12.8
95.04852	0.3
97.02865	0.3
105.03328	0.7
107.04926	0.5
109.02796	1.5
111.04405	2.4
113.02271	0.3
124.01543	0.5
124.24342	0.3
127.03895	1.8
132.02074	1.9
133.01825	0.6
133.02834	8.5
134.03636	2.8
135.04401	19.3
136.04758	0.4
137.02351	1.8
139.03831	0.3
150.03072	0.5
151.03882	1.0
155.03380	1.3
155.15451	0.3
158.03658	0.6
159.04404	0.3
160.01587	1.9
161.02344	15.1
162.02802	0.5
164.98965	0.3
171.02994	0.4
173.04465	10.7
173.05913	0.5
174.03195	1.7
174.04593	0.4
175.03799	0.3
177.01839	2.1
178.02609	1.9
179.03404	5.6
183.04454	0.6
187.03957	0.4
191.05530	100.0
192.05887	2.9
199.04085	0.4
199.09653	0.6
200.04614	0.6
200.24255	0.3
201.05661	0.3
209.06070	0.4
211.03943	0.5
213.05470	0.4
215.05576	1.3
227.03442	0.7
229.04828	0.3
241.10759	0.3
253.05048	0.9
269.11743	2.4
287.12836	0.4
308.08960	1.3
309.20642	2.4
351.07172	3.5
352.07870	1.3
353.08765	1.7
381.08823	0.3
381.13431	1.0
382.14136	1.7
399.14526	2.4
400.15204	1.7
407.22229	1.1
425.23386	4.9
439.07361	0.3
443.24335	6.4
444.25009	0.5
451.21133	1.6
469.22263	18.2
470.22574	2.4
487.23135	2.3
552.65192	0.3
645.87018	0.3
661.17468	0.6
661.28583	12.0
662.28821	2.0
687.36237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44346	0.4
58.72848	0.4
59.01244	3.3
67.01746	0.5
69.24428	1.1
69.24844	3.6
71.01251	3.2
73.02795	0.5
78.69793	0.4
81.03325	0.6
83.01243	0.8
83.04887	1.4
85.02813	11.6
87.00752	3.1
87.87265	0.4
89.02294	0.7
93.03322	5.2
96.95890	6.8
99.00734	0.6
101.02304	1.1
109.02821	0.7
111.04385	1.5
113.02322	0.5
127.03893	5.8
129.60530	0.5
137.71274	0.5
139.07536	1.0
145.58598	0.4
158.03690	0.6
159.04396	1.2
161.02328	0.6
165.05450	0.6
171.02881	1.0
171.10210	0.6
172.05246	1.2
173.04428	2.4
173.05846	0.9
173.31715	0.5
174.03200	0.9
183.04433	1.2
185.05998	0.9
187.03922	1.5
191.05524	100.0
192.05817	3.0
195.40161	0.4
197.11763	0.4
199.03885	2.2
200.04636	1.0
201.90921	0.4
203.06721	0.4
209.06157	0.5
211.03972	0.8
211.07599	0.5
212.04822	0.4
213.05522	1.0
215.12752	0.6
227.03427	2.7
227.10738	2.2
229.04907	0.5
240.04359	1.2
253.04950	2.0
253.08707	0.9
266.05072	0.5
267.10190	0.6
269.11673	0.9
331.10583	0.4
355.15390	0.5
359.14914	0.5
363.12408	0.6
381.13489	3.3
382.14087	3.5
399.14462	7.6
400.15182	10.0
401.15427	0.8
407.22156	1.2
425.23273	5.3
443.24213	2.8
451.21396	2.3
469.22275	35.9
470.22577	4.1
533.33600	0.7
617.38489	1.0
661.28546	2.6
661.36774	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	661.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.3
57.03320	0.9
59.01250	4.2
60.99170	0.4
61.98725	0.6
67.01746	0.9
69.03319	0.8
71.01250	4.3
71.58959	0.4
72.90602	0.3
72.99142	0.4
73.02815	1.1
78.95766	0.3
79.95598	0.5
81.03329	0.8
83.01260	0.3
83.04892	3.1
85.02818	14.3
86.03164	0.4
87.00748	3.6
89.02311	0.9
93.03333	8.0
95.01244	0.3
96.95885	23.0
97.02793	0.3
97.06466	0.3
99.00771	0.6
99.04408	0.7
101.02318	2.1
109.02847	1.8
111.00729	0.4
111.04408	2.4
113.02319	0.8
121.02863	0.4
121.06436	0.3
122.03596	0.3
123.04391	0.3
125.02342	0.5
125.09631	1.6
127.03902	8.5
127.11222	0.4
135.04407	0.9
137.02321	0.8
137.05959	0.3
137.09596	0.3
139.07544	1.5
141.44533	0.3
145.02795	0.4
146.03641	0.8
147.04404	0.4
149.82620	0.3
150.04163	0.3
155.03394	0.7
158.03592	0.5
159.03183	0.2
159.04428	1.6
160.05229	0.5
160.90334	0.3
161.02361	0.7
161.04465	0.5
165.05510	1.3
167.98228	0.3
171.02882	1.0
171.04297	0.4
171.10156	1.8
172.05235	2.0
173.04483	4.9
173.05948	0.8
174.03134	0.7
174.06616	0.4
175.03902	0.8
183.04373	0.6
184.05086	0.6
185.06023	1.8
185.11653	0.3
186.06831	0.7
187.03894	1.8
187.07542	0.3
187.09683	1.0
188.04659	1.1
189.05457	0.3
191.05531	100.0
192.05899	3.3
196.05219	0.6
197.06021	2.9
197.11736	1.4
198.06470	0.3
199.03951	5.3
199.07640	0.6
199.13330	0.5
200.04704	2.5
201.05403	0.6
201.11209	2.5
202.06271	2.4
203.03452	0.5
203.06955	0.5
204.04247	0.5
205.08568	0.5
209.06015	6.7
209.11742	1.2
210.06653	0.8
211.04018	0.6
211.07561	1.2
212.04643	0.5
213.05518	1.2
213.09229	0.3
213.11221	0.7
215.07056	0.3
215.12790	1.9
222.06711	0.5
223.05754	0.4
223.07558	2.0
223.09613	0.6
225.05540	0.6
225.09235	1.8
225.11195	0.5
227.03412	0.5
227.07112	0.9
227.10715	2.9
229.05002	0.6
235.07547	1.9
236.08263	0.4
237.09206	1.3
239.10695	0.7
241.04999	1.0
241.10637	2.2
243.14102	0.3
249.09155	1.5
250.09814	0.7
251.10640	0.8
252.11440	0.5
253.04971	0.8
253.09482	0.4
253.12277	4.5
254.12956	0.3
255.13934	0.8
263.10590	1.6
264.11432	0.6
268.11087	0.8
269.11838	2.9
270.12448	0.4
271.09824	1.0
271.13367	1.7
277.12314	2.1
291.13910	0.4
297.11316	4.8
298.11832	0.4
299.12839	0.7
305.11929	0.3
315.12405	0.4
326.15540	0.3
337.14340	1.0
389.21310	2.1
397.24109	0.8
400.15131	0.3
407.22247	14.8
408.22592	1.6
423.21735	0.5
425.23309	9.6
426.23663	1.2
433.20041	1.0
441.22623	0.3
443.24393	5.6
444.24500	0.3
451.21231	33.1
452.21564	3.6
455.33963	0.7
469.22269	22.7
470.22580	2.5
487.23071	0.5
533.33063	0.9
545.35779	0.3
564.11298	0.5
617.38898	2.2
643.24188	0.5
661.27441	2.6
661.39532	1.9
662.29083	0.5
662.87677	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	661.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.6
60.99166	1.1
67.01749	3.0
67.02077	0.7
70.65434	2.1
71.01266	2.1
80.99702	0.7
81.03320	1.2
83.04899	0.8
85.02811	8.0
87.00734	5.8
93.03334	27.3
107.04940	0.8
108.02054	1.9
109.02820	2.6
111.04398	4.2
121.02789	1.5
124.01563	2.7
125.02321	1.5
126.03104	1.3
127.03934	1.7
133.02861	7.1
134.03615	3.6
135.04408	62.9
136.04886	0.9
137.02315	2.2
139.03870	0.7
150.03113	2.3
151.03897	6.5
155.03416	1.4
161.02354	7.0
173.04486	14.4
173.05945	1.2
174.96614	0.8
177.01790	1.8
178.02612	1.2
179.03403	14.0
180.04199	1.4
191.05533	100.0
192.05852	1.6
215.05533	3.7
239.81175	0.7
269.11728	1.3
276.26630	0.7
282.48550	0.9
289.33798	0.7
290.08002	0.8
307.08319	3.5
308.09024	7.9
309.20447	0.9
351.07202	10.0
352.07935	8.3
353.08670	4.8
382.13980	1.4
399.14215	1.1
400.15048	1.5
407.22379	0.9
425.23035	4.6
435.37170	0.8
443.24371	2.3
451.21127	2.6
455.02444	0.7
469.22290	22.5
470.22614	2.7
487.23093	1.5
661.28607	30.3
662.29010	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	663.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.7
59.01244	1.5
60.22414	0.5
60.99164	1.5
67.01756	8.4
69.03321	1.6
69.54549	4.0
71.01250	3.9
81.03333	1.3
83.04885	1.6
85.02815	6.0
87.00749	6.3
93.03326	44.9
94.03667	1.4
95.04888	0.5
99.00756	0.8
99.04437	0.7
104.20058	0.5
105.03342	0.9
108.02048	2.8
109.02821	3.2
111.00771	0.8
111.04408	4.8
113.02321	0.6
121.02819	2.8
122.03612	1.5
123.04368	0.6
124.01552	6.6
125.02348	3.0
125.09615	0.6
126.03123	1.6
127.03896	1.3
129.01811	1.4
132.02039	1.4
133.02834	12.4
133.03804	0.8
134.03627	9.1
135.04405	100.0
136.04805	2.1
137.02309	5.5
139.03831	1.1
147.04381	0.6
148.05177	0.6
150.03079	4.4
151.03911	12.6
155.03410	2.6
160.01570	2.2
161.02325	4.2
163.03880	1.2
171.10182	0.7
173.04460	25.4
174.04720	0.7
175.03888	0.7
177.01855	3.5
178.02615	6.1
179.03407	24.2
180.04082	1.1
181.04837	0.7
191.05525	61.6
192.05896	2.3
201.11310	1.0
215.05536	3.7
228.02179	0.5
245.15424	0.9
271.13379	1.7
290.07938	1.0
299.12842	0.9
306.07367	0.8
307.08212	5.2
308.08960	15.5
309.09268	1.2
311.22260	1.8
351.07175	11.1
351.11404	0.8
352.07913	12.7
352.12036	0.8
353.08633	3.0
393.96539	0.5
409.23660	0.8
427.24878	4.3
428.25134	1.2
445.25940	3.7
453.22751	5.4
454.23651	0.9
471.23825	27.0
472.24170	3.7
489.25055	2.6
490.25879	0.7
642.69110	0.6
663.30176	36.8
664.30353	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	663.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32557	0.6
57.03321	0.7
59.01244	1.5
60.99162	1.5
67.01754	6.9
69.03335	1.4
70.04713	1.7
70.05113	1.1
71.01246	3.7
81.03320	1.6
83.04910	1.3
85.02815	5.1
87.00738	8.2
93.03329	44.1
94.03616	0.9
96.95877	0.5
97.02846	0.8
98.19876	1.2
99.00771	1.4
105.03341	1.3
108.02036	3.6
109.02834	3.6
111.00769	1.1
111.04390	5.3
115.03842	0.9
121.02829	1.9
122.03591	2.0
123.04384	1.0
124.01550	6.3
125.02338	3.7
125.09578	0.6
126.03113	2.2
127.03877	0.7
129.01833	0.6
132.02052	1.4
133.02835	10.7
134.03642	8.6
135.04404	100.0
136.04674	3.4
137.02319	4.3
139.03957	0.6
149.02289	0.9
150.03096	3.9
151.03909	11.7
151.07594	0.6
152.04294	0.7
153.01796	0.9
155.03416	1.8
160.01543	1.8
161.02341	4.2
162.03098	1.3
163.03885	0.6
171.10089	0.8
172.05229	0.7
173.04462	23.5
173.05968	1.2
174.03177	0.7
174.04749	0.6
177.01839	4.2
178.02640	3.5
179.03406	25.6
180.04027	1.7
181.04982	0.6
191.05525	65.2
192.05885	2.4
201.11200	1.1
215.03682	0.7
215.05515	3.8
229.12315	0.7
271.13419	2.5
290.07883	1.5
299.12805	1.5
306.07175	0.8
307.08200	7.0
308.08984	16.3
309.09311	1.1
311.22351	1.7
312.32587	0.6
323.07803	1.1
344.72626	0.6
351.07162	13.9
352.07950	15.2
353.08597	2.8
409.23917	1.8
427.24817	5.3
445.25955	3.6
453.22586	5.6
454.23328	1.2
471.23813	30.9
472.24017	3.4
489.25058	2.9
663.30151	43.5
664.30487	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	663.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87478	0.3
57.03310	0.8
59.01249	3.9
61.98700	0.5
67.01762	0.9
69.03315	0.4
70.45685	1.0
71.01250	3.1
72.99158	0.4
73.02808	0.8
75.00710	0.3
78.95808	0.3
81.03316	0.8
83.04891	0.7
85.02819	12.9
85.03345	0.7
86.03155	0.4
87.00735	3.0
89.02306	1.0
93.03333	5.8
94.03703	0.4
95.01269	0.6
96.95872	2.5
97.02855	0.5
98.95462	1.4
98.96064	0.3
99.00732	0.4
99.04375	0.6
99.92413	0.6
100.81400	0.3
101.02293	0.9
109.02838	3.5
110.46907	0.3
111.04398	1.6
113.02369	0.7
115.85136	0.3
115.91942	0.5
116.92768	1.3
122.03554	0.3
123.04454	0.4
125.09601	0.6
126.23707	0.3
127.03901	4.4
133.02834	0.5
134.03641	0.7
135.04393	0.9
137.02351	1.1
143.03342	0.4
145.02814	0.7
151.03862	0.3
155.03410	0.5
159.03049	0.4
159.04396	1.1
161.02257	0.4
163.00327	0.6
171.02982	0.8
171.04448	0.4
171.10216	1.7
172.05225	2.1
173.04459	3.0
173.05824	0.7
174.03117	0.9
175.03932	0.4
178.02608	0.6
183.04311	0.5
185.05989	1.4
187.03896	1.8
188.04594	0.4
190.99886	1.5
191.05530	100.0
192.00485	0.5
192.05850	3.8
193.01389	1.3
197.06062	0.6
199.03897	1.9
200.04758	0.4
201.05420	0.3
201.11168	0.3
202.06383	0.4
203.03360	0.4
204.04274	0.7
209.06065	1.1
209.11763	0.7
212.04695	0.5
213.05524	1.3
214.06337	0.4
215.12788	0.5
217.05084	0.3
219.06505	0.9
225.05536	0.4
227.03410	2.7
228.04190	0.6
229.04929	1.0
229.12311	6.2
230.12711	0.5
231.10193	1.1
240.04312	0.4
241.10667	0.7
243.06606	0.5
246.05345	0.3
251.10782	0.8
253.05074	2.5
255.10170	0.5
255.13849	0.9
256.99756	0.3
257.11856	0.5
260.08289	0.4
266.13150	0.5
267.06641	0.8
271.13318	1.3
273.07672	2.5
273.10886	0.5
274.07733	0.3
282.12625	0.4
283.13358	1.4
284.14063	0.4
299.12863	1.0
301.14700	0.6
301.18414	0.3
342.11002	2.9
343.11310	0.3
354.06027	2.7
381.13287	0.9
382.14374	0.5
391.22763	0.9
399.14468	1.8
400.15024	1.0
409.23798	3.6
410.24033	0.5
427.24817	7.2
428.25146	1.3
429.22885	0.5
443.28162	1.2
445.25888	2.4
453.16345	0.6
453.22794	10.0
454.23032	1.3
471.23849	51.7
472.24164	6.8
486.06354	0.7
663.30133	3.9
664.30731	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	663.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.7
58.70368	0.5
59.01242	4.3
61.98682	1.6
67.01747	1.0
69.03319	0.5
69.87997	2.8
71.01255	3.1
72.99178	0.5
73.02814	0.8
77.82622	0.5
78.95774	0.7
83.04896	0.8
85.02814	14.4
87.00722	3.0
89.02312	0.8
93.03329	9.2
96.95891	5.0
98.95471	1.7
99.04381	0.8
99.92464	0.6
101.02309	2.0
109.02840	1.5
111.04424	2.3
113.02318	1.1
115.91933	1.5
116.92736	2.1
125.09600	1.1
127.03896	3.3
135.04376	0.8
137.02335	0.9
146.03601	0.6
155.03381	1.0
158.03613	0.6
159.04404	2.0
160.05185	1.0
161.02290	1.1
168.58936	0.5
171.02922	1.2
171.10175	2.4
172.05231	3.0
173.04468	7.8
173.05896	0.5
174.03119	0.6
174.06721	0.7
175.03809	0.6
176.00987	0.9
179.03415	0.6
184.05156	0.7
185.05946	1.3
187.03951	2.5
187.07506	0.8
191.05525	100.0
192.05902	3.9
197.05977	1.9
199.03940	2.8
199.07495	0.7
200.04683	1.2
201.11194	1.1
202.06291	1.6
207.10022	0.6
209.05968	5.4
209.11682	1.1
210.06575	0.9
211.07571	1.3
213.05482	1.2
215.07240	0.5
215.12791	3.7
223.07539	3.4
225.05280	0.7
227.07155	1.2
229.12296	7.9
231.13751	0.7
237.09119	0.7
241.10703	1.1
243.13948	1.0
245.15398	1.0
251.10606	0.7
255.13838	5.2
256.14487	0.8
257.15421	1.0
270.12512	1.0
271.13406	4.9
272.13702	0.6
273.11322	4.1
273.14883	1.6
279.13809	1.7
293.15570	0.6
299.12802	4.8
337.14426	1.7
390.00235	0.8
391.22711	3.9
403.64621	0.5
409.23782	17.4
410.24304	2.6
427.24854	9.2
428.24893	1.2
435.21729	0.8
445.25906	10.5
446.26080	1.3
453.22809	31.6
454.23123	4.0
460.40338	0.5
471.23807	24.1
472.24268	3.9
486.05936	1.2
489.25125	1.7
603.18042	0.5
663.29559	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	665.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.4
57.03328	1.8
57.95768	0.9
58.00463	1.0
59.01249	28.9
59.18686	0.8
60.61116	0.9
65.11377	0.8
67.01765	1.1
69.03307	2.5
69.36536	8.6
71.01253	26.5
72.99169	2.8
73.02815	4.0
74.59573	1.0
81.03310	1.5
82.97534	0.9
83.01248	2.7
85.02817	8.1
87.00745	5.9
87.05473	1.3
89.02315	22.6
93.03335	4.7
95.01266	1.4
96.95868	5.9
97.02821	5.2
99.00764	1.7
101.02316	18.7
111.04404	1.6
113.02338	10.9
119.03391	5.5
121.02824	1.4
125.02331	5.4
135.04399	3.1
137.02382	1.9
139.03905	1.3
143.03368	2.8
149.02200	1.1
158.09309	1.2
161.04457	3.0
163.11185	1.4
169.09668	1.1
173.04449	3.6
179.03508	1.1
179.05522	3.1
191.05527	20.4
200.10266	2.1
201.11230	4.7
205.12268	1.3
209.11772	2.7
221.06610	2.9
223.13330	80.5
224.13664	3.4
226.11946	0.9
235.08174	2.4
249.14828	1.8
253.09166	2.2
267.12366	2.8
301.11548	0.9
305.08633	1.1
383.10825	0.9
393.31833	1.0
397.13492	21.5
415.14484	7.3
541.29639	5.9
585.32562	2.4
629.35144	1.6
665.26550	100.0
666.26880	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	665.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58464	1.9
57.03329	3.2
59.01249	77.2
67.01802	2.1
69.03341	3.8
71.01254	65.7
71.58675	3.7
72.99178	4.2
73.02814	11.3
73.72464	1.8
83.01266	9.1
85.02814	24.4
87.00748	9.6
89.02311	32.1
93.03348	5.7
95.01279	9.2
96.95893	9.2
97.02832	3.5
99.00764	7.1
101.02319	39.2
102.59042	2.2
113.02320	35.8
119.03381	10.0
125.02322	7.0
129.01735	2.6
135.04391	5.6
135.50073	1.9
137.02373	3.0
139.00298	2.9
143.03378	6.3
145.08583	4.5
155.03392	3.6
159.02957	3.5
161.04468	13.9
163.03918	3.0
173.04465	7.5
178.02628	2.9
179.03459	2.5
179.05505	3.5
191.05530	32.8
191.07159	3.7
192.05817	3.1
220.52504	2.2
222.27055	2.4
399.23862	6.9
417.25012	10.3
418.24744	2.6
436.30923	2.3
537.59015	2.6
561.29089	100.0
562.29456	10.5
579.30127	73.7
580.30627	8.8
621.31201	15.8
647.19159	2.3
680.88452	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	665.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.7
59.01242	6.3
67.61198	0.6
71.01246	6.0
71.19539	1.7
81.03324	0.9
83.04900	3.3
85.02810	2.3
87.00742	1.8
89.02304	3.8
93.03351	1.2
95.04874	1.4
96.95902	1.5
97.06461	11.0
101.02307	3.9
113.02318	1.9
119.03369	1.3
123.08056	7.2
125.09604	100.0
126.09912	3.7
143.10701	0.8
161.04391	1.1
163.11151	1.5
165.79897	0.7
169.08604	2.3
173.04536	1.0
173.06001	0.9
179.05496	0.9
187.09666	79.8
188.09956	3.6
191.05551	5.9
192.05865	1.1
194.06145	0.7
209.11751	24.7
210.12064	0.8
227.12848	1.5
253.09250	3.0
405.17569	4.2
423.13608	1.2
423.18735	16.3
424.18738	1.3
429.31812	0.7
495.99768	0.8
502.20059	0.8
578.89673	0.9
615.30212	3.7
633.31213	98.6
634.31445	14.7
665.33936	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	667.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	15.3
59.37891	0.5
62.17195	0.4
67.01756	1.0
68.99683	23.6
69.03323	3.5
69.36405	3.0
69.36824	1.1
71.01249	10.1
72.99170	0.8
73.02821	0.5
79.01768	0.6
79.74722	0.5
85.02800	2.3
87.00758	1.1
89.02312	13.4
95.01260	27.1
96.95883	0.6
99.00775	0.5
101.02316	64.5
102.02681	0.7
111.04372	0.5
113.02322	4.0
119.03368	5.4
123.00780	0.7
123.04401	14.7
124.04678	0.7
125.02351	0.5
127.03875	0.7
135.02872	0.8
143.03340	0.8
149.02325	0.5
154.28162	0.6
155.03397	100.0
156.03741	2.3
161.04495	0.9
179.05534	1.3
191.05507	1.4
199.56895	0.7
403.16165	6.6
435.15039	44.6
436.15436	3.4
455.15366	0.7
473.16406	1.2
487.18317	1.6
505.19244	18.1
506.19516	1.8
619.91992	0.5
635.21375	0.5
642.03912	0.5
667.24469	3.1
678.80090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79295	0.4
56.65153	0.3
58.00458	1.0
59.01245	12.4
67.01761	1.4
68.99684	21.9
69.03325	3.3
71.01251	11.9
71.01652	0.4
71.58880	0.4
72.99176	1.9
73.02782	0.5
79.01752	0.5
83.01255	0.6
85.02826	2.8
87.00733	0.9
87.48487	0.4
89.02316	11.1
93.03365	0.6
95.01258	27.7
96.01596	0.6
96.95883	1.7
97.02818	1.0
101.02319	44.2
107.87831	0.4
111.83117	0.4
113.02331	3.8
115.00268	5.4
116.23810	0.3
116.92747	2.0
117.01814	0.4
119.03387	4.9
121.02787	0.6
123.00805	0.7
123.04412	13.6
127.03889	1.1
133.01321	16.5
135.04451	0.7
143.03429	0.6
147.04326	0.4
149.02332	0.5
155.03401	100.0
156.03761	2.3
156.47285	0.4
161.04544	0.8
166.90996	0.4
173.04478	0.6
175.02438	0.4
179.05577	1.7
180.16336	0.4
185.00597	0.3
188.49527	0.3
191.05539	3.7
195.96353	0.5
234.44608	0.4
300.02521	0.5
306.97610	0.4
403.16251	6.1
435.15033	39.3
436.15378	2.6
452.79398	0.4
455.15527	0.5
473.16431	1.0
487.18167	0.9
505.19211	13.2
506.19702	1.0
667.24115	2.5
680.19226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00030	1.1
59.01249	21.3
64.68780	1.2
71.01249	11.1
71.11636	2.5
71.79100	1.1
73.02811	1.2
78.84332	1.1
79.02142	1.5
82.56304	1.1
82.91669	1.1
85.02823	2.1
85.06453	11.8
86.80095	1.2
87.65066	1.0
89.02308	10.5
94.21023	1.0
96.95885	2.6
101.02314	7.6
108.55557	1.2
113.02335	3.8
113.05957	2.3
115.07526	1.4
119.03425	5.7
131.07034	40.2
134.56302	1.0
141.00865	1.0
152.04697	4.2
196.03764	1.4
211.06032	3.9
293.12411	100.0
294.12820	4.3
373.11316	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	667.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75544	0.2
58.00460	0.4
59.01248	6.5
67.01758	0.8
68.99685	10.6
69.03316	1.6
69.53834	1.7
71.01250	5.6
72.99183	0.8
73.02823	0.3
74.14204	0.2
83.01245	0.5
85.02816	1.3
85.66399	0.2
87.00740	2.7
89.02313	4.1
93.03342	0.9
95.01257	14.9
96.01607	0.4
96.95871	0.3
97.02843	0.6
99.00741	0.4
101.02318	19.8
101.71178	0.2
102.02618	0.3
105.01804	0.5
107.68436	0.2
109.02850	0.3
111.00766	0.5
112.82701	0.2
113.02333	1.7
119.03395	1.9
119.04919	0.8
121.02872	1.7
123.00737	0.4
123.04400	9.7
123.08055	0.2
127.03915	0.4
133.02846	1.1
134.03622	39.2
135.03004	0.3
135.03874	1.2
137.02325	7.7
139.03891	2.6
143.03467	0.3
147.04439	0.3
149.02325	0.9
149.05975	15.5
150.03133	1.1
150.06305	0.6
150.88670	0.2
151.03954	0.3
155.03394	49.0
156.03754	1.7
161.04475	0.4
164.07103	0.2
165.01877	0.5
168.88217	0.2
173.04529	0.2
176.01089	0.3
178.02623	35.0
179.02995	1.0
179.05527	0.6
191.03384	0.5
191.05528	1.5
193.04976	100.0
194.05312	5.2
206.08241	0.3
229.04198	0.3
237.14958	0.3
251.01244	0.2
281.06638	38.9
282.06964	2.4
326.98438	0.2
397.13300	0.3
403.16187	2.0
435.15027	12.0
436.15298	1.0
487.18042	0.6
505.19260	5.5
506.19333	0.7
577.19855	0.5
667.24176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.4
55.59510	1.7
57.03316	3.2
58.00463	3.5
59.01245	46.7
61.98672	1.6
64.53960	1.4
69.03313	5.1
70.93124	1.4
71.01247	50.5
72.01590	1.6
72.99180	4.8
73.02833	7.4
75.00726	2.5
77.96557	1.3
78.95759	1.4
83.01266	4.7
83.04924	2.4
85.02812	14.4
87.00735	10.3
88.98712	2.0
89.02314	31.3
93.03348	8.6
95.01247	3.1
96.95878	12.4
97.02830	6.4
97.06455	2.7
99.00764	2.5
101.02319	34.9
103.72524	1.5
109.02856	3.8
113.02317	14.5
114.76690	1.4
119.03395	11.7
121.02795	1.6
123.08062	2.0
125.02342	10.9
125.09612	22.6
126.09995	1.5
130.05014	1.5
131.03412	2.2
135.04385	3.9
135.08063	2.7
137.02353	2.0
137.05965	1.6
143.03423	5.8
147.57991	1.4
149.04398	1.6
161.04446	6.5
171.10225	3.5
173.04427	6.3
173.05786	1.7
179.03612	1.4
179.05487	5.5
180.06966	1.4
187.09654	15.5
191.05511	32.3
191.07137	2.8
201.05444	1.5
201.11240	2.5
207.10179	2.2
209.11761	95.4
210.12163	6.0
215.07133	1.9
225.11172	2.4
235.08183	11.4
253.09222	2.3
287.07718	2.5
305.08725	4.5
394.28888	1.7
397.13474	100.0
398.13681	6.0
409.71277	1.6
411.50201	1.4
415.08984	2.4
415.14569	32.1
416.14694	1.7
423.18658	6.7
469.20547	2.5
477.30615	3.5
605.28088	5.5
607.26501	3.9
629.39075	1.9
631.29761	2.9
667.39618	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	669.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13934	1.6
53.68269	1.5
55.54617	1.7
57.03307	4.9
59.00986	2.3
59.01252	32.7
61.98683	1.9
62.48252	1.6
64.42987	1.8
69.03326	3.2
69.88011	4.3
69.88405	4.5
71.01250	24.7
72.99188	3.6
73.02819	4.2
78.95759	3.6
80.02531	2.1
81.03313	7.5
81.04874	1.4
83.01257	5.1
83.04893	10.3
85.02805	8.8
87.00732	8.6
89.02309	11.9
93.03320	6.6
95.01251	3.7
95.04884	4.1
96.95879	19.4
97.02815	10.1
97.06452	6.8
99.00729	3.0
101.02303	18.4
107.04893	6.0
108.02055	4.3
108.26302	1.6
109.02815	6.6
109.06467	45.1
110.03621	2.3
111.04379	5.9
111.08012	1.7
113.02312	11.2
113.09592	2.0
119.03376	3.3
121.02849	2.4
121.06464	6.3
123.04371	3.7
123.08007	6.6
125.02323	3.0
125.09608	30.0
133.06464	2.4
135.04387	3.1
135.08037	9.1
136.05185	3.1
142.02611	4.4
145.04973	2.2
149.05978	2.1
152.99513	2.6
159.04326	3.8
161.04439	3.9
161.09575	6.8
163.11195	29.3
165.12750	3.1
171.10146	7.2
173.04507	2.7
173.05913	2.2
175.11179	5.3
177.09102	2.2
179.10686	6.5
181.12279	10.6
185.11707	3.7
187.09679	14.9
189.09158	4.2
189.12769	2.3
191.03996	2.3
191.05508	11.5
191.10620	5.0
191.14264	2.4
192.05763	2.1
197.11754	3.0
201.11186	4.9
203.10661	3.7
205.08591	5.6
205.12311	2.2
207.10191	91.8
208.10480	4.9
209.11751	54.3
210.12038	2.1
213.11165	3.9
217.12227	2.7
219.10178	5.6
219.13861	3.1
221.11641	2.9
223.09714	14.2
223.13225	4.2
225.11264	58.9
227.12732	2.4
229.12202	2.7
235.08116	5.9
235.13362	4.3
237.11246	7.6
243.17520	1.7
245.11757	5.0
247.09576	1.7
251.12717	2.4
253.09256	11.5
255.23232	3.5
261.11249	3.5
263.08334	2.0
263.12894	10.3
281.13971	2.4
327.22235	12.1
339.47025	1.8
343.18982	2.5
345.20718	3.2
353.17459	3.1
361.19931	2.7
369.20572	3.8
370.20944	1.6
371.18353	4.1
371.22256	5.8
379.19919	2.0
387.21613	5.9
389.19553	7.0
397.20053	9.2
405.17627	3.5
405.22638	2.8
415.21240	26.5
416.22064	1.9
433.22458	8.1
461.20236	15.3
477.22333	2.7
516.13409	2.1
597.29291	4.6
607.27576	21.5
608.27771	2.5
623.30646	5.0
623.59253	2.1
625.28638	43.2
626.29059	7.7
633.28815	12.6
634.29578	3.2
651.30145	100.0
652.30554	17.5
669.31116	59.0
670.31390	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	669.3856
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
55.01735	0.3
55.53423	0.3
57.03300	0.4
59.01258	2.0
69.43128	3.0
71.01254	1.7
72.99197	0.4
73.02823	0.9
85.02831	1.1
87.00758	0.5
89.02334	1.1
92.81591	0.3
96.95878	0.8
101.02310	1.3
108.98036	0.3
109.06467	1.0
113.02332	1.2
113.05996	0.4
116.43587	0.4
121.06478	0.4
123.04424	0.5
123.08012	0.9
125.09594	2.3
128.03409	0.5
132.19954	0.4
135.08061	1.2
136.05151	0.3
137.09656	0.5
149.05983	2.3
150.06761	59.2
151.07079	2.0
155.10657	0.9
161.09607	1.1
162.06772	0.9
163.07550	7.2
163.11197	0.4
164.08334	15.3
165.08812	0.4
167.78658	0.4
171.10187	5.0
176.08241	0.5
177.09090	1.3
178.09850	1.0
179.10687	33.1
180.10980	0.9
185.11682	0.7
191.05518	2.0
200.10516	0.5
207.10217	1.7
208.10570	0.4
209.11752	1.5
223.09630	0.5
225.11208	1.8
259.36996	0.4
297.78696	0.5
306.07544	0.5
309.20789	0.5
320.20074	0.8
325.23849	0.5
327.21741	24.0
328.22067	2.2
333.20599	0.4
335.22247	0.8
363.21799	1.2
364.22571	1.9
430.30997	0.5
474.30338	0.6
489.32065	5.8
490.32452	0.9
492.30865	2.1
506.32419	6.1
507.33206	36.4
508.33560	5.4
521.35223	0.9
549.34442	1.0
651.30243	1.2
669.38568	100.0
670.38898	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	669.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82809	0.4
52.30898	0.5
52.43821	0.5
55.01773	0.5
57.03304	0.6
59.01253	3.4
61.14277	0.5
67.01757	0.5
69.03332	0.7
69.67481	3.6
71.01243	2.2
71.51768	0.6
73.02805	1.0
76.56441	0.5
81.03287	0.5
83.04886	0.6
85.02827	1.7
89.02305	1.1
93.03343	0.7
96.95850	1.1
97.02808	0.7
98.20564	0.5
101.02335	1.3
109.02826	0.5
109.06476	0.6
109.77303	0.4
111.04403	1.0
111.70218	0.5
113.02351	1.1
119.03302	0.7
123.08073	1.0
123.90701	0.5
125.09586	3.0
135.04343	0.7
135.08058	0.8
136.05188	0.8
137.09615	1.0
149.05986	2.3
150.06763	57.1
151.07037	2.7
153.05463	0.9
161.02396	0.6
161.04453	1.0
161.09604	1.0
162.06795	1.4
163.03853	0.7
163.07549	8.9
163.11192	1.2
164.07001	1.0
164.08336	15.9
164.09723	0.8
165.08757	0.8
171.10168	5.1
176.04762	0.5
176.08356	0.9
177.09077	1.3
178.09866	1.2
179.10695	33.3
180.11028	1.7
191.05539	2.8
191.07074	1.3
207.10219	2.3
209.11801	1.5
223.09799	0.8
225.05829	1.9
225.11281	2.3
233.77113	0.5
253.09341	0.6
302.18558	0.6
313.07486	1.0
325.23877	0.7
327.21753	23.7
328.22229	2.4
335.22534	0.6
363.21854	0.9
364.22632	1.7
373.98645	0.6
415.20792	0.8
443.19330	0.5
489.32257	5.7
490.32568	1.1
492.31073	1.3
506.32465	6.0
507.33206	38.1
508.33438	4.6
521.34741	1.2
531.35730	0.5
549.34375	1.0
651.30304	1.5
669.38599	100.0
670.38849	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	671.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	0.6
57.03360	1.3
59.01307	10.8
61.98715	2.8
62.96263	0.5
68.99722	0.5
69.03378	0.9
71.01317	7.8
71.08724	1.6
72.99232	1.0
73.02877	1.9
78.95821	0.6
80.02613	2.1
81.03386	2.2
83.01287	1.3
83.04893	4.7
84.02100	1.0
85.02823	3.4
87.00806	2.4
89.02307	4.1
93.03345	2.7
95.01289	0.9
95.04976	2.1
96.95947	1.0
97.02829	4.5
97.06544	0.9
99.00751	3.9
101.02334	6.0
109.06468	14.5
110.03692	1.2
110.06886	0.7
111.04424	1.4
111.08172	0.7
113.02351	3.1
119.03397	1.4
121.06551	1.0
123.08117	1.2
125.02350	0.9
125.06017	1.0
125.09636	4.3
134.03651	0.6
135.04460	1.0
135.08006	2.6
136.05263	1.0
137.06059	0.7
139.07605	0.7
142.02690	1.5
145.05042	1.3
149.05984	0.8
149.09682	0.7
151.07578	1.6
161.04498	1.9
161.09694	1.2
163.11195	13.6
164.97635	0.6
165.12775	1.9
168.75163	0.5
171.10155	5.0
173.04393	1.1
177.09200	0.8
179.05582	0.7
179.10776	0.8
181.12253	6.1
185.11760	2.1
189.09087	1.2
191.05540	7.6
191.10640	1.3
191.39488	0.5
192.05994	0.5
197.11856	0.8
199.13303	0.8
201.11203	1.8
207.10193	46.3
208.10583	2.5
209.11765	100.0
210.12070	5.1
221.11731	0.9
221.15327	0.6
222.45615	0.7
223.13313	1.6
225.11266	45.2
226.11661	3.3
227.12830	15.4
228.13193	1.0
229.92041	0.6
231.10112	0.6
235.08186	3.4
235.13214	0.8
238.45143	0.6
239.12869	0.6
243.12196	3.0
245.11780	1.0
247.13287	1.1
249.11176	0.9
251.12527	0.6
253.09239	8.2
263.12781	1.3
265.14417	0.8
299.14938	0.9
373.23599	2.1
381.20322	0.6
391.24408	1.0
399.21780	4.0
417.22623	4.2
435.23486	1.6
443.18613	2.4
445.20734	1.1
461.20279	10.1
462.20410	1.3
609.32013	0.8
625.30701	0.7
629.38599	0.9
635.30811	6.3
636.31000	1.2
653.31659	14.5
654.30627	2.0
670.38409	0.9
671.31635	18.9
672.32843	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	671.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19097	0.5
55.01765	0.8
57.03336	0.8
59.01247	10.0
70.03789	1.4
70.04192	1.4
71.01251	6.5
71.04883	0.6
73.02818	1.3
80.02557	2.4
81.03327	3.7
83.01292	0.8
83.04890	7.4
84.02036	1.6
85.02831	2.4
87.00754	1.6
87.32906	0.5
89.02309	3.3
90.67860	0.6
93.03339	2.3
95.04915	1.7
97.02822	5.6
97.06464	1.1
98.20647	0.5
99.00785	1.0
101.02328	4.9
106.04135	0.6
107.04939	0.8
109.06468	22.7
110.03633	2.1
110.06788	0.9
111.04390	1.0
113.02308	3.3
119.03365	0.8
121.06505	2.1
123.08047	0.9
125.02367	0.7
125.09606	2.5
128.64732	0.6
135.08049	3.7
136.05179	1.0
142.02634	1.3
143.03430	0.6
161.04460	1.5
161.09636	1.6
163.11197	17.7
164.11557	0.9
165.09128	0.7
165.12798	2.6
171.10181	4.5
179.05589	0.6
181.12300	4.0
185.11720	2.0
187.09618	1.0
189.09135	1.8
191.05611	1.3
191.10680	1.6
207.10201	63.0
208.10547	3.1
209.11766	100.0
210.12074	4.9
217.12360	0.8
221.11845	1.3
223.13316	0.8
225.11261	32.8
226.11671	2.1
227.12859	12.2
231.10213	1.2
235.08182	3.2
235.13274	1.2
243.12469	1.0
245.11835	0.6
247.13405	1.5
249.11264	1.7
251.12955	0.6
253.09238	9.5
255.11327	0.6
259.23563	0.6
263.12845	1.5
265.14511	1.1
299.14981	1.2
355.22849	0.8
373.23837	0.8
375.74307	0.6
389.23483	0.7
399.21689	5.7
400.22360	0.8
417.22714	6.2
418.22919	0.8
435.23880	0.7
443.19037	3.2
461.20255	11.7
462.20712	1.2
463.21225	0.7
485.19757	0.7
499.21454	0.7
609.28760	0.7
627.29639	0.9
635.30682	9.8
636.30682	1.9
653.31702	12.4
654.31738	1.5
656.67993	0.6
671.32629	23.0
672.32794	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	671.328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94556	0.5
57.03333	1.3
59.01249	10.7
68.95815	0.5
69.03365	0.7
70.03307	2.6
71.01254	7.9
71.04897	0.7
72.99187	0.9
73.02838	1.9
78.95799	0.6
80.02560	2.1
81.03329	3.5
83.01272	1.2
83.04897	8.1
84.02058	1.3
85.02831	2.9
87.00780	1.6
89.02316	3.5
93.03323	2.6
95.01283	1.2
95.04924	1.7
96.95904	1.1
97.02825	5.8
97.06496	1.4
98.19812	0.5
99.00769	1.5
101.02332	5.7
106.04115	0.6
107.04915	0.9
109.06473	21.9
110.03650	1.8
110.06842	0.9
110.73010	0.6
111.04424	1.6
113.02335	3.8
118.88378	0.5
119.03424	1.3
121.06494	2.1
123.04417	0.7
123.08078	1.1
125.06030	0.7
125.09607	3.2
135.08064	4.4
136.05228	1.3
142.02643	1.3
143.03342	0.7
149.09615	0.6
151.11169	0.8
161.04468	2.1
161.09607	1.9
162.06807	1.5
163.11186	20.0
163.12482	1.1
165.09134	0.8
165.12784	2.8
171.10139	4.4
173.04445	1.3
179.05573	0.8
179.10719	0.7
181.12256	5.2
185.11765	3.2
187.09663	0.7
189.09181	2.1
191.05547	4.0
191.10704	2.2
193.08424	0.6
197.11760	0.9
199.13269	0.6
201.11197	2.6
205.12399	0.6
207.10196	62.3
208.10558	3.4
209.11757	100.0
210.12083	4.4
211.13284	0.9
217.12346	0.9
221.11650	0.8
223.09427	1.0
223.13304	1.0
225.11264	39.1
226.11641	1.7
227.12814	15.5
231.10185	1.3
235.08113	3.8
235.13240	1.2
243.12390	1.0
245.11934	1.0
247.13388	1.3
249.11267	1.9
251.12833	0.7
253.09271	11.7
263.12866	1.2
265.14545	1.0
281.13885	1.1
299.14932	1.1
310.67670	0.5
325.20117	1.9
329.17297	1.1
347.18161	0.5
351.31461	0.6
373.23834	1.1
381.20554	1.1
399.21643	5.6
407.24268	0.9
417.22849	5.0
443.19092	4.0
461.14337	0.9
461.20248	11.3
462.20596	0.9
491.27548	0.7
535.86957	0.7
609.28894	0.7
625.31964	1.1
635.30609	9.3
636.31171	1.6
653.31787	13.8
654.31885	2.0
671.32471	27.9
672.33215	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	671.393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78917	1.8
51.09978	1.7
54.33107	2.2
54.97344	2.3
56.12958	1.8
57.03311	2.5
59.01239	14.4
61.98698	3.9
70.45263	4.0
70.45647	3.9
71.01254	11.9
78.95768	4.4
81.03336	5.1
83.04889	5.7
85.02812	4.6
86.65068	1.8
87.00736	4.1
89.02299	6.8
92.92692	2.6
93.03323	5.5
95.04904	2.2
96.95884	5.0
97.02815	5.9
99.00755	2.8
101.02297	6.1
105.87450	2.2
109.06463	18.1
111.04404	3.3
113.02293	4.7
127.90630	2.0
128.72937	2.1
133.99078	2.0
135.08041	5.2
152.99460	3.0
161.09439	3.0
163.11180	15.6
169.50597	2.1
171.10107	6.0
181.12183	3.0
191.05496	14.7
201.11243	4.9
207.10204	50.4
209.11754	100.0
210.12090	8.5
223.13385	3.1
225.11252	49.0
227.12805	14.7
235.08070	2.9
253.09164	10.2
272.76239	2.3
309.20737	2.9
399.21564	4.4
417.22437	5.9
443.18954	4.1
461.20276	11.6
479.82431	2.3
635.30804	5.4
648.05444	2.3
653.31812	11.8
671.31122	13.6
671.39349	34.7
672.40405	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	671.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03329	2.0
59.01249	17.8
67.01777	1.1
68.99693	1.4
69.03319	1.6
71.01249	13.1
71.58842	1.2
71.59227	1.4
72.01690	1.0
73.02835	2.5
75.00727	0.9
76.65340	1.0
80.02553	2.1
81.03342	2.5
83.01249	2.6
83.04887	5.3
84.02062	1.2
85.02818	6.1
87.00776	3.6
89.02318	8.9
93.02849	1.1
93.03314	6.3
95.01293	1.8
95.04929	2.2
96.95901	3.6
97.02863	4.3
97.06464	2.7
98.80180	1.0
99.00788	2.5
100.15838	1.0
101.02312	11.7
109.02852	1.6
109.06468	14.5
111.04442	2.8
113.01703	0.9
113.02319	5.4
117.26939	1.0
119.03414	2.9
121.02892	1.2
121.06501	1.9
123.04501	1.2
123.08087	1.6
125.05983	1.7
125.09653	3.5
133.02827	1.5
135.04439	2.1
135.08038	4.8
136.05223	1.3
137.09683	1.4
149.06020	3.9
150.06770	52.0
151.07475	3.1
155.10727	4.6
157.08682	1.6
161.04501	3.0
161.09634	1.6
162.06776	1.1
163.07544	9.6
163.11186	10.8
163.12334	1.2
164.08330	11.3
164.11601	1.2
165.12750	2.3
167.07077	1.7
171.10237	4.5
173.04504	5.6
177.09149	1.4
178.10033	1.3
179.03514	1.2
179.10706	27.2
179.12175	1.9
181.12402	3.1
185.11873	1.7
189.09233	2.1
191.05551	29.0
192.05902	1.4
201.11298	2.1
207.10205	44.5
208.10658	2.9
209.11763	80.3
210.12111	5.6
225.11263	37.3
226.11685	2.7
227.12837	13.0
231.10214	1.9
235.08260	3.1
235.13376	1.7
243.12553	1.5
247.13280	1.4
253.09184	6.3
285.18631	1.2
299.22501	1.3
309.40900	1.0
329.23331	16.7
330.23978	1.4
399.21848	4.6
417.22861	4.6
443.19614	3.5
449.20428	2.2
461.20212	11.6
473.26697	1.2
473.40234	1.1
491.33865	6.1
494.32846	2.4
508.33957	8.9
509.34851	30.6
510.35489	4.3
551.36542	1.5
625.33105	1.3
635.30316	6.5
653.31354	10.4
654.32007	2.0
671.40637	100.0
672.41296	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	671.4012
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03294	0.7
59.01244	4.7
61.49407	0.4
66.93491	0.5
69.03305	0.9
71.01236	3.7
73.02819	1.3
74.76673	0.5
83.04899	1.0
84.02084	0.7
85.02821	2.5
87.00751	0.6
89.02332	1.8
93.03334	2.0
95.01280	1.1
95.04882	0.7
97.02814	1.0
99.00777	0.6
101.02317	2.7
109.06476	3.4
111.04407	0.8
113.02329	1.7
119.03371	0.7
121.06455	0.6
123.08045	0.7
125.09617	0.7
135.04393	1.1
135.08034	1.4
136.05220	0.9
137.09660	0.8
143.03276	0.5
149.05989	3.8
150.06761	64.5
151.07175	2.2
161.04517	0.5
161.09595	1.3
162.06755	0.9
163.07559	9.4
163.11171	3.3
164.08336	17.4
165.08876	0.6
165.12836	0.7
171.10194	2.0
173.04498	1.2
176.08302	0.5
177.09074	1.3
178.09914	1.3
179.10689	35.0
180.11031	1.1
181.12308	0.7
185.11598	0.6
189.09129	0.8
191.05528	6.5
201.11298	0.8
207.10207	10.4
209.11774	17.8
210.12053	1.0
225.11267	10.3
226.11632	1.0
227.12849	3.0
235.08359	0.7
253.09279	2.6
256.11661	0.6
311.22379	1.0
327.21564	1.0
327.25266	1.3
329.23315	26.1
329.27231	1.3
330.23666	1.9
399.22177	0.6
417.22736	1.1
427.93036	0.5
443.18600	0.6
461.20282	2.3
491.33743	7.1
492.34183	0.9
494.32516	2.9
508.34048	8.4
509.34778	38.2
510.35172	4.3
523.36731	1.0
545.02411	0.6
551.35461	1.0
568.11560	0.6
625.31738	0.7
627.37616	2.1
635.31006	1.9
653.31201	1.1
671.40222	100.0
672.40637	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	671.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03329	2.0
59.01249	17.8
67.01777	1.1
68.99693	1.4
69.03319	1.6
71.01249	13.1
71.58842	1.2
71.59227	1.4
72.01690	1.0
73.02835	2.5
75.00727	0.9
76.65340	1.0
80.02553	2.1
81.03342	2.5
83.01249	2.6
83.04887	5.3
84.02062	1.2
85.02818	6.1
87.00776	3.6
89.02318	8.9
93.02849	1.1
93.03314	6.3
95.01293	1.8
95.04929	2.2
96.95901	3.6
97.02863	4.3
97.06464	2.7
98.80180	1.0
99.00788	2.5
100.15838	1.0
101.02312	11.7
109.02852	1.6
109.06468	14.5
111.04442	2.8
113.01703	0.9
113.02319	5.4
117.26939	1.0
119.03414	2.9
121.02892	1.2
121.06501	1.9
123.04501	1.2
123.08087	1.6
125.05983	1.7
125.09653	3.5
133.02827	1.5
135.04439	2.1
135.08038	4.8
136.05223	1.3
137.09683	1.4
149.06020	3.9
150.06770	52.0
151.07475	3.1
155.10727	4.6
157.08682	1.6
161.04501	3.0
161.09634	1.6
162.06776	1.1
163.07544	9.6
163.11186	10.8
163.12334	1.2
164.08330	11.3
164.11601	1.2
165.12750	2.3
167.07077	1.7
171.10237	4.5
173.04504	5.6
177.09149	1.4
178.10033	1.3
179.03514	1.2
179.10706	27.2
179.12175	1.9
181.12402	3.1
185.11873	1.7
189.09233	2.1
191.05551	29.0
192.05902	1.4
201.11298	2.1
207.10205	44.5
208.10658	2.9
209.11763	80.3
210.12111	5.6
225.11263	37.3
226.11685	2.7
227.12837	13.0
231.10214	1.9
235.08260	3.1
235.13376	1.7
243.12553	1.5
247.13280	1.4
253.09184	6.3
285.18631	1.2
299.22501	1.3
309.40900	1.0
329.23331	16.7
330.23978	1.4
399.21848	4.6
417.22861	4.6
443.19614	3.5
449.20428	2.2
461.20212	11.6
473.26697	1.2
473.40234	1.1
491.33865	6.1
494.32846	2.4
508.33957	8.9
509.34851	30.6
510.35489	4.3
551.36542	1.5
625.33105	1.3
635.30316	6.5
653.31354	10.4
654.32007	2.0
671.40637	100.0
672.41296	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	673.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	10.3
61.98704	6.7
63.57177	3.2
70.09555	13.1
71.01264	12.0
74.83308	3.1
78.95780	12.9
83.04905	9.7
84.50903	3.5
85.02826	4.4
87.00734	5.5
93.03347	11.3
96.60221	3.3
96.95895	7.6
97.02804	4.7
101.02297	4.4
106.29456	3.5
109.06480	7.8
110.06793	3.5
113.02363	5.3
114.81658	3.5
135.04507	4.2
135.08076	4.8
141.44629	3.4
152.99472	7.8
163.11217	6.6
171.10197	16.1
173.04486	8.7
190.91385	4.3
191.05582	27.9
193.74208	3.3
197.11656	4.8
199.13354	5.0
201.11311	4.2
207.10204	13.3
208.10577	4.9
209.11775	100.0
210.12111	10.2
211.13385	8.5
223.13280	7.3
225.11240	14.2
226.11548	7.5
227.12726	18.5
253.09129	4.9
363.12521	10.5
463.17911	4.7
526.67572	4.0
655.32410	4.3
672.33374	5.3
673.33539	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	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.2
57.03313	0.3
58.00455	0.2
59.01249	2.1
69.03323	0.2
69.54743	1.0
70.48634	0.1
71.01255	1.8
71.04901	0.2
72.58931	0.1
72.99182	0.2
73.02805	0.3
75.93729	0.1
80.02540	0.9
81.03323	0.9
83.01235	0.3
83.04890	4.2
84.02026	0.7
85.02836	0.9
87.00746	0.7
89.02313	1.4
93.03322	0.5
95.01235	0.3
95.04886	0.5
96.95886	0.1
97.02821	0.2
97.06462	0.3
98.19611	0.1
99.00766	0.2
101.02322	1.5
109.06433	0.3
113.02322	1.1
119.03366	0.4
123.08054	0.1
125.05981	0.5
125.09597	0.5
127.03844	0.1
135.04398	0.1
135.08058	0.6
139.07570	0.2
143.03435	0.1
145.04929	0.2
145.67642	0.1
147.11700	0.2
149.09607	0.1
150.06778	0.7
151.07011	0.1
153.12651	0.1
161.04510	0.6
163.11195	3.3
164.08354	0.2
164.11539	0.3
165.12755	2.1
169.12271	0.2
171.10162	2.4
173.04469	0.3
179.05432	0.3
179.10684	0.2
180.11015	0.2
181.12245	0.5
191.05573	1.5
191.10704	0.9
192.05791	0.2
199.13303	0.4
207.10197	0.3
209.11758	100.0
210.12096	6.1
211.13390	0.2
214.71425	0.1
221.11763	0.3
223.13307	0.3
225.11319	0.2
227.12828	14.6
228.13165	0.8
235.08199	1.6
247.13321	1.5
248.13591	0.1
249.14886	0.2
253.09245	5.7
254.09454	0.2
265.14383	0.5
365.51819	0.1
375.21567	0.2
393.22995	0.1
401.23352	0.5
419.24023	0.1
445.21033	0.7
463.21762	0.4
481.99228	0.1
493.33841	0.1
510.35077	0.2
511.35800	0.2
611.31274	0.2
637.31934	0.7
638.32648	0.2
655.33087	0.4
673.41357	1.5
674.32733	0.1
680.86707	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.3
57.02748	0.2
57.42223	0.2
59.01246	2.9
71.01247	1.9
72.99174	0.2
73.02821	0.4
80.02539	1.0
81.03338	1.2
83.01244	0.4
83.04890	3.9
84.02047	0.8
85.02819	0.5
87.00761	0.3
89.02309	1.4
93.03340	0.3
95.01285	0.2
95.04897	0.6
97.02833	0.3
97.06473	0.2
98.19739	0.4
99.00734	0.2
101.02318	1.9
109.06512	0.3
111.08096	0.2
113.02345	1.0
119.03431	0.3
125.05959	0.6
125.09603	0.4
127.03904	0.2
135.08026	0.5
139.07565	0.2
145.04898	0.2
161.04454	0.6
163.11191	3.1
164.11461	0.2
165.12746	2.2
170.63623	0.2
171.10179	2.2
179.05580	0.2
181.12245	0.6
191.05505	0.9
191.10715	0.8
209.11765	100.0
210.12106	5.4
221.11749	0.4
224.63489	0.2
225.11215	0.4
227.12833	13.3
228.13232	0.8
235.08170	1.7
237.14870	0.2
247.13388	1.2
251.13200	0.2
253.09232	5.6
254.09630	0.3
265.14395	0.5
307.27890	0.2
383.24588	0.2
419.24020	0.2
445.20676	0.7
511.28931	0.4
611.31030	0.3
637.32159	0.5
655.33521	0.3
673.33118	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	673.393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.9
58.00456	1.0
59.01240	4.1
67.91401	0.7
69.03301	0.7
69.40853	5.6
71.01241	4.2
71.04856	0.9
72.99164	0.8
73.02794	0.7
80.02538	0.8
83.01270	4.2
83.04880	1.5
83.06322	0.8
84.02042	1.3
85.02823	2.7
87.00728	1.3
89.02322	1.4
91.22722	0.7
93.03327	2.4
93.75654	0.7
95.01196	1.0
95.04893	1.8
96.95870	2.1
97.02840	1.2
97.06448	1.3
109.02780	0.8
109.06478	2.0
110.03564	1.4
111.08047	7.1
113.02261	1.7
123.04400	5.5
123.08035	3.6
125.09599	16.3
127.11175	4.6
130.10077	0.7
131.29906	0.7
135.04425	1.0
135.08040	1.5
137.05940	1.3
137.09610	6.6
139.11198	1.4
141.09088	6.0
151.07529	0.8
151.11131	4.0
153.09106	5.2
155.10664	2.8
163.07472	0.9
163.11215	0.9
164.08322	3.1
165.09077	3.2
167.06931	0.8
167.10553	1.5
169.12204	1.3
171.10167	9.4
173.04436	1.7
179.10432	0.8
181.08377	3.5
181.12112	0.8
182.05476	0.8
183.09966	3.1
183.11432	0.8
191.05392	6.0
191.07005	1.6
193.08371	12.1
195.10155	2.8
199.09659	1.9
199.13339	1.0
201.11241	40.4
202.11598	2.0
205.08427	2.1
207.10013	6.4
208.10452	1.3
209.07892	6.4
209.11774	17.1
210.12180	2.3
213.11246	26.0
214.11591	1.4
221.07912	1.5
221.11467	2.3
222.08704	1.4
223.09468	67.4
224.09814	2.9
225.07500	1.2
225.11197	1.4
227.09109	1.2
227.12823	3.4
228.13039	0.9
231.09914	1.8
235.09474	27.5
236.09917	1.1
241.09264	4.7
248.10204	1.7
249.11238	3.9
260.10266	17.1
261.18686	2.2
275.16205	0.9
278.11331	35.6
279.11652	1.4
279.19647	1.1
287.16275	1.0
289.18076	9.3
301.13873	0.7
301.17426	0.9
304.80081	0.8
307.19141	23.2
308.19446	1.7
311.16373	5.1
317.17291	1.8
319.18805	1.2
325.20160	100.0
326.20532	7.0
328.05835	1.0
329.17307	63.3
330.17529	4.2
347.18283	36.5
348.18414	2.8
589.32910	0.9
604.30066	0.9
673.39490	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	675.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32077	3.4
57.82811	3.0
59.01242	8.2
62.37473	3.2
71.01250	5.7
71.59097	5.3
71.59469	3.5
74.02338	15.6
75.59007	3.4
82.02850	4.1
85.02828	11.9
86.98952	4.4
87.00735	3.4
87.05497	5.8
89.02324	7.2
93.03331	15.2
95.87350	3.2
96.04430	13.0
96.95872	11.7
97.03947	10.1
98.02362	9.4
99.05522	8.6
100.00304	5.4
101.02321	9.4
108.04430	7.1
109.03921	5.4
112.03902	7.7
112.07491	3.4
116.01601	3.7
122.02282	3.7
122.05966	6.7
124.03905	13.1
125.03455	22.8
127.03947	4.0
127.04962	7.1
127.19458	3.4
135.04430	4.6
137.07149	7.1
139.05026	9.4
140.07086	7.8
147.05571	3.4
152.03398	5.3
155.08131	5.5
160.00658	16.7
165.06586	19.4
173.04459	9.8
178.01308	6.4
181.06073	9.2
183.07652	6.8
189.47362	3.3
191.05539	91.1
192.05910	5.2
209.05554	13.7
225.05145	31.8
227.06741	5.4
243.34254	3.6
253.04613	100.0
254.04907	5.1
271.05646	17.6
287.03546	5.7
305.04422	25.9
337.09229	14.1
355.23975	3.9
381.66949	3.7
613.24506	4.8
624.50159	3.8
657.23627	19.7
675.24719	91.4
676.24792	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	675.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28174	0.4
57.03320	0.8
59.01250	4.2
61.98698	0.9
67.01755	0.9
69.03329	0.7
71.01248	3.0
71.58929	0.6
73.02802	1.0
78.95768	1.3
81.03314	0.8
82.62414	0.4
83.04870	0.9
85.02821	12.1
87.00749	3.1
89.02316	1.4
93.03341	6.9
95.04922	0.5
96.95881	10.8
99.04387	0.9
101.02316	1.3
109.02821	1.7
111.00799	0.4
111.04404	1.3
113.02330	1.1
127.03942	2.8
128.31364	0.4
133.02824	1.3
135.04407	2.5
137.02379	0.8
139.03880	0.4
152.99481	0.7
155.03410	0.7
161.02330	1.6
163.11208	0.5
169.12231	0.8
171.02960	0.9
171.10150	2.2
173.04472	4.8
173.05917	0.5
174.03140	0.4
178.02499	0.5
179.03400	1.4
187.03929	0.7
191.05528	100.0
192.05847	3.1
197.11809	0.5
198.03049	0.5
199.03917	3.7
199.07544	1.0
199.13348	0.6
207.10092	0.8
209.11771	9.5
210.12093	4.2
211.13541	0.9
225.05521	0.5
225.11218	0.7
227.03464	1.8
227.10709	3.0
227.12840	1.5
228.13171	1.2
229.08682	0.8
241.53111	0.4
253.04945	1.5
253.08849	1.1
267.10089	0.7
268.11011	0.6
271.09702	1.3
284.85925	0.4
297.11633	0.5
306.07547	0.6
325.27002	0.4
351.07101	0.6
353.08792	0.5
381.13412	1.2
382.14136	0.9
383.14786	1.1
407.22284	1.0
413.15799	0.9
414.16751	3.2
418.21683	0.4
423.22083	1.0
439.25238	2.1
441.22672	3.0
442.22989	0.7
451.21237	3.5
457.25909	0.6
483.23935	39.9
484.24133	4.7
615.33899	0.5
675.26172	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	675.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
57.03320	1.5
57.13854	0.3
57.39317	0.2
58.00467	2.5
59.01247	56.1
60.01583	0.3
60.53201	0.2
67.01776	0.5
68.99683	0.6
69.03321	3.0
71.01249	44.9
72.01592	0.4
72.99173	3.3
73.02810	7.6
75.00738	0.9
76.19070	0.2
78.95766	0.3
81.03333	2.0
83.01250	5.2
83.04882	0.7
85.02818	10.0
85.99950	0.5
87.00742	9.5
87.04411	0.3
89.02312	38.5
90.02651	0.7
91.03896	0.9
93.03320	0.7
93.60982	0.2
95.01253	2.7
95.04911	0.3
97.02822	7.1
98.20586	0.7
99.00750	2.4
99.04404	0.7
101.02316	36.3
102.02645	0.6
103.03898	0.5
109.02818	0.9
111.00768	0.7
111.04416	1.6
113.02325	16.5
114.02640	0.3
115.03885	0.9
119.03380	10.6
121.02811	0.6
123.00772	0.4
123.04413	0.4
124.01561	0.4
125.02327	15.3
126.02677	0.4
127.03899	0.6
127.07551	0.3
129.01804	0.4
131.03394	1.9
133.04938	1.2
137.02260	0.4
139.03906	1.1
141.01862	0.7
142.02602	0.3
143.03386	6.8
149.02457	0.3
149.04434	1.5
157.05017	0.3
161.04456	7.8
167.03448	1.3
169.04895	0.4
171.02927	0.3
171.05971	0.2
179.05518	6.1
180.05836	0.3
181.04977	0.4
185.04453	0.7
190.91646	0.2
191.05667	0.3
199.06021	0.8
203.05507	0.6
217.07127	0.9
219.05034	0.5
221.06606	2.9
233.22591	0.4
235.08173	16.2
236.08420	0.6
245.06602	1.0
253.09268	4.1
259.20572	0.5
263.07742	1.8
275.20001	0.3
277.09378	0.9
277.21689	100.0
278.22064	8.9
278.94519	0.3
287.07724	4.0
291.23193	0.3
305.08755	3.4
323.09839	1.6
361.11346	0.8
379.12317	1.1
397.13470	76.5
398.13794	5.6
415.14529	34.2
416.15030	2.3
675.35254	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	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.7
57.03323	1.2
58.00470	2.4
59.01247	54.7
60.01619	0.4
61.98693	0.4
62.48425	0.3
68.99677	0.4
69.03323	2.4
70.65218	1.2
71.01250	40.7
72.01612	0.4
72.99171	3.3
73.02819	7.5
75.00735	1.0
81.03332	1.9
83.01260	4.5
83.01711	0.5
83.04926	0.6
85.02819	8.7
85.99976	0.7
87.00750	9.9
87.01268	0.6
87.04400	0.4
89.02314	35.5
90.02640	0.5
91.03889	0.6
93.03379	0.6
95.01263	3.3
97.02821	7.0
99.00757	2.3
99.04404	0.6
101.02317	35.2
102.02676	0.3
103.00263	0.5
103.03883	0.4
108.13257	0.3
109.02831	0.7
111.00751	0.6
111.04411	1.2
113.02325	16.0
115.03889	0.8
119.03378	11.5
121.02834	0.7
123.04427	0.4
124.01574	0.5
125.02330	14.7
127.03885	0.4
127.07603	0.6
131.03404	2.0
133.04951	1.2
137.02394	0.5
139.03925	1.4
141.01848	0.7
143.03392	7.4
149.02382	0.4
149.04466	1.4
158.14972	0.4
161.04459	7.9
161.05817	0.5
167.03391	0.8
179.03174	0.4
179.05515	6.8
179.06979	0.6
181.04910	0.3
185.04463	0.5
191.05690	0.4
199.06097	0.6
200.70340	0.4
203.05592	0.6
205.19669	0.3
217.07118	1.4
221.06554	2.9
235.08180	17.0
236.08438	0.7
245.06604	0.9
253.09270	3.6
259.20718	0.4
263.07669	1.7
275.20111	0.6
277.21698	100.0
278.22006	8.7
287.07678	4.1
291.23340	0.6
305.08704	4.3
323.09851	2.4
325.15961	0.4
334.77652	0.3
361.11459	0.7
379.12311	1.5
397.13464	87.2
398.13742	6.0
408.66989	0.4
415.14532	38.9
416.14874	2.1
452.06775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13653	0.7
57.16236	0.7
59.01239	2.1
59.98365	0.7
61.98688	2.2
64.79703	0.7
71.01254	7.4
71.13837	0.8
71.14198	1.7
71.39577	0.7
78.95779	5.7
83.01248	1.5
83.04868	1.0
85.02819	1.2
89.35173	0.7
90.93226	1.0
93.03326	2.1
95.01247	1.2
95.04875	0.8
101.02318	0.8
109.02832	1.1
123.04377	1.4
123.08067	1.8
125.09597	2.2
125.99277	1.6
127.07540	0.8
134.55164	0.8
135.04413	1.5
137.09621	0.9
139.11131	0.9
141.09099	3.3
149.05956	0.8
152.99445	4.0
165.01591	4.3
165.08894	1.2
171.10164	2.3
173.04439	1.5
181.08449	1.2
183.09949	1.9
191.05533	3.3
193.08420	8.8
193.12048	1.2
199.13300	2.5
201.11217	1.3
205.08421	1.2
207.10069	1.6
209.07881	3.0
209.11749	2.2
221.07864	3.4
221.11522	8.9
222.08679	53.6
223.09456	29.5
225.07390	1.0
227.08994	1.2
231.09933	1.2
233.11433	1.4
245.19110	1.2
254.07664	4.5
258.05118	5.8
259.09436	2.6
260.10226	10.2
263.29507	0.8
269.07999	1.9
277.21732	1.7
289.18115	9.1
290.18436	1.5
291.19827	0.9
292.08936	0.9
296.06674	1.0
301.17749	1.0
307.19113	13.7
308.19470	2.1
309.20590	5.6
311.16370	0.9
313.17847	1.7
329.17365	17.5
330.17349	0.9
331.18884	100.0
332.19269	8.9
363.12384	1.1
365.15054	16.6
366.15201	1.1
367.15253	5.3
368.23251	0.8
375.17807	1.7
397.13464	0.8
593.26898	2.1
675.34851	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	675.426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21605	0.2
59.01247	100.0
60.01596	0.8
61.98700	0.3
66.61706	0.3
69.41584	0.4
69.41991	2.0
78.95797	0.5
89.80201	0.2
96.95865	0.3
101.49997	0.3
118.67886	0.2
125.09635	0.3
134.68468	0.2
151.30614	0.2
152.99545	0.3
267.06345	0.3
304.41730	0.3
380.52414	0.3
397.12823	0.3
451.24664	0.2
546.28912	0.3
577.42285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.6
57.03306	1.1
58.00469	6.0
59.01250	100.0
69.03329	0.9
71.01251	85.1
71.58109	1.1
72.01577	1.0
72.99187	7.7
73.02812	8.1
75.00747	1.8
76.69968	0.9
79.62100	1.1
83.01247	2.1
85.02820	16.6
87.00755	5.4
89.02316	93.8
90.02668	1.5
90.31238	1.1
93.03328	2.9
95.01263	5.8
95.95734	0.9
96.95873	8.8
101.02322	44.0
101.02997	2.1
103.03889	4.7
108.94000	0.9
113.02328	29.3
119.03390	35.9
119.04794	4.9
123.04435	1.1
125.02294	1.0
131.03407	7.8
135.04436	1.2
141.01784	1.2
143.03412	9.5
145.02872	1.9
145.04941	1.2
149.04442	3.8
155.03392	4.1
161.04463	6.0
163.06027	18.1
171.45840	1.0
173.04582	2.1
179.05542	20.0
183.37433	1.1
188.07100	10.9
191.05534	6.6
204.79768	1.0
205.07053	2.6
216.06592	1.9
260.05569	4.0
265.09103	2.4
292.08353	3.3
325.11340	1.4
524.94946	1.1
632.15741	1.3
653.19971	1.0
656.47748	1.1
677.24811	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	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.5
57.03321	0.9
58.00459	1.6
59.01249	36.7
61.98689	0.4
69.03323	1.9
69.96689	1.6
71.01251	32.5
72.99174	2.6
73.02813	5.8
75.00751	0.6
81.03351	1.2
83.01258	3.8
83.04894	0.4
85.02817	6.6
85.99983	0.3
87.00749	8.5
87.01258	0.5
87.04379	0.3
89.02315	28.7
90.02637	0.4
91.03891	0.6
93.03294	0.5
95.01263	2.5
97.02820	5.8
98.20526	0.4
99.00752	2.3
99.04411	0.7
101.02316	27.1
103.00265	0.3
103.03871	0.5
109.02879	0.7
111.00802	0.4
111.04398	0.8
113.02326	13.7
115.03902	0.9
119.03386	8.8
121.02876	0.4
123.04408	0.3
125.02335	11.8
127.03864	0.6
131.03351	1.4
133.04951	1.1
139.03935	1.0
141.01836	0.7
143.03389	6.0
149.04472	1.1
157.04868	0.3
161.04456	6.4
167.03381	1.1
171.02950	0.4
179.05513	6.6
185.04510	0.5
191.05399	0.3
199.06020	0.9
203.05428	0.4
217.07097	1.2
219.05205	0.3
221.06609	2.4
235.08180	13.9
236.08578	0.6
245.06664	0.7
253.09239	3.7
261.22308	0.3
263.07709	1.6
277.09262	0.8
277.21713	0.4
279.23267	100.0
280.23621	7.9
287.07718	3.6
293.25110	0.5
305.08722	4.0
323.09808	1.9
361.11276	0.7
379.12531	0.7
397.13467	80.4
398.13779	5.2
398.18604	0.5
415.14536	32.9
416.14786	2.2
523.32184	0.3
535.27362	0.5
563.78082	0.3
564.54755	0.3
573.06854	0.4
677.37848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03324	1.0
58.00461	1.8
59.01248	42.3
60.01574	0.3
68.99664	0.3
69.03330	2.4
69.75894	0.6
69.76311	0.7
71.01250	32.5
72.01575	0.3
72.99177	2.3
73.02815	6.0
75.00753	1.0
78.95797	0.3
81.03324	1.6
82.86160	0.2
83.01249	3.6
85.02820	6.8
87.00748	8.2
87.04388	0.3
89.02312	28.8
90.01007	0.3
91.03873	0.8
93.03353	0.4
95.01260	2.4
97.02827	6.5
99.00745	2.0
99.04431	0.4
101.02319	27.2
101.52750	0.2
102.02649	0.5
103.03902	0.3
109.02834	0.6
111.00767	0.5
111.04393	1.2
113.02328	12.7
115.03893	0.8
119.03379	9.1
121.02839	0.4
123.00785	0.5
123.04388	0.5
124.01549	0.4
125.02335	11.5
127.03903	0.3
131.02560	0.2
131.03375	1.5
133.04967	0.8
137.02367	0.3
139.03888	0.9
141.01839	0.7
143.03383	5.6
149.02487	0.3
149.04425	1.0
151.03847	0.2
157.04912	0.3
161.03178	0.4
161.04463	6.6
167.03386	0.7
169.04967	0.5
171.02867	0.3
179.03900	0.3
179.05513	6.0
181.04991	0.3
185.04544	0.6
199.06024	0.5
203.05574	0.3
217.07141	1.1
219.05092	0.3
221.06624	2.4
223.36803	0.2
235.08173	13.6
236.08429	0.4
245.06587	0.9
252.32280	0.2
253.09273	3.0
256.53528	0.3
261.22314	0.4
263.07721	1.3
277.09363	1.0
279.23264	100.0
280.23621	8.0
287.07703	3.0
293.24829	0.7
305.08780	4.2
323.09756	1.5
325.09735	0.2
361.11340	0.8
379.12372	1.1
397.13461	79.3
398.13852	4.8
415.14536	33.9
416.14740	2.0
678.39331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.5
59.01242	8.7
61.98677	1.8
71.01243	6.1
71.04890	2.1
71.59303	2.6
72.99181	1.9
78.95782	15.9
83.01240	3.8
89.94782	2.8
92.01394	1.8
95.01268	7.7
97.02843	2.5
109.02845	4.6
110.03663	2.4
123.04385	7.9
123.08038	5.5
125.09643	2.0
126.64816	2.0
133.02769	2.4
135.04434	2.2
139.11186	5.9
149.02322	3.4
152.99495	7.9
153.12791	4.7
155.03435	3.2
155.14398	1.9
171.10155	6.9
190.02614	3.4
191.05511	7.3
193.08463	3.1
193.12105	3.5
195.13753	2.3
199.13383	10.9
201.11226	3.8
205.04970	7.6
209.11757	5.9
215.17799	2.3
221.11536	31.6
222.11763	2.1
223.06090	4.2
231.09970	2.5
233.11635	3.4
245.19077	6.3
257.07172	2.1
259.09561	14.8
260.10275	46.8
261.10724	7.4
262.11755	8.5
269.07956	4.9
289.18103	38.1
290.18381	3.3
292.09299	3.0
293.21234	7.1
295.22672	3.7
301.17923	3.8
307.15680	4.0
307.19141	65.6
308.19516	7.1
309.20782	4.8
311.16287	5.2
311.22131	11.2
315.19461	2.9
329.17355	89.3
330.17615	6.0
331.18948	12.2
332.19229	2.4
333.20032	7.3
365.14972	100.0
366.15121	7.9
369.18011	15.4
516.92896	2.0
659.35968	3.3
677.38300	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	677.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.0
68.26485	0.3
69.62784	1.8
71.01246	0.4
71.04884	0.4
73.02822	0.3
80.02541	1.7
81.03326	1.7
83.04892	5.4
84.02032	1.8
89.02288	0.3
93.03363	0.4
95.04904	0.7
96.95863	0.4
97.06515	0.3
98.20549	0.3
101.02328	0.5
125.05970	0.8
125.09592	0.4
135.08049	0.7
147.11755	0.3
163.11182	4.7
165.12738	3.4
181.12259	0.6
191.05568	1.9
191.10667	1.4
209.11761	100.0
210.12120	5.0
227.12831	55.6
228.13162	2.9
259.15469	3.8
378.70892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86837	0.7
57.03324	4.1
59.01231	1.4
61.98710	1.1
69.65015	1.6
69.65420	3.4
71.01254	2.0
74.85126	0.9
78.95800	1.0
82.29969	0.7
82.42310	0.7
83.04877	0.7
85.02847	1.7
87.00770	1.3
93.03333	3.6
96.95903	1.8
97.06453	1.2
108.02071	0.8
113.09617	6.2
125.09614	4.9
127.07480	1.1
127.11179	2.9
137.09555	1.5
139.11226	1.5
141.09126	4.4
143.10565	0.7
151.11171	2.2
153.09129	1.4
153.12784	1.7
155.10678	2.0
165.09079	2.3
166.09906	1.2
167.10634	0.9
169.12358	0.8
171.10191	4.5
173.04509	2.1
181.08395	2.2
183.10022	2.0
191.05505	8.4
191.06931	1.2
193.08398	8.5
195.10135	2.0
199.09723	1.6
201.11263	34.7
202.11530	1.2
207.09967	0.8
209.07921	4.6
209.11839	1.3
213.11273	20.7
214.11554	1.3
221.07997	0.9
223.09497	48.6
224.09821	2.3
225.07330	0.9
227.09064	0.8
235.09479	20.0
236.09843	1.5
241.09261	7.2
247.20634	0.8
249.11066	6.1
263.20120	7.6
274.11862	1.3
291.19644	2.4
303.19348	2.0
309.20758	5.4
313.17917	0.8
327.21756	100.0
328.22104	7.4
331.18900	41.7
332.19150	2.4
349.19739	17.8
449.14581	1.8
461.46246	0.8
480.03003	0.9
677.27417	1.5
677.42206	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	677.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.1
58.00490	1.4
59.01254	1.7
63.92054	0.5
69.71871	3.4
71.01265	1.7
73.02831	0.8
73.35636	0.7
78.95771	0.8
85.02856	1.2
87.04408	0.8
93.03314	2.9
96.95916	1.6
97.06477	0.9
97.15002	0.6
98.03616	1.1
98.20531	0.8
108.02024	0.7
113.09598	9.9
123.08061	0.9
123.13473	0.6
125.06011	0.8
125.09605	7.0
127.07578	0.7
127.11168	5.8
135.08060	0.7
137.09612	2.2
137.66711	0.5
139.11159	1.4
141.09088	5.9
141.09901	0.5
143.10721	1.3
149.09624	0.5
151.11194	2.5
153.09123	2.4
155.10699	3.6
165.09023	3.2
166.09885	1.6
167.10648	1.5
171.10156	6.3
173.04483	1.9
177.09117	1.0
179.06837	0.8
180.18649	0.5
181.08366	3.3
181.12259	0.8
183.09959	3.6
191.05534	8.8
191.06898	2.0
193.08383	13.4
194.08829	0.6
195.10126	2.6
199.09706	2.1
201.11246	48.8
202.11531	2.9
205.08548	0.9
207.06502	0.6
207.09995	2.5
208.73415	0.6
209.07889	7.4
213.11253	29.1
214.11525	1.6
221.08038	1.0
222.08733	0.9
223.09467	74.0
224.09842	2.3
225.07416	0.9
227.09070	1.3
227.12808	0.9
231.05103	0.7
231.10129	0.6
235.09477	30.5
236.09830	1.5
241.09254	6.5
242.09584	0.6
247.20662	0.8
249.11102	8.4
274.11877	1.8
291.19730	5.0
303.19269	0.9
309.20700	7.0
313.17828	1.6
319.17941	1.0
327.21738	100.0
328.22055	7.6
331.18878	60.6
332.19348	4.1
349.19760	15.6
350.19873	1.1
375.17844	1.4
397.98840	0.6
449.14221	1.5
450.14642	0.7
473.09683	0.7
677.28540	1.7
677.42108	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	677.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.2
58.00473	0.3
59.01248	100.0
60.01587	0.9
60.26353	0.2
60.99186	0.2
61.98702	0.5
66.43042	0.2
67.01762	0.4
69.03329	0.3
71.01247	7.6
71.58693	0.2
72.99181	0.7
73.02845	0.2
76.55936	0.2
78.95765	1.1
83.01261	0.3
85.02834	1.1
87.00767	0.9
89.02314	10.5
90.02705	0.2
93.03339	2.1
95.01279	0.7
96.95876	1.1
101.02325	4.4
111.04443	0.3
112.66008	0.2
113.02322	3.2
119.03383	4.7
125.02354	0.3
131.03407	0.7
135.04446	0.9
140.55069	0.2
143.03383	1.5
149.04465	0.4
152.99516	0.5
160.01595	0.3
161.02353	0.3
161.04430	1.5
165.73653	0.2
168.02809	0.2
171.00565	0.6
171.10197	0.6
173.04468	1.7
179.05516	5.5
180.05894	0.3
191.05525	6.2
192.05884	0.7
193.06071	0.3
209.11838	0.8
449.14536	1.1
449.23380	0.3
677.26678	1.1
677.42731	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	677.494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02827	0.2
59.01227	0.4
61.14064	0.2
62.04096	0.2
69.50620	0.2
69.50928	1.6
71.01227	0.4
74.90565	0.2
81.03327	7.1
83.04892	17.1
83.74912	0.2
84.05226	0.3
85.02811	0.2
87.00729	0.2
93.03320	0.3
95.70085	0.2
96.95871	0.3
100.07539	0.4
101.02290	0.3
104.98863	0.2
107.06019	0.4
108.04434	0.5
117.43216	0.2
122.49280	0.2
125.07086	0.9
125.22585	0.2
125.80103	0.2
126.05495	0.5
135.04434	0.2
143.08173	0.4
191.05508	1.4
207.14967	1.3
224.17639	2.8
225.16037	13.0
226.16359	0.5
242.18771	0.9
271.58414	0.2
291.20865	0.2
309.21729	0.6
324.26587	0.5
333.22961	1.0
341.29187	0.8
367.26962	1.1
407.33551	0.4
433.31970	1.2
450.34625	1.3
451.32874	5.9
452.33218	0.9
540.54602	0.2
550.43457	0.9
559.39728	0.5
565.44159	0.3
593.43768	0.5
642.26825	0.3
659.48413	1.5
677.49634	100.0
678.49927	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	679.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15126	1.0
52.24347	1.0
57.03313	2.1
59.01256	7.2
60.99177	1.5
61.98704	1.3
67.01749	7.2
69.03326	2.5
71.01259	4.4
71.58305	1.6
78.95761	1.4
81.03342	1.4
83.04894	3.1
85.02814	10.5
87.00738	8.7
93.03335	46.0
96.95884	1.3
99.00787	1.3
101.02322	2.7
109.02831	2.3
111.04396	6.5
113.02335	2.3
119.03391	1.1
123.04424	2.5
127.03921	1.9
129.01816	1.5
132.02098	1.4
133.02834	3.4
134.03630	7.1
135.04453	12.0
137.02336	2.6
155.03413	6.6
160.01573	4.1
161.02324	6.7
173.04463	35.1
179.03493	2.0
189.17555	1.6
191.05533	100.0
192.05905	3.0
253.04912	1.5
291.19577	5.3
309.20856	1.7
311.22168	2.1
343.22949	1.8
351.07266	2.4
407.22278	6.2
425.23538	2.4
451.21237	9.8
452.21634	1.8
469.22449	1.8
473.27509	1.2
487.18994	2.8
594.27887	1.7
643.27509	35.4
644.27393	5.6
679.25110	2.4
680.25989	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	679.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39429	0.4
57.03315	0.9
59.01244	3.1
60.99181	1.0
61.98700	1.2
67.01760	3.6
69.03329	0.8
70.36438	0.4
71.01256	2.6
72.99184	1.2
73.02810	0.6
81.03336	1.2
83.04900	0.8
85.02821	11.0
87.00754	6.8
93.03334	22.4
94.03665	1.1
95.01270	0.6
96.95870	2.4
98.19785	1.1
101.02306	0.6
108.02058	1.5
109.02813	3.2
111.04398	3.6
121.02849	0.5
123.04407	1.7
127.03914	2.8
129.01811	1.0
133.02863	2.8
134.03638	2.2
135.04407	18.9
136.01573	3.5
137.02336	15.6
138.02684	0.6
151.03932	1.8
153.01848	0.6
153.05513	0.8
154.02632	1.6
155.03398	1.7
161.02351	3.7
171.02937	2.2
173.04469	15.4
173.05971	0.9
177.01825	1.0
178.02620	1.0
179.03413	1.9
189.03963	1.0
191.05536	100.0
192.05852	4.4
193.06004	0.6
197.04494	0.7
200.04930	0.4
232.05725	0.8
233.06630	1.6
264.04883	0.6
291.19629	0.8
307.19052	0.5
309.20761	5.3
340.07938	0.9
351.07147	0.9
352.07867	0.7
353.08856	1.8
369.08264	0.7
370.09018	1.3
371.09839	5.7
381.13086	0.5
425.23148	0.9
443.24298	4.0
444.24582	0.5
445.22031	1.1
451.21240	0.7
469.22342	4.5
470.22662	0.5
487.22421	0.4
505.24341	4.1
607.00159	0.5
649.28308	1.6
661.28510	1.6
679.29584	33.7
680.30017	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	679.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.7
61.98690	1.7
67.01754	0.7
69.03333	0.5
71.01247	4.6
71.58730	0.7
72.99175	1.6
73.02814	1.3
81.03317	0.7
83.01244	0.6
83.04891	0.6
85.02814	13.1
87.00739	3.4
89.02302	1.1
93.03325	9.1
96.95876	11.7
97.02848	0.4
99.00739	0.6
99.04409	0.9
101.02314	2.0
109.02842	2.0
111.04378	1.5
113.02335	1.3
115.00249	0.8
116.92743	0.5
120.19781	0.6
121.64689	0.4
125.02328	0.6
126.96142	0.4
127.03900	2.9
132.02028	0.8
133.01332	2.1
133.02841	0.6
134.03619	0.5
135.04373	2.4
137.02304	1.9
146.03593	1.5
148.05240	0.5
151.03870	0.5
155.03395	0.5
159.04353	0.6
159.77737	0.4
160.01593	2.9
160.31767	0.5
161.02322	2.0
161.04416	0.7
161.05890	0.4
162.03084	0.9
163.03880	0.7
169.12268	0.7
171.10127	0.7
171.64061	0.5
173.02353	0.6
173.02960	0.6
173.04471	5.4
173.05885	0.7
174.03154	2.7
174.04565	0.5
176.04663	0.8
179.03409	0.9
187.03938	3.0
188.04665	0.7
191.05524	100.0
192.05858	5.1
193.06047	1.2
201.05519	0.7
201.11145	0.6
206.02107	0.9
209.11816	0.8
211.04010	0.5
211.13191	0.5
213.05502	0.7
215.07033	1.0
215.12971	0.5
217.41866	0.5
225.05437	0.5
227.07126	0.7
229.05014	1.6
234.68233	0.5
239.03439	0.5
273.14926	1.3
299.12790	1.7
315.12473	0.5
317.13943	4.9
357.13486	0.8
358.14029	0.6
407.22360	0.5
425.23300	7.2
426.23657	1.1
443.24115	2.0
445.22125	0.7
448.13626	0.8
451.21127	1.1
461.25729	0.6
469.22263	54.3
470.16577	0.8
470.22644	8.5
487.23193	1.2
499.36765	0.6
505.24265	2.1
517.33636	1.1
661.28766	1.7
662.30328	0.5
679.29224	8.5
679.39441	1.6
680.29834	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	679.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69540	0.4
57.03307	0.8
58.25026	0.4
59.01244	1.8
60.99159	1.0
61.98684	0.8
67.01740	2.7
69.03335	1.1
69.31715	3.5
71.01244	2.2
72.99174	2.0
73.39832	0.4
75.09825	0.4
81.03323	0.9
83.04912	0.8
85.02819	9.7
87.00749	6.9
93.03332	20.8
94.03667	0.6
96.95885	1.4
98.19783	0.6
99.00811	0.5
108.02041	1.6
109.02838	5.7
111.04408	3.4
123.04393	2.9
124.01557	0.7
125.09644	0.6
127.03918	2.5
129.01807	1.3
131.89311	0.4
133.02846	2.9
134.03636	2.3
135.04402	14.1
136.01552	3.6
137.02333	21.2
138.02641	0.8
139.03938	0.6
151.03896	3.8
153.01830	1.2
153.05450	1.9
154.02599	1.6
155.03391	1.8
161.02324	1.7
171.02933	3.2
171.10197	0.5
173.04456	10.2
174.06622	0.5
177.01808	1.3
178.02638	1.6
179.03413	1.7
180.04272	0.5
189.03966	1.0
191.05525	100.0
192.05873	3.8
197.04515	0.8
231.05199	0.4
232.05913	0.8
233.06641	2.1
242.05426	0.5
254.72981	0.5
264.04831	1.0
291.19699	1.0
298.24768	0.4
307.19305	0.5
308.08817	0.5
309.20679	5.0
310.21201	0.5
340.07861	0.6
351.07327	0.8
352.07913	1.5
353.08630	1.4
354.08646	0.5
369.08173	0.7
370.08984	2.7
371.09811	6.9
425.23380	0.8
443.24292	2.2
445.22171	0.6
451.21042	0.9
461.25406	1.2
469.22302	4.4
470.22958	0.7
475.23212	0.7
487.23639	0.7
495.41388	0.4
505.24390	6.3
506.24683	0.7
618.28851	0.5
649.28784	2.1
661.18768	0.5
661.27985	2.1
662.28558	0.5
679.29657	41.9
680.29846	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	679.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51429	1.3
56.94331	1.6
57.03313	1.5
59.01244	7.1
67.01756	2.5
68.99689	15.2
69.03312	4.7
71.01250	5.5
73.67545	1.4
83.04890	2.6
85.02790	1.6
89.02309	2.1
93.03349	9.7
94.71954	1.3
95.01263	34.7
96.95860	3.4
97.02818	2.3
99.45618	1.3
101.02318	35.6
103.34050	1.4
107.22510	1.6
111.04408	2.5
113.02322	1.8
115.44379	1.5
119.44665	1.8
121.02846	3.6
121.06486	1.5
123.04405	62.5
124.04714	1.8
125.09592	2.0
131.05020	1.4
133.02843	6.0
134.03630	17.1
134.64220	1.6
135.04425	15.9
137.02296	3.6
139.11224	2.1
149.02350	5.6
149.06010	2.4
151.03885	1.6
155.03401	100.0
156.03745	2.1
171.10193	1.8
173.04471	12.7
177.01854	1.8
178.02612	5.8
179.03407	6.4
181.05019	2.2
191.05574	10.5
193.04758	2.0
197.11710	2.6
199.13307	1.8
211.13382	1.6
225.07626	10.7
229.45531	2.2
242.95692	1.4
271.20679	2.4
291.19608	19.4
293.21246	4.9
309.20618	27.0
310.20941	2.8
311.22156	3.3
315.19476	3.8
333.20621	7.7
352.07983	3.0
357.20517	2.3
367.15381	5.7
375.21500	1.9
411.23938	2.4
425.23157	9.0
469.22229	12.8
523.29559	2.4
634.01886	1.5
643.27344	6.5
679.33337	19.6
680.33588	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	679.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.1
57.03309	1.0
58.00467	1.7
59.01249	31.6
60.01563	0.4
68.99689	0.5
69.03326	2.2
71.01250	30.3
72.01566	0.4
72.99183	2.9
73.02815	5.4
75.00739	0.7
78.95781	0.5
79.70135	0.3
79.95546	0.3
80.02527	0.3
80.96397	0.4
81.03324	1.5
83.01257	3.0
85.02824	6.9
85.99959	0.4
87.00751	8.0
89.02314	25.8
90.02593	0.4
91.03883	0.6
93.03316	0.7
95.01236	2.2
97.02829	5.5
99.00750	1.7
99.04375	0.4
101.02319	28.0
102.02658	0.6
103.00261	0.4
109.02857	0.5
111.00778	0.4
111.04404	1.0
113.02328	13.0
115.03912	0.6
119.03386	8.3
121.02800	0.6
123.00732	0.4
124.01557	0.4
125.02330	10.8
126.62531	0.3
127.03908	0.4
129.01784	0.3
131.03383	1.8
131.77455	0.3
133.04945	1.0
139.03908	0.8
141.01837	0.5
143.03387	5.3
149.04443	1.1
161.04449	6.2
167.03316	0.6
179.05531	5.2
185.04434	0.4
199.06065	0.4
203.05498	0.7
217.07112	0.8
221.06601	2.1
235.08185	13.0
245.06583	0.6
253.09148	2.6
263.05258	0.3
263.07758	1.4
277.09204	1.0
281.24835	100.0
282.25195	8.7
287.07755	3.5
295.26572	0.4
305.08743	3.8
321.26456	0.3
323.09860	1.2
361.11365	0.7
379.12396	1.0
397.13477	76.2
398.13840	5.2
415.14539	30.8
416.14957	1.8
443.04810	0.4
465.17963	0.4
470.59122	0.4
613.18268	0.3
679.25848	0.4
679.38062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06807	0.4
53.12526	0.4
53.92163	0.4
55.01745	1.5
57.03311	1.4
58.00451	1.9
59.01249	42.6
61.98686	0.5
64.17996	0.5
64.26552	0.4
68.59413	0.4
69.03313	2.4
70.13322	1.6
71.01250	37.8
72.01582	0.4
72.99174	3.5
73.02439	0.5
73.02818	6.2
75.00739	0.5
81.03321	2.1
82.93349	0.4
83.01247	4.7
85.02812	8.1
87.00751	10.1
87.04401	0.5
89.02312	33.0
91.03882	0.9
93.03320	0.4
95.01257	2.3
97.02818	7.2
99.00747	2.1
101.02317	28.5
103.03930	0.5
109.02829	0.6
111.00739	1.0
111.04378	1.4
113.02325	15.9
114.02670	0.6
115.03857	0.6
119.03379	10.4
119.93312	0.4
123.04385	0.6
125.02338	13.5
131.03387	1.3
133.04959	1.4
139.03906	1.2
141.01811	0.6
143.03401	5.5
148.07245	0.4
149.04411	0.7
152.99568	0.6
161.04478	6.6
167.03326	0.8
179.05534	6.7
179.37460	0.5
185.04485	0.6
191.05602	0.7
202.00874	0.4
217.07085	1.3
219.04977	0.7
221.06612	2.9
235.08183	14.8
236.08687	0.6
245.06735	0.8
253.09308	3.4
263.07819	1.4
277.09335	0.9
281.24838	100.0
282.25217	8.1
287.07739	3.2
293.21326	1.2
305.08850	3.5
323.09708	2.4
379.12454	1.7
397.13470	87.8
398.13730	6.9
415.14554	32.7
416.14853	2.4
427.78760	0.5
453.00372	0.5
489.60983	0.5
603.05945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.5
55.40128	0.5
57.00041	0.5
57.03302	0.7
58.00455	1.9
59.01249	39.8
61.98707	3.7
68.99705	0.7
69.03310	2.2
70.10880	0.5
70.61149	1.2
70.61555	1.3
71.01250	41.1
72.01596	1.0
72.99178	3.6
73.02806	7.4
79.95595	0.7
80.96391	1.5
81.03322	1.6
83.01258	4.7
85.02824	8.9
85.99937	0.6
87.00748	9.0
89.02314	32.9
91.03895	0.9
91.11639	0.6
95.01257	3.0
95.06155	0.6
97.02809	7.5
99.00759	2.0
99.04382	0.9
101.02316	31.8
103.03884	0.8
111.00771	1.4
111.04382	1.0
113.02325	14.6
115.03915	0.9
119.03386	9.1
123.04423	0.7
125.02344	12.9
131.03374	2.2
133.04944	1.7
139.03966	0.9
141.01805	0.8
143.03409	6.5
149.04433	0.8
150.46558	0.7
161.04443	6.2
167.03368	0.7
169.04901	0.6
172.59686	0.6
179.05493	6.8
191.05600	0.9
203.05522	0.7
209.11743	1.7
217.07094	1.3
221.06581	2.6
235.08167	13.4
236.08467	0.7
245.06573	1.2
250.01338	0.6
253.09268	3.4
253.21707	1.5
259.98981	0.6
260.10321	1.0
263.07742	2.0
277.09201	1.2
277.21710	1.3
283.26407	100.0
284.26749	8.5
287.07733	3.5
297.27875	0.7
305.08762	5.2
307.19257	0.9
323.09869	2.0
329.17337	1.5
361.11365	0.6
379.12540	1.5
397.13474	89.4
398.13907	5.0
415.14548	31.6
416.14789	2.1
445.22879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.2
59.01250	0.9
60.99165	0.6
67.01756	1.9
67.77522	0.2
69.03327	0.5
69.26070	2.1
71.01260	1.3
73.02818	0.3
73.93631	0.2
80.75700	0.2
81.03341	0.3
83.04865	0.2
85.02822	4.9
87.00753	2.6
87.79194	0.2
93.03333	12.5
94.03646	0.3
95.01254	0.4
95.04878	0.2
96.95933	0.3
98.20513	0.4
99.00767	0.3
99.04383	0.3
101.02313	0.3
105.03342	0.6
109.02832	0.5
109.99902	0.2
111.00771	0.3
111.04378	1.9
118.24379	0.2
121.02831	0.5
125.02335	0.5
127.03882	1.2
129.01814	0.3
132.82333	0.2
133.02847	4.3
134.03578	0.8
135.04408	11.9
136.04747	0.4
137.02330	0.5
139.00270	1.8
140.01045	1.5
141.01807	0.2
148.26634	0.2
150.03078	0.2
153.01819	1.4
154.02605	1.3
155.03397	3.5
161.02341	4.3
162.02618	0.3
165.01903	0.3
165.05426	0.3
167.03413	0.3
171.02902	0.4
173.04465	2.9
175.03845	0.2
177.01846	0.5
178.02513	0.2
179.03412	10.0
180.03795	0.4
191.05530	100.0
192.05855	2.7
215.05566	0.5
308.08902	0.7
317.08713	4.4
351.07236	0.5
353.08740	34.0
354.09076	2.4
367.10233	1.7
395.09756	7.6
396.10159	0.4
407.09677	0.4
425.10825	0.7
455.12009	1.7
515.13928	0.6
521.12823	0.4
644.69836	0.2
683.18219	6.0
684.18829	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	683.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.7
67.01759	0.8
69.03328	0.4
71.01244	2.1
71.58353	0.4
71.58715	0.4
72.99158	0.4
81.03331	0.4
85.02818	5.2
87.00758	2.3
89.02285	0.8
92.58732	0.3
93.03336	6.6
95.01247	0.6
96.95871	1.0
99.00717	0.6
101.02323	1.4
105.03349	0.5
107.04912	0.4
109.02840	0.8
111.04405	1.2
113.02316	0.9
121.02813	0.4
125.02307	0.5
127.03905	1.0
133.02846	3.7
134.03609	0.4
135.04405	15.2
136.04779	0.4
137.02364	0.4
139.00272	1.3
140.00990	1.0
141.01711	0.3
149.02246	0.4
151.03893	0.6
153.01813	1.1
154.02640	1.3
155.03410	2.8
161.02348	6.9
163.03934	0.6
171.02815	0.4
173.04451	3.2
177.01840	1.2
179.03413	12.5
180.03783	0.7
191.05527	100.0
192.05875	3.4
207.10207	1.1
215.05583	0.4
225.11311	0.7
317.08749	1.1
351.07159	1.5
353.08752	38.0
354.09094	2.5
367.10458	1.1
395.09763	6.7
397.13379	1.2
455.11838	1.0
503.19080	0.9
515.13910	2.0
521.13092	1.0
623.25110	0.8
653.24347	0.5
683.18109	8.8
684.18091	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	683.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.6
58.00461	0.8
59.01247	11.4
62.80813	0.4
66.68822	0.5
67.01749	1.6
68.99688	16.0
69.03316	2.2
71.01256	9.4
71.58381	0.5
71.58779	0.5
72.99165	1.1
73.02818	1.2
75.00743	0.6
77.03839	0.5
81.03316	0.8
85.02814	2.9
87.00727	1.6
89.02315	8.2
90.48543	0.4
93.03324	3.9
95.01260	27.5
95.04874	2.4
96.01568	0.5
96.95879	2.0
97.02826	0.6
101.02319	23.0
101.02994	1.1
102.02675	0.8
105.03326	4.4
108.02055	0.6
109.02811	0.6
111.04419	1.4
113.02354	2.7
119.03390	2.9
121.02853	1.4
123.00741	1.0
123.04406	39.5
127.03880	0.8
129.01787	0.6
133.01323	1.0
133.02841	23.1
133.04927	0.8
134.03217	0.7
135.04411	21.6
136.04736	0.9
139.00258	1.0
149.02351	1.3
149.05991	0.6
151.03885	0.9
153.01860	1.2
154.02621	0.9
155.03398	100.0
156.03722	2.4
159.58243	0.5
160.79951	0.5
161.02339	8.6
161.04456	0.8
165.05605	0.5
165.35316	0.5
173.04472	4.9
177.01842	9.2
179.03416	16.4
179.05598	1.1
180.03726	0.8
191.05527	10.8
217.99982	0.5
295.11978	0.9
296.11935	0.7
317.08636	2.8
335.07669	11.3
336.08102	1.5
353.08749	8.3
354.09158	0.8
359.13495	0.6
419.11343	0.7
419.15726	7.4
451.14536	26.5
452.14914	2.1
471.15219	1.1
489.16418	1.1
503.17621	1.6
515.13818	0.9
521.18842	10.2
522.19312	0.9
651.21063	0.7
683.18799	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	683.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
58.00460	0.7
59.01246	8.6
67.01744	1.1
68.99685	13.3
69.03328	1.1
71.01250	7.3
71.58804	0.4
72.99184	0.9
74.95658	0.2
76.27654	0.2
76.83238	0.3
79.01749	0.3
80.69787	0.2
81.86517	0.2
85.02818	1.8
86.32513	0.3
87.00728	0.7
89.02312	5.9
89.82175	0.2
93.03312	1.5
95.01260	25.3
96.01604	0.5
96.95878	1.0
97.02823	0.6
99.00813	0.3
101.02319	20.0
101.79894	0.3
108.02048	0.3
111.04382	0.6
113.02319	2.6
119.03393	2.4
119.04889	0.3
123.00756	0.8
123.04405	27.7
124.04740	0.9
125.02318	0.3
131.03421	0.2
133.02832	0.7
135.04391	2.0
143.03477	0.4
149.02327	0.6
155.03398	100.0
156.03732	3.1
161.02364	0.6
161.04492	0.3
173.04486	0.6
175.03915	0.5
175.07472	0.3
179.03436	1.2
179.05518	0.9
191.05534	8.3
192.05858	0.6
192.28491	0.3
193.04936	0.3
257.98935	0.3
317.08841	0.6
329.13849	1.9
335.07632	0.3
338.12076	0.3
353.08725	2.8
359.14609	0.3
395.09872	0.5
419.15588	2.9
420.15695	0.3
451.14529	26.5
452.14877	3.1
471.15192	0.3
489.16107	1.3
503.17355	1.4
521.18719	13.6
522.19025	1.4
664.02087	0.3
683.24536	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	683.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	1.0
58.21329	0.8
59.01251	10.9
67.01775	1.5
68.99684	15.1
69.03314	1.6
69.70768	5.5
71.01253	8.3
85.02824	2.6
89.02310	8.4
93.03333	1.2
95.01254	27.1
96.95879	2.2
97.02817	1.2
97.47978	0.8
98.19798	0.8
101.02319	25.0
101.25153	1.2
113.02331	2.4
119.03396	4.0
119.51059	0.9
123.04404	32.1
127.03909	1.2
133.02888	1.8
135.04391	1.5
140.88768	1.0
143.03427	0.9
148.90155	1.1
155.03395	100.0
156.03712	2.8
175.56764	0.9
179.03430	1.7
179.05559	1.5
191.05515	3.2
257.77646	0.8
342.39447	1.1
419.15598	6.5
451.14502	24.4
452.14767	1.8
471.15332	0.9
521.18695	14.8
683.23914	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	683.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.4
59.01229	7.1
61.98704	2.8
67.01741	3.7
68.52237	1.9
69.03314	2.3
71.01232	8.2
71.29983	3.4
73.52106	1.7
85.02801	10.3
87.00743	14.6
88.70286	2.1
88.85825	1.8
93.02759	2.7
93.03331	36.2
96.95860	5.2
101.02309	2.8
105.03300	5.6
109.02795	5.5
111.04423	9.7
115.19570	2.0
123.04321	2.8
129.01773	3.7
132.02042	4.3
133.02844	51.0
134.03670	13.0
135.04413	43.7
137.02277	7.4
139.03902	2.1
141.09030	2.0
150.03088	2.0
151.03859	2.2
155.03340	6.0
157.04881	2.5
159.04359	3.0
160.01477	4.4
161.02330	17.2
161.05682	1.6
173.04448	18.1
173.05840	3.1
174.03059	4.8
177.01860	13.4
178.02608	9.4
179.03423	31.6
181.12086	1.7
187.03683	1.9
188.00748	4.6
189.01590	3.0
191.05533	52.4
192.05806	6.0
193.05841	4.4
198.91998	1.8
200.00824	25.7
200.04771	3.0
201.01591	12.9
207.10133	2.5
209.07756	2.3
209.11612	2.8
215.05409	7.9
221.07733	2.7
222.08647	18.9
223.09254	2.9
269.11737	2.5
307.08051	2.6
321.05243	1.9
351.07162	24.8
374.01694	2.5
374.06146	47.9
375.06931	61.0
376.07111	3.7
394.10022	2.1
421.12347	3.6
425.23071	3.0
469.22150	6.2
473.19009	3.1
491.20490	44.2
492.20532	6.2
509.21365	15.3
683.26477	100.0
684.26605	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	683.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.5
59.01240	6.2
67.01741	3.5
71.01244	8.3
73.02822	1.6
81.03295	3.5
83.04888	6.4
84.15295	1.7
84.91193	1.4
85.02812	13.4
87.00742	16.6
88.56086	1.4
93.03334	28.6
93.91133	1.7
96.95879	3.8
97.02879	1.7
99.04354	1.6
101.02322	2.4
105.03304	3.1
107.43782	1.6
109.02827	7.0
111.04414	7.4
121.02826	2.6
123.04408	3.1
125.09607	1.8
129.01855	3.7
132.02007	1.6
132.33234	1.8
133.02846	48.9
134.03651	11.5
135.04419	44.3
137.02341	9.0
140.04651	2.6
150.03157	2.6
155.03394	4.7
157.04980	4.4
159.04318	2.2
160.01556	2.2
161.02357	9.0
165.01807	2.0
172.05193	2.6
173.04503	17.8
173.05864	3.1
174.03133	3.0
177.01865	10.4
178.02644	11.2
179.03404	31.2
185.02339	2.3
188.00786	2.3
189.01581	5.3
191.05540	48.7
192.05879	3.7
199.03961	3.4
200.00810	21.2
200.04729	2.7
201.01620	14.1
201.05461	2.4
207.10132	4.6
209.11740	2.0
215.05501	13.8
218.22858	1.8
221.11798	2.3
222.08728	9.4
237.14885	1.7
269.11823	6.9
307.08203	4.4
325.21442	2.2
327.21555	2.3
351.07208	19.0
374.06149	68.7
375.06903	29.9
422.13458	3.5
425.23431	2.6
447.21677	3.2
463.21219	2.3
469.22223	7.6
473.19330	5.5
491.13596	3.1
491.20499	52.4
492.20694	6.0
493.60254	1.6
509.21490	7.0
639.39398	1.9
683.26733	100.0
684.27148	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.0
59.01246	10.9
67.86181	1.0
68.99689	3.9
69.03322	3.7
69.92802	1.1
70.56178	3.9
71.01257	8.9
72.99161	1.8
74.16160	1.1
75.00741	6.3
83.01260	1.1
83.04866	1.0
85.02835	6.1
87.00761	2.0
89.02303	6.1
90.84668	0.9
93.03330	5.6
95.01269	4.3
96.95883	4.5
97.02821	3.4
98.19847	1.1
99.00766	1.0
101.02313	11.6
108.02048	100.0
109.02902	7.4
111.04371	0.9
113.02311	4.0
117.01798	1.1
119.03384	1.3
119.04884	1.5
121.02863	5.1
123.04385	4.7
125.02290	1.5
133.02837	2.0
134.06018	6.0
135.00734	3.1
135.04379	3.0
136.01559	1.0
137.02338	1.6
147.04413	1.1
149.02313	1.9
151.03876	6.0
152.01056	91.8
153.01813	8.9
155.03397	17.7
159.04317	1.1
161.02232	1.0
163.03879	3.2
165.01862	2.3
167.03424	6.8
173.04459	2.1
179.03429	1.3
181.04947	1.6
191.05525	16.8
192.05820	1.8
195.03050	1.3
217.04956	1.6
238.08620	2.4
250.08331	1.1
252.41760	1.0
270.11264	3.4
272.09024	1.1
282.07635	2.0
407.11249	1.1
453.10349	59.8
454.10742	7.4
491.11948	1.9
509.13446	1.2
549.89447	1.1
597.24438	6.4
609.20789	1.8
641.23499	11.1
642.24286	2.0
685.19806	61.6
685.39056	10.4
686.20172	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	685.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.3
59.01249	33.7
61.98699	27.6
67.01743	1.2
69.03314	1.1
71.01250	22.0
71.58863	1.8
72.01569	0.9
72.99165	2.9
73.02788	1.1
75.00741	2.2
78.95733	1.1
83.01231	1.5
85.02821	5.8
87.00748	3.3
88.98663	1.0
89.02312	14.1
93.03319	3.9
94.46494	0.9
95.01279	1.5
96.95881	3.3
99.00726	1.2
101.02328	14.9
106.06500	2.8
109.02844	1.7
111.04417	1.0
112.98616	0.8
113.02309	7.2
119.03394	4.9
119.04881	1.5
122.06027	1.2
123.04394	2.8
125.33759	1.1
129.05435	0.9
133.02782	0.9
134.06009	23.8
135.04385	2.6
135.06361	0.9
145.03917	1.5
151.99860	0.9
152.07088	3.0
153.05437	2.6
155.03378	2.1
173.04475	2.7
179.03293	1.2
191.03758	1.3
191.05502	19.6
194.09694	1.2
195.06496	1.0
210.09157	1.9
223.06314	5.0
238.08641	7.9
239.05768	1.8
250.08673	1.8
254.08194	2.1
264.06644	1.4
266.08054	1.5
267.05368	1.8
270.11295	13.7
271.11707	1.2
282.07651	7.6
282.11237	2.5
293.27328	1.0
294.07733	3.2
314.09970	5.9
326.10501	1.5
357.16019	1.7
369.37823	1.0
370.12830	1.8
385.15506	3.9
389.18637	1.1
417.13232	1.1
417.18127	5.1
461.17035	1.1
597.24420	7.3
609.20892	1.3
641.23523	9.9
642.23767	1.7
657.22607	1.4
667.21667	1.2
685.22424	100.0
686.22766	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	685.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78101	2.0
59.01254	25.3
60.14738	2.6
62.63202	2.4
62.69029	2.1
69.26397	2.4
69.26741	27.8
71.01239	16.7
72.99165	3.4
73.44847	2.3
74.41872	2.1
83.04893	4.6
85.02814	7.4
87.00747	9.1
89.02322	14.7
93.03345	7.0
98.19727	5.3
99.00805	2.9
101.02316	15.3
113.02307	8.1
119.03361	5.2
121.31388	2.5
125.02319	6.8
135.04425	3.9
138.40973	2.2
143.03413	2.6
146.05959	2.4
151.25212	2.7
161.04504	2.6
163.11195	2.9
165.05478	3.3
165.12842	2.7
173.04521	3.6
179.05605	2.3
191.05540	28.7
192.05856	5.4
196.22069	2.7
209.11760	100.0
210.12053	5.9
223.06120	6.0
226.23296	2.3
227.12820	19.0
235.08138	5.7
287.07687	3.9
319.12079	2.8
354.09097	2.6
355.09332	3.2
361.18756	3.8
397.13513	50.6
415.14523	25.3
505.19681	3.5
525.12665	2.9
581.22400	3.0
587.02802	2.6
607.25928	4.2
685.24481	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	685.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.03309	2.1
58.00451	0.7
59.01245	13.7
61.98700	4.5
69.03322	5.8
69.95717	0.7
71.01248	10.2
71.04889	2.3
71.14546	1.4
72.99182	1.2
73.02836	1.8
80.02546	1.6
81.03321	2.5
83.01245	1.1
83.04883	2.4
85.02814	3.9
87.00745	2.5
89.02312	4.9
93.03323	2.6
95.01251	1.3
95.04880	1.2
96.95896	4.0
97.02834	4.8
97.06458	1.4
99.00738	1.6
101.02309	7.4
107.04891	1.5
109.02827	1.6
109.06470	19.5
111.73609	0.8
113.02315	3.3
117.06945	0.8
119.03361	1.3
121.06468	2.4
123.08030	1.8
125.09583	5.1
127.03858	1.0
135.04367	1.5
135.08002	2.5
137.09668	0.8
142.02586	1.6
143.03406	0.8
147.04323	0.8
151.11176	3.2
153.12720	1.4
153.98285	0.8
161.02278	1.1
161.04465	1.5
161.09598	6.3
163.11186	10.1
171.10168	1.5
173.04430	1.4
179.10696	10.5
181.12227	3.4
185.11763	1.5
189.09106	1.1
191.05521	7.5
197.11758	72.4
198.12057	2.9
207.10193	28.6
208.10571	1.2
209.11734	2.9
221.11774	0.9
223.09641	1.7
225.11261	14.8
235.08237	1.4
235.13362	1.2
241.10808	5.1
253.09195	3.4
283.70325	0.7
299.14761	1.0
364.12503	0.8
387.21585	1.6
459.18805	0.9
461.20264	1.3
463.27338	1.1
477.19733	4.3
518.81885	0.8
539.32233	0.8
625.35168	0.9
641.31854	1.7
667.29199	1.1
685.30566	100.0
686.30762	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	685.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21225	1.1
54.08626	1.3
55.01742	1.9
57.03318	2.8
58.00462	2.8
59.01244	16.7
61.98687	1.3
68.99673	2.4
69.03325	3.2
71.01240	13.9
71.58968	2.3
72.99186	3.0
73.02819	5.5
75.00726	1.8
81.03303	1.4
83.04881	2.3
85.02824	7.2
87.00764	3.1
87.23182	1.4
89.02300	9.4
93.03328	7.7
95.01247	2.6
95.04891	2.4
96.95882	5.8
97.02785	1.6
97.06451	19.1
99.04354	1.8
101.02318	8.8
109.02810	2.1
109.06407	1.5
111.00788	1.3
111.04416	1.7
113.02323	4.8
116.92755	7.3
117.92733	2.6
119.03368	3.1
120.99524	1.7
121.02848	1.4
122.03584	1.3
123.08053	2.7
125.09601	6.0
134.80196	1.2
135.04385	2.3
137.02336	1.8
137.05922	3.0
137.09590	1.4
139.07555	2.6
147.07968	1.5
149.05981	2.3
150.06763	34.4
151.07504	2.4
151.11241	1.6
152.99519	1.3
161.09583	1.6
162.06769	2.7
163.07549	7.5
164.08337	9.2
165.09100	5.9
171.10138	8.2
173.04466	3.4
177.01897	1.8
177.09067	1.5
178.09879	2.1
179.05493	2.2
179.10698	16.7
191.05521	28.8
192.05920	1.6
196.95779	1.3
197.02112	2.7
197.11670	1.4
201.11243	45.6
207.10173	3.0
209.11725	4.8
220.89209	1.2
221.11798	1.7
225.11261	4.9
239.12764	1.8
247.06924	1.4
287.16534	1.5
295.37683	1.5
300.83911	1.5
320.20053	2.2
321.20804	5.5
336.19370	2.1
351.21667	18.6
357.22812	5.0
365.23376	1.9
428.67932	1.4
441.33743	4.8
472.16290	1.5
487.34290	98.6
488.34805	11.4
504.31097	2.1
505.31705	5.8
522.31299	1.6
523.32855	6.0
531.51978	1.5
667.37268	11.1
685.37769	100.0
686.38135	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	685.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99524	1.1
57.03323	2.5
59.01249	12.4
61.98705	2.3
68.99666	1.2
69.03311	2.4
71.01241	9.5
72.99197	2.8
73.02820	5.3
75.00741	1.7
78.95791	1.4
79.52745	1.1
83.04903	2.4
85.02814	6.8
87.00756	3.0
87.04375	2.1
89.02332	7.0
93.03339	4.4
95.04900	2.0
96.95894	4.2
97.06455	13.9
99.00755	1.8
99.04408	1.6
101.02316	8.3
101.49287	1.3
108.06242	1.2
109.02872	1.4
109.06496	2.2
110.61470	1.3
111.04411	1.7
113.02336	4.6
113.05949	1.6
116.92728	8.3
119.03368	2.7
120.99553	3.1
123.08043	2.8
125.09579	8.2
127.11135	1.6
135.04465	2.3
135.08058	1.6
137.02386	1.4
137.05989	2.6
139.07544	1.4
149.05994	3.0
150.06761	47.6
155.03468	1.4
155.10667	2.0
161.04507	1.4
162.06830	2.5
163.07510	7.4
163.11261	2.0
164.08264	8.9
165.05513	1.5
165.09137	2.1
166.73438	1.2
171.10193	9.6
173.04443	3.8
177.09247	1.6
178.09779	2.2
179.03409	1.9
179.05467	2.1
179.10669	23.8
181.12134	1.2
191.05502	21.9
197.02142	2.1
197.11806	1.4
201.11237	66.4
202.11606	1.8
207.10141	2.5
209.11777	5.9
221.11684	1.9
223.09755	1.5
225.11252	3.6
254.17789	1.4
306.18286	1.7
307.19055	1.5
318.18369	1.8
320.19934	3.9
321.20798	5.3
325.20203	2.0
336.19498	3.4
350.20963	4.0
350.25150	1.4
351.21738	32.1
351.25757	2.4
352.22266	2.1
357.22714	3.1
365.23392	2.0
441.33774	3.6
487.34302	75.9
488.34393	7.2
504.30789	2.7
505.31613	10.5
506.32153	2.0
513.26794	2.1
522.32117	1.7
523.32776	4.2
667.37103	15.6
668.36835	1.8
685.37939	100.0
686.38312	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	685.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71669	0.6
57.86242	0.6
59.01247	3.3
69.03308	1.3
70.12499	0.6
71.01252	2.5
73.02801	0.9
75.00734	0.8
79.20168	0.7
85.02805	2.1
87.00765	0.8
87.04373	0.9
89.02319	1.4
93.03337	0.7
97.06470	1.8
98.20523	1.7
101.02326	0.9
111.08020	0.9
113.02337	1.1
113.05965	0.7
123.08052	1.6
125.09609	3.4
127.11128	0.7
127.31322	0.5
130.16693	0.5
133.06430	0.6
135.08047	0.9
137.09602	1.0
141.09142	0.7
149.05977	2.5
150.06758	47.4
151.07140	1.7
157.08569	1.2
161.09482	0.7
162.06706	0.8
163.07544	9.8
164.08356	8.2
171.10152	2.2
173.04356	0.7
174.15955	0.6
176.08374	0.7
178.09915	2.1
179.09103	1.3
179.10686	26.1
180.10982	1.0
187.09685	0.7
191.05544	3.7
193.08411	0.6
201.11243	26.3
202.11522	1.2
205.17465	0.6
209.11818	0.8
229.10753	1.8
302.18985	0.7
320.19894	3.9
321.20798	3.1
335.22195	1.7
336.19363	1.2
341.22980	0.8
343.21252	4.9
350.20901	0.9
351.21750	7.8
364.22388	3.9
365.23154	1.5
431.87769	0.6
441.29880	1.9
442.29871	0.8
459.31021	2.2
462.30011	3.4
477.32196	6.7
478.32645	1.2
504.31073	1.2
505.31592	2.9
522.31903	2.6
523.32684	31.3
524.33228	3.0
527.28278	0.9
667.36865	1.7
685.37982	100.0
686.38306	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	685.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82163	0.4
57.03328	0.7
59.01246	3.2
59.90001	0.4
61.98701	0.8
64.68696	0.3
64.89044	0.3
69.03333	1.0
69.33163	0.4
70.99360	0.7
71.01248	3.1
73.02808	3.1
83.01257	0.5
83.04897	0.7
85.02832	1.5
87.00742	1.5
87.47655	0.3
89.02328	1.6
93.03332	1.8
95.04912	0.5
96.95897	1.0
97.02821	0.5
97.06450	0.8
99.04402	1.0
101.02338	1.8
109.02823	0.4
111.04386	1.6
111.08021	1.0
113.02348	0.5
113.05984	0.5
119.03384	0.5
119.04910	0.5
120.99595	0.5
121.06542	0.4
123.08038	1.4
125.09570	0.7
128.03413	0.4
135.04402	0.7
135.08049	0.7
136.05203	1.1
137.02310	0.4
137.05957	0.7
137.09656	0.7
148.05167	0.7
149.05954	2.5
149.37663	0.3
150.06764	49.8
151.07135	2.3
151.11150	0.5
153.09120	0.6
155.10674	0.5
157.08604	1.7
161.09630	0.9
162.06734	1.7
163.03859	0.7
163.07552	9.4
163.11081	0.4
164.08331	9.9
165.05467	0.8
165.08995	0.5
171.10208	0.5
173.04480	1.9
176.08316	0.5
177.09163	1.7
178.09889	1.7
179.05606	0.7
179.10689	24.9
180.11000	1.0
185.00800	0.6
191.05539	6.0
192.05862	0.5
193.08627	0.7
201.11337	1.9
208.01842	0.5
209.11664	0.4
223.04266	1.2
224.34808	0.4
229.10658	0.6
292.20361	0.9
302.18900	0.4
306.07623	0.4
307.19196	0.4
313.20242	3.7
320.19897	2.8
321.20676	1.4
325.20370	0.7
335.22263	1.3
341.23346	0.7
343.21103	2.2
351.21939	0.5
364.22607	2.0
365.23047	0.5
373.85544	0.4
378.24069	0.6
386.05176	0.4
393.26434	4.4
403.10739	0.4
427.12579	0.4
431.28217	1.0
441.30237	0.8
448.28308	0.7
449.14658	0.5
449.29013	1.2
459.31042	1.0
461.32639	0.7
462.29865	1.1
475.30707	1.0
476.31516	0.6
477.32248	3.5
483.26004	1.2
492.30783	0.9
493.31595	3.8
504.30948	1.0
505.31735	4.8
506.32587	0.6
522.31818	2.3
523.32727	16.6
524.33057	1.7
655.36810	0.5
667.37152	1.6
685.38013	100.0
686.38373	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	686.256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.8
59.01247	31.3
65.00928	0.9
71.00889	1.3
71.01255	18.7
71.36353	2.1
72.99177	2.0
73.02823	1.5
80.04943	0.9
83.01293	0.9
85.02824	4.6
87.00753	1.5
89.02315	14.1
93.03311	1.9
95.01259	1.7
96.95863	2.2
101.02318	11.9
106.06530	3.5
113.02338	5.2
116.04988	1.4
119.03354	5.2
122.05995	5.9
128.99850	0.9
132.04462	6.6
134.06012	21.7
144.04427	1.1
150.05496	3.4
152.07097	5.0
158.02396	2.1
160.03906	4.5
161.04497	0.9
162.05478	1.3
174.05524	1.6
176.03571	1.8
176.07112	1.3
179.05597	1.0
190.05008	7.7
191.05525	7.4
192.06477	1.4
209.11757	4.5
210.12166	2.2
211.12305	1.3
215.11972	2.1
223.08713	2.2
224.09335	2.1
226.07469	1.0
236.09392	1.9
239.08243	1.7
239.11887	15.9
240.10324	1.9
240.12363	1.0
241.09880	2.3
250.07535	1.3
251.11890	3.3
253.06096	6.0
253.09924	1.7
254.06790	1.6
255.07632	1.4
255.11375	1.6
256.08591	1.2
263.08160	2.0
265.09720	1.2
267.07751	4.7
268.08435	3.8
271.10901	1.8
280.08548	4.2
281.09167	1.9
283.10880	46.0
284.11169	3.0
291.07773	5.1
295.10828	12.3
296.11331	2.0
305.09286	3.0
306.10107	3.2
314.12430	2.0
315.01682	0.9
323.10248	1.4
337.12073	1.1
351.07278	1.1
397.13550	1.8
398.13943	1.6
402.18427	1.5
416.14798	1.5
430.17731	5.1
486.15826	1.2
582.24634	1.3
596.73169	1.0
610.23914	19.3
611.24231	2.4
636.22748	1.3
654.22974	100.0
655.23383	17.1
686.25714	37.7
687.25964	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	686.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00443	1.8
59.01250	32.3
69.03322	2.3
71.01257	22.8
71.58615	2.4
72.99161	3.5
74.79362	1.9
83.01273	2.1
85.02795	8.6
87.00742	2.8
89.02309	18.2
93.03327	4.6
95.01254	3.4
96.95907	2.4
101.02314	18.1
106.06482	4.4
113.02316	8.4
119.03374	6.9
122.05978	6.5
132.04485	10.1
134.06013	31.3
137.02434	1.9
150.05472	5.2
152.07027	5.3
158.02333	5.2
160.03941	6.6
162.05530	2.0
173.04445	6.0
176.03477	3.2
190.05025	17.4
191.05548	13.2
198.09145	1.9
209.11737	3.6
210.12015	2.6
215.11852	3.4
223.08687	2.5
224.09502	3.3
225.36801	2.0
239.11870	19.6
240.10141	4.9
251.11781	3.9
253.06268	2.6
263.08203	2.1
267.07761	5.6
268.08572	3.2
279.07782	2.9
280.08447	4.1
283.10886	57.7
284.11215	5.5
291.07700	6.0
295.10880	17.3
306.09851	3.0
323.10266	4.1
325.12024	2.3
386.18903	3.0
402.18140	2.4
430.17844	3.9
490.03436	2.3
517.18604	2.0
610.24023	22.1
611.24353	2.8
642.26178	3.8
654.23035	100.0
655.23010	14.6
686.25531	76.5
687.25940	16.2
695.86334	2.4
696.20264	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	686.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61889	0.6
58.02829	3.0
59.01255	4.5
61.98711	1.4
66.03355	2.9
70.02822	0.9
71.01257	2.9
71.58987	1.1
72.99153	0.8
73.03941	13.5
74.02337	1.2
77.27423	0.7
80.04899	0.9
82.02840	5.0
85.02818	1.0
87.00745	1.1
87.05512	0.9
89.02319	1.4
93.03315	2.5
95.02379	3.3
96.95875	3.7
97.03960	2.3
98.02355	6.5
99.01852	3.4
99.05484	1.0
101.02319	2.1
107.02386	0.7
108.66457	0.8
109.03946	2.5
111.01846	1.4
112.05053	5.1
113.02296	0.9
113.03459	2.2
114.05431	0.7
115.05011	7.9
115.08617	4.0
116.03374	1.0
116.07034	2.0
120.51206	0.8
123.05534	3.9
124.03916	2.6
124.04965	0.8
125.03437	2.3
125.07050	1.6
126.01870	6.0
126.05513	6.5
126.06792	0.7
127.05019	17.3
127.05866	1.6
127.08696	1.0
128.03432	1.8
129.06535	1.5
129.10260	1.0
130.06120	7.0
130.08626	77.0
131.08978	1.3
134.06015	1.2
135.02829	1.0
135.04413	1.4
135.05493	0.9
137.07089	5.7
139.05022	1.0
140.07002	1.8
140.08133	1.7
140.24352	0.8
141.06590	2.6
142.06119	1.6
143.11771	1.0
144.07709	1.7
145.03973	1.6
152.04665	0.8
154.06110	2.7
154.09798	1.3
155.08156	3.5
163.05089	1.2
164.04602	0.9
166.06151	13.5
167.04529	2.7
168.08958	1.9
169.07199	2.2
169.13463	2.1
171.14900	2.0
172.07167	2.4
172.10840	2.4
173.04413	2.0
180.07680	13.0
180.10168	1.5
182.05595	1.9
183.08810	5.0
184.07201	14.7
185.16505	20.1
186.08786	1.4
187.08293	1.8
191.05519	11.2
192.05821	1.0
196.07234	1.2
197.12898	3.3
198.08734	1.3
201.09882	11.6
211.08339	3.7
211.12157	1.2
211.14467	2.9
223.08313	2.1
225.09959	1.4
226.08269	4.4
229.09415	5.4
229.15511	5.6
239.11473	1.5
240.10966	0.9
241.09363	2.3
242.18727	1.0
243.10869	3.0
258.12067	5.7
267.15659	1.0
282.12097	6.5
283.13687	0.8
284.23425	23.5
284.26544	1.5
285.23831	1.9
288.68985	0.8
300.13116	31.5
301.13644	1.1
310.21179	1.2
328.22430	3.0
341.25510	8.4
342.25555	0.9
367.23502	1.1
385.24542	10.5
398.27536	1.2
399.20447	1.4
427.25668	1.6
429.27139	1.2
469.31235	1.2
496.27914	3.6
511.25223	2.2
513.30560	4.8
612.33588	23.8
613.33826	2.3
624.34009	3.7
642.34644	85.2
643.34979	10.9
656.36383	12.5
657.36072	1.2
668.36420	3.0
686.37231	100.0
687.26678	1.5
687.37665	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	687.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71054	0.7
54.17239	0.6
55.01741	0.8
58.00450	0.7
59.00998	0.7
59.01248	11.9
59.63446	0.8
69.03323	3.9
69.40535	1.9
69.40938	6.0
71.01249	10.7
72.99174	1.1
73.02776	1.4
80.02522	2.5
81.03313	2.8
83.01246	1.7
83.04889	7.3
84.02008	2.1
85.02824	4.2
87.00735	2.8
89.02325	6.5
93.03316	3.0
95.01219	0.7
95.04897	1.8
96.95872	1.6
97.02792	2.8
99.00708	1.9
101.02303	7.4
109.06475	2.2
111.04372	2.2
113.02331	4.3
114.24390	0.7
114.82877	0.8
119.03344	1.8
120.99537	10.4
123.04383	1.2
123.08027	1.1
125.05893	0.9
125.09599	1.9
127.03850	1.0
129.01712	0.9
135.08040	1.6
137.09587	0.8
142.02548	1.0
149.04288	0.7
150.06796	3.6
151.07330	1.6
151.11153	3.3
153.09093	1.1
153.12715	1.2
161.04419	2.6
161.09534	1.4
163.07597	0.8
163.11194	8.8
165.05379	0.9
165.12715	4.2
169.12248	34.0
170.12541	1.1
171.10196	9.7
173.04391	1.8
177.08981	0.9
179.10707	4.4
181.12305	6.5
185.00777	2.7
187.31380	0.8
191.05534	12.1
191.10680	1.4
192.05771	1.0
197.11755	71.2
198.12016	2.4
199.13266	0.8
201.11160	2.1
202.11484	1.1
205.08647	1.2
207.08386	1.0
207.10201	14.5
209.11752	89.3
210.12039	5.0
213.11224	2.1
215.12891	0.8
223.09660	5.6
225.11261	46.3
226.11568	2.3
227.12831	11.8
228.13164	1.0
231.89987	0.8
235.07991	2.6
241.10655	1.5
253.09232	7.9
365.23199	3.2
366.23517	4.3
367.23651	3.9
387.38184	0.8
459.12277	1.1
459.18460	1.9
461.19800	0.8
477.19904	1.5
525.26691	1.1
651.29608	1.3
651.40472	1.0
669.30768	1.9
687.32037	100.0
688.32489	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	687.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
57.03319	1.7
59.01251	8.0
60.17766	0.4
69.03323	5.8
69.48653	4.0
71.01247	7.8
71.04897	2.1
72.99158	0.8
73.02819	1.3
80.02558	1.4
81.03337	2.4
81.03770	0.5
83.01256	1.0
83.04892	7.1
84.02029	1.7
85.02827	2.8
87.00751	1.8
89.02308	3.2
93.03345	1.0
95.01275	0.6
95.04900	1.4
97.02829	1.5
97.06459	1.3
98.19825	1.1
99.00749	1.0
101.02323	5.7
109.02826	0.6
109.06483	1.1
109.98273	0.6
111.04408	0.9
113.02315	2.8
119.03426	1.0
123.08039	1.9
125.05959	0.5
125.09612	3.8
135.04390	0.6
135.08046	1.4
137.09584	0.9
143.03394	0.6
149.09604	1.0
151.07518	0.8
151.11168	3.1
153.12755	1.1
161.04453	1.5
161.09630	4.8
163.11191	5.5
163.17383	0.6
165.12752	2.7
169.05090	0.5
171.10193	3.8
173.04465	0.7
179.10699	9.4
181.12289	1.5
191.05548	4.1
191.10724	1.2
197.11761	52.2
198.12050	2.7
199.13303	0.9
205.08621	0.8
207.10207	2.5
209.11763	76.7
210.12082	3.0
216.33514	0.5
223.09688	2.1
225.11269	3.2
227.12839	5.3
231.10326	0.6
235.08084	0.9
241.10774	4.0
243.12430	0.7
253.09262	4.7
253.25304	0.5
269.10727	0.6
350.53659	0.6
459.18726	1.5
461.20364	0.9
477.19763	1.9
507.32782	0.7
525.27209	0.9
669.31104	2.2
687.32196	100.0
688.32526	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.5
59.01242	9.6
61.98704	2.2
63.18784	1.0
64.15864	1.0
68.85610	1.0
68.99684	4.2
69.03321	1.9
69.39349	7.3
71.01251	16.9
71.04903	1.4
72.99178	2.5
73.02808	1.9
78.95763	3.3
80.02551	1.3
81.03318	2.8
83.01234	1.9
83.04900	6.3
85.02819	2.7
87.00755	1.3
89.02309	3.7
93.03301	1.3
95.04884	2.1
97.02832	2.5
97.06430	2.8
98.20538	2.4
101.02323	4.5
108.02063	1.4
109.06458	1.9
110.03558	1.2
111.00788	1.2
111.04379	7.7
113.02284	2.5
123.08068	1.4
125.09602	4.7
127.11139	1.5
135.08083	1.9
151.11143	2.2
152.99405	1.5
153.09062	1.6
161.04478	1.6
161.09616	3.8
163.11186	6.2
165.12698	2.1
171.10173	46.7
177.09047	1.2
179.10661	7.8
181.12257	1.9
185.11726	3.0
187.09601	2.2
191.05492	1.2
191.10631	1.6
195.10104	1.8
197.11761	4.4
199.09682	1.5
205.08624	12.8
207.10205	7.8
209.11757	100.0
210.12073	6.4
213.11237	3.6
223.09682	25.7
224.10016	1.8
225.11270	6.5
227.12846	14.6
235.08218	3.5
241.10823	2.8
253.09212	10.4
272.45984	1.1
415.53522	1.2
445.20773	1.1
459.18613	4.0
477.19803	2.4
495.16544	2.0
551.19464	2.7
552.19641	1.4
627.20966	7.7
628.21637	2.9
643.29657	1.6
651.30646	4.8
652.28064	1.1
669.31628	7.5
687.32532	14.9
688.32483	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	687.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75652	1.7
59.01250	14.3
61.98703	2.9
68.99684	4.0
69.03309	3.3
70.64900	6.3
71.01254	27.6
71.30802	2.0
73.02814	4.2
75.00769	1.6
78.95757	2.4
83.04893	5.2
85.02829	3.7
87.00727	2.4
89.02312	5.6
89.84334	1.6
93.03316	4.1
96.95892	7.8
97.02808	3.8
99.00767	3.2
101.02339	8.0
109.02917	2.2
109.06485	2.8
111.04391	6.2
113.02258	1.9
125.09606	4.0
151.11212	2.7
155.10742	2.0
161.09618	4.0
163.11198	5.6
164.48930	1.7
169.12199	2.8
171.10165	34.4
179.05453	2.7
179.10675	4.7
185.11743	4.3
191.05524	13.3
197.11728	11.5
199.09648	2.4
201.11240	4.6
205.08632	8.1
207.10123	9.5
209.11749	68.7
210.12154	5.0
213.11151	2.1
223.09750	20.7
225.11273	12.7
227.12820	10.3
235.08197	3.0
241.10796	3.2
253.09172	6.4
450.09381	2.0
459.18747	4.3
461.19873	2.0
651.30096	3.7
669.31250	8.3
687.39789	100.0
688.40576	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	687.3955
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03313	1.0
59.01252	5.0
61.98701	1.0
68.99675	0.7
69.03338	1.0
71.01248	4.6
72.99163	0.8
73.02803	1.6
75.00725	0.6
82.32326	0.7
83.01237	1.0
85.02827	3.7
87.00737	2.1
89.02303	2.1
91.05363	0.5
93.03321	2.6
95.01252	0.8
95.04896	0.8
96.95875	2.0
99.04386	1.1
101.02311	3.0
105.68941	0.6
109.06466	1.5
111.04408	1.2
113.02307	1.4
119.03402	1.2
120.99459	0.7
123.08015	1.9
127.03894	1.0
135.04430	1.0
135.08038	1.3
136.05180	1.6
137.91382	0.7
138.01874	3.6
139.07594	0.6
141.09171	0.5
149.06006	4.9
150.06761	47.3
151.07159	0.9
155.03409	0.9
161.09644	1.1
162.06793	1.5
163.07565	8.7
163.11203	0.9
164.08347	10.6
165.05437	1.1
171.10168	1.6
173.04417	2.9
176.08289	0.9
177.09105	1.6
178.09886	2.7
179.10696	25.4
180.11005	1.5
191.05528	15.9
197.11649	0.9
201.11169	1.5
207.10300	0.9
209.11786	3.5
223.09639	1.2
225.11380	1.5
229.49048	0.9
256.95853	0.6
313.11536	0.6
337.12225	0.6
339.05115	0.6
343.24918	1.8
345.22766	6.2
346.23129	0.6
351.22083	0.7
446.30154	1.1
451.30920	0.9
461.33078	0.7
464.31601	6.0
465.31982	1.6
478.32803	1.4
479.33734	9.9
480.34369	1.1
506.32410	2.7
507.33218	3.1
524.33472	2.7
525.34241	32.8
526.34448	4.9
687.39551	100.0
688.39960	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	689.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	12.9
61.98698	7.2
66.44521	4.5
71.01243	45.1
73.02834	4.4
78.95761	11.4
83.04906	5.3
85.02780	5.6
96.95892	11.1
97.06467	4.7
101.02319	9.5
125.09611	4.3
146.14417	4.5
163.11160	16.5
171.10149	36.7
181.12242	6.4
191.05548	14.9
200.28621	4.4
201.11197	21.1
207.10188	14.9
209.11771	100.0
210.12051	5.4
215.12843	5.9
225.11226	27.0
227.12863	14.2
235.08150	5.3
253.09244	7.3
289.18015	12.5
307.19116	23.3
345.13895	6.6
362.71616	6.2
363.74854	4.9
381.11429	19.5
394.43381	5.1
397.13321	6.4
590.70117	5.5
689.33679	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	689.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	38.6
61.98700	100.0
70.07928	24.0
70.08320	42.0
71.01246	33.2
79.60278	10.6
89.02283	17.2
97.14931	10.9
101.02317	18.3
102.36037	10.3
103.69234	9.6
121.25352	11.1
125.02351	10.4
192.00639	16.0
209.11760	26.4
212.24144	10.4
217.00296	11.8
235.08047	11.3
255.23265	51.5
397.13651	77.7
398.78439	13.3
415.14313	39.9
522.92053	12.0
547.15131	14.4
689.34900	29.2
719.65186	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90945	0.8
51.09985	1.0
56.69645	0.8
57.03304	1.3
63.02251	6.5
65.00197	5.9
68.99668	1.3
69.29768	1.6
69.30169	8.2
71.01233	1.5
83.01248	5.5
87.00707	1.1
89.02307	1.1
93.03327	2.2
95.01235	1.5
96.95862	2.7
98.19743	2.0
101.02354	1.0
107.01258	14.4
108.02061	1.0
111.00788	1.3
113.02346	1.1
117.27763	0.8
123.00749	2.6
124.01550	12.0
125.02325	9.5
137.70261	1.0
139.00240	1.1
140.10172	0.8
151.00267	42.4
151.03886	1.1
152.01051	35.2
153.01726	3.2
159.04417	1.4
165.05458	0.8
169.01338	7.8
173.04446	1.4
173.05910	1.9
175.03949	1.2
178.99771	53.3
180.00092	1.5
187.03992	1.4
187.07539	3.1
189.05444	5.8
191.05525	8.7
200.04773	4.4
201.05511	2.5
211.03847	1.0
213.05534	0.9
215.07059	34.1
216.07697	3.4
217.08568	2.0
225.05457	1.2
226.02759	1.0
227.07059	2.7
241.01431	1.1
241.04991	3.8
242.05641	2.6
243.06619	5.8
249.05188	0.9
253.04924	3.2
255.02881	2.3
261.13254	1.8
267.06525	1.8
269.07877	1.2
270.05087	1.3
271.02429	2.1
271.06107	2.3
277.08603	1.2
280.07346	1.7
291.06601	1.7
299.01892	3.4
300.02628	5.7
301.29428	0.9
305.07843	1.2
311.01910	3.5
321.04037	2.0
322.04706	1.5
333.07629	4.2
334.08026	2.3
335.12570	1.8
336.06253	2.4
337.07013	1.1
350.04105	1.6
353.06610	19.3
354.06738	1.1
357.33652	0.9
361.07187	8.4
378.07657	4.5
379.08191	23.3
380.08548	2.5
396.08426	2.7
397.09299	15.2
691.18719	100.0
692.19000	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	691.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82256	0.6
57.03320	1.3
59.01239	1.5
63.02258	6.1
65.00182	7.0
66.01568	0.7
69.30479	7.6
71.01230	1.4
83.01244	6.7
85.02793	1.1
86.77921	0.8
93.03319	1.8
95.01266	1.7
96.95884	5.6
101.02351	1.0
107.01260	14.7
111.00739	1.7
123.00753	1.6
124.01551	15.8
124.09531	0.7
125.02354	9.0
137.02313	1.1
139.00243	1.7
151.00261	47.6
152.01050	42.0
153.01709	2.4
159.04416	1.7
161.02351	0.7
161.46870	0.7
169.01332	9.2
173.04503	0.8
173.05992	2.8
175.03891	1.3
178.99771	55.9
180.00165	1.9
187.03848	1.3
187.07539	3.0
188.08383	0.7
189.01805	1.0
189.05482	8.2
191.05502	6.6
193.01208	0.9
197.05875	0.9
200.04707	4.1
201.05450	2.6
203.03391	2.1
215.07068	40.6
216.07579	3.3
217.08574	1.4
227.03354	0.8
227.07014	2.8
229.09596	0.7
232.03706	1.6
235.42657	0.8
239.07170	0.8
241.01328	1.0
241.05006	5.2
242.05684	3.2
243.02979	1.5
243.06522	5.2
253.04861	1.9
254.05783	0.7
255.02832	2.2
265.04956	0.8
265.08432	1.0
267.06686	1.7
269.04626	1.5
269.07953	0.9
270.05203	2.0
271.02567	3.7
271.06079	3.2
271.08636	0.8
273.12524	1.2
280.07254	1.7
281.08105	0.8
290.76196	0.7
292.07318	0.9
293.04645	0.9
293.08099	1.4
294.05566	0.7
295.06042	1.0
299.01782	3.5
300.02820	7.1
305.08209	1.8
306.05609	1.1
306.09048	1.3
309.07578	0.9
311.01767	1.2
311.45691	0.8
322.04739	1.9
333.07553	2.7
334.08200	2.9
335.08932	1.2
335.12582	3.5
336.06253	2.1
353.06583	5.8
361.07257	2.4
378.07394	3.2
379.08170	13.6
380.08456	1.2
396.08426	0.9
397.09259	13.1
398.09509	0.9
512.76538	0.8
559.14740	0.9
565.15723	0.9
681.71356	0.9
691.18695	100.0
692.07526	1.5
692.18976	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	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03442	0.7
55.13354	0.8
57.03318	1.9
58.14080	0.7
59.01250	7.7
67.01744	0.8
70.81538	2.1
71.01255	7.9
71.11667	0.7
73.02801	1.3
78.95764	1.1
80.02531	1.2
80.84715	0.8
81.03347	1.3
83.01266	1.1
83.04906	4.7
84.02052	1.1
85.02794	2.8
87.00742	2.5
89.02302	3.3
93.03313	4.0
95.04882	1.8
96.95887	1.1
97.06475	4.9
101.02328	5.3
113.02357	2.3
116.65835	0.9
119.03369	1.1
123.04329	1.0
125.09623	1.5
134.82556	0.7
149.09564	0.8
151.11185	18.6
161.04469	1.7
163.07516	1.0
163.11205	3.6
165.12724	2.1
169.12241	88.4
170.12598	3.7
171.10176	1.6
173.04410	2.8
191.05528	18.8
191.07051	0.7
191.10680	1.5
195.10252	2.1
196.61734	0.8
197.86250	0.7
201.11247	1.2
209.11758	62.8
210.12061	3.2
213.11252	14.8
227.12817	5.4
235.08134	1.4
253.09201	4.6
283.49969	0.7
293.21082	1.8
307.18906	1.1
325.20203	2.6
326.20398	1.5
370.60861	1.0
431.19113	1.5
449.20401	5.4
641.31653	3.2
659.32806	100.0
660.33099	15.1
691.35822	7.5
692.35938	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	691.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11286	0.5
57.00965	0.5
57.24807	0.5
58.00463	0.6
59.00990	0.5
59.01236	3.4
61.98696	0.5
65.00190	0.6
69.64545	0.5
71.01240	3.3
73.02793	0.6
80.02554	0.8
81.03297	0.7
83.01273	0.6
83.04890	4.3
84.02036	0.8
85.02811	2.0
87.00758	1.2
87.83621	0.5
89.02301	2.0
90.91486	0.5
93.03319	2.3
95.04933	1.0
96.95879	1.4
97.06466	0.5
98.20552	1.1
101.02290	2.9
101.07561	0.4
111.04398	0.5
113.02300	1.5
119.03380	0.8
125.05968	0.9
125.09625	0.7
127.03889	0.6
127.11142	1.3
128.03394	0.5
135.04433	0.9
135.08000	1.0
137.02269	0.7
151.00238	1.1
155.10622	0.6
158.21996	0.5
161.04430	0.9
163.11191	3.2
165.09058	0.6
165.12735	1.8
171.10147	2.0
172.10474	0.8
173.04492	2.1
173.21227	0.5
181.12379	0.8
191.05528	12.6
191.10774	0.8
199.03947	1.5
201.11247	21.7
202.11642	0.8
207.10045	0.7
209.11754	100.0
210.12100	5.9
215.03497	0.7
225.11116	0.8
227.03432	1.0
227.12852	12.9
228.13269	0.8
235.08206	1.8
241.01405	0.8
243.02905	2.5
253.09219	8.1
255.02953	3.3
270.01706	0.9
271.02438	7.2
272.02841	0.7
299.01944	15.4
300.02689	13.8
301.03149	2.2
375.21854	0.7
437.19894	0.9
445.20755	1.9
463.09125	0.8
463.21893	0.6
594.12030	5.6
595.12665	0.8
638.54175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01730	0.5
57.03311	0.6
58.00463	0.7
59.01248	16.5
61.02200	0.3
67.01737	0.6
69.03312	1.2
69.53975	2.2
71.01250	14.8
72.99171	1.2
73.02811	1.8
75.00734	0.6
78.95779	0.5
81.03315	0.5
83.01246	1.5
83.04872	0.4
85.02811	3.3
86.08671	0.3
87.00748	3.5
89.02308	10.8
93.03338	2.4
95.01254	0.9
95.04881	0.4
96.70300	0.3
96.95897	0.7
97.02813	1.8
99.00723	0.8
99.31425	0.2
101.02318	9.7
109.02836	0.3
111.00726	0.3
111.04382	0.3
112.38189	0.3
113.02328	4.8
113.03135	0.4
113.09578	0.3
119.03394	3.2
125.02328	3.3
131.03389	0.5
133.04942	0.5
135.04361	0.4
139.03917	0.4
141.01740	0.3
143.03384	2.1
146.87868	0.3
152.99452	0.4
155.03366	0.4
161.04468	2.0
171.10129	0.3
173.04521	1.4
179.03952	0.5
179.05481	3.0
179.14366	0.6
181.12177	0.3
183.10117	0.5
185.04405	0.3
187.07590	0.6
191.05537	8.9
192.05890	0.5
192.86481	0.3
195.13831	7.0
196.14293	0.6
201.05656	0.3
205.12263	0.7
209.11761	1.3
211.13344	0.6
219.99466	0.3
221.06573	0.6
223.13306	5.2
224.13676	0.3
225.11310	0.4
228.13664	0.8
231.10184	0.3
231.21010	0.3
235.08156	3.6
253.09297	1.4
256.13144	1.2
263.07623	0.4
265.21713	0.4
275.20132	3.5
287.07742	0.6
288.08444	0.3
293.21198	100.0
294.21548	8.2
305.08643	0.6
306.09134	0.3
323.09705	0.7
338.05295	0.3
397.13452	20.7
398.13608	1.4
415.14536	23.4
416.14899	1.7
416.19696	0.3
432.20615	0.3
614.05261	0.3
654.27386	0.3
659.26819	0.7
691.35284	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	691.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.9
60.16317	1.5
66.85188	1.3
73.52668	1.9
78.95774	42.8
81.03335	1.5
83.04878	8.0
95.04915	1.5
96.48180	1.5
96.96857	4.3
98.20654	2.6
110.89916	1.5
125.06001	2.0
139.84813	1.9
145.81381	1.6
152.99487	58.9
163.11188	7.9
165.12759	4.4
167.01065	1.6
171.00565	8.5
188.78381	1.5
191.10724	2.0
199.13348	1.9
209.11772	100.0
210.12117	7.5
211.78706	1.4
225.11226	2.0
227.03151	6.3
227.12836	11.8
245.04233	1.5
253.21695	23.5
255.23454	2.3
279.23325	2.0
363.12030	6.2
437.15564	5.5
455.16849	93.3
456.17148	9.0
691.38141	63.0
692.38611	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	693.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.2
60.30635	0.7
60.99189	1.3
61.35744	0.8
63.02222	0.7
67.01765	4.4
68.99687	0.9
69.03334	1.0
71.01240	3.8
73.02793	0.8
79.55852	0.6
81.03339	0.8
85.02818	6.9
87.00745	8.2
93.03333	34.5
95.37320	0.6
96.95886	1.2
99.00751	1.1
99.04401	1.0
101.02319	2.0
105.03329	4.0
107.04886	0.8
109.02843	4.3
110.28818	0.8
111.04411	6.3
113.02340	1.4
119.80727	0.6
121.02842	0.9
123.04377	1.8
127.03933	2.2
129.01810	0.7
133.02849	33.2
135.04414	20.8
149.02362	1.5
150.03088	1.1
151.03954	1.0
155.03409	2.1
159.04419	0.7
160.01518	0.8
161.02353	3.3
173.04474	21.3
174.04688	1.0
177.01866	7.3
179.03419	4.8
191.05531	100.0
192.05865	3.3
205.05046	0.8
213.05556	1.2
215.05521	8.1
229.01454	0.9
229.62088	0.7
235.06122	1.1
249.05594	0.9
249.52179	0.7
250.06262	0.8
257.04657	0.9
258.85510	0.6
267.06598	2.2
269.08170	0.8
277.05048	0.8
285.04019	6.3
290.05853	2.2
295.06024	4.6
306.05020	0.7
307.08228	0.9
313.07239	1.2
321.07584	2.2
339.04852	3.8
351.02856	1.6
351.07202	29.3
352.07758	1.8
353.08710	9.1
356.94925	0.9
395.09802	0.8
423.40231	0.8
457.11285	2.0
459.09201	9.1
460.09869	1.2
487.12451	2.3
501.10370	2.8
513.13812	1.7
621.14490	10.4
649.17938	1.7
679.67853	0.8
693.18286	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	693.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13206	0.5
59.01243	2.3
60.99165	1.5
62.96830	0.6
63.02257	0.6
67.01758	4.2
69.03317	1.0
71.01250	3.4
71.07047	0.9
71.07379	1.0
73.02800	1.5
79.46778	0.5
83.04883	1.2
85.02828	7.5
87.00748	8.7
89.02322	0.7
91.05398	0.7
93.03331	34.3
95.04925	1.7
96.95856	0.8
99.04371	0.8
101.02307	1.8
105.03343	5.7
107.04919	2.8
109.02825	9.2
111.04396	6.7
113.02345	0.8
115.07384	0.5
117.03378	0.5
121.02880	0.8
123.04428	3.4
126.28528	0.6
127.03888	2.0
129.01797	1.1
133.02847	51.5
134.03204	0.9
135.04411	55.7
136.04730	1.6
137.02315	0.9
147.04401	1.1
149.02338	1.9
150.03139	2.2
151.03882	2.5
155.03398	1.7
159.04457	0.6
160.01512	0.6
161.02368	2.5
173.04460	24.7
174.04787	0.7
177.01845	17.6
178.02367	1.2
179.03415	7.3
191.05531	100.0
192.05873	2.9
193.64650	0.6
195.02817	0.7
204.01942	0.5
212.75475	0.5
213.05591	0.5
215.05548	25.2
216.05815	0.7
223.06001	0.9
235.06172	0.7
239.07089	0.8
241.05109	1.0
267.06561	0.8
269.08167	1.7
277.04987	0.8
285.04016	1.2
295.06116	5.7
307.08344	3.3
313.07077	2.3
339.05035	1.7
341.08768	1.7
351.07187	82.3
352.07596	5.9
353.08728	7.3
354.08981	1.0
395.09930	0.8
457.11319	2.6
459.09329	3.1
476.13788	0.7
487.12531	3.6
501.10504	1.7
574.15570	0.7
621.14844	3.0
649.17877	2.3
650.17859	0.8
693.16522	1.3
694.65405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25604	0.5
55.01745	0.5
55.55456	0.4
57.03310	0.8
59.01242	2.1
60.99177	2.5
63.02260	0.8
65.03841	0.5
67.01756	5.1
68.99654	0.6
69.03323	1.4
71.01244	4.8
73.02809	1.6
77.03837	0.5
81.03329	2.2
83.01244	0.9
83.04885	1.5
85.02818	9.5
87.00746	10.7
91.05396	1.1
93.03333	41.1
94.03683	0.7
95.04893	2.1
99.00745	1.0
99.04369	1.0
101.02309	2.4
105.03330	6.5
107.04894	2.3
109.02831	9.4
111.04394	8.4
111.79211	0.5
113.02308	0.9
117.03326	0.6
121.02832	0.7
123.00724	0.5
123.04395	3.1
125.02354	0.5
127.03922	2.8
129.01767	0.7
130.06519	0.8
132.02069	0.9
133.02846	56.5
134.03442	1.0
135.04410	56.4
136.04765	1.6
137.02321	1.2
143.04932	0.5
145.02811	0.7
147.04396	0.9
149.02298	0.6
150.03119	2.0
151.03922	1.5
155.03415	2.3
159.04448	0.7
161.02368	2.8
171.02907	1.1
173.04462	26.5
174.04782	0.6
175.07442	0.5
177.01843	17.5
178.02330	0.5
178.86823	0.6
179.03398	6.9
191.05528	100.0
192.05885	3.4
213.05605	0.9
215.05540	24.5
216.05934	0.9
239.07204	0.6
241.05003	1.4
249.05745	0.7
253.04974	0.8
257.04486	0.6
267.06583	0.8
269.08194	1.4
285.03973	3.6
292.11884	1.7
295.06046	5.0
307.08218	3.1
313.07104	0.7
336.10873	1.5
339.05048	1.7
341.08743	0.9
351.07184	86.4
352.07510	6.9
353.08722	6.3
395.09830	1.0
457.11343	3.6
459.09299	4.7
460.09680	0.6
487.12546	3.2
501.10593	1.1
550.40131	0.6
621.14520	8.6
621.23755	0.8
622.14539	0.7
649.17676	2.5
693.16650	1.8
694.17114	0.8
717.47461	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	693.167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90456	0.2
56.94735	0.2
59.01246	3.5
66.59914	0.2
67.01754	0.8
68.99685	0.2
69.03328	0.4
69.58862	1.8
71.01249	3.8
72.99185	0.2
73.02811	0.5
73.68742	0.2
81.03325	0.8
84.16512	0.2
85.02816	6.3
87.00748	5.1
89.02315	1.3
93.03327	5.4
94.03669	0.3
96.95905	0.6
97.06458	0.3
97.28827	0.2
98.71078	0.3
99.00742	0.6
99.04432	0.2
101.02310	1.5
109.02842	0.8
111.00753	0.6
111.04401	1.2
113.02338	0.9
115.00249	7.4
116.05053	0.3
117.03277	0.2
119.03353	0.5
122.06021	0.3
125.02324	0.3
125.09589	1.1
127.03883	1.3
133.02844	5.3
134.05957	1.1
135.04407	5.6
137.02348	0.3
139.00250	0.8
139.03867	0.2
143.03403	0.4
155.03406	0.6
156.70651	0.3
157.01314	1.3
158.02348	0.3
158.06017	0.3
160.01578	0.4
161.02338	3.3
162.05550	0.3
171.02975	0.3
173.04459	4.0
175.02388	10.4
177.01851	2.1
179.03400	3.1
190.05002	2.5
191.05528	100.0
192.05833	3.5
215.05560	0.8
225.14876	1.4
251.12779	1.0
307.13934	0.7
314.12442	0.3
337.11951	0.9
341.08920	0.3
351.07211	6.2
352.07458	0.6
353.08743	17.2
354.09180	1.4
395.09732	2.1
425.10950	0.3
455.11838	0.8
487.12454	1.0
513.13928	1.2
515.14325	0.4
517.18268	6.3
518.17975	0.5
519.19116	0.3
545.17767	0.3
547.19476	0.4
557.17737	0.4
559.19342	0.4
575.19299	1.2
575.27087	0.3
577.20001	1.5
593.19910	0.4
595.61462	0.3
621.13922	0.4
633.19421	0.6
649.27087	1.1
693.16559	3.3
694.17004	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	693.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.0
58.13551	0.4
59.01250	4.3
60.99178	3.0
66.17610	0.4
67.01759	7.7
69.03321	2.5
69.33295	3.6
69.33708	0.9
71.01247	6.2
72.99172	0.8
73.02811	1.2
81.03316	1.5
83.04907	1.6
85.02824	8.7
87.00747	9.4
89.02325	1.3
93.03333	56.0
94.03673	1.0
95.04876	0.9
96.95893	2.3
98.20561	0.7
99.00743	1.5
99.04389	1.8
101.02308	2.0
105.03355	1.9
107.04896	0.7
108.02088	0.5
109.02837	3.3
111.04414	7.2
113.02325	2.6
115.03913	0.5
121.02804	0.6
123.04365	1.0
125.02359	0.6
127.03886	1.9
129.01826	1.0
132.02051	5.1
133.02852	18.3
134.03714	2.8
135.04410	17.5
136.04733	1.1
137.02344	1.5
143.03435	1.1
146.03618	1.0
149.06000	0.6
150.03162	0.9
151.03885	1.4
155.03380	2.1
157.02789	0.4
160.01559	15.9
161.02351	6.8
161.05936	0.9
162.03149	0.8
163.03868	0.4
171.02936	0.8
171.04376	0.6
173.04463	25.5
174.04836	0.6
175.03883	0.8
177.01839	9.1
177.05460	2.3
178.02577	3.3
178.99843	0.6
179.03412	7.9
185.02335	2.7
191.05531	100.0
192.05865	3.4
193.04984	6.6
194.05347	0.6
203.03426	1.2
215.05553	5.9
220.03712	2.3
221.04347	0.6
271.09848	0.6
295.10046	0.5
300.09769	0.5
308.09158	0.5
321.07608	3.9
339.08676	7.9
340.09045	0.8
351.07172	18.1
352.07568	1.5
353.08673	1.3
355.07324	1.0
367.10324	4.0
368.10452	0.5
381.09695	5.0
382.09827	0.6
444.44400	0.4
501.13974	12.4
502.14664	1.0
513.13959	20.6
514.14246	2.3
519.15027	0.9
534.40314	0.4
572.76044	0.5
675.89282	0.5
693.20306	36.5
694.20697	6.0
708.82166	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	693.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67164	0.3
51.75798	0.3
52.02551	0.4
55.01490	0.3
55.01744	0.3
57.03311	1.2
58.00470	0.6
59.01251	13.9
60.99174	0.3
61.98680	0.6
66.72138	0.3
67.01752	0.8
69.03329	1.0
69.81734	0.5
69.82018	1.7
71.01250	12.2
72.99171	1.0
73.02814	1.4
75.00716	0.3
78.95770	1.0
81.03330	0.9
83.01260	1.2
83.04881	0.5
85.02824	4.4
87.00752	3.3
89.02316	8.6
93.03337	5.8
95.01254	0.8
95.04886	0.3
96.95882	2.6
97.02825	1.7
97.06428	0.4
99.00761	0.8
101.02316	8.1
109.02849	0.4
109.06482	0.5
111.00755	0.6
111.04385	0.9
113.01605	0.4
113.02336	4.1
113.09620	1.4
115.03844	0.3
119.03387	2.5
121.02888	0.6
121.06339	0.3
123.04395	0.3
125.02338	2.7
125.09611	0.4
127.03894	0.4
129.01788	0.4
131.03389	0.8
133.02841	1.2
134.03603	1.5
135.04446	1.5
137.02328	1.0
139.03935	0.5
143.03409	2.0
143.06862	0.2
149.04472	0.5
152.99500	0.6
155.03372	0.6
160.01561	0.4
161.04474	1.8
161.05678	0.2
163.11150	0.4
171.02789	0.3
171.10234	0.5
173.04463	5.3
177.01836	1.0
177.12791	0.4
178.02621	1.6
179.03369	0.4
179.05486	2.0
179.14267	0.6
181.12288	0.4
191.05531	14.2
192.05856	0.8
195.13832	12.5
196.14230	0.8
199.09666	0.6
201.11223	0.5
207.10229	0.7
209.11810	1.5
211.13373	0.6
221.06679	0.5
223.06158	0.3
231.10205	0.7
235.08179	2.7
251.23869	0.3
253.09186	1.1
257.08038	0.4
263.07779	0.5
275.09094	1.6
277.21695	11.6
278.21890	0.7
279.23648	0.3
287.07629	0.6
295.22763	100.0
296.23123	7.3
305.08698	0.8
320.94559	0.3
325.20193	0.5
351.07135	0.6
394.97333	0.3
397.13486	19.6
398.13727	1.3
415.14557	19.3
416.14725	1.5
449.14508	4.3
450.15070	0.5
477.35944	0.3
693.27264	0.4
693.37903	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	693.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65004	0.9
57.03316	2.3
59.01246	100.0
60.50046	1.0
61.98697	4.8
67.12840	1.1
70.16385	4.1
71.01250	1.6
78.95755	3.0
83.04882	2.9
85.02776	0.9
93.03346	1.2
98.20489	1.6
107.04878	1.1
109.06458	1.9
121.02799	1.5
123.08055	1.1
147.08058	1.2
150.06712	1.4
159.59351	0.9
171.10179	1.3
187.11215	1.0
191.05542	1.9
211.13309	1.5
218.35213	1.0
231.13800	4.2
281.19104	3.3
292.18231	2.3
307.20728	1.8
325.21701	27.1
326.22064	1.1
327.21799	1.9
342.21884	2.4
343.22714	30.4
344.22934	2.5
365.24875	1.2
383.25540	1.4
385.17810	1.3
391.26208	1.3
409.27341	2.0
419.35037	1.1
446.38953	1.2
482.78186	1.2
492.99860	1.0
499.20972	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	693.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11133	0.9
57.03311	3.1
59.01247	100.0
60.01578	1.2
61.98698	2.5
69.03319	1.7
69.31423	1.5
69.31836	7.6
71.01251	1.8
78.95762	7.3
79.05387	1.4
83.04894	3.2
87.00746	1.5
93.03302	2.9
96.95901	2.2
107.04885	2.4
109.06454	1.3
121.02843	1.9
123.08025	2.8
132.05644	1.2
133.06467	0.9
135.04366	1.2
135.08040	1.4
142.03688	1.0
150.06741	4.0
152.99467	3.8
163.11176	1.2
173.04495	1.5
173.09525	1.2
187.11226	1.2
189.12669	1.4
191.05537	2.9
201.12872	1.5
209.11508	1.0
231.13899	3.2
241.15881	3.0
281.19104	6.3
292.18332	2.5
307.20578	4.5
309.18707	1.0
325.21689	45.5
326.22015	3.6
327.19797	1.0
342.21918	5.4
343.22736	41.2
344.22974	3.2
383.25848	1.8
599.45880	1.2
693.19287	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	695.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01579	0.9
70.90997	1.3
70.91374	1.3
78.95772	13.5
79.95585	1.0
80.28053	0.6
80.96388	5.0
94.97976	1.9
102.67081	0.5
134.97441	0.5
143.21373	0.7
164.98495	0.9
169.19086	0.5
187.49570	0.5
194.19824	0.6
205.15854	1.3
217.81790	0.6
225.00616	1.9
695.30634	42.6
696.31110	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	695.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
58.00472	0.9
59.01249	10.0
59.67181	0.8
61.98697	1.2
67.01754	2.5
68.99679	14.7
69.03321	4.8
70.00012	0.9
70.55746	2.2
71.01242	7.0
73.02821	1.2
79.01756	1.1
79.85445	0.7
83.04905	1.1
85.02815	2.9
87.00743	1.8
89.02317	3.4
93.03320	5.7
95.01262	33.1
95.04891	1.5
96.95877	9.8
97.02807	1.8
97.06452	1.2
101.02321	34.7
105.67921	0.7
107.04884	0.9
108.02081	2.0
109.02851	0.8
109.06460	3.1
111.04388	1.0
111.08024	2.3
113.02374	1.7
116.92764	5.8
119.03388	1.1
121.02832	4.4
123.00780	1.1
123.04407	63.5
123.08041	2.5
124.04733	1.8
125.02305	0.9
125.09600	2.4
127.03867	1.5
135.04407	1.5
137.09610	1.2
139.11171	2.0
149.02345	7.9
149.05991	1.6
151.11176	1.3
155.03398	100.0
156.03717	3.5
161.04439	1.1
163.03870	0.9
164.04666	2.9
171.10211	1.9
173.04460	3.1
175.03906	1.3
177.12740	1.1
179.10605	1.0
181.04880	2.2
190.02644	0.8
191.05533	10.3
192.05922	0.9
193.01253	1.2
193.04922	1.2
199.13307	4.2
201.11237	6.1
205.04967	1.3
208.03702	2.0
209.11760	3.3
211.13438	0.9
213.11255	3.0
221.11693	1.5
223.06104	8.1
223.13289	1.2
225.07625	13.7
227.12810	1.0
235.13258	1.1
245.18987	2.3
247.32431	0.8
249.15007	1.2
289.18097	13.9
290.18433	1.4
291.19611	6.5
305.17346	1.1
307.19119	21.8
308.19437	1.9
309.20734	4.3
313.17966	2.1
325.16617	1.2
325.20148	18.6
326.20425	1.1
327.21738	0.9
331.19141	8.3
332.19424	1.3
349.20151	3.3
363.21719	0.9
367.21176	1.1
380.58322	0.9
391.21106	1.1
397.22171	1.1
427.23196	2.6
495.46518	1.0
539.28595	2.9
635.40411	1.0
695.32104	16.1
696.33478	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	695.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61034	0.5
53.04685	0.5
55.01759	4.9
57.03318	3.3
58.00463	1.4
59.01248	79.3
61.98709	0.6
62.57555	0.5
63.91222	0.5
69.47254	4.7
71.01250	37.5
72.99181	1.7
73.02817	14.9
75.97764	0.6
79.78635	0.5
80.21240	0.5
83.01255	8.6
83.44708	0.5
85.02821	21.2
87.00764	1.7
89.02312	5.3
93.03346	1.4
95.01279	3.1
96.95895	0.7
97.02840	1.6
97.06462	3.6
99.00753	6.1
101.02316	43.8
113.02319	14.9
113.03054	1.1
116.92752	4.3
119.03383	1.3
122.08073	0.6
125.02343	0.9
129.01886	0.8
143.03418	2.2
149.21594	0.7
155.03452	1.1
159.02899	3.8
161.04460	27.0
191.05524	1.9
205.03462	1.0
424.37427	0.6
471.34937	0.7
473.36258	4.4
517.35321	3.1
533.38306	0.8
635.41608	100.0
636.41858	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	695.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67364	0.3
55.01762	0.6
57.03326	0.8
59.01248	100.0
59.30801	0.3
60.01587	1.0
60.84494	0.3
61.98708	1.5
66.79259	0.3
67.01752	0.4
68.99679	0.3
69.03340	0.5
70.92409	0.3
70.92732	0.5
71.01250	9.9
72.99192	0.7
73.02816	2.3
75.00757	0.5
76.25062	0.3
78.95783	0.3
83.01255	1.7
83.04893	0.4
85.02810	5.8
86.03129	0.3
87.00758	1.4
88.93051	0.3
89.02293	1.4
93.03325	3.0
95.01235	0.6
96.95884	2.3
97.02825	0.5
97.06450	0.4
98.20450	0.3
99.00746	1.4
101.02315	8.0
103.03655	0.3
109.02846	0.5
111.00750	0.5
111.04420	0.7
113.02317	4.2
116.92738	0.5
125.02272	0.3
127.03928	0.5
129.01865	0.5
135.02919	0.3
135.04408	0.7
137.02315	0.5
141.23143	0.3
143.03391	0.6
147.04442	0.4
150.04085	0.5
153.50638	0.3
155.03468	0.4
159.02933	1.2
159.04263	0.3
161.04454	9.3
161.05820	0.5
171.10117	0.3
171.46918	0.3
173.04485	2.3
190.99835	0.4
191.05530	13.9
192.05960	0.9
201.05708	0.3
205.03535	0.6
206.02213	0.4
207.10310	0.3
209.04509	0.5
209.11752	0.6
211.13326	0.4
213.11194	0.3
215.07164	0.3
262.55566	0.3
345.16153	0.3
485.22195	0.3
635.41638	10.3
636.41895	2.1
677.28418	1.3
678.29108	0.4
679.40576	5.5
680.41797	0.5
695.26697	0.4
695.31073	0.4
695.44043	4.8
696.26788	0.3
696.44189	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	697.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01589	0.8
61.98717	0.3
69.99347	1.1
71.01273	0.5
73.02853	0.2
81.03331	0.2
85.02819	0.5
87.00759	0.4
93.03322	1.1
96.95896	0.6
101.02332	0.3
116.92796	0.3
121.02829	2.2
122.90678	0.2
123.04437	0.4
123.08031	0.2
125.09633	0.2
127.28050	0.2
128.62291	0.2
133.02879	0.3
134.03641	0.2
135.04430	0.8
137.02304	0.3
155.03424	0.3
171.10165	0.5
173.04463	0.6
179.03445	0.3
191.03467	0.9
191.05563	2.4
209.04434	1.5
209.11719	0.2
210.04877	0.2
289.18143	0.4
291.19678	0.5
309.20682	0.9
352.07877	0.2
368.94986	0.2
475.48465	0.3
593.12769	0.9
612.59644	0.2
661.28784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	0.7
59.01250	14.6
67.01744	2.0
68.99687	16.9
69.03324	1.9
69.26251	5.0
71.01247	8.2
72.99187	0.9
73.02814	1.4
85.02821	2.3
89.02314	8.4
94.32217	0.4
95.01259	36.7
95.04892	0.6
96.01607	1.2
97.02830	0.8
98.20518	1.0
99.00758	0.6
101.02320	25.0
102.02645	0.5
105.92863	0.6
113.02326	3.1
119.03406	3.5
121.02856	1.4
123.00810	1.1
123.04401	26.4
124.04748	0.9
127.03881	1.5
133.61548	0.6
155.03398	100.0
156.03734	3.5
161.04573	0.6
179.05525	1.5
191.05539	1.4
215.09004	0.6
266.38559	0.5
296.14322	0.5
309.11853	0.7
358.56461	0.6
418.05557	0.6
433.17365	9.0
434.17636	0.8
463.59476	0.6
465.16074	37.2
466.16293	3.5
485.16287	1.2
503.18057	1.1
517.19025	0.7
535.20319	8.6
536.20508	1.2
692.41046	0.7
697.25732	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	697.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62720	0.3
52.57673	0.3
56.05187	0.2
57.03298	0.3
58.00451	1.1
59.01248	17.5
60.01563	0.3
67.01746	1.2
68.99684	25.0
69.03324	1.7
69.67252	1.8
71.01249	13.3
72.99191	1.8
73.02808	0.9
76.44051	0.2
79.01764	0.5
83.01244	0.4
85.02820	3.1
87.00761	0.9
89.02312	12.8
93.03338	0.3
95.01257	35.3
95.04899	0.6
96.01608	0.5
96.95871	0.6
97.02842	1.3
99.00767	0.6
101.02319	39.7
102.02638	0.5
108.02044	1.1
109.02883	0.3
111.04437	0.4
113.02330	3.9
119.03380	5.7
121.02832	0.8
123.00765	1.1
123.04405	34.0
124.04728	1.3
125.02390	0.3
127.03892	1.0
131.03377	0.7
135.04330	0.4
143.03395	0.8
149.02361	0.7
149.04472	1.0
149.05991	0.5
155.03403	100.0
156.03745	3.5
161.04477	1.0
163.03955	0.3
165.05508	0.3
175.03925	0.9
179.05501	2.5
185.80782	0.3
191.05528	1.3
193.05026	0.4
221.58952	0.3
228.26344	0.3
407.03165	0.3
433.17191	14.4
434.17505	1.2
465.16095	40.9
466.16446	3.1
485.16574	3.1
497.32565	0.3
503.17554	1.8
517.19269	1.4
535.20270	14.0
536.21027	1.9
624.88812	0.3
635.14130	0.3
665.23102	0.8
667.03070	0.3
697.25781	2.9
698.25507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	1.0
59.01245	16.9
66.18963	0.4
67.01756	1.5
68.99304	0.9
68.99683	17.7
69.03320	1.8
69.80402	2.6
71.01247	10.0
72.99168	0.9
73.02807	1.2
78.00607	0.4
78.45627	0.4
79.01761	0.6
83.01234	0.5
85.02814	2.6
87.00748	1.1
89.02316	11.7
93.03320	1.4
95.01258	28.0
96.01577	0.5
96.95869	0.5
97.02811	1.5
101.02319	34.3
111.04431	0.5
113.02328	3.8
119.03400	4.4
121.02849	1.1
123.00764	0.7
123.04404	34.1
124.01546	0.4
124.04754	0.7
125.02358	0.6
127.03901	0.9
131.03377	0.5
133.02831	0.5
135.04414	0.4
136.01541	0.5
139.03969	0.8
143.03433	0.6
149.02376	0.7
149.04494	0.7
149.05962	0.7
151.03864	0.4
155.03398	100.0
156.03777	3.2
160.03902	0.5
165.05476	0.5
173.04453	0.8
175.04036	0.7
179.05499	1.4
191.05560	4.3
195.06622	0.9
197.04414	0.4
264.53165	0.4
310.09409	1.4
373.12976	0.5
433.17334	11.2
434.17429	1.4
465.16098	39.1
465.68118	0.4
466.16379	3.1
475.17892	0.6
485.16803	1.3
503.18039	0.5
517.19318	1.2
520.67267	0.5
535.20343	9.9
536.20410	1.2
697.25488	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	697.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13432	3.0
59.01249	15.4
61.98693	19.6
67.02362	3.4
69.41191	27.4
71.01237	4.9
78.95747	9.0
88.30325	3.5
89.02306	4.0
101.02288	5.5
112.19117	3.7
119.65635	4.4
161.02458	4.5
161.29524	4.4
163.00256	21.1
176.01059	24.1
177.01932	7.6
190.99770	56.6
191.03421	27.1
191.05380	6.8
192.00473	5.6
201.11235	38.6
207.10262	3.6
221.11537	3.9
235.08261	4.4
253.09206	5.1
253.21753	4.7
277.21661	28.4
292.31027	3.5
294.01611	4.3
311.22363	6.4
317.21237	13.8
347.12607	3.6
359.81979	3.5
389.13809	7.4
445.19070	3.5
461.19858	3.7
491.24356	71.4
492.24835	7.6
557.02448	4.0
608.47284	3.8
621.24652	12.6
682.24084	7.1
697.26416	100.0
698.26672	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	698.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57564	0.4
58.00416	1.0
59.01175	17.7
59.01509	1.9
60.01539	0.5
71.01169	10.1
71.01600	1.0
71.13046	1.0
72.99097	2.2
73.02774	0.7
74.51704	0.5
80.04836	2.3
81.04692	0.5
83.01208	0.8
85.02818	3.5
87.00656	1.3
89.02312	8.9
91.97797	0.4
93.03236	1.5
95.01166	1.2
96.95822	0.9
97.02757	0.4
97.59988	0.4
99.00658	0.9
101.02321	6.3
104.04851	1.0
106.06500	4.0
108.04406	2.3
113.02320	4.0
118.06442	0.5
119.03398	2.8
121.05117	0.6
122.05880	1.6
130.06412	0.8
132.04306	1.4
134.06004	17.2
135.04341	1.0
135.06285	0.8
136.07591	2.0
146.05870	1.9
148.03781	0.5
148.07474	0.9
152.07083	3.8
160.03830	1.0
160.07463	0.6
161.04515	0.5
162.05429	0.7
173.04408	1.5
174.05374	1.4
180.06593	2.4
182.73663	0.5
186.05333	1.0
188.07108	6.1
189.07140	0.5
191.03987	0.5
191.05505	6.1
209.06924	0.5
210.07837	0.8
211.08551	1.9
223.08676	0.9
223.12189	0.7
224.09364	0.7
225.10219	3.6
226.64627	0.4
227.11786	2.2
235.08521	1.3
236.09372	1.0
237.10077	1.9
238.07245	1.7
239.08078	0.9
239.11824	2.1
249.06415	0.6
249.10170	1.5
251.08200	4.2
251.11818	2.7
252.08989	2.4
252.11612	0.4
253.07510	0.5
253.09766	7.1
254.10071	0.7
260.80130	0.5
263.08194	2.0
264.09033	2.1
265.09747	3.4
266.10382	1.4
267.11359	5.7
277.09848	3.5
278.06772	1.3
278.10181	0.6
279.07581	5.2
279.11176	5.9
280.08240	0.9
280.11530	0.4
287.11475	0.4
289.09668	0.7
291.07492	1.0
292.08475	4.3
293.09296	8.7
294.10071	3.6
295.07458	0.6
295.10846	13.2
296.11011	1.2
305.09283	3.6
306.09409	0.5
307.07611	0.7
307.10849	9.9
308.11093	1.0
314.12158	1.3
321.08710	5.9
323.10034	1.0
333.08884	2.5
335.09637	0.4
339.09906	4.5
340.10046	0.4
351.09857	3.3
355.13120	0.5
372.17380	0.9
374.18405	0.5
385.14462	0.7
386.14194	0.5
398.15054	0.7
400.16537	1.4
412.16702	0.6
414.17938	1.3
440.15945	2.8
442.17914	0.9
443.85950	0.5
458.16931	1.9
468.15591	2.5
469.15720	0.6
486.16470	2.0
519.20117	1.5
578.21063	0.5
602.21814	0.9
620.22437	2.4
622.24188	1.1
638.23523	4.3
639.23999	0.6
648.21906	2.5
666.22992	100.0
667.23334	13.9
698.25623	20.8
698.37762	1.1
699.25604	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	701.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31639	2.5
54.61096	2.0
55.54382	2.2
59.01251	38.7
60.68000	2.3
60.79862	2.2
67.63996	2.5
69.73280	15.0
71.01252	43.1
72.99167	4.7
73.02800	5.7
85.02820	10.1
87.00758	14.4
89.01815	4.2
89.02314	55.2
97.02840	3.5
98.19878	4.6
101.02328	38.6
105.27213	2.2
108.29428	2.9
113.02320	21.0
119.03388	11.5
123.04431	3.1
125.02322	5.8
131.03386	5.2
135.04398	42.3
138.03227	2.8
143.03377	8.9
153.05408	5.0
161.04433	11.0
179.05515	31.6
191.05504	15.9
197.04503	10.9
203.05515	4.0
221.06673	14.4
323.10144	3.8
341.10904	24.5
359.09677	25.0
383.11914	62.3
443.14130	16.6
444.48886	2.9
485.15280	13.4
490.23010	2.9
503.16092	5.8
539.13916	6.5
665.21472	100.0
666.21790	8.0
666.46014	2.8
701.19250	34.4
702.19409	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	701.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99231	1.6
59.01247	19.7
64.52914	1.3
64.81977	1.2
71.01251	13.6
72.99186	3.1
73.02812	1.8
85.02850	4.7
87.00726	1.7
89.02313	9.9
93.03339	4.8
101.02319	9.9
113.02330	6.9
119.03410	4.8
122.87771	1.6
135.04410	8.7
137.02333	2.4
146.47612	1.5
147.04414	62.7
148.04749	2.2
149.02336	3.3
150.03128	2.6
153.01855	2.6
158.74182	1.5
165.05501	9.2
173.04416	2.4
175.30600	1.5
179.03372	3.4
191.05521	33.9
222.97949	1.6
267.75577	1.3
327.10828	100.0
328.11127	8.9
371.09775	17.4
447.38040	1.5
491.19257	5.5
539.21454	7.2
701.19727	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	701.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60779	0.6
59.01247	100.0
61.98708	0.8
68.79327	0.6
69.95553	2.1
69.95953	1.1
77.40637	0.6
78.95786	1.8
101.97945	0.7
133.02792	0.8
135.04439	0.8
152.99480	0.7
171.10233	0.9
185.17520	0.7
191.05612	0.7
209.11841	0.7
214.12161	0.6
255.23251	1.7
320.95084	0.8
387.36652	0.7
397.80405	0.7
423.10974	0.8
438.13144	3.8
439.13525	1.1
451.14148	0.8
452.14859	1.9
481.15143	29.6
482.15543	5.6
495.16772	9.8
496.16870	1.5
497.18469	5.2
514.15125	2.0
539.15698	2.3
540.16388	7.7
541.16901	1.9
554.18463	2.4
555.18799	50.2
556.18964	10.1
567.18732	0.9
572.15405	12.2
573.15564	2.1
586.17010	5.1
609.19415	0.9
627.21301	1.2
641.22522	20.6
642.22821	4.7
701.24628	47.2
702.24963	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	701.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.4
59.01247	3.6
61.98689	0.4
64.39086	0.3
67.01767	0.5
69.03322	0.7
71.01250	2.9
71.14864	0.8
72.99174	0.6
73.02808	1.4
78.95797	0.4
81.03330	0.7
83.01274	0.4
83.04889	0.5
85.02818	2.1
87.00735	1.1
87.04396	0.4
89.02325	1.9
93.03340	2.1
96.95864	1.8
97.02827	4.2
99.00769	2.1
101.02327	2.0
103.03881	0.3
109.02837	0.3
109.06467	3.5
110.03624	0.8
111.04397	0.7
113.02325	1.0
119.03360	0.7
121.06481	0.3
123.04446	0.5
125.02332	0.7
125.09621	0.9
127.03902	0.4
135.04376	0.8
135.08038	0.9
136.05145	0.7
137.05949	0.3
142.02660	1.6
150.06818	0.4
155.03410	0.4
161.09572	0.7
162.06778	0.5
163.06046	0.8
163.07446	0.5
163.11192	5.8
164.11548	0.3
167.10655	2.0
171.10210	0.7
173.04449	1.6
177.09009	0.4
178.02640	0.3
179.05479	0.4
179.10684	0.3
181.12250	13.3
182.12595	0.4
182.77293	0.3
187.07512	0.4
191.05540	9.9
191.07298	0.5
192.05753	0.6
197.11752	1.2
201.11154	0.7
203.06981	0.3
207.10197	32.5
208.10529	1.7
209.11723	0.9
221.37451	0.3
225.11266	100.0
226.11624	5.4
229.08620	0.5
307.10211	0.4
321.07727	0.4
449.14240	0.4
539.32166	0.3
657.02979	0.3
701.39008	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	701.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	26.3
61.98687	15.2
71.01243	31.5
71.58923	14.2
75.37619	9.7
78.95783	26.0
79.56907	10.1
88.30331	9.6
89.02289	20.9
89.66727	10.2
95.04874	11.1
96.95930	15.6
101.02333	29.1
122.25999	10.9
130.58005	10.4
150.03105	23.9
165.05507	38.8
171.10152	14.1
190.99788	23.9
191.05582	21.8
195.06487	14.9
235.08141	11.9
248.78804	12.4
267.23239	58.7
299.42603	11.3
307.26184	10.9
397.13428	100.0
415.14520	31.2
463.66016	12.6
505.22128	23.0
701.34863	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93833	0.3
59.01245	2.3
61.98691	0.5
65.56088	0.3
71.01248	2.4
71.06956	0.9
73.02817	0.9
78.95742	0.5
80.02547	0.6
81.03327	0.5
83.01269	0.4
83.04904	2.3
85.02827	0.9
87.00766	0.5
89.02330	1.5
99.00720	0.4
101.02322	2.8
102.59840	0.3
108.33542	0.4
113.02382	0.9
119.03365	0.5
125.06025	0.4
145.04935	0.7
161.04506	0.8
163.11160	2.0
165.12761	1.1
191.10735	0.5
209.11765	63.9
210.12100	2.5
227.12836	6.6
227.14865	0.7
235.08191	6.4
253.09256	7.3
255.23262	100.0
256.23581	6.4
256.26047	0.6
295.22714	1.0
491.32385	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	702.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	2.9
59.01250	55.0
67.33384	1.2
69.58329	2.3
69.59322	9.6
71.01254	29.2
72.99151	2.6
73.02792	1.4
75.09094	1.2
76.37421	1.5
81.72114	1.3
83.01239	2.4
85.02824	6.8
89.02316	30.6
95.01239	2.0
101.02316	19.8
106.06493	7.7
110.02339	2.1
112.03934	2.9
113.02335	8.8
116.04935	10.8
119.03375	10.2
120.99526	3.5
122.05975	6.3
123.03125	4.6
124.03920	4.6
132.04445	8.0
134.06012	82.3
135.06367	2.2
138.05516	19.7
149.04605	1.4
152.07077	9.0
158.02354	3.0
160.03941	40.1
161.04344	2.5
164.07050	5.7
172.03917	1.9
190.05046	15.8
191.05545	4.1
192.06580	100.0
193.06918	3.7
204.06628	9.3
216.71535	1.4
218.07991	2.3
255.11333	4.7
267.11337	4.1
279.11230	1.8
281.09344	7.5
293.09402	2.5
305.09354	1.5
307.10754	9.1
311.13892	4.4
314.12372	7.7
324.22226	1.4
337.11975	3.9
339.13477	27.2
340.13947	2.3
408.74597	1.5
487.17175	43.4
488.17151	3.9
517.18341	8.2
519.19812	88.7
520.19983	10.8
582.24182	3.9
608.22675	9.5
609.23309	1.9
612.78186	1.4
626.23541	28.1
627.23120	5.0
640.24915	2.5
652.21545	2.6
670.22308	18.6
671.22882	2.4
684.23932	9.6
702.25128	27.3
703.25171	4.8
731.55170	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	702.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67039	0.8
57.03321	1.6
58.00457	2.8
58.65547	0.7
59.01250	47.8
60.99167	0.8
68.99681	1.0
69.33734	3.0
69.34155	4.6
71.01254	30.7
72.99187	4.1
73.02799	1.5
75.00740	1.1
83.01234	2.5
85.02829	8.1
87.00764	1.9
89.02313	25.4
92.04910	0.8
93.03320	1.3
95.01262	2.6
96.71046	0.7
99.00755	1.8
100.03931	0.9
101.02321	21.0
106.06525	5.8
112.03909	3.9
113.02332	10.1
116.04949	8.6
117.40818	0.7
117.74392	0.8
119.03385	9.5
122.06033	4.5
123.03147	7.1
123.04404	1.1
124.03932	4.4
130.02939	1.2
132.04453	7.0
134.06012	80.6
135.06340	2.4
138.05510	20.5
140.07100	0.9
147.03099	0.9
149.04501	1.0
150.05533	0.9
151.03777	1.0
152.07089	8.3
155.03421	3.3
158.02399	3.9
160.03952	30.5
161.04335	1.9
162.05484	1.9
164.07095	6.9
166.05019	0.7
169.77649	0.8
172.03914	1.9
173.04449	1.6
174.01790	1.4
176.03452	1.9
176.06956	0.8
184.06044	3.4
190.05026	18.8
191.05502	6.6
192.06586	100.0
193.05144	1.5
193.06940	4.0
195.06548	0.9
198.05450	0.8
204.06560	6.6
212.10732	1.2
218.08229	1.8
228.06671	0.9
237.10083	0.9
247.43794	0.8
249.61612	0.7
255.11377	4.8
256.09637	1.0
267.11310	2.8
277.09521	0.8
279.11340	1.8
281.09448	5.1
286.11224	0.9
293.09277	2.7
298.09689	2.1
299.10349	1.6
305.09293	1.1
307.10870	7.2
309.08850	1.0
311.13980	3.5
314.12564	5.9
337.11835	3.0
339.13467	33.0
340.13864	2.5
435.15118	1.4
460.54080	0.8
487.17188	25.2
488.17670	2.9
505.19254	1.9
517.18146	6.4
518.18469	1.2
519.19806	94.4
520.20038	7.6
582.24469	3.6
608.22528	5.1
626.23419	19.4
627.22894	3.9
640.24884	2.3
652.21594	2.2
658.26190	1.3
670.22583	27.2
671.22314	3.7
684.24127	8.5
702.25116	32.8
703.25934	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	703.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	12.7
61.98695	3.1
67.52579	1.1
69.03304	1.6
71.01244	8.2
73.02813	1.3
80.02537	2.4
81.03342	3.5
83.04883	7.6
84.02028	1.3
85.02816	2.8
87.00761	2.7
89.02303	4.8
93.03324	2.2
95.04890	2.3
96.95885	3.6
97.02811	6.4
98.19697	1.8
99.00739	2.0
101.02315	6.6
107.04932	1.1
109.06465	21.6
110.03619	2.0
113.02315	2.2
121.06488	1.3
125.05948	1.2
135.08107	4.8
137.02286	1.1
142.02577	1.2
161.04533	2.1
161.09596	1.9
163.11182	18.1
165.12697	2.1
169.12282	2.0
171.10138	2.4
181.12267	2.8
185.11726	1.7
189.09111	2.2
191.05603	5.0
191.10706	1.6
197.11763	2.5
207.10185	63.2
208.10553	3.2
209.11752	100.0
210.12088	5.3
225.11269	28.1
226.11639	1.4
227.12811	16.0
227.14859	1.6
231.10129	1.0
235.08180	4.2
249.11243	2.6
253.09277	10.1
309.04324	1.7
379.12033	1.7
399.21561	4.9
417.22836	6.1
443.19083	2.6
445.20624	1.1
461.20337	10.9
635.30579	13.6
636.30402	1.4
653.31647	12.6
654.32190	1.1
671.32758	20.4
671.44031	1.2
672.32385	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	703.392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58006	0.8
59.01247	40.8
68.05016	0.7
69.53089	4.7
71.01244	2.4
72.99184	5.0
74.79773	0.7
75.00742	1.0
78.13547	0.7
85.02824	1.4
87.00777	0.9
89.02296	2.7
93.03347	0.8
101.02328	2.0
103.52647	0.7
119.04906	5.6
120.99525	1.1
122.19977	0.8
123.04399	0.7
125.02339	0.9
147.04413	100.0
147.54086	0.7
148.04744	3.0
165.05475	85.6
166.05768	3.8
175.02414	0.8
191.05505	5.6
207.06554	50.3
208.06924	2.1
209.11751	10.1
227.12869	1.5
291.34204	0.9
357.94299	0.8
397.13345	3.7
415.14499	1.8
575.13159	0.9
671.22528	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	705.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09477	1.3
55.01741	1.4
57.03307	3.4
58.00470	2.8
58.90546	1.2
59.01247	16.0
61.98691	1.1
67.01757	1.6
69.03333	7.8
69.66630	9.1
70.31532	1.2
71.01245	17.0
71.04889	4.0
73.02812	2.3
75.00697	1.1
78.26489	1.2
81.03336	1.8
83.01268	1.9
83.04872	3.4
85.02808	8.0
87.00761	8.7
89.02309	9.6
93.03326	6.6
95.04869	2.2
96.95864	5.8
97.02781	2.9
97.06457	2.0
98.20585	1.4
99.00745	3.7
101.02304	10.6
109.06461	2.2
111.04396	2.8
113.02288	4.8
113.81531	1.2
119.03349	3.4
119.08534	4.3
121.88238	1.2
123.07990	3.6
125.02311	1.4
125.09595	8.6
127.03938	1.8
127.11147	3.4
129.01822	1.6
131.95935	1.2
135.04439	3.2
137.09584	1.2
151.11127	5.1
153.12694	2.0
155.03317	1.8
155.10619	3.4
161.04419	2.2
161.09576	4.1
161.26198	1.3
163.11116	4.0
171.10226	6.5
173.04413	4.7
179.03316	1.6
179.10703	9.3
179.78998	1.2
181.12233	2.3
191.05518	27.9
192.05835	2.4
196.18948	1.3
197.11751	100.0
198.12088	4.6
199.09738	1.3
201.11253	45.5
202.11653	2.1
206.83514	1.4
207.10188	5.4
209.11761	59.0
210.12141	2.3
215.12769	1.5
223.09679	3.2
225.11304	7.2
227.12721	4.2
241.10788	5.9
243.12193	1.8
247.74969	1.3
253.09160	7.1
284.53363	1.2
284.58032	1.4
289.18091	3.0
305.72556	1.2
479.76785	1.6
661.30817	23.9
662.30414	2.8
669.40723	2.7
687.32318	68.5
688.32458	10.4
705.33087	48.9
706.33716	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	705.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00446	1.6
59.01251	20.1
61.98682	2.8
67.01754	2.9
68.99663	2.4
69.03318	4.5
71.01250	23.1
72.99182	4.0
73.02811	6.3
78.95738	2.6
81.03297	2.5
83.01233	3.1
83.04885	6.5
85.02827	11.9
87.00734	8.2
88.98612	1.7
89.02317	13.5
93.03321	14.2
95.01254	3.0
96.95879	23.1
97.02855	2.1
97.06424	2.3
99.00722	3.3
101.02319	21.4
109.02824	2.2
109.06481	2.6
111.04400	5.6
113.02294	6.4
119.03385	4.5
120.99481	2.7
125.02294	3.1
125.09614	6.8
127.03873	2.6
127.11142	5.9
134.03680	1.8
135.04424	5.6
150.03073	2.8
151.07492	2.0
151.11179	2.7
152.32440	1.6
153.12747	2.1
155.03392	6.3
155.10692	3.3
161.04437	3.2
163.11180	6.0
165.12785	2.5
169.10805	2.6
169.12250	47.9
170.12601	2.1
171.10164	14.7
173.04477	10.4
174.04655	2.0
179.05618	2.7
191.05530	71.2
192.05910	5.6
197.11760	97.2
198.12083	4.0
199.09686	3.4
201.11253	77.9
202.11620	3.7
207.10144	6.4
208.75713	2.0
209.11755	68.8
210.12054	3.2
213.05403	2.1
215.06976	2.1
223.09700	2.5
225.11174	7.3
227.12827	8.1
235.08183	3.9
253.09325	11.9
296.69891	2.0
307.18945	2.3
308.26669	1.9
314.67676	1.7
357.98273	1.8
387.58875	2.2
397.13358	2.0
457.13800	2.1
471.70563	1.9
543.25354	1.9
661.30591	6.3
687.21631	3.5
687.32404	45.3
688.32611	6.7
705.33325	100.0
706.34106	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	705.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38738	0.9
55.55293	0.8
57.03311	1.6
57.07864	0.9
58.00449	1.3
59.01247	30.0
60.91884	0.7
61.98689	2.0
67.01772	1.0
69.03313	1.4
69.56212	5.3
71.01249	20.3
71.87396	0.8
72.24300	0.8
72.99179	2.5
73.02819	2.9
80.02550	1.6
81.03320	1.9
82.07408	0.8
83.01245	1.1
83.04900	9.1
84.02039	1.2
85.02813	6.7
87.00759	5.1
89.02316	11.4
93.03336	4.2
95.01250	1.8
95.04927	1.6
96.95880	2.8
97.02779	1.5
97.06458	1.3
98.20506	2.0
98.72359	0.8
99.00768	2.0
101.02309	8.6
109.02789	1.3
109.06496	2.3
109.29350	0.9
111.04366	3.0
113.02314	5.7
119.03373	2.9
125.05949	2.2
125.09647	1.9
127.03866	5.0
129.05470	3.2
143.03349	1.2
150.72246	0.9
151.11143	1.3
155.03436	1.5
161.04453	2.8
163.11171	5.2
165.12723	2.1
169.12241	10.3
171.10181	8.6
173.04465	3.0
179.05510	2.1
179.10596	1.5
181.12331	2.1
185.11765	1.9
187.09738	0.8
188.47856	1.0
191.05524	21.8
197.11749	4.5
199.09653	1.4
199.13342	1.9
201.11229	4.8
207.10191	6.4
209.11752	100.0
210.12044	5.2
215.12814	1.8
223.09720	2.9
225.11293	9.2
226.11520	1.8
227.12825	17.1
235.08159	2.7
253.09213	7.7
260.86121	1.0
307.19183	1.4
397.30774	0.9
439.34497	1.2
445.20770	1.5
461.20190	1.1
494.19495	1.1
503.19867	1.2
567.05927	1.0
601.39685	5.9
627.37354	13.4
628.37573	1.1
673.30756	6.1
687.30145	1.6
687.41504	4.6
705.40027	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	705.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83746	0.8
57.03318	0.9
58.00448	1.4
59.01246	34.1
59.33691	0.7
64.59826	0.9
69.03319	0.9
69.59223	5.5
71.01251	13.3
72.99189	1.1
73.02805	5.6
78.95779	4.3
85.02822	2.6
89.02317	8.3
95.01247	1.1
96.95904	1.0
97.06465	0.8
97.49908	0.9
101.02325	6.8
107.15218	0.7
113.02320	5.1
119.03381	2.3
123.08083	1.0
123.46957	0.7
139.07504	1.2
152.99490	4.3
153.09097	4.4
161.04410	3.9
179.05492	1.7
191.05446	1.0
197.11810	1.7
205.12259	7.3
223.13309	2.6
273.22235	3.2
277.21698	100.0
278.22083	6.3
291.23276	29.9
292.23688	1.4
301.21716	2.5
319.22681	11.9
349.23822	1.1
367.17749	4.6
373.23450	0.9
385.18646	5.7
445.19812	1.2
469.14874	1.2
495.02475	0.9
498.32254	0.9
645.39111	1.2
705.36090	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	707.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.6
63.87107	0.5
66.23847	0.6
67.01763	0.5
69.91399	2.4
69.91824	0.9
71.01252	2.7
71.08617	0.5
72.91834	0.5
83.01237	0.8
84.04439	0.9
85.02827	0.8
87.00731	0.5
89.02314	0.8
93.03320	1.2
94.02859	1.0
95.04933	0.8
100.42113	0.5
101.02314	1.1
108.04414	0.9
112.03918	10.3
113.02358	0.6
119.03265	0.6
120.04438	8.4
121.02849	1.0
121.05227	11.3
122.06008	19.4
123.03139	11.8
123.06377	0.7
124.03944	12.1
126.01857	1.1
134.06009	2.1
136.05275	1.8
136.07578	91.6
137.02441	0.7
137.05986	13.9
137.07930	2.3
138.05501	100.0
139.05838	2.7
140.07040	3.7
150.05498	2.6
155.03384	0.6
163.06346	1.0
168.74681	0.6
173.04489	0.9
182.04509	11.3
183.05295	3.2
184.06093	21.0
184.07762	1.1
191.05554	6.7
214.12289	1.7
215.04294	0.7
241.09920	0.7
242.10616	1.6
257.12915	37.3
258.11154	3.1
258.13611	1.1
275.14020	6.6
301.11908	6.4
319.12967	14.2
588.55109	0.6
682.75580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19593	0.6
59.01246	100.0
60.01579	1.4
68.99689	5.8
69.03323	1.5
69.38263	0.7
69.52188	4.9
71.01254	4.3
73.02818	2.8
78.95760	3.0
80.96391	1.3
89.02321	0.8
95.01259	6.9
95.04913	0.6
99.84282	0.6
101.02315	12.9
109.06438	0.7
113.02325	1.1
113.99460	0.9
114.09210	0.7
123.04398	12.2
124.04754	0.7
149.02274	0.8
152.99478	4.3
155.03395	19.1
155.04672	0.9
156.03697	0.5
163.11194	0.9
171.00557	1.1
171.10164	1.8
175.04002	0.6
177.86682	0.6
181.05011	1.4
182.39922	0.6
187.39397	0.6
188.29997	0.6
207.10283	2.0
209.11668	1.0
225.07718	2.8
225.11296	2.9
253.21634	0.7
263.23694	0.7
273.22293	1.7
277.21698	16.0
278.22314	1.3
279.23175	0.7
291.23279	15.5
291.26340	1.1
292.23611	1.1
301.21701	1.4
319.22772	4.0
334.05695	0.6
453.15005	4.0
471.16058	0.9
531.82849	0.9
629.98492	0.7
681.30243	0.7
689.36359	3.4
707.37946	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	707.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52699	0.3
59.01249	100.0
60.01583	0.7
61.98701	1.3
63.83311	0.3
69.47671	2.7
71.01263	0.5
77.15407	0.3
78.95797	1.4
80.52886	0.3
80.96414	0.3
87.12831	0.3
95.73638	0.3
96.95907	0.4
106.63399	0.3
150.06766	0.7
152.99509	0.5
160.11681	0.3
173.04359	0.3
191.05611	1.3
193.60602	0.3
197.11810	0.8
217.00294	0.4
291.19736	0.7
316.18036	0.3
342.22287	1.1
405.86191	0.3
405.96927	0.3
471.31693	0.4
496.14041	0.3
571.29865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20237	0.2
59.01250	0.8
61.33795	0.2
69.06564	0.2
71.01260	0.8
71.13655	0.6
71.82707	0.3
73.14771	0.3
73.36503	0.2
79.74649	0.3
85.02821	0.3
86.58504	0.2
87.00757	0.3
89.02305	0.5
93.03304	1.4
109.02822	0.5
113.02313	0.3
116.04934	2.5
121.02838	3.2
133.02884	0.5
135.04414	2.4
137.02351	0.6
138.79468	0.3
139.00215	0.3
149.02339	23.8
150.02730	0.8
151.03915	0.4
152.01050	5.5
160.03964	3.1
163.03917	4.8
164.04698	23.1
165.01816	1.3
165.05127	0.8
167.03372	0.9
169.04980	2.6
179.05489	0.6
179.07040	8.4
180.04239	0.5
180.07265	0.3
191.03812	0.4
191.05479	2.3
193.01346	13.5
194.01677	0.7
194.20305	0.3
207.03075	0.3
208.03703	35.3
209.04102	1.1
223.06058	100.0
224.06409	5.2
233.04472	0.3
265.07114	0.4
301.23868	0.3
322.09253	0.8
351.07373	0.3
362.96173	0.3
385.11383	20.6
386.11789	1.5
464.11523	0.3
575.32214	0.3
607.67096	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	709.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75853	0.3
57.03318	0.7
59.01247	3.8
60.99171	0.6
67.01757	2.2
68.99690	0.5
69.03312	0.9
71.01244	3.3
71.59007	0.5
73.02821	0.8
77.03829	0.4
81.03336	1.0
83.04890	0.5
85.02819	12.8
85.29005	0.3
87.00756	5.1
89.02308	1.6
93.03334	14.5
94.03667	0.5
95.01228	0.6
95.04890	1.2
96.95894	2.2
99.00758	0.4
99.04388	0.9
99.15929	0.3
101.02357	1.6
105.03339	3.9
109.02827	3.0
111.04399	2.9
113.02321	0.8
115.00258	1.0
115.53796	0.3
115.64576	0.4
119.03405	0.8
119.04839	0.3
121.02831	0.9
123.00757	0.3
123.04409	1.5
124.01591	0.6
125.02315	0.6
127.03898	2.9
132.02052	1.9
133.02847	32.4
134.03615	1.1
135.04414	17.5
135.14883	0.3
136.04774	0.6
137.02328	1.3
138.09105	0.4
139.03915	0.4
147.04431	0.5
149.02342	1.4
150.03140	1.5
151.03813	1.5
155.03415	1.1
157.72136	0.3
160.01625	1.8
161.02348	6.9
162.03160	4.3
162.76411	0.3
163.03903	0.6
165.05533	1.7
171.02917	0.7
173.04471	8.5
174.03177	0.4
174.04768	0.3
175.02377	1.6
175.03874	0.9
177.01849	10.3
177.05495	1.0
178.02621	3.0
179.03409	9.9
179.04634	0.2
179.06975	0.3
180.04210	8.0
181.04802	1.0
182.08104	0.8
191.05533	100.0
192.05833	3.3
193.04977	3.2
195.06566	11.3
196.06833	0.3
202.02614	0.5
203.03313	0.5
215.05525	4.6
221.04564	0.4
283.40826	0.3
307.08295	0.7
321.06415	0.5
321.15628	2.9
322.06735	0.6
322.15689	0.7
323.07706	2.5
346.95953	0.3
351.07187	14.9
352.07501	1.5
353.08780	1.1
355.10858	0.6
357.11874	2.0
395.09909	0.7
486.09436	0.3
487.12448	1.3
491.15424	0.8
499.12610	2.8
517.13464	11.1
518.13873	1.1
529.13293	0.9
535.14465	1.2
547.14435	3.3
548.15112	0.5
691.18054	0.6
709.19714	19.7
710.19977	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46088	0.8
55.53881	0.9
59.01259	2.8
59.22454	1.0
68.64926	0.8
71.01241	2.6
78.28492	0.9
78.38322	0.8
81.03326	1.0
83.04910	1.3
85.02824	2.5
87.00732	1.1
87.94138	1.0
89.02325	1.6
93.03355	2.7
96.95898	1.2
101.02332	2.1
104.28293	1.1
113.02350	1.1
161.04475	1.2
163.11174	1.6
173.04445	1.7
191.05536	10.7
200.04715	1.0
209.11763	100.0
210.12074	4.7
227.12843	27.2
235.08116	2.7
253.09283	7.0
267.55261	0.9
293.21188	2.1
311.22195	1.9
430.50763	1.0
445.20792	4.5
709.31689	15.3
710.32312	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	709.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88253	0.5
55.01752	0.8
57.03304	1.2
58.00455	1.0
59.01245	20.9
61.98696	5.2
67.01768	0.7
69.03316	2.1
71.01247	14.3
71.58882	0.7
72.99178	2.1
73.02801	2.5
75.00718	1.1
78.95778	1.2
81.03333	0.5
83.01234	1.6
83.04855	1.4
85.02814	5.4
87.00723	3.3
88.98659	0.6
89.02312	14.1
93.03310	4.1
95.01252	1.1
96.95880	4.0
97.02827	2.8
97.06444	1.3
99.00747	1.2
99.08013	1.8
101.02316	12.3
109.02880	0.5
111.04353	1.0
113.02312	4.3
113.09600	1.4
113.12886	0.5
119.03380	4.3
125.02341	2.9
125.09480	0.6
129.09090	2.1
131.03395	0.6
135.04358	1.3
137.02338	0.8
139.11159	2.0
141.71068	0.5
143.03378	1.6
151.11217	0.5
152.99500	0.6
155.03418	0.6
161.04483	3.3
163.11201	0.6
165.12733	0.8
167.10683	0.7
169.12210	0.9
171.10164	5.5
172.05144	0.6
173.04431	3.2
173.05882	0.9
179.05519	3.0
181.12231	2.5
183.13821	1.2
185.00789	0.9
187.07480	0.7
191.05513	20.9
192.05836	1.2
193.10339	0.4
193.12222	2.1
197.11736	4.0
199.13266	2.0
203.07063	0.6
207.10141	0.9
209.11757	4.4
211.13327	9.6
215.07007	1.0
221.06622	1.2
227.12779	1.0
235.08209	2.8
249.22148	0.7
253.09216	1.6
263.07657	0.6
270.63245	0.5
270.82132	0.6
275.20166	1.1
293.21207	9.6
305.08664	1.0
307.13364	0.6
309.77493	0.6
311.22232	100.0
312.22653	6.4
397.13422	20.6
398.13916	1.1
401.23978	0.5
407.09006	0.5
415.14514	25.8
416.14813	1.6
517.33337	1.1
535.19214	1.1
649.38617	2.5
650.39032	0.5
671.31641	0.6
682.62701	0.6
691.30206	0.7
709.38049	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	709.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88253	0.5
55.01752	0.8
57.03304	1.2
58.00455	1.0
59.01245	20.9
61.98696	5.2
67.01768	0.7
69.03316	2.1
71.01247	14.3
71.58882	0.7
72.99178	2.1
73.02801	2.5
75.00718	1.1
78.95778	1.2
81.03333	0.5
83.01234	1.6
83.04855	1.4
85.02814	5.4
87.00723	3.3
88.98659	0.6
89.02312	14.1
93.03310	4.1
95.01252	1.1
96.95880	4.0
97.02827	2.8
97.06444	1.3
99.00747	1.2
99.08013	1.8
101.02316	12.3
109.02880	0.5
111.04353	1.0
113.02312	4.3
113.09600	1.4
113.12886	0.5
119.03380	4.3
125.02341	2.9
125.09480	0.6
129.09090	2.1
131.03395	0.6
135.04358	1.3
137.02338	0.8
139.11159	2.0
141.71068	0.5
143.03378	1.6
151.11217	0.5
152.99500	0.6
155.03418	0.6
161.04483	3.3
163.11201	0.6
165.12733	0.8
167.10683	0.7
169.12210	0.9
171.10164	5.5
172.05144	0.6
173.04431	3.2
173.05882	0.9
179.05519	3.0
181.12231	2.5
183.13821	1.2
185.00789	0.9
187.07480	0.7
191.05513	20.9
192.05836	1.2
193.10339	0.4
193.12222	2.1
197.11736	4.0
199.13266	2.0
203.07063	0.6
207.10141	0.9
209.11757	4.4
211.13327	9.6
215.07007	1.0
221.06622	1.2
227.12779	1.0
235.08209	2.8
249.22148	0.7
253.09216	1.6
263.07657	0.6
270.63245	0.5
270.82132	0.6
275.20166	1.1
293.21207	9.6
305.08664	1.0
307.13364	0.6
309.77493	0.6
311.22232	100.0
312.22653	6.4
397.13422	20.6
398.13916	1.1
401.23978	0.5
407.09006	0.5
415.14514	25.8
416.14813	1.6
517.33337	1.1
535.19214	1.1
649.38617	2.5
650.39032	0.5
671.31641	0.6
682.62701	0.6
691.30206	0.7
709.38049	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	709.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	3.0
59.01250	100.0
61.98693	6.1
69.10396	2.5
71.01249	37.2
71.58868	3.3
71.59260	4.7
73.02799	4.7
75.00756	3.8
78.95780	7.9
81.03321	3.8
83.01223	2.8
85.02802	12.2
87.00752	7.3
89.02305	22.5
93.03355	5.2
96.95886	7.3
97.02857	3.0
101.02324	22.2
109.06540	2.7
113.02316	9.7
119.03366	8.9
125.02325	10.3
139.89740	3.0
142.55710	2.8
152.99460	5.3
161.04465	6.5
173.04466	3.9
179.05478	3.2
190.86658	2.7
191.05511	21.9
199.09554	4.0
209.11710	5.2
211.07584	5.9
211.13257	9.3
225.11305	6.8
235.08093	8.8
251.20111	81.7
251.22688	4.5
252.20541	5.8
255.06584	3.9
287.07797	5.0
303.34586	2.9
304.31152	2.7
305.08633	4.0
397.13495	86.1
398.13852	6.9
400.15256	3.1
415.14606	27.4
594.63544	3.3
693.04034	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	709.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.6
62.62771	0.6
63.96107	2.5
69.03306	0.6
70.90721	1.7
71.01249	10.0
73.02825	2.1
78.98463	8.9
79.95605	15.3
80.96387	98.3
81.03336	1.7
85.02808	4.3
87.00755	3.6
94.97958	22.5
96.95871	1.1
97.02811	2.1
99.00774	0.9
101.02305	3.9
106.97956	4.0
115.09042	0.6
122.97478	4.7
125.02325	3.7
127.03915	1.4
134.97479	6.5
136.99007	1.9
148.99040	8.4
152.98526	9.2
164.98540	16.0
171.10164	2.9
185.59248	0.7
206.99596	3.4
209.11716	1.2
223.16942	0.6
225.00690	21.5
255.23242	2.3
265.79309	0.7
273.44171	0.6
281.24902	2.7
311.29593	0.6
340.99814	0.7
453.14383	4.2
537.27496	2.3
709.38324	100.0
710.38660	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	709.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90723	0.5
59.01240	0.6
61.71137	0.5
63.96113	2.2
64.18983	0.5
69.95070	2.3
71.01257	9.0
73.02823	2.1
77.16818	0.5
78.98459	8.3
79.95605	15.5
80.96387	91.8
81.03332	1.1
85.02817	3.5
87.00743	3.4
94.97959	21.6
95.01252	1.0
96.95880	1.4
97.02830	2.1
99.00755	1.4
99.04337	0.5
99.63234	0.5
101.02333	2.6
106.97958	3.8
121.41424	0.5
122.97466	4.5
125.02318	3.5
127.03894	1.4
132.30641	0.5
134.97481	6.8
136.99052	2.1
148.99028	8.0
152.98537	7.7
152.99692	0.9
164.98541	13.9
171.10136	1.6
185.04832	0.5
188.98584	0.5
206.99696	2.9
225.00688	21.5
226.01047	0.7
255.23280	2.2
258.56766	0.6
266.14249	0.5
283.05026	0.7
288.11279	0.7
453.14383	3.4
537.27277	1.3
651.37000	0.6
673.05652	0.6
709.38348	100.0
710.38617	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	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54961	0.3
59.01248	23.1
61.98699	0.6
69.31054	3.4
71.01256	1.5
72.99156	0.4
83.04912	0.4
83.27170	0.3
85.02802	1.5
87.00749	0.5
89.02325	0.7
93.03320	1.5
96.95891	1.3
97.06464	15.5
98.06829	0.3
101.02316	1.0
111.04392	0.3
113.02319	0.6
116.67812	0.3
119.03368	0.4
127.03905	0.4
135.04375	0.5
141.01556	0.4
161.04501	0.4
169.12222	1.4
171.10179	3.1
173.04446	1.4
179.05563	0.5
191.05539	9.3
192.05850	0.6
209.11792	3.0
210.12077	0.5
227.12781	0.5
229.08661	0.4
230.09291	0.3
328.64035	0.4
423.32761	0.8
437.32056	0.3
439.32062	1.1
441.28055	0.4
441.33725	5.0
442.33807	0.6
446.26956	0.3
466.10172	0.3
485.32230	0.3
487.34259	100.0
488.34650	14.4
488.41809	0.7
535.19684	0.7
649.39264	1.3
650.39056	0.3
656.79004	0.3
677.33966	3.3
678.34015	0.6
709.42859	2.5
710.42163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53001	1.9
59.01242	27.9
71.01263	20.7
71.07388	2.1
73.02789	3.7
78.47516	2.3
85.02812	4.5
87.00743	4.5
89.02314	22.7
97.02798	5.9
101.02316	17.3
113.02308	6.6
119.03381	9.0
125.02304	7.6
129.51372	2.2
161.04466	3.4
179.05562	3.9
229.19135	3.3
235.08171	9.1
238.58932	2.2
267.29825	2.3
277.21692	53.4
278.21924	3.1
305.08652	4.7
327.23230	3.6
397.13474	100.0
398.13687	7.2
415.14569	30.8
675.35791	6.3
711.33588	34.0
712.34082	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	711.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37032	1.2
58.00464	1.8
59.01251	38.8
61.98697	3.8
69.03373	1.3
70.15029	1.1
70.46187	2.6
70.46550	2.3
71.01250	27.0
72.99174	1.8
73.02826	6.1
75.46618	1.2
78.95757	1.3
83.01264	2.6
85.02372	1.2
85.02790	5.6
85.46373	1.2
87.00764	6.5
88.89709	1.0
89.02315	31.2
93.46358	1.0
95.01245	2.7
97.02840	3.9
99.00709	1.8
101.02328	21.3
113.02335	10.3
119.03361	8.1
121.86307	1.1
125.02351	7.4
134.49338	1.2
143.03384	3.8
149.04333	1.2
154.52290	1.0
161.04449	3.5
170.76321	1.1
179.05522	5.6
190.81424	1.3
191.05519	2.6
212.03864	1.1
221.06607	2.5
224.74268	1.2
229.08398	1.3
235.08167	6.0
253.09244	2.0
253.21660	18.8
267.23260	4.2
397.13480	46.0
398.13763	2.3
415.14529	100.0
416.14749	4.7
545.30560	1.5
598.88464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18870	0.5
55.01760	1.8
57.03322	1.8
58.00466	2.5
59.01248	100.0
61.63930	0.5
71.01250	51.6
72.01590	0.5
72.99172	4.0
73.02820	4.5
83.01261	4.0
85.02822	12.7
87.00742	4.3
89.02316	61.6
90.02689	0.5
93.03345	2.3
93.55861	0.5
95.01261	4.2
96.95909	1.0
97.02881	0.6
99.00771	2.2
101.02318	34.4
102.02670	0.8
111.04406	1.1
113.02328	22.3
118.90858	0.5
118.91663	0.5
119.03383	28.2
125.02348	1.1
131.03383	3.0
134.03693	0.7
135.04425	0.5
136.01515	0.6
137.02374	0.9
143.03406	6.1
149.04489	2.7
159.02994	0.8
161.04468	13.4
164.70099	0.5
171.15033	0.4
171.63770	0.5
173.04482	2.5
179.05527	33.6
180.05826	1.1
190.56035	0.6
191.05550	10.0
193.35025	0.5
208.91728	0.5
219.48170	0.4
232.23335	0.6
242.06148	0.4
260.03329	0.5
467.15778	1.3
603.38849	6.7
604.39429	1.2
621.39636	4.7
633.40039	24.2
634.40491	4.4
647.37872	0.6
651.41132	24.5
652.41217	4.2
711.32184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.3
57.03313	0.8
59.01250	100.0
60.01587	0.9
61.98675	0.4
63.91014	0.4
69.87608	1.7
69.91727	0.3
71.01251	15.6
72.99203	0.5
73.02818	5.3
75.00754	0.4
81.03317	0.4
83.01261	2.7
83.04899	0.4
85.02823	7.8
87.00768	1.0
88.51194	0.4
88.98689	0.3
89.02344	1.2
93.03359	1.5
95.01270	0.8
96.95902	2.4
99.00735	2.6
101.02317	13.8
104.75165	0.3
111.00774	0.6
113.02324	6.3
113.03052	0.5
125.02365	0.8
129.01805	0.6
135.04509	0.5
135.45876	0.3
137.02368	0.5
143.03442	0.6
153.05264	0.3
158.61360	0.3
159.02853	1.9
161.04460	14.1
162.04814	0.4
173.04459	1.1
176.59013	0.3
179.03352	0.3
191.05534	6.5
191.07233	0.3
192.05960	0.5
205.03590	0.5
209.11876	0.5
214.67577	0.3
221.68228	0.3
271.06573	0.4
311.09631	0.3
376.25665	0.3
379.35492	0.4
390.70639	0.3
404.37747	0.3
471.34851	0.6
540.23730	0.4
603.39111	4.0
604.39606	0.4
633.40051	13.1
634.40173	2.3
647.38354	1.2
651.41748	0.7
663.05768	0.4
677.38953	7.3
678.39221	2.0
695.40387	0.4
711.43408	15.7
712.43890	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	711.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97235	0.5
55.01755	1.9
57.03318	1.8
58.00463	1.4
59.01247	100.0
60.01569	1.0
60.19837	0.4
68.99731	0.5
71.01250	30.6
72.99185	1.3
73.02817	8.5
73.44091	0.5
79.27985	0.5
83.01261	3.1
85.02821	12.2
87.00752	1.7
89.02312	15.6
93.03366	0.6
95.01245	2.5
96.95894	1.6
97.02860	1.0
98.20655	0.9
99.00765	3.6
101.02315	23.4
109.53585	0.5
109.75770	0.5
113.02324	12.6
119.03378	5.9
125.02345	0.9
129.01826	1.0
131.03383	0.8
143.03418	2.1
159.02907	2.9
161.04454	24.2
173.04504	0.7
179.05563	3.9
191.05507	4.4
205.03468	0.7
207.10246	0.5
229.87718	0.5
328.66183	0.5
633.39948	14.3
633.49915	0.7
634.40454	2.1
651.41040	26.1
652.41571	4.0
677.38892	5.7
678.39935	0.9
695.39941	5.9
696.40393	0.6
711.43152	4.2
712.44128	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	715.427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	5.7
68.86071	1.2
69.03310	4.4
71.01247	6.0
71.04865	1.6
71.58767	0.9
73.02784	1.1
83.04868	1.2
85.02836	2.1
89.02290	2.9
97.02750	1.3
101.02338	5.9
113.02313	1.7
119.03378	1.7
120.89834	1.2
121.62614	1.0
123.08070	1.9
125.09583	2.3
151.11165	2.3
152.99496	1.2
161.09579	3.7
179.10701	9.7
197.11751	49.9
198.12112	2.7
209.11758	3.2
223.09770	2.1
235.08110	1.3
241.10738	3.9
253.09186	3.7
255.23254	97.9
256.23599	8.1
260.16400	1.1
269.24728	2.3
715.42639	100.0
716.42859	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	716.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.3
57.03318	1.4
58.00452	2.6
59.01249	61.0
69.32381	5.4
69.32804	4.9
71.01253	33.9
72.99170	3.9
73.02792	2.1
75.00716	1.0
83.01257	2.9
85.02828	9.2
87.00750	2.2
89.02315	32.8
93.03327	3.0
95.01260	3.8
101.02320	22.8
106.06512	6.5
108.97689	0.9
113.02316	11.2
116.04960	1.8
119.03397	11.1
122.06016	6.1
132.04408	3.6
133.02797	1.1
134.06013	51.6
135.04431	2.6
138.05428	1.2
140.23608	1.0
146.06001	1.2
147.04416	1.5
149.02344	2.5
150.03142	5.2
152.07082	11.7
158.02446	2.1
160.03883	2.8
161.05856	1.0
165.05461	5.1
166.00876	1.2
173.04552	4.8
175.07692	1.9
190.05016	9.3
191.05519	11.5
192.06601	4.9
195.06625	2.8
197.07207	1.0
210.07747	1.2
213.10254	4.4
222.07886	3.2
223.08662	1.2
225.06650	2.0
225.10248	2.4
235.08665	1.6
237.06612	3.7
237.10289	18.5
238.07202	3.1
238.08910	1.5
239.08199	2.5
247.08801	1.4
249.06683	1.6
249.10356	1.9
250.08658	1.5
251.08157	4.8
252.05408	2.6
253.09801	9.2
254.10481	1.9
255.11354	1.8
263.08249	4.0
265.06259	7.5
265.09680	5.9
266.06946	23.8
266.10248	1.7
267.07330	1.8
267.11566	1.4
277.06100	2.0
278.07040	7.8
279.07605	3.9
280.08524	3.0
281.09290	87.7
282.09656	7.8
291.07837	2.4
292.08438	1.7
293.09305	51.2
294.09814	4.6
307.07324	1.6
307.10794	1.7
311.10178	1.1
313.11868	16.7
314.12341	7.0
323.10327	2.6
325.11853	2.7
329.13693	1.9
337.08224	1.5
337.12051	2.7
338.12625	2.2
339.13199	1.7
360.17221	1.4
384.17035	1.2
386.14740	1.2
400.16693	3.3
428.16119	3.9
460.18640	3.2
477.19031	7.2
517.18231	2.4
519.19720	1.6
525.21161	3.1
564.23535	2.8
580.23047	3.0
600.45782	1.0
608.22473	86.6
609.22632	10.9
640.25073	36.3
641.25793	4.6
652.21356	18.5
653.21454	2.5
672.27924	1.7
684.24048	100.0
685.24359	13.0
704.61877	1.1
716.26788	45.0
717.27045	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	716.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
60.01573	0.1
61.66269	0.1
61.98699	100.0
62.98387	0.2
69.82874	0.1
70.89998	0.1
71.01256	0.7
72.01594	0.1
72.99210	0.1
73.02822	0.1
87.00751	0.2
89.02308	0.7
92.58652	0.1
97.02840	0.1
99.00717	0.1
101.02331	0.5
102.75729	0.1
111.24682	0.1
113.02347	0.3
125.02328	0.3
144.02135	0.1
162.04836	0.1
173.29150	0.1
235.08244	0.2
255.23264	1.0
256.23593	1.1
257.23950	0.4
258.24435	0.2
379.11395	0.1
397.13373	0.5
398.13898	0.8
399.13971	1.1
400.14285	0.7
415.14719	0.1
416.15192	0.2
417.14993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.2
61.01669	0.1
61.98700	100.0
62.98388	0.2
71.01257	1.0
71.59303	0.2
73.01633	0.2
73.02856	0.1
76.43209	0.1
78.95747	0.2
83.42173	0.1
87.00771	0.2
89.02307	0.7
90.02666	0.2
94.71877	0.1
101.02332	0.6
101.95402	0.1
102.02669	0.2
111.18356	0.1
111.69106	0.1
113.02333	0.3
119.17090	0.1
125.02386	0.2
162.04755	0.1
191.05557	0.3
209.11807	0.3
255.23274	1.1
256.23596	1.0
257.23874	0.7
258.24316	0.2
264.82028	0.1
280.27838	0.1
305.81696	0.1
397.13544	0.5
398.13940	0.8
399.13898	1.1
400.14392	0.7
416.15073	0.2
417.14957	0.2
418.15598	0.3
527.23120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	3.2
57.03300	2.7
58.00460	2.6
59.01249	36.2
69.63039	8.7
71.01253	33.2
72.99181	3.9
73.02818	10.3
75.00786	1.4
83.01241	6.0
85.02831	13.7
85.99940	2.2
87.00747	6.1
89.02324	13.0
93.03307	8.2
95.01254	3.6
96.95864	2.0
99.00732	4.3
101.02317	24.7
109.02839	2.2
111.00753	2.7
113.02330	9.5
119.03370	4.9
121.02835	15.8
122.03619	16.3
123.04392	1.8
132.02065	2.3
133.02827	5.2
134.03606	2.4
135.04405	3.3
136.01537	3.0
139.15411	1.3
141.37523	1.3
141.65372	1.7
143.03369	1.9
146.03575	1.7
147.04362	1.9
149.02341	45.4
149.05922	2.7
149.44589	1.3
150.03130	100.0
151.03456	4.2
159.04420	2.0
160.05118	1.6
161.02342	1.9
161.04449	1.9
161.05977	2.1
162.03111	2.5
163.03978	2.4
164.04691	7.9
165.05475	75.3
166.05785	4.0
173.04488	1.5
177.05482	3.1
179.05502	1.9
180.04216	6.1
189.05518	2.5
191.05537	14.3
195.06578	21.3
197.11850	1.6
197.58592	1.6
253.08795	1.7
254.09480	1.6
255.06612	2.3
265.08511	2.7
267.06467	1.9
269.08179	3.9
270.08987	1.8
279.10428	1.9
280.07214	1.6
281.08231	3.2
283.09879	3.6
295.09689	3.0
296.10370	1.8
297.11203	2.0
313.10751	3.5
314.11609	4.3
315.12216	3.4
326.11578	6.8
327.12250	4.5
329.13861	8.5
341.13809	4.6
343.11957	1.6
347.17303	1.6
355.12042	2.3
431.14871	4.7
445.16501	1.9
461.15356	1.7
463.17609	1.6
465.19415	1.7
474.16180	2.2
476.16705	6.0
477.18768	6.0
488.17218	3.1
489.18784	6.3
490.18628	1.8
491.19214	35.4
492.19177	4.4
503.19229	31.0
504.19412	3.4
507.19974	5.5
521.20068	2.9
639.24255	8.2
651.24451	39.6
652.24731	5.6
669.25464	90.8
670.25769	15.6
699.26611	2.7
717.27722	36.0
718.27856	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	717.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99440	3.7
59.01242	7.5
61.98688	28.1
71.01235	10.0
71.59048	7.3
72.25993	3.7
72.58996	4.2
72.63651	3.7
78.95790	6.7
82.69035	3.3
85.02855	4.3
91.62100	3.9
93.03313	4.1
96.95884	11.3
97.02811	14.6
138.40025	4.0
171.10115	4.9
191.05548	16.8
207.10109	5.1
209.11728	5.5
247.02184	3.8
250.67160	4.6
279.09140	12.4
293.10205	4.0
309.10193	5.8
309.20538	6.5
316.52145	4.4
321.10229	5.3
338.10422	24.4
347.15338	100.0
348.15591	8.7
369.16263	4.7
407.17487	23.7
501.21375	8.1
571.29498	8.7
588.30035	35.7
639.35822	25.3
640.36407	6.4
657.36591	29.4
717.38354	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	717.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.9
71.01239	8.4
71.04877	2.5
71.63177	1.5
73.02794	1.8
73.65141	1.5
73.72068	1.6
85.02829	1.7
87.00702	1.8
89.02308	2.9
97.02818	3.8
99.00737	15.0
101.02324	4.7
115.75163	1.6
125.09591	6.3
161.04425	2.5
163.11174	5.6
171.10175	5.4
181.12263	11.9
199.13341	11.7
201.11317	1.8
207.10187	25.0
225.11261	42.1
226.11459	1.8
243.12306	5.5
253.09279	2.3
255.23257	100.0
256.23581	7.2
434.78604	1.6
443.19226	2.0
461.20407	2.4
560.27374	1.7
699.43005	5.0
717.44250	89.7
718.44421	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	719.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79123	10.0
52.47012	10.6
59.01253	47.0
69.40548	64.9
69.40955	19.1
71.01252	35.6
84.00761	11.6
84.89356	10.2
87.00728	9.8
88.97102	9.0
89.02315	49.1
97.92110	8.1
101.02318	25.7
106.22791	10.1
107.56029	8.5
111.07397	10.3
113.02252	10.6
117.81052	10.4
119.03419	22.8
119.65959	9.2
123.04391	9.6
127.28446	8.8
135.04428	10.9
155.03458	22.3
179.05511	26.6
191.05551	27.8
208.94026	11.3
211.61255	9.8
215.10278	13.3
270.67880	11.7
288.18909	11.4
302.47775	9.7
303.78229	9.9
315.47534	10.2
341.10898	31.6
377.08768	100.0
377.14407	73.2
521.19165	22.3
525.38513	12.3
735.28302	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	719.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74764	1.2
56.77274	1.5
59.01247	12.9
61.98689	2.0
69.03345	1.9
69.42156	12.7
71.01255	14.7
72.48125	1.5
72.99191	1.8
73.02818	3.1
75.00733	2.6
78.04395	1.4
78.37258	1.3
79.95612	1.7
80.02536	2.6
81.03308	2.1
83.01270	2.0
83.04916	8.1
84.02026	1.9
84.11459	1.3
85.02808	10.0
85.72641	1.2
87.00752	5.5
88.98682	2.2
89.02290	7.4
93.03331	10.7
95.01287	1.6
96.95893	16.7
97.02847	1.6
98.20539	3.0
99.00769	2.1
101.02323	10.5
109.02805	2.1
109.06527	2.0
111.04407	2.6
113.02320	3.4
119.03362	2.8
121.02897	1.5
125.02351	1.5
125.09640	2.8
126.39619	1.3
127.03954	1.9
127.98470	1.3
132.16969	1.3
135.02885	1.7
135.04404	3.2
137.02336	2.1
151.11234	1.5
153.09099	1.6
161.04485	2.1
163.11168	6.8
165.12788	4.6
169.12256	45.5
170.12613	1.6
173.04466	8.6
173.05795	1.7
179.03320	1.7
187.07603	2.7
191.05533	50.7
191.10606	2.4
192.05893	2.4
194.94383	1.3
197.11766	55.2
198.12090	3.0
201.11304	2.0
207.10266	1.9
209.11766	100.0
210.12074	4.8
215.07074	2.7
225.11229	2.7
227.12817	13.1
235.08282	2.2
243.90410	1.3
253.09256	6.5
273.17059	4.0
402.07956	1.5
417.62515	1.4
545.20538	2.9
687.32159	46.3
688.32599	7.4
719.35052	67.4
720.35260	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	719.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.3
57.03307	1.3
59.01257	7.0
61.98701	1.1
69.03327	5.6
71.01248	7.0
71.04892	2.6
71.38930	2.0
73.02814	1.1
76.24828	0.9
81.03330	1.3
83.01256	1.8
83.04893	4.9
84.02042	1.2
85.02795	1.6
86.15179	0.8
87.00734	1.6
89.02341	4.7
93.03338	1.2
95.01293	1.1
95.04884	0.9
96.95889	2.8
97.06457	2.4
99.00757	1.5
101.02316	4.8
113.02332	2.3
119.58777	0.8
123.08032	1.3
125.09613	3.5
145.83891	0.9
151.11137	2.4
153.12770	2.5
156.25398	0.9
161.04457	1.7
161.09651	4.3
163.11160	3.4
165.12717	2.2
173.04497	1.0
175.04242	0.9
179.10706	8.9
181.12187	1.1
185.11743	1.3
191.05557	5.6
197.11757	100.0
198.12091	5.5
209.11761	61.5
210.12086	2.3
223.09590	1.1
226.61156	1.0
227.12842	3.9
235.08046	1.1
241.10663	5.8
253.09196	4.4
262.51968	0.8
269.34967	0.9
353.18158	1.1
427.28653	1.1
453.15845	0.9
477.19781	3.1
524.76282	1.1
616.64124	1.0
687.32263	86.8
688.32697	16.0
719.34937	24.0
720.34961	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	719.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.3
59.01247	10.4
61.98689	0.7
67.01736	0.7
69.03318	1.5
71.01254	10.9
71.04892	0.9
71.08510	1.7
72.99165	1.5
73.02827	2.0
80.02529	1.8
81.03329	2.7
83.01250	2.2
83.04903	10.4
84.02035	1.8
85.02825	6.4
87.00761	3.7
89.02292	5.3
93.03351	4.9
95.01260	1.5
96.95888	5.7
97.06447	1.1
97.49934	0.9
99.00735	1.4
101.02326	8.1
104.02053	0.7
109.06447	0.9
111.04347	1.4
113.02334	5.3
119.03376	1.5
125.09628	1.1
127.00175	0.7
135.08018	1.0
137.42986	0.8
151.11208	4.0
153.12688	1.6
155.03539	1.2
161.04422	3.5
163.11169	5.4
165.12785	4.3
169.12248	49.5
170.12576	1.9
171.10158	1.5
173.04474	3.0
179.05638	0.9
179.10667	1.4
191.05533	21.2
191.10628	1.9
192.05956	1.9
197.11761	93.0
198.12111	3.8
207.10161	1.2
209.11760	100.0
210.12114	6.2
215.07079	2.5
227.12827	9.5
228.13396	0.9
235.08131	2.0
253.09247	7.7
259.69556	0.8
295.36237	0.9
301.11023	1.4
413.89600	0.7
414.60373	1.0
433.20816	1.6
439.94598	0.8
512.81146	0.8
545.20209	1.3
687.32275	72.7
688.32788	9.7
719.34991	62.5
720.35486	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	721.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03318	2.3
59.01250	13.3
61.98685	3.0
68.97845	0.9
68.99683	1.0
69.03322	2.2
71.01254	13.2
71.04893	4.7
71.59627	1.7
72.99174	2.2
73.02812	3.0
78.95766	1.1
80.02555	2.3
81.03322	2.1
83.01235	1.4
83.04896	5.7
84.02032	1.1
85.02798	6.2
87.00737	3.6
88.98661	1.3
89.02321	8.3
93.03341	6.8
95.01264	1.9
96.95345	1.0
96.95877	6.0
96.99253	1.0
97.02824	5.3
97.06468	3.7
99.00752	21.2
101.02312	7.6
109.06473	3.3
110.03591	1.8
111.04385	1.4
113.02325	4.2
117.73203	0.9
119.03392	1.8
122.02341	1.7
123.08067	2.1
125.09619	8.4
127.03883	1.1
129.01773	1.4
135.04443	1.9
135.08029	1.1
137.09720	0.9
142.02615	1.3
155.03398	1.8
161.04362	2.0
161.09589	1.1
163.11180	15.2
164.11574	1.0
165.12782	2.6
169.12210	1.6
171.10138	3.9
173.04413	4.6
179.05527	1.9
179.10635	1.1
181.12262	21.8
181.13855	1.2
191.05504	23.2
191.10770	1.1
192.05887	2.6
197.11794	2.3
199.13327	24.3
200.04669	1.0
200.13542	1.0
207.10188	38.0
207.12166	2.2
209.11754	92.7
210.12083	4.6
215.12827	1.5
217.08553	1.1
225.11269	69.7
226.11580	2.5
227.12834	10.1
235.09692	1.7
243.12335	17.7
253.09251	6.4
426.11960	1.0
461.20447	7.5
479.21191	2.5
523.32635	1.4
579.66351	1.0
653.31635	3.5
671.33008	3.6
689.33844	100.0
690.34247	14.6
721.36627	36.8
722.37408	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	721.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.03313	2.4
59.01249	7.6
61.98700	1.3
67.01767	1.5
69.03331	1.5
69.81519	4.2
71.01253	8.2
71.04885	4.6
72.79049	0.6
72.99158	1.6
73.02812	2.0
81.03325	1.8
83.01262	1.8
83.04886	6.0
84.02038	0.8
85.02827	4.4
87.00743	2.4
87.04360	0.7
89.02307	5.1
93.03343	2.7
95.01274	1.6
95.04891	1.2
96.95878	4.3
97.02821	3.7
97.06426	3.1
98.20435	1.2
99.00757	20.8
101.02319	6.1
109.02842	0.8
109.06474	2.4
110.03604	0.8
111.04362	1.2
113.02297	3.4
115.00234	1.0
119.03384	0.9
121.09247	0.7
123.08012	1.9
125.09618	8.5
131.03438	0.7
135.04468	1.1
135.08026	1.3
142.02573	1.3
143.03439	0.8
155.03407	1.1
155.14407	1.0
161.04529	1.2
163.11194	13.9
164.11543	1.2
165.12740	2.3
169.12259	1.1
171.10193	4.8
173.04456	2.9
174.04784	0.8
179.05528	1.5
179.10616	0.8
181.12254	18.4
191.05533	16.7
192.05812	1.2
197.11700	3.7
199.13310	13.2
201.11229	0.9
207.10194	27.0
207.12175	1.6
208.10527	1.8
209.11766	48.9
210.12151	3.3
225.11267	43.4
225.13548	1.3
226.11568	2.1
227.12852	3.9
243.12341	21.8
244.12697	1.1
253.09265	3.0
345.29178	0.7
392.72336	0.9
406.46185	0.7
438.17691	0.8
461.20346	3.4
479.21387	8.0
500.45544	0.8
636.66296	0.7
671.32440	3.7
689.33844	100.0
690.34155	12.4
721.37103	7.7
722.36853	1.2
724.51917	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	721.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.9
59.01249	35.9
69.38146	7.3
71.01253	6.5
73.02809	1.9
73.89670	0.7
76.94557	0.9
78.71108	0.8
78.95774	1.0
80.96390	1.2
83.04881	1.8
85.02819	1.5
87.00750	1.6
89.02319	4.7
93.03352	1.3
95.01257	1.9
95.04885	4.8
97.02812	3.1
99.00777	0.8
99.04369	1.2
101.02325	5.7
109.02796	0.9
109.06467	10.9
110.03604	2.0
111.04420	1.8
113.02332	2.5
119.03411	1.9
125.09603	1.0
125.54717	0.7
135.08055	1.7
161.04471	1.9
161.09590	1.7
163.11174	10.2
179.05508	2.5
179.10640	1.8
181.12260	2.0
189.09135	4.8
197.11708	1.6
207.10184	38.4
208.10466	1.4
209.11766	1.1
225.11256	100.0
226.11560	4.1
235.08231	4.0
253.09212	10.9
277.21695	61.7
278.21988	4.5
299.14862	0.8
310.33047	0.8
443.19144	6.1
444.19098	1.0
461.20294	16.5
462.20560	1.6
721.41302	10.8
722.41675	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10985	1.6
57.55337	1.6
59.01248	4.3
61.98697	4.5
65.60417	1.7
71.01255	4.9
71.03958	1.7
71.58958	3.0
78.95755	3.7
89.67307	1.8
93.03348	3.1
96.95873	3.8
152.99466	2.2
171.10141	2.3
176.47804	2.0
186.76469	1.7
191.05513	4.5
209.11720	4.1
293.21277	3.6
311.22226	3.3
319.15805	3.2
333.19308	2.6
347.15271	3.8
349.16949	100.0
350.17380	8.6
363.14911	2.0
364.58398	2.2
367.18289	2.4
371.17957	6.3
371.46317	1.9
381.16147	8.6
409.18985	22.7
411.16965	2.6
643.38623	7.3
661.39984	48.8
662.40131	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	722.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.6
57.03323	2.9
58.00465	1.4
59.01248	22.1
68.99670	0.4
69.46058	2.3
69.46477	0.5
71.01252	25.9
72.99168	1.9
73.02818	12.9
75.00729	0.4
76.76672	0.3
81.03321	0.7
82.12284	0.3
83.01255	10.6
85.02820	17.1
86.03138	0.4
87.00750	1.6
89.02296	2.7
93.03331	1.1
95.01274	1.4
97.02798	1.0
99.00758	5.0
101.02319	51.6
102.02628	1.0
111.00761	1.4
111.04397	0.3
113.02330	10.8
116.04949	0.5
119.03408	0.3
125.02335	0.8
128.04959	1.5
129.01808	0.7
130.06514	31.6
131.06892	1.7
133.02890	0.5
142.06508	3.8
143.03394	0.9
144.08058	1.1
154.06578	0.7
159.02855	0.7
161.04422	2.4
170.06021	0.9
172.07590	6.6
173.04420	0.6
173.07988	0.5
174.05507	1.3
188.07085	1.3
191.05513	1.6
200.07109	11.0
201.07437	0.8
214.08658	1.1
243.22052	0.3
292.11893	54.9
293.12262	3.7
336.10861	100.0
337.11200	8.3
440.20319	0.4
543.14197	0.4
543.42914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36554	1.0
57.03327	1.6
59.01253	6.0
59.51913	1.3
64.40876	1.1
67.01750	1.8
67.95502	1.2
69.03320	1.4
69.54807	2.8
69.55228	5.3
71.01241	7.8
79.95592	1.7
83.04926	2.4
85.02818	4.5
87.00748	3.2
87.94376	1.0
89.02306	4.7
89.03826	1.3
93.03334	17.3
95.01263	1.3
95.04878	3.7
96.95882	37.0
98.95457	1.7
101.02307	3.4
105.03339	15.1
109.02840	1.8
111.00773	2.1
111.04389	10.1
113.02381	2.1
121.02836	3.1
127.03922	1.5
132.02081	1.6
132.42241	1.1
133.02838	100.0
134.03632	20.7
135.04401	25.6
137.02335	17.8
139.03928	5.6
149.05870	1.2
150.03114	2.5
151.00124	1.1
151.03894	1.2
155.03392	9.4
159.04378	2.2
161.02414	6.6
162.03012	1.8
173.02873	1.4
173.04453	28.8
176.04694	3.6
177.01836	45.0
178.02621	43.9
179.03386	13.8
179.05057	1.5
179.05536	1.5
189.30052	1.1
191.04245	1.1
191.05533	26.6
191.07054	2.4
192.05745	2.7
193.04964	32.2
201.11130	1.1
203.03416	2.6
211.07616	1.2
240.52528	1.3
249.85855	1.3
253.04562	2.3
295.06110	1.6
339.04797	1.7
351.07211	11.6
352.07632	2.2
369.09744	81.9
370.10141	5.7
543.15161	3.7
549.16254	4.5
713.40564	1.4
723.21112	34.1
724.21863	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	723.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92059	0.5
52.54770	0.5
58.36340	0.5
59.01245	2.8
64.30219	0.5
67.01736	1.2
71.01245	2.3
71.59101	0.7
73.87783	0.5
85.02827	6.6
87.00762	2.5
88.75505	0.5
89.02315	1.3
93.03333	7.4
96.95892	1.8
101.02309	1.8
101.06010	0.5
111.04400	1.6
111.69289	0.5
113.02296	0.8
115.00275	0.5
119.04906	1.3
127.03915	1.3
129.01849	0.7
133.02814	2.7
135.04402	1.7
137.02357	0.6
138.05560	0.9
143.03296	0.6
145.02856	1.1
155.03419	1.3
163.03867	0.8
171.02853	0.7
173.04445	4.8
177.01830	1.9
178.02614	1.8
179.03311	0.9
179.05484	0.6
189.79085	0.5
191.05536	100.0
192.05771	2.6
206.08292	0.7
337.09271	24.7
338.09482	2.0
339.85132	0.5
369.09659	1.3
527.12286	0.7
543.15070	1.8
723.21875	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	723.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90595	1.4
55.06294	1.4
57.03314	3.8
58.00463	1.8
59.01247	35.2
59.06192	1.4
61.98687	5.9
62.52298	1.3
62.94223	1.2
68.99670	2.0
69.03313	5.0
69.39864	1.4
69.46474	5.6
69.46903	7.2
71.01245	35.8
71.04892	1.8
72.99176	4.8
73.02804	4.9
74.35993	1.6
75.00753	2.9
78.95773	1.5
81.03301	1.9
83.01286	1.9
83.04869	2.2
85.02823	13.5
87.00749	10.4
89.02309	25.5
93.03354	9.0
95.01230	1.7
95.04878	1.8
96.95882	7.8
97.02818	5.3
97.06506	2.8
98.19792	3.0
99.00750	3.7
101.02316	23.8
102.32234	1.4
107.04930	1.9
109.02822	2.6
109.06463	4.7
111.00717	1.8
111.04374	3.2
113.02325	10.2
119.03369	6.0
121.02782	1.8
123.04377	5.4
123.08082	6.8
125.02324	6.1
125.09617	5.0
127.03915	2.4
131.55373	1.4
134.03459	1.5
135.04433	4.7
135.08067	1.7
137.02322	1.7
139.11140	3.0
141.09129	1.6
142.02536	1.7
143.03383	2.5
149.06023	1.9
151.11169	2.1
155.03397	3.0
155.08176	1.4
163.11241	2.4
171.10126	10.0
173.04430	7.6
173.05916	2.8
177.12683	1.5
177.44086	1.4
179.03542	2.2
179.05548	4.3
181.12248	1.7
187.03722	2.3
187.07657	1.9
191.05530	45.2
192.05861	2.7
197.11739	3.8
199.13321	14.2
201.11255	11.1
207.10162	2.6
209.11765	14.1
210.12057	2.3
211.13202	1.8
213.11241	3.3
215.07098	2.9
221.06448	1.9
221.11859	2.0
225.11250	4.5
227.12793	5.9
235.07953	1.7
238.12120	2.4
242.02133	2.3
245.19078	7.5
247.17047	2.2
253.09348	2.3
259.02542	1.8
271.02551	1.6
289.18045	31.3
290.18405	4.3
291.19659	2.2
299.01993	3.6
300.02658	3.2
307.19104	42.0
308.19394	3.2
325.20172	22.1
326.20193	2.4
331.19043	1.9
397.13672	2.5
415.14572	14.0
421.97467	1.7
451.57452	1.7
477.30344	1.5
501.32407	2.5
594.12396	2.5
705.33405	5.0
723.34448	100.0
724.34949	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	723.381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.0
57.03308	1.2
58.00462	0.5
59.00986	0.7
59.01254	8.9
69.03322	0.9
71.01250	10.7
71.04855	0.5
71.58873	0.5
72.99178	0.7
73.02815	1.1
81.03310	0.5
83.01264	1.7
85.02832	4.8
87.00766	1.4
89.02306	2.7
93.03321	2.4
95.01237	0.7
96.95890	1.7
99.00740	0.9
101.02316	5.3
107.01274	0.8
109.02827	0.5
111.00783	1.0
111.04430	0.6
113.02318	2.5
119.03384	1.3
124.01511	0.6
125.02374	0.7
127.03920	0.5
133.02806	0.5
134.03635	0.5
135.04419	1.0
151.00262	2.5
152.01050	0.7
153.12759	0.6
155.03358	1.2
169.01271	0.9
173.04529	2.0
178.99785	2.9
179.03384	0.6
181.12286	1.6
191.05537	13.3
192.05901	1.1
199.13338	8.6
215.07039	0.6
342.07312	0.4
343.17691	2.6
361.18658	100.0
362.19031	8.1
429.11926	0.8
691.18994	0.7
723.20764	3.7
723.49359	0.5
724.22119	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	723.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.6
70.01286	5.8
73.13549	1.2
78.95774	33.9
80.02555	1.9
81.03331	1.6
83.04883	7.7
95.04915	1.1
96.96827	2.3
109.06458	1.5
111.20777	1.3
135.08051	1.9
152.99486	42.9
153.00737	2.2
163.11107	6.7
165.12796	2.5
171.00522	5.4
186.95389	1.2
207.10208	3.9
209.11760	100.0
210.10168	1.2
210.12146	3.2
225.11165	1.5
227.03217	4.6
227.12857	10.7
245.04335	1.5
253.21706	20.2
277.21796	2.4
279.23312	3.1
363.12201	2.8
374.14352	1.4
395.14532	1.8
437.15793	3.9
455.16782	8.7
469.17950	1.3
487.19498	73.5
488.19910	8.2
626.64709	1.4
691.38214	4.8
723.40833	58.1
724.41418	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	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47485	0.3
56.86974	0.2
59.01251	5.7
60.73219	0.2
71.01247	3.1
71.59241	0.2
73.02811	0.5
78.95769	1.2
80.02551	1.0
81.03330	1.3
83.01259	0.4
83.04890	4.4
84.02045	0.7
85.02818	0.7
85.03303	0.3
87.00759	0.3
89.02324	2.0
93.03342	0.3
95.04896	0.5
97.02850	0.2
101.02319	2.3
109.06471	0.3
110.28746	0.2
111.08006	0.3
113.02332	1.1
119.03363	0.4
125.06026	0.3
135.08008	0.6
143.03476	0.3
147.08105	0.3
152.99504	1.0
154.80794	0.3
161.04451	1.0
163.11212	3.4
164.11494	0.3
165.12752	2.4
179.05473	0.4
182.41791	0.2
191.10727	0.6
199.13301	0.3
207.10263	1.0
208.10486	0.4
209.11765	100.0
210.12093	5.3
225.11278	1.0
226.11548	0.6
227.12836	11.0
228.13062	0.6
235.08134	1.7
253.09230	7.4
254.09685	0.4
277.21707	48.9
278.22049	4.7
279.23294	1.3
337.89246	0.2
410.33444	0.3
445.20682	0.8
469.14743	0.5
679.37445	0.3
705.36115	0.9
718.62427	0.3
723.42981	0.6
745.46405	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	724.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	6.5
59.03129	0.6
65.61053	0.7
69.03329	0.8
69.77134	3.9
71.01252	5.9
73.02816	1.1
79.46159	0.6
83.01273	1.1
85.02808	3.8
87.00753	1.7
89.02313	2.2
93.03329	3.5
94.03654	1.0
96.95907	0.7
101.02322	6.3
111.04457	1.0
113.02322	1.6
116.04943	67.6
117.05278	2.1
118.15944	0.7
119.03345	1.3
121.32904	0.7
130.06512	2.2
136.07605	3.3
137.07948	1.1
158.06004	1.5
160.03943	100.0
161.04335	6.3
172.04007	0.9
173.04454	2.6
178.12622	0.6
191.04012	0.5
191.05518	13.7
192.05923	1.3
242.16612	0.7
263.15097	0.7
264.07452	0.7
269.10284	7.2
320.06754	0.9
321.07166	0.9
321.15140	1.0
322.09305	28.0
322.15167	1.2
323.09634	2.1
352.08826	1.1
398.41669	0.7
401.14554	11.5
401.48666	0.7
402.14966	1.0
405.75293	0.6
413.50018	0.8
515.72754	0.7
543.15277	1.0
544.15326	1.2
554.65424	0.7
724.21698	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	725.1932
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
56.99205	0.7
59.01245	1.0
61.49511	0.8
65.00185	1.1
67.01759	0.8
69.34381	4.3
69.34808	3.5
83.95630	0.8
85.02836	1.7
87.00713	1.0
90.25825	0.7
93.03339	3.8
98.20471	1.8
107.01257	2.2
113.59210	1.0
132.02063	1.3
133.02852	1.0
135.71368	0.8
137.06209	0.8
145.02762	0.9
151.00188	3.7
163.00218	1.5
163.25006	0.7
173.04451	2.7
178.99844	2.1
183.04449	1.1
187.03911	1.3
191.05525	19.3
211.04088	1.8
227.03445	42.6
228.03790	2.5
229.05026	3.5
249.78883	0.8
255.02954	80.3
256.03479	7.0
257.04492	3.9
283.02426	2.8
284.03238	100.0
285.03967	29.4
286.04401	1.7
337.09247	1.2
407.53354	0.9
458.28156	0.9
551.16980	1.1
725.19342	91.9
726.19653	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	725.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	9.4
59.01256	3.1
61.98713	0.5
67.46098	0.4
69.03310	0.6
71.01250	5.9
71.59444	0.5
72.99185	0.5
73.02815	1.1
83.01308	0.6
83.04888	1.0
85.02825	3.3
85.06462	0.4
87.00752	0.8
89.02333	1.1
93.03349	2.1
95.04903	1.4
96.95875	0.7
97.02869	0.4
99.00729	0.6
99.08034	38.0
100.08376	0.9
101.02314	2.1
105.03263	0.4
109.02863	0.4
109.06462	1.1
111.04401	0.5
113.02333	1.8
119.03366	0.4
123.04407	83.1
124.04749	2.2
127.07540	53.3
128.07883	1.6
129.05466	38.8
130.05779	1.1
134.93433	0.4
135.04459	0.9
138.03093	1.2
149.02390	0.4
153.05478	47.1
154.05826	1.6
155.03404	0.6
159.02846	0.6
161.04494	4.7
171.06537	10.9
171.10175	1.2
173.04442	2.0
179.03412	0.4
185.34688	0.4
189.07614	3.0
191.05537	11.2
192.05795	0.8
201.09496	0.4
201.11275	0.9
209.11751	8.0
210.12074	0.8
227.12871	2.7
275.09256	0.5
285.09796	16.0
286.10071	0.9
308.53751	0.5
327.21735	0.9
374.61392	0.4
415.14890	0.5
420.43301	0.4
439.15961	0.7
457.17136	100.0
458.17468	9.2
503.33670	0.5
545.20038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	1.3
60.03577	1.0
61.49837	1.1
63.96096	1.3
67.94891	1.0
71.01248	6.8
71.65022	1.0
78.95769	8.7
78.98460	6.8
79.95608	10.3
80.96389	68.5
83.04871	1.6
85.02827	2.3
87.00724	2.0
91.19476	1.1
94.06107	1.0
94.97958	18.4
96.95890	2.0
96.96815	1.6
97.02803	2.6
101.02306	3.2
106.97949	2.8
122.97430	2.5
125.02330	2.6
125.09582	2.0
134.97456	5.4
136.99071	1.1
148.99043	5.7
152.98471	4.4
152.99562	4.9
164.98541	12.6
171.10156	6.9
187.09560	1.5
191.10670	1.1
206.99586	2.0
207.10130	4.4
209.11768	20.1
210.12042	2.5
225.00688	20.5
225.11183	1.4
227.12727	4.0
235.08031	1.8
238.83733	1.0
241.01097	3.4
253.09160	3.0
255.23267	15.1
279.23318	13.4
281.24902	9.9
282.24564	1.0
336.53055	1.0
362.60123	1.0
469.13651	2.8
489.19696	1.3
537.27045	1.6
725.37750	100.0
726.38153	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	725.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	2.4
59.01248	46.5
61.98705	6.0
64.59792	1.5
69.03326	1.9
70.08640	2.4
70.09045	4.0
71.01251	31.1
72.99166	3.6
73.02809	4.7
78.95780	2.1
81.03322	2.7
83.01228	2.8
85.02814	8.4
87.00740	6.5
89.02309	23.4
89.64906	1.2
95.01253	2.8
96.95855	2.0
97.02811	6.5
99.00742	2.8
101.02321	25.5
113.02333	10.2
119.03392	5.9
125.02309	10.4
140.40071	1.3
143.03357	4.0
152.99518	1.2
161.04440	5.9
169.05046	1.4
179.05492	4.6
191.05562	4.0
196.68985	1.2
221.06573	1.8
235.08168	10.4
253.09233	3.4
267.23267	93.2
268.23566	3.9
287.07620	3.8
305.08679	3.8
397.13467	100.0
398.13718	6.0
415.14514	35.3
416.15079	1.8
462.62726	1.2
515.65448	1.2
550.72058	1.4
555.56006	1.2
665.37891	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	727.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01031	1.8
59.01247	19.1
59.58561	1.8
62.16108	2.1
65.03845	2.0
67.01733	2.6
68.99693	20.8
69.03313	2.9
71.01258	16.9
72.99168	4.5
85.02804	8.2
87.00746	4.5
89.02326	14.1
93.03336	10.4
95.01260	27.8
96.95886	1.9
98.19813	4.7
101.02322	42.3
111.04378	2.3
113.02293	5.1
119.03376	5.4
119.04907	3.5
123.04397	22.7
133.02859	2.9
134.03606	5.8
135.04387	7.8
137.02342	3.5
149.06027	2.6
150.54866	1.9
155.03404	100.0
156.03729	2.9
161.02371	3.5
161.04382	3.2
163.03897	5.6
164.04259	3.4
173.04431	6.8
178.02625	4.2
179.03375	2.3
179.05545	4.4
179.06985	3.2
191.05548	47.2
192.05850	5.0
193.01407	2.8
193.04921	11.5
229.04259	6.0
229.54265	2.5
271.02420	2.9
281.06653	7.4
300.02530	3.9
341.12451	9.7
403.16031	11.0
435.15048	29.6
487.18433	2.4
487.71637	2.3
494.52866	2.4
505.19107	34.1
506.19528	3.3
667.24664	11.7
727.22260	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	727.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.8
58.00456	1.3
59.01247	33.0
60.51064	1.3
61.98708	2.1
69.03314	1.2
71.00883	2.4
71.01253	30.9
72.99171	2.4
73.02793	6.0
78.95763	4.8
79.33595	1.2
83.01273	3.3
85.02807	7.1
87.00761	6.5
89.02317	23.3
95.01240	2.8
97.02818	5.1
98.06842	1.2
98.20602	2.6
99.00761	2.0
101.01682	2.5
101.02320	25.6
102.35886	1.2
108.90112	1.3
113.02298	13.1
119.03403	5.6
121.02879	1.3
125.02314	9.0
143.03377	3.6
152.99481	2.9
161.04449	4.2
171.10173	3.1
172.10542	2.0
179.05510	4.6
235.08208	9.7
255.23126	2.3
269.24820	80.3
270.25174	7.2
287.07739	3.1
305.08768	3.6
397.13446	100.0
398.13638	6.2
415.14526	28.2
667.39136	3.9
709.38837	2.3
727.38892	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	729.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.8
58.00451	1.7
59.01247	30.8
61.98680	3.4
67.01736	2.9
67.76346	0.7
68.99685	27.2
69.03326	7.6
70.65648	2.6
71.00889	1.4
71.01248	20.8
72.99173	3.1
73.02802	3.2
75.00735	1.0
78.95786	1.2
79.95597	1.3
83.01252	1.7
83.04890	1.4
85.02814	10.8
87.00745	6.1
89.02319	12.6
93.03321	10.7
95.01260	24.4
96.95883	49.1
97.02841	5.0
99.00751	1.0
101.02318	56.4
108.02021	1.0
109.02835	4.4
109.06483	14.0
111.04392	1.3
113.02322	10.9
119.03365	4.4
121.02838	9.5
121.06417	1.0
123.00765	1.5
123.04409	15.2
125.02309	1.9
127.03909	1.8
129.01826	1.1
133.02872	1.1
135.04398	2.9
135.08044	38.2
136.08347	2.1
137.02357	4.8
137.05988	1.2
147.04405	1.8
149.02351	6.0
151.03879	2.0
153.09113	23.8
154.09367	1.1
155.03395	100.0
156.03673	3.6
161.02293	1.5
161.04471	1.6
163.11328	1.0
165.01738	1.5
165.05461	4.8
169.05005	4.4
173.04486	4.1
175.03896	1.2
179.03381	2.1
179.06993	2.0
191.05534	30.5
192.05829	1.4
195.06459	1.2
197.04439	3.5
197.08110	26.6
207.10123	1.2
209.04443	1.8
209.11815	4.2
211.09694	6.2
213.59056	0.8
227.05627	1.4
227.12955	1.1
231.10210	1.9
277.07138	1.1
293.04221	1.2
339.10925	1.1
421.14926	1.2
465.18246	8.9
497.16611	25.1
498.16998	2.9
535.18286	6.7
539.17798	1.3
549.19684	5.1
567.20526	1.3
567.31232	1.5
701.76648	1.1
729.26019	86.1
730.26318	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	729.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.9
57.03329	3.5
59.01250	38.3
59.45819	2.5
59.47422	2.3
60.42010	2.3
61.98700	10.9
69.03310	5.0
71.01242	19.6
71.59412	4.6
71.75890	3.0
72.99171	2.4
73.02818	4.4
76.09448	2.5
80.02568	2.7
81.03344	7.3
83.01298	2.8
83.04900	7.0
85.02830	10.8
87.00735	4.8
89.02308	7.0
93.03335	7.1
95.04949	3.1
96.95861	7.5
97.02822	10.8
97.06456	3.0
101.02318	13.3
102.54060	2.6
105.08394	2.5
107.04934	3.5
108.93626	3.4
109.06464	53.1
113.02329	8.2
121.06436	3.0
123.04329	2.9
125.09603	14.2
133.02763	2.7
134.03653	2.4
135.04411	7.8
135.08047	6.2
142.02661	3.5
150.94763	4.6
161.02538	2.6
163.11200	30.1
171.10236	5.3
173.04462	7.0
173.05894	2.9
174.09937	2.4
181.12323	6.1
185.11777	2.5
187.07629	2.9
187.09642	4.5
191.05530	40.9
191.10756	3.5
201.11273	8.6
207.10196	100.0
208.10564	6.0
209.11749	17.8
211.13324	4.3
223.09753	2.7
225.09041	1.8
225.11278	51.4
226.11671	2.5
232.28090	3.2
233.02588	13.0
235.04103	3.7
245.02611	10.8
247.04057	3.9
253.09264	11.7
255.23167	5.5
263.13028	3.2
275.03674	55.1
276.03949	3.0
280.72308	2.6
287.03708	8.0
315.57822	2.6
319.16052	2.4
371.18243	3.2
371.22424	2.8
383.13040	22.0
387.21780	4.3
389.19550	4.0
397.20282	7.5
401.14102	20.6
415.21146	14.3
433.22101	6.1
442.81900	2.8
443.19165	2.7
461.20459	12.6
598.30353	3.0
607.27411	11.4
625.28552	22.6
626.28491	4.3
633.29071	8.7
651.30212	50.9
652.30249	7.5
669.31110	26.3
670.31366	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	730.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48642	1.4
59.01250	27.7
60.86212	1.2
61.98696	2.8
66.01501	1.3
66.03362	1.2
67.01764	12.0
68.99683	18.4
69.03328	4.8
71.01250	22.3
71.25635	1.4
71.58866	1.2
71.59249	2.2
72.99181	2.5
73.02818	1.4
82.35629	1.5
85.02824	7.6
87.00764	6.2
89.02322	19.8
93.03344	11.8
95.01254	2.1
95.04917	5.4
96.95870	9.7
97.02888	1.6
99.00754	2.0
101.02320	41.8
104.21696	1.5
109.02855	2.1
111.04387	1.9
113.02358	6.7
119.03399	9.3
119.04927	2.1
120.99541	9.6
122.02373	8.2
127.03899	20.2
129.01917	1.3
135.04402	4.4
136.57137	1.5
137.02309	1.4
143.03473	2.0
145.03970	100.0
146.04306	3.9
149.02321	1.7
151.03964	1.5
155.03403	1.8
161.04462	2.1
163.03922	1.9
165.05533	2.1
173.04474	7.7
179.03471	1.8
179.05525	10.0
185.07170	7.3
191.05521	45.5
192.05904	6.8
195.06606	1.5
209.11794	3.9
227.12907	2.0
239.15726	1.7
274.10858	2.2
275.71555	1.4
326.15033	13.2
327.15213	1.8
352.07990	2.8
374.06207	1.9
406.17776	2.6
438.16702	12.5
440.14948	2.2
449.14365	3.0
490.20114	2.7
508.20740	5.6
525.41467	1.5
670.25812	7.6
730.26782	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	731.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55819	0.8
57.03301	0.9
59.01249	11.0
64.57130	1.0
69.03329	1.2
71.01250	13.5
71.59544	1.4
72.99189	1.4
73.02827	1.8
75.00747	1.0
81.11790	0.8
83.01252	1.6
85.02814	6.8
85.13116	0.8
87.00766	2.1
89.02303	3.5
93.03340	3.2
96.95895	4.8
101.02335	3.8
107.03541	0.8
111.00735	1.0
113.02341	2.5
119.03373	1.1
135.04422	2.8
142.95702	0.9
161.04385	1.0
173.04486	2.9
176.64665	1.0
180.17941	1.0
181.54027	0.9
185.00786	1.0
186.84479	0.8
191.05534	22.7
192.05907	1.5
199.13336	10.0
250.55666	1.0
309.97922	1.1
333.43118	0.9
343.17578	2.0
352.07822	1.6
361.18655	100.0
362.18924	9.4
378.36044	1.1
439.14005	1.3
539.22815	1.2
545.25922	1.4
731.26428	1.2
732.26740	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	734.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.5
61.98697	100.0
62.98392	0.2
68.33729	0.1
70.54259	0.4
70.54617	0.2
71.01253	0.4
75.58961	0.1
80.96393	0.3
85.02827	0.3
87.00793	0.2
89.02309	0.2
93.03333	0.6
96.95893	0.6
97.02854	0.1
99.75463	0.1
101.02322	0.3
135.04436	0.4
135.53369	0.1
152.34969	0.1
154.94290	0.1
156.76178	0.1
173.04518	0.4
191.05519	2.2
192.05934	0.3
207.10196	0.2
209.11783	0.6
210.12085	0.3
211.13429	0.2
215.06978	0.2
225.93224	0.2
247.10231	0.1
359.03189	0.1
375.32742	0.1
508.44495	0.2
734.29724	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	735.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	9.2
60.70343	1.3
69.59982	1.5
69.65421	1.3
71.01249	80.4
72.01579	1.3
73.02805	2.7
78.95788	1.7
80.96394	1.9
85.02853	1.6
87.00756	1.7
89.02313	2.8
96.95847	1.4
101.02315	2.3
109.06454	3.2
125.09644	1.6
168.83862	1.6
171.10182	45.6
172.10510	1.7
181.12230	2.0
199.09700	4.3
201.11241	5.8
207.10207	5.3
213.62262	1.3
225.11298	5.3
235.08188	3.0
253.09262	6.4
255.23259	100.0
256.23514	7.5
277.21677	2.3
443.19406	1.7
525.03754	1.5
560.51349	1.6
699.43683	2.1
735.45599	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	735.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24158	0.8
55.51836	0.9
59.01252	7.4
71.01249	80.9
72.01584	1.2
78.95770	5.6
80.96385	0.9
85.02814	1.0
87.00742	2.2
88.37550	0.8
89.02296	1.6
99.00721	1.3
101.02331	2.8
113.02307	1.7
125.09632	1.3
127.11221	1.6
161.04422	1.8
163.11169	1.2
165.62758	0.8
171.10161	43.1
199.09720	4.7
199.32010	1.1
201.11278	5.4
207.10188	5.9
215.13010	0.9
221.11681	1.0
225.11279	6.0
235.08105	5.1
243.12321	1.2
253.09198	5.9
255.23247	100.0
256.23596	5.8
610.09070	1.1
699.43219	1.4
735.45471	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	737.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11350	0.6
59.01241	2.5
60.76500	0.5
60.99179	1.5
64.74944	0.4
67.01762	3.1
68.75398	0.4
69.03312	0.9
69.59631	0.8
69.60035	2.7
71.01239	3.5
73.02808	0.6
78.48067	0.4
81.03342	1.1
83.04917	1.1
85.02814	7.4
87.00750	5.9
93.03329	27.6
94.03650	0.8
95.04890	1.7
99.00758	0.8
99.04400	0.9
105.03333	5.1
107.04892	2.3
108.02079	0.8
109.02824	8.0
111.00774	0.7
111.04403	5.4
113.02325	0.6
117.03365	0.7
121.02795	0.8
123.04398	2.1
124.01566	1.3
125.02382	1.4
127.03926	2.4
129.01819	0.5
130.30750	0.5
132.02071	0.6
133.02838	39.8
134.03589	1.7
135.04408	43.1
136.04776	1.5
137.02344	1.6
148.35693	0.5
149.02299	0.9
150.03123	2.7
151.03902	4.3
155.03418	1.4
161.02332	4.4
161.05984	0.5
169.12263	1.7
171.02991	0.8
173.04459	25.1
174.04810	1.0
177.00299	0.9
177.01839	15.1
178.02367	1.1
179.03406	11.7
180.03868	0.7
191.05527	100.0
192.05850	3.6
195.03033	0.5
197.11732	2.6
201.11255	2.2
209.11703	2.5
215.05544	22.6
216.05780	0.9
227.12787	1.1
307.08267	3.6
308.08856	1.5
351.07181	64.1
352.07672	8.1
353.08768	9.5
354.08856	0.9
414.49490	0.5
545.19843	1.3
563.21326	1.4
579.97968	0.5
705.33545	1.0
737.26337	26.4
738.26575	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	737.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75852	0.6
59.01249	3.8
61.98691	1.2
63.96107	2.2
69.03325	1.3
71.00878	1.2
71.01247	12.0
72.99182	1.1
73.02811	3.1
78.98463	7.6
79.95605	16.4
79.96076	0.8
80.96387	93.9
81.03335	1.4
83.01295	1.2
83.04953	0.6
85.02821	6.7
87.00742	6.5
89.02314	0.8
93.03343	5.6
94.97958	19.6
94.98870	0.8
96.01592	0.6
96.95883	4.9
97.02825	1.5
98.19820	1.5
99.00762	1.7
101.02319	4.8
106.97951	3.0
109.02869	1.1
111.00784	1.0
111.04332	0.9
113.02332	1.0
122.97478	4.7
125.02360	3.9
125.50349	0.7
127.03879	1.3
134.97472	7.1
136.99030	2.4
148.99034	8.1
152.98537	7.9
155.03403	1.2
163.11180	0.9
164.98537	15.5
173.04475	3.4
191.05524	19.7
192.05887	1.1
197.11766	0.9
201.11443	0.7
206.99583	4.2
209.11755	5.8
215.06856	0.8
225.00688	29.2
226.00931	1.2
229.21667	0.9
276.59830	0.7
292.58426	0.7
452.06387	0.8
509.16782	4.7
545.20178	1.2
737.30511	100.0
738.31146	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.4
59.01255	11.0
61.98713	1.4
65.14128	1.0
69.03313	3.3
71.01241	6.8
71.04900	2.4
71.59208	1.4
72.99185	1.2
73.02841	1.1
78.95781	1.8
80.96366	2.0
85.02814	1.3
89.02316	2.2
96.95947	1.3
97.06503	1.0
101.02323	3.8
123.08081	1.6
125.09596	1.4
125.74223	1.3
152.99445	1.3
153.12711	1.6
161.04446	1.1
161.09607	1.9
169.12251	3.1
179.10735	4.9
197.11761	88.9
198.12061	4.8
209.11719	1.2
223.09856	1.2
225.11383	1.1
235.08160	1.6
241.10736	3.6
253.09229	4.2
277.21725	36.8
278.22083	2.4
279.23251	1.4
311.22342	1.4
477.19458	2.5
502.91379	1.2
521.01471	1.2
737.41089	100.0
738.41376	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	737.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39122	1.2
55.67359	1.5
57.84272	1.1
59.01249	13.9
61.98690	2.4
65.71863	1.4
69.03326	6.0
70.46207	2.8
70.46607	2.2
71.01243	7.0
71.04863	1.4
73.02805	1.8
78.68269	1.2
78.95774	2.4
80.96396	3.1
85.02827	2.6
87.00749	1.5
89.02308	3.0
97.02773	1.1
101.02321	3.9
107.29837	1.2
113.02297	1.6
125.09597	1.9
151.11169	2.9
152.99416	1.7
153.12778	1.6
161.04385	2.4
161.09612	5.1
169.12178	3.3
179.10664	9.2
197.11754	50.6
223.09700	1.3
235.08136	1.8
241.10786	2.7
253.09203	2.2
266.88177	1.4
274.73163	1.3
277.21695	61.6
278.22104	5.0
477.19360	1.4
737.41077	100.0
738.41339	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	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80371	0.1
59.01243	1.3
61.01702	0.1
61.98698	100.0
71.01253	1.0
72.01606	0.2
75.48196	0.1
85.02846	0.2
87.00747	0.3
89.02299	0.9
90.02645	0.1
91.02782	0.1
97.02817	0.1
98.20581	0.2
101.02320	0.8
102.02697	0.1
113.02303	0.3
119.03391	0.2
125.02379	0.2
126.02677	0.1
135.91602	0.1
139.74432	0.1
143.03403	0.1
161.04509	0.1
179.05511	0.2
196.27460	0.1
209.11774	0.3
235.08167	0.2
236.08493	0.1
264.94321	0.1
277.21686	1.4
278.22064	1.4
279.22321	0.7
280.22711	0.2
306.09045	0.1
397.13461	0.6
398.13828	1.1
399.14066	1.6
400.14316	0.8
415.14487	0.2
416.14841	0.4
417.15353	0.5
418.15366	0.3
510.76578	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.1
61.98699	100.0
70.06216	0.1
71.01261	1.1
72.99187	0.1
74.10996	0.1
81.03341	0.2
82.06775	0.1
85.02836	0.3
87.00780	0.3
89.02328	0.8
93.03394	0.2
95.01284	0.2
97.02840	0.2
101.02326	0.8
113.02327	0.4
114.02649	0.2
118.71298	0.1
119.03406	0.2
125.02364	0.2
140.45432	0.2
161.04395	0.2
163.11172	0.2
171.10222	0.2
190.05853	0.1
191.05569	0.6
207.10201	0.3
209.11748	3.0
210.12079	0.4
225.11284	0.3
225.71422	0.1
227.12886	0.4
229.64091	0.2
229.66212	0.2
235.08241	0.2
236.08633	0.3
253.09311	0.3
275.20218	0.3
277.21780	1.0
278.22034	1.3
279.22360	0.6
280.22635	0.2
291.19589	0.2
292.20099	0.2
293.21185	1.7
329.92810	0.1
397.13577	0.6
398.13843	1.2
399.13998	1.4
400.14313	0.6
415.14490	0.2
416.14990	0.3
417.15262	0.4
418.15262	0.2
543.48077	0.1
553.99982	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	740.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.8
60.01577	0.2
61.98699	100.0
62.98406	0.2
65.04555	0.1
70.34317	0.5
70.39587	0.1
71.01251	0.8
72.01589	0.2
73.02823	0.2
85.02861	0.2
87.00744	0.2
89.02322	0.7
93.77052	0.1
97.02869	0.2
101.02333	0.6
101.29249	0.1
113.02297	0.1
119.03349	0.2
125.02319	0.2
153.62041	0.1
179.05536	0.1
191.05603	0.4
209.11801	0.2
211.13365	0.2
235.08199	0.2
279.23373	0.9
280.23660	1.3
281.23865	0.6
282.24112	0.3
292.20624	0.1
336.67374	0.1
345.80927	0.1
397.13303	0.6
398.13837	0.9
399.13873	1.2
400.14319	0.7
415.14624	0.2
416.14783	0.2
417.15131	0.5
418.15469	0.3
619.64532	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25514	0.1
59.01247	2.5
60.01607	0.1
61.98699	100.0
63.92009	0.1
69.99297	0.4
69.99715	0.2
71.01249	0.3
76.04733	0.1
81.03316	0.6
83.04893	1.8
84.05233	0.6
85.02824	0.4
87.00764	0.3
92.91748	0.1
93.03306	0.5
96.95859	0.6
101.02353	0.1
119.04858	0.1
135.04466	0.1
138.61064	0.1
141.37210	0.1
141.62018	0.1
173.04501	0.3
179.03329	0.1
187.07671	0.1
191.05519	2.7
192.05861	0.3
196.28860	0.1
208.15297	0.2
223.06061	0.2
224.17706	0.1
225.16034	0.9
225.17966	0.1
226.16359	0.7
227.16605	0.2
274.00339	0.1
333.76648	0.1
398.03616	0.1
399.14935	0.2
400.61035	0.2
401.11606	0.3
451.32742	0.1
452.33508	0.3
453.33591	0.5
454.33606	0.2
552.44025	0.1
600.19147	0.1
677.49829	0.3
678.50012	1.6
679.50232	5.3
680.50494	11.1
681.50824	0.7
740.49280	1.3
741.49951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00489	0.3
59.01249	4.5
61.27195	0.3
61.98708	1.9
69.22260	0.4
71.01266	0.4
71.59064	0.7
77.03837	2.6
78.95763	0.4
83.04893	0.5
85.02826	0.6
93.03339	1.5
96.95874	0.9
101.02258	0.3
107.84518	0.4
114.16860	0.3
121.02837	100.0
122.03198	3.1
123.67316	0.4
136.10506	0.4
137.02283	0.4
139.03880	0.4
161.04453	0.4
165.01837	71.5
166.02161	2.6
171.10187	0.9
173.04416	0.6
178.56216	0.4
180.05763	0.5
181.06528	2.7
191.03433	1.2
191.05550	3.4
195.13841	0.4
207.10161	0.4
209.11752	7.0
210.12114	3.5
225.05588	1.9
227.12910	1.2
228.13123	0.4
253.09186	0.6
255.14459	0.4
275.20047	0.7
276.20441	0.5
293.21170	3.5
294.21402	3.0
295.22165	0.7
309.20584	0.6
313.07095	2.2
357.06113	10.2
358.06320	0.7
549.09698	0.4
551.86713	0.4
741.14374	4.0
742.14984	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	741.1882
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
59.01251	1.2
65.00204	1.4
65.52052	0.6
70.91950	1.5
70.92284	0.7
83.01244	1.3
85.02830	2.2
87.99423	0.8
93.03348	1.7
99.36938	0.6
107.01274	2.7
108.02068	1.9
109.02790	0.8
121.02855	0.8
128.32710	0.6
131.07048	1.1
134.03639	1.1
135.00760	1.3
135.04279	0.7
144.83403	0.6
147.18260	0.6
148.01483	1.4
150.89737	0.6
151.00252	7.4
156.39082	0.6
171.59291	0.6
173.04454	1.4
178.99768	5.2
180.00110	0.6
191.05540	19.8
192.05788	0.9
197.97005	0.6
199.03906	0.8
211.03889	1.2
216.04431	0.6
226.02742	2.0
226.22562	0.7
227.03432	6.0
228.03973	1.0
229.29639	0.6
241.89346	0.6
243.02940	11.9
244.03407	0.9
254.02219	3.1
255.02948	34.6
256.03372	2.9
271.02457	66.5
272.02975	5.9
273.04263	0.7
282.38593	0.7
284.03256	8.2
285.04013	3.1
299.01965	4.4
300.02722	100.0
301.03290	13.0
337.09180	0.8
353.08655	1.2
695.41718	0.6
741.18805	62.6
742.19037	10.7
771.30237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18996	1.7
59.01236	6.0
65.17106	1.4
69.03308	5.4
71.01251	4.7
71.04879	2.1
78.95760	5.0
89.02312	2.7
101.02318	4.0
105.52063	1.5
113.02317	3.7
116.92746	3.3
125.09556	4.0
147.08649	1.7
151.11119	1.9
152.99493	6.8
153.12798	1.7
161.09607	4.8
179.10698	6.3
197.11765	48.4
241.10748	2.2
253.09322	1.9
281.24860	95.8
282.25107	8.3
482.05594	1.8
741.44232	100.0
742.44733	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	743.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.2
58.00452	1.5
59.01247	28.3
60.77433	0.8
60.99169	1.5
61.06853	0.8
61.69580	0.8
61.98693	3.8
67.01762	4.9
68.99686	25.3
69.03325	61.4
70.03646	1.1
71.01247	26.9
71.59408	0.9
72.01576	0.7
72.99176	2.5
73.02812	6.7
75.00734	1.8
75.41477	0.9
79.01750	1.5
81.03347	1.9
82.33281	0.8
83.01256	2.2
83.04888	1.7
85.02824	26.3
85.03344	1.3
87.00764	5.0
89.02316	18.8
93.03332	24.2
95.01263	20.0
95.04861	1.1
96.95878	6.4
97.02827	60.2
98.03182	1.5
99.00748	1.2
101.02319	66.4
102.02660	1.9
105.03344	3.2
106.04104	1.3
107.04904	1.3
108.02042	2.0
109.02839	4.2
111.04384	2.1
113.02324	25.1
114.02634	0.9
119.03384	6.5
119.04882	2.1
120.99521	0.8
121.02850	7.1
121.06473	4.4
123.00746	1.2
123.04411	29.9
125.02336	2.2
127.03870	2.2
129.01918	0.8
131.03444	0.8
133.02846	1.6
134.03583	2.6
135.04395	7.0
137.02347	5.6
137.05940	0.8
139.03874	1.4
141.01830	3.2
143.03419	2.7
147.04396	2.0
149.02344	5.8
149.04825	1.6
149.05981	19.6
150.06296	1.0
151.03897	2.4
153.05457	1.1
155.03404	78.8
156.03738	2.4
159.04324	1.1
161.02301	3.0
161.04440	4.1
161.05815	1.7
163.03816	1.3
165.01874	1.4
165.05447	2.7
167.03476	0.8
167.07018	3.3
169.04982	4.6
171.10202	4.3
173.04561	5.6
175.03955	1.1
175.07484	0.8
177.01811	1.7
179.03380	2.6
179.05507	3.9
181.04955	2.4
187.07524	2.5
191.05536	32.0
192.05850	1.4
193.04974	26.0
194.05313	1.3
197.04488	6.5
201.05501	1.7
201.09395	1.0
201.11128	1.9
207.10188	1.5
207.37160	0.9
209.11758	9.6
215.07011	1.6
225.07646	3.1
225.11249	4.5
227.05548	2.3
227.12840	1.5
229.08577	1.1
253.09015	1.0
257.06607	2.0
274.08316	1.1
277.07391	1.1
309.09738	1.8
317.08691	3.0
323.96729	0.9
327.15796	0.9
353.08908	1.0
371.09885	1.2
387.12622	1.1
419.26453	2.5
449.14279	1.2
467.15604	1.5
471.15036	7.7
472.15417	0.9
479.15945	1.6
495.13278	0.9
511.14612	18.9
512.15131	1.7
549.16321	5.1
569.20093	1.7
725.23584	1.1
743.23944	100.0
744.24390	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	743.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55816	0.7
55.01741	0.8
57.03313	2.1
58.00468	1.2
59.01248	34.0
60.99170	1.0
61.98720	1.2
63.96417	0.8
67.01755	4.9
68.99688	27.3
69.03324	63.8
69.42500	6.3
70.03645	1.1
71.01253	28.3
72.99177	2.6
73.02819	7.3
74.58010	0.7
79.01757	2.0
81.03337	2.1
83.01237	3.0
83.04900	1.0
85.02819	22.9
87.00751	3.2
89.02315	19.0
93.03330	18.2
94.58349	0.9
95.01257	20.7
95.04893	1.6
96.20261	0.7
96.95885	1.9
97.02827	67.8
98.03168	1.0
101.02317	74.1
102.02633	1.7
105.03342	3.9
106.04137	0.8
107.04914	1.3
108.02033	2.0
109.02818	4.6
110.02891	0.9
111.00753	1.0
111.04443	1.4
113.02331	25.2
115.03848	0.9
119.03384	7.0
119.04890	1.9
120.41882	0.8
121.02832	10.0
121.06470	3.2
123.04404	30.4
125.02320	1.9
127.03894	1.6
133.02910	1.1
134.03593	0.9
135.04410	3.2
137.02328	5.6
137.05975	1.2
141.01852	5.0
143.03378	3.1
147.04395	2.7
149.02353	5.4
149.05984	20.1
151.03915	2.7
155.03397	85.3
156.03764	2.6
161.04514	4.4
161.05792	1.0
163.03914	1.4
165.01805	1.8
165.05458	1.8
167.03377	1.2
167.07028	2.9
169.04951	6.0
171.10110	2.4
173.04417	2.0
175.03896	1.3
179.03354	1.8
179.05498	2.2
181.04987	2.8
191.05511	12.7
193.04976	26.8
194.05331	1.2
195.06496	0.8
197.04495	5.8
209.04489	1.1
209.11760	2.8
225.07613	2.9
225.11308	1.8
227.05515	2.5
239.05855	0.9
249.34657	0.8
257.06711	2.2
277.07144	1.0
309.09787	1.9
317.08801	3.2
387.13098	1.6
396.85776	0.7
419.26498	1.0
467.15201	1.5
471.15054	7.9
472.15170	1.3
479.15558	1.5
511.14548	20.3
512.15033	1.4
549.15796	5.4
550.16217	1.0
605.99152	0.7
645.31433	1.2
725.24182	1.3
743.23975	100.0
744.24261	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	743.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	5.0
59.01250	69.8
67.01765	3.9
68.99688	36.8
69.03327	19.2
71.01249	48.4
72.99173	5.7
85.02821	13.5
86.55746	1.6
87.00760	5.7
89.02317	46.4
93.03307	8.8
95.01273	6.1
95.69379	1.7
96.95889	4.1
97.02818	5.2
99.00800	1.8
101.02320	68.0
102.02659	1.8
106.00672	2.1
113.02322	17.4
116.92749	3.7
119.03381	20.2
119.04920	4.7
121.02849	5.4
123.04408	8.8
126.56729	1.7
127.03876	7.3
133.04938	2.6
135.04430	4.4
137.02351	2.4
139.54732	1.9
143.03398	3.3
145.02846	4.8
145.06456	2.2
147.04427	9.6
149.02333	4.5
149.05978	5.2
153.05463	2.5
155.03314	2.6
163.03912	5.4
165.05437	1.8
173.04526	4.1
173.05919	2.7
175.03922	12.7
175.07561	3.6
176.01053	5.8
179.03409	2.2
179.05513	6.3
181.04974	7.1
191.03441	6.9
191.05515	28.7
192.05942	2.8
199.07559	2.1
203.03392	21.8
203.07115	2.5
208.38663	1.9
219.06606	2.0
225.05469	2.1
225.09134	1.8
227.07089	4.7
235.06087	6.3
255.10252	4.9
255.67134	2.1
269.08157	2.2
287.09274	5.5
301.10663	2.4
318.77805	2.0
339.12234	3.9
383.11591	2.9
399.60715	1.8
467.15598	7.6
479.15710	13.4
511.14700	20.1
519.18616	2.6
563.17200	9.5
743.24048	100.0
744.24255	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	743.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	28.7
71.01250	19.1
85.02795	22.8
87.00747	30.0
89.02330	10.1
93.03343	16.9
95.04948	6.3
96.00941	4.7
96.95893	15.6
101.02328	15.0
113.02354	6.0
118.85689	4.4
121.02822	6.0
127.03900	6.2
150.82182	4.9
155.03409	6.1
161.02328	19.2
173.04465	7.4
191.05540	100.0
192.05797	8.8
193.04958	9.2
194.01855	4.7
205.18028	4.8
229.36687	7.0
303.47870	5.2
307.13986	7.9
329.13953	8.5
365.17996	6.9
370.62668	4.6
476.16797	6.8
491.19223	55.5
503.19257	49.3
521.20184	21.6
547.05585	4.8
682.90674	6.4
743.25812	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	743.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83512	0.6
59.01245	1.0
60.99175	16.9
61.98701	11.6
65.96769	0.6
71.01236	1.2
71.59315	0.7
75.41647	0.6
80.20925	0.6
80.96378	0.8
87.00735	4.1
88.00280	5.9
88.01080	1.0
88.98673	100.0
89.02312	23.9
89.99038	0.7
93.03339	0.8
96.90347	0.6
103.91940	1.0
116.92777	0.8
135.04453	1.0
140.55151	0.6
148.90875	1.6
171.10179	1.2
173.04509	0.8
191.05573	5.3
204.92749	0.6
225.00548	0.5
237.44705	0.6
255.23293	1.0
268.80182	0.5
283.19943	0.6
293.21255	1.1
302.97803	0.6
310.54416	0.6
311.63351	0.6
397.13364	2.3
449.14417	0.7
483.04446	0.9
532.94006	0.7
707.30115	1.1
743.27106	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01123	0.5
59.01249	8.1
67.01757	0.6
68.99695	0.9
69.03333	0.8
69.71677	3.2
71.01255	8.7
72.99196	1.2
73.02814	0.6
75.00738	1.1
85.02819	3.7
85.07310	0.5
87.00761	1.9
89.02322	7.6
93.03340	6.8
94.03669	0.6
95.01261	1.5
96.95895	4.8
101.02322	5.1
108.02013	0.7
109.02876	0.9
111.04378	0.7
113.02342	3.0
115.00266	0.6
119.03376	2.4
121.02840	5.1
122.03632	11.8
123.00788	0.7
123.04379	1.6
124.01619	0.5
131.03369	0.6
131.54916	0.6
133.02832	2.4
134.03682	0.7
135.02902	1.2
135.04454	2.8
136.01561	10.1
137.02341	2.1
145.02831	0.7
149.02348	15.6
149.04349	0.8
150.03133	82.6
151.00266	2.8
151.03923	14.6
152.04204	0.6
155.03427	0.9
161.02345	1.7
161.04514	0.7
162.03145	3.5
163.03935	0.9
164.04723	3.2
165.05487	100.0
166.02638	8.1
166.05855	4.6
167.03276	0.7
173.04492	2.0
175.03871	1.1
177.01842	0.8
177.05496	1.9
179.03410	1.4
179.05527	2.0
180.04221	6.7
181.04987	9.6
190.06294	1.2
191.03677	0.9
191.05534	16.3
192.05846	1.0
195.06558	95.6
196.06981	3.5
201.11411	0.9
205.04909	0.5
209.11789	2.4
215.07320	0.6
221.08105	0.7
242.01976	0.7
270.01718	0.8
288.32700	0.6
295.05786	0.6
299.01978	1.3
300.02554	0.8
305.87296	0.6
342.11078	0.9
357.09604	2.2
357.13358	8.4
358.13840	1.2
369.13565	0.8
372.12079	1.9
373.12552	0.7
387.14487	27.4
388.14932	2.9
505.18433	0.8
515.52527	0.7
535.19800	6.1
536.19781	0.9
553.20831	1.4
583.12592	0.8
583.21881	17.0
583.31079	0.6
584.22211	2.8
604.84869	0.6
652.91907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06806	0.6
59.01247	3.9
67.01786	0.7
67.02626	0.7
68.99685	1.9
69.03323	3.4
70.92695	0.8
70.93024	1.2
71.01248	3.2
85.02843	2.0
87.00771	1.3
89.02328	3.0
93.03323	7.5
95.01279	3.5
95.04897	1.7
96.95898	2.1
97.02824	1.5
101.02326	4.9
105.03311	0.7
107.04873	1.0
108.02042	1.2
109.02837	2.1
111.04426	0.9
113.02332	2.4
119.03393	1.1
120.01141	2.9
121.02047	1.3
121.02846	12.3
122.03626	16.5
123.00765	1.9
123.04393	2.9
124.01547	1.0
127.03880	0.8
133.02838	2.7
134.03558	1.2
135.04399	8.9
136.01556	21.2
137.02351	4.7
139.03893	1.4
145.02792	0.8
147.04390	1.6
149.02341	29.8
149.05972	1.0
150.03122	100.0
151.00240	4.6
151.03914	24.2
151.07469	0.7
152.01016	1.4
152.04475	1.2
153.01816	1.2
153.05418	0.7
154.02663	0.7
155.03407	6.9
159.04378	1.0
160.05209	1.4
161.02380	0.8
161.05980	1.3
162.03122	1.0
163.03902	3.3
164.04686	7.2
164.90182	0.6
165.05476	93.7
165.93523	0.6
166.02629	14.8
166.05774	4.8
167.03363	2.3
167.41388	0.9
172.05252	2.0
173.04466	1.1
174.03162	1.0
175.03937	4.0
175.07547	0.9
177.01900	1.3
177.05469	2.0
179.03374	0.7
179.05571	1.1
180.04178	6.1
181.04977	19.1
182.05319	1.0
187.03986	0.8
187.07472	0.7
189.05519	3.8
190.06267	7.5
191.03830	1.2
191.05492	8.7
193.05009	0.8
195.06551	56.0
196.06895	2.7
203.06955	0.7
205.05002	1.1
205.08578	1.2
221.08134	1.3
227.09229	0.9
229.14429	0.9
266.05783	1.5
274.23044	0.8
279.11594	0.8
282.05167	2.0
297.07629	1.1
300.02756	0.9
308.90900	0.7
314.08105	1.0
315.08679	1.4
327.12027	0.8
329.10312	4.0
340.12830	0.9
341.10120	0.7
342.10977	1.7
355.11816	1.1
356.12521	3.2
357.09613	4.2
357.13428	10.0
369.13467	0.9
372.12000	3.6
373.11710	0.6
386.13788	2.4
387.14465	47.2
388.14886	4.7
490.15662	0.9
505.18326	3.6
513.15979	2.1
517.18695	1.3
520.16602	0.9
535.19690	54.0
536.20062	7.8
553.20544	1.2
565.20422	1.9
583.21790	34.6
584.22156	4.6
689.97650	0.9
745.25256	5.3
746.25531	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.3
69.85415	0.6
70.87183	1.8
71.01262	2.9
85.02822	2.0
87.00757	1.2
89.02321	2.1
93.03328	5.8
93.33353	0.6
95.01274	0.9
96.95889	2.7
101.02331	1.5
108.02031	1.0
109.02832	1.9
111.46196	0.6
113.02319	1.3
119.03375	0.7
119.04875	0.9
120.01134	2.7
121.02833	14.8
122.03621	15.8
123.00755	1.3
123.04410	2.0
124.01559	0.9
128.76787	0.6
133.02832	1.8
134.03596	1.4
135.02852	0.9
135.04413	9.7
136.01546	18.2
136.02545	1.1
137.02338	3.4
138.03162	0.8
138.97818	0.6
139.03874	0.9
146.03612	0.8
147.04448	2.3
149.02341	29.5
149.05980	1.2
150.03122	99.0
151.00272	5.7
151.03915	25.5
152.01099	1.0
153.01920	1.0
154.02631	1.0
159.04390	1.5
160.05223	1.1
161.02420	0.8
161.05980	1.3
162.03162	1.6
163.03900	2.5
164.04720	7.7
165.05473	100.0
166.02618	15.7
166.05753	4.6
167.03363	2.7
172.05157	1.5
173.04387	1.5
175.03893	4.2
175.07509	1.0
176.04601	0.6
177.01868	1.4
177.05487	1.7
179.07066	1.2
180.04207	5.4
181.04970	18.0
187.07536	0.6
189.05502	4.0
190.06259	8.4
191.03621	0.9
191.05496	11.1
191.07074	1.1
192.04218	0.7
193.04845	0.7
195.06549	59.6
196.06882	2.8
205.05023	1.1
205.08614	1.9
221.08099	1.5
239.03587	0.8
266.05991	0.7
279.11945	0.6
282.05341	1.4
297.07648	1.5
309.07510	1.0
314.07996	0.8
315.08685	1.9
325.06906	0.9
329.10336	3.3
336.84244	0.7
341.10364	0.8
342.11017	1.5
354.69183	0.7
355.11652	1.5
356.12521	2.0
357.09631	4.1
357.13364	10.7
364.18411	0.6
369.13458	1.2
372.11914	3.4
373.12823	2.3
373.18024	0.9
385.12854	1.5
386.13632	2.2
387.14465	52.0
388.14804	4.4
490.16135	1.7
505.18622	3.4
517.18927	0.8
520.17120	0.8
535.19696	59.2
536.20001	7.4
553.11969	0.8
553.19977	1.2
565.20459	2.3
583.21790	35.0
584.22247	4.8
625.22559	0.7
745.25421	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	747.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.8
69.03330	2.1
70.99731	1.8
71.00060	2.1
71.01256	2.8
71.30640	1.0
81.77044	1.2
89.02286	2.9
96.95858	1.1
97.02856	3.2
105.60204	1.4
122.78005	1.1
136.01575	1.7
137.02260	3.0
151.03885	2.5
152.04694	64.5
153.05052	2.4
165.64905	1.1
167.07016	8.6
177.01892	3.0
178.02628	1.3
191.05467	2.2
193.04973	9.1
196.03690	18.7
211.06049	100.0
212.06371	3.5
248.19907	1.5
293.12418	1.4
373.11383	32.5
374.11606	1.7
380.20331	1.3
585.84985	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	747.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.6
58.00449	4.8
59.01249	100.0
61.12947	1.1
68.99653	1.7
69.03319	1.2
70.00134	2.8
70.00537	4.1
71.01249	75.3
72.27895	1.0
72.99168	7.7
73.02801	1.4
83.01246	2.2
85.02818	15.5
87.00755	7.7
89.02312	90.1
89.92662	1.1
93.03339	8.3
95.01255	5.1
96.95863	4.5
98.20492	1.3
99.00771	1.6
101.02318	49.1
109.02856	1.4
111.04361	1.4
113.02327	33.3
115.00263	1.5
119.03384	45.6
119.04794	1.7
121.02798	5.1
122.03599	4.6
125.02415	1.3
127.03869	1.5
131.03360	4.6
132.01984	1.9
133.02786	1.5
134.03619	1.5
135.02852	1.5
135.04399	4.5
136.01514	1.2
137.02313	1.6
143.03395	6.6
145.03938	1.0
149.02356	14.1
149.04396	4.0
150.01938	2.3
150.03122	41.9
151.03725	1.9
152.30147	1.1
155.03401	2.7
160.01558	1.7
161.04474	7.1
162.03123	3.0
164.04694	2.1
165.01889	1.1
165.05481	35.8
166.02492	1.3
167.03581	1.3
173.04424	4.0
173.05792	1.1
174.79126	1.1
177.01917	1.3
177.05495	1.2
179.03366	2.6
179.05486	15.6
179.06966	2.0
180.04253	3.0
191.05522	30.5
195.06552	30.4
263.10092	1.1
270.08887	1.7
282.09189	1.4
285.11298	1.6
298.08398	2.5
313.10776	2.7
325.10757	2.1
326.08069	1.5
341.10321	13.1
356.12531	5.6
371.14963	31.2
372.15256	3.5
386.17023	1.1
519.19928	12.9
520.20343	2.0
699.23743	1.3
708.30902	1.3
747.27954	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	747.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92885	1.0
59.01244	2.4
67.01736	0.8
68.01283	4.4
69.00799	1.6
69.03313	1.1
69.61642	6.5
71.01244	2.1
83.04868	0.9
83.66292	0.7
85.02816	2.1
87.00742	1.0
89.02314	1.2
93.03333	7.0
96.95871	1.0
101.02239	1.5
109.02840	5.0
115.05074	0.8
121.02818	11.1
122.03632	14.8
123.04418	1.6
127.03832	0.9
132.02042	2.4
133.02853	4.1
134.03609	2.4
135.04390	6.5
136.01549	2.4
137.02284	2.0
145.02919	1.7
145.03958	6.7
146.03569	1.6
147.04404	3.0
147.85611	0.9
149.02342	34.4
149.05928	4.4
150.03120	100.0
151.03558	3.9
159.04427	1.1
161.02301	1.7
161.05975	1.1
162.02983	1.0
163.03886	6.6
164.04688	10.2
165.05469	98.7
166.05794	3.9
167.37083	0.8
173.04457	2.0
174.03056	2.0
175.03926	9.6
176.04645	2.4
177.05440	3.1
179.03412	1.8
179.07019	2.3
180.04173	13.6
181.04872	1.2
188.04723	2.1
189.05505	5.1
190.06264	11.4
191.05493	15.4
191.07048	8.0
193.04961	7.9
194.05759	8.3
195.06541	53.5
196.06941	2.3
203.07150	1.2
205.08600	12.8
207.06569	5.0
208.07339	8.9
222.08934	0.8
223.09706	1.1
254.86151	0.9
297.11169	0.9
317.89743	1.0
344.12500	1.8
345.13232	5.1
356.12286	0.9
357.13223	2.8
358.14041	2.4
359.14957	55.1
360.15393	4.4
373.16470	1.0
374.13898	1.4
375.14380	1.6
388.15363	1.3
389.15918	5.9
461.39569	1.1
484.42139	0.9
507.20676	4.4
522.18463	1.9
537.21234	64.7
538.21594	6.7
567.22162	1.1
585.23328	59.9
586.23730	7.7
665.84161	0.9
679.49829	1.1
691.47394	1.9
747.23340	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	747.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42198	0.5
55.01743	0.9
55.67014	0.5
57.03306	0.7
58.00441	1.1
59.01244	13.8
67.01741	0.6
69.03345	0.8
69.57171	1.2
69.57591	2.6
71.01247	12.5
71.07188	0.5
72.99163	1.6
73.02807	3.1
75.00748	0.6
79.39456	0.5
81.03338	0.6
83.01235	2.8
85.02815	6.0
85.99992	0.7
87.00745	2.2
89.02312	6.9
93.03320	6.0
95.01244	1.5
96.95893	0.6
99.00750	1.4
101.02311	10.4
108.02035	0.9
109.02816	0.9
111.00776	0.6
113.02306	5.0
113.45931	0.6
115.00351	0.6
119.03372	2.5
120.42630	0.5
121.02842	7.4
122.03617	15.6
123.00764	0.8
123.04426	1.5
125.02309	0.5
128.03256	0.5
131.03407	0.6
132.02086	0.8
133.02827	1.8
134.03613	2.2
135.04408	2.3
136.01529	1.9
137.02336	1.3
140.72427	0.6
143.03391	0.7
145.02814	0.6
145.03836	1.0
147.04352	0.6
149.02333	29.7
149.05989	2.1
150.03119	100.0
151.03433	3.9
158.84851	0.5
159.02919	0.5
160.59627	0.5
161.02281	0.9
161.04495	0.9
162.03081	0.5
164.04691	4.9
165.05469	82.7
166.05838	3.3
173.04408	1.0
175.03914	1.7
177.05455	1.4
179.03717	0.6
179.05530	2.0
179.06932	0.8
180.04187	6.8
181.04852	0.8
187.03976	0.6
189.05531	0.7
190.06223	0.8
191.05530	8.0
191.07034	1.3
192.29106	0.6
194.05914	0.8
195.06540	40.7
196.06880	2.2
205.08670	0.9
207.06476	0.6
209.07980	0.6
237.02721	0.5
271.09927	0.6
296.06857	0.7
297.07843	0.9
299.09122	1.2
311.09314	2.2
312.10077	0.8
313.10858	1.7
315.08505	0.6
325.10849	1.0
326.11581	1.0
327.12320	0.9
341.10312	1.6
341.13934	0.6
343.08102	0.7
343.11768	1.4
344.12628	1.4
345.13391	2.0
356.12628	1.6
357.13358	2.1
359.14890	8.9
371.14911	4.0
379.67435	0.5
385.14383	0.7
446.09668	0.6
461.15991	0.6
491.15314	1.3
492.17911	0.8
493.18796	0.7
503.15616	3.5
504.17477	0.7
506.17917	4.0
507.19904	2.0
518.17957	1.8
519.19739	3.2
520.20361	0.6
521.20239	19.4
522.20648	2.0
533.20251	20.1
534.20294	1.9
537.21381	3.2
551.21283	2.1
573.82922	0.6
585.23328	5.1
669.25330	2.4
670.26227	0.6
681.25543	21.9
682.25848	3.9
699.26501	35.5
700.26758	5.5
703.46326	0.6
729.27124	1.4
747.28802	21.1
748.29211	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	749.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21949	1.6
59.01248	21.1
61.98702	24.7
69.03326	1.5
71.01254	22.5
71.59525	1.9
71.92441	1.5
72.99190	2.8
73.02814	3.3
75.00727	6.0
76.04542	1.5
81.03333	2.4
83.01262	2.3
85.02824	6.4
87.00752	5.0
89.02314	16.3
93.03320	4.7
95.01278	2.9
96.95892	21.4
97.02870	2.9
99.00744	2.0
101.02319	13.3
111.04314	2.2
113.02320	6.9
119.03415	5.4
125.02334	5.9
135.04309	1.9
143.03349	1.9
155.03418	1.9
161.02315	1.8
161.04475	2.8
163.11169	1.8
165.12762	17.0
167.95168	1.4
171.10101	3.3
173.04402	4.1
179.05515	3.5
191.05524	26.2
192.05933	2.5
197.11707	4.0
207.10150	3.7
207.16206	1.5
209.11774	13.7
211.13364	2.3
221.06480	1.9
224.84163	1.5
225.11206	5.2
235.08160	4.9
247.20636	9.6
253.09323	2.6
273.18591	5.4
291.19644	100.0
292.19986	7.6
372.99393	1.7
397.13504	51.5
398.13910	4.5
415.14581	27.0
653.31342	2.2
689.33246	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	751.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
60.26846	0.1
61.82943	0.1
71.01254	0.4
78.95767	1.5
79.95603	3.2
83.87751	0.1
90.97018	0.1
94.92370	0.2
94.97969	0.1
96.92100	0.6
96.95885	100.0
97.95822	0.2
118.96495	0.2
134.74529	0.1
140.90578	0.1
172.97623	0.1
191.05553	0.3
195.74866	0.1
207.10397	0.1
229.56322	0.2
255.23340	0.6
361.04294	0.3
385.18982	0.4
397.13571	0.5
415.14291	0.1
435.08185	0.8
453.09116	1.1
495.09937	0.1
571.28210	0.2
691.32202	1.5
725.67322	0.1
738.59351	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	751.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24129	0.2
59.01250	1.5
61.98687	0.3
71.01242	1.2
71.58687	0.4
72.00823	0.2
72.99177	2.8
75.00742	100.0
76.01086	0.9
87.00745	0.3
89.02314	1.4
96.95908	0.6
101.02315	1.2
101.47806	0.2
109.06478	0.3
113.02324	0.6
118.55891	0.2
119.03395	0.3
125.02312	0.6
161.04460	0.4
207.10229	0.7
209.11774	0.6
221.41309	0.2
225.11295	0.6
235.08066	0.4
277.21725	3.4
289.18134	0.3
307.19147	0.4
327.21735	0.3
397.13474	5.8
398.13678	0.3
415.14627	1.9
675.36316	0.3
683.24561	0.3
751.39868	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	751.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
57.03298	4.4
59.01245	22.4
61.98699	13.6
69.03317	1.4
69.35281	9.0
71.00883	1.8
71.01246	20.1
72.42949	0.9
72.99184	1.2
73.02809	2.3
79.95594	1.3
80.96386	3.3
81.03356	1.0
83.01240	1.3
83.04850	1.0
85.02816	4.3
87.00743	4.8
89.02302	14.8
93.03323	2.8
94.97906	1.0
95.01259	1.7
96.95878	9.2
97.02810	2.8
98.19819	2.0
101.02316	14.6
111.04411	1.3
113.02309	5.6
113.09596	13.3
119.03387	5.6
125.02325	4.4
135.04379	1.1
139.11151	1.5
143.03394	2.2
150.86934	1.0
161.04460	2.3
163.11140	1.0
167.10590	1.8
171.10117	2.1
173.04503	1.4
173.79723	1.2
179.05505	4.3
179.10571	1.4
191.03799	1.2
191.05481	6.8
195.13742	1.9
202.06155	1.0
207.10210	1.5
209.11777	3.9
210.39420	1.1
221.06599	1.4
225.00806	1.1
225.11214	1.6
235.08122	5.0
253.09207	1.6
275.20078	1.9
287.07608	1.3
289.17902	1.3
293.21191	100.0
294.21524	6.9
305.08783	2.0
312.16260	0.9
397.13422	56.2
398.13754	3.2
415.14496	24.1
416.14819	1.9
442.37018	1.0
691.35663	5.1
692.35248	1.4
751.32092	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	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.0
57.03308	1.2
59.00995	0.6
59.01248	8.8
61.98701	12.1
63.92698	0.7
65.62753	0.6
69.03305	1.8
71.01247	9.7
72.99142	2.1
73.02808	1.7
80.02523	1.9
80.96361	3.1
81.03318	2.8
81.53438	0.7
83.01260	1.1
83.04893	7.9
84.02019	1.0
85.02821	4.3
85.09884	0.7
87.00748	4.4
89.02325	4.5
89.61938	0.6
93.03334	5.6
94.97952	0.7
95.01250	0.7
95.04874	1.4
96.95875	6.1
97.02815	1.2
97.06451	1.2
98.20560	1.7
98.95445	0.8
101.02314	8.1
109.02807	1.0
111.00776	0.7
111.04380	1.0
113.02300	4.0
119.03341	1.5
125.09615	1.0
127.03902	1.1
135.04448	1.5
135.08006	1.4
137.02313	0.8
145.04851	1.0
151.11195	2.2
153.12715	1.6
155.03404	1.7
161.04460	2.4
161.05730	0.7
163.11206	5.4
165.12735	3.8
169.12242	43.3
170.12579	1.3
171.10138	1.2
173.04510	4.4
173.05759	0.9
179.03264	0.9
179.05481	0.7
179.10606	1.1
181.12213	1.4
191.05531	32.8
191.10619	1.9
192.05949	1.3
197.11748	81.3
198.12074	4.1
209.11752	100.0
210.12120	6.8
215.07056	0.9
225.00636	1.1
227.12820	7.2
253.09230	7.7
545.20245	0.7
660.50037	1.0
686.99097	0.7
687.32202	31.8
688.32220	4.6
719.34894	50.0
720.35205	8.8
751.37848	51.8
752.37866	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	751.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62352	1.0
58.72061	1.1
63.96115	1.1
71.01250	10.3
71.34897	2.3
73.02805	1.2
78.95776	2.2
78.98452	8.7
79.95599	13.1
80.96387	91.8
85.02818	3.2
87.00749	3.4
94.97951	20.4
96.95860	1.7
97.02832	2.3
101.02311	4.0
106.97963	5.0
109.49641	1.0
122.97456	4.5
125.02322	3.9
134.97464	7.1
136.98997	2.4
148.99016	8.4
152.98515	7.7
164.98550	18.9
167.37070	1.0
169.12181	2.8
175.15866	1.0
197.11664	1.5
206.99603	3.5
225.00693	29.4
255.23225	3.8
401.34561	1.1
416.62463	1.1
477.49692	1.2
495.15329	2.8
537.26929	1.6
571.69873	1.2
751.39368	100.0
752.39709	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	753.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67622	0.5
59.01246	1.3
60.99174	1.5
63.66516	0.5
67.01756	3.5
69.03330	1.0
69.50450	1.1
69.50859	3.3
70.29288	0.5
71.01234	2.5
81.03307	0.6
83.04903	0.9
85.02824	4.8
87.00756	6.0
93.03333	24.8
94.78272	0.5
98.20561	0.7
99.00751	1.2
101.02317	1.0
111.04408	3.3
114.30876	0.5
120.93312	0.5
124.45876	0.6
126.55932	0.5
127.03915	1.1
129.01904	0.6
134.03618	7.5
135.04401	0.7
155.03378	1.4
173.03056	0.9
173.04465	11.3
173.05965	0.6
175.03903	1.2
175.13452	0.5
191.05530	100.0
192.05858	3.4
193.04961	4.2
220.02589	0.5
246.82298	0.5
285.36993	0.5
292.11768	0.9
329.95447	0.5
336.10709	1.0
367.10297	45.2
368.10663	5.4
460.80438	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	753.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47547	1.3
55.01743	1.3
56.19207	1.5
57.03324	2.2
57.42247	1.2
59.01243	17.9
60.83643	1.2
61.98698	2.5
69.03325	2.6
71.01256	11.4
71.59042	1.6
72.99208	2.0
73.02856	1.8
80.02574	1.9
81.03339	3.6
83.01256	2.6
83.04887	7.5
85.02835	3.5
87.00767	2.9
89.02303	5.9
93.03362	1.5
95.04910	2.3
96.95898	2.2
97.02819	9.9
97.06474	3.6
99.00749	2.4
101.02327	9.6
109.06474	33.0
111.00811	1.2
111.08047	5.0
113.02330	4.7
119.03394	1.5
119.08610	1.3
121.06481	2.8
123.04420	2.3
125.09612	5.0
130.41771	1.3
135.08035	5.1
136.05235	2.2
137.09590	1.7
142.02591	2.0
145.04955	2.0
151.11238	1.4
161.04515	3.1
161.09592	1.6
161.74255	1.3
163.11188	21.1
165.12794	3.0
169.12233	2.5
171.10141	5.1
179.05556	1.4
181.12256	5.1
185.11801	3.6
189.09073	2.7
191.05550	3.4
191.14331	3.8
197.11777	27.9
198.12090	1.6
199.13329	2.5
207.10196	100.0
208.10562	4.7
209.11763	82.6
210.12073	4.3
211.13370	5.6
225.11253	37.5
226.11502	1.6
227.12860	11.3
235.08168	5.9
240.86171	1.4
245.19006	5.7
247.20537	2.1
253.09232	24.9
263.20081	3.4
271.17383	1.9
289.18115	27.6
290.18484	1.7
291.19669	24.1
293.21133	1.4
307.19122	22.3
308.19482	1.6
309.20700	57.2
310.21048	6.6
331.19794	1.5
332.19504	1.4
443.19202	2.7
460.85767	1.4
461.20483	10.3
462.84579	1.3
499.30908	1.6
735.39691	3.6
753.40607	34.3
754.41229	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	753.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.6
61.98692	2.1
67.01756	1.0
69.03342	0.9
71.01260	2.2
72.28372	0.6
72.99176	4.8
75.00745	100.0
78.41790	0.6
80.05331	0.5
81.03334	3.6
81.41181	0.6
82.02845	0.6
83.04897	8.9
84.12923	0.7
85.02824	2.3
85.94289	0.6
85.96181	0.6
87.00751	1.8
89.02338	1.3
89.50301	0.7
93.03318	4.0
96.95890	1.7
98.02373	1.5
98.19736	1.5
101.02329	1.1
103.04436	0.7
111.04417	1.1
125.07094	0.6
127.03881	1.3
135.04422	1.5
137.02339	0.9
143.04538	0.6
147.51030	0.6
155.03381	1.8
161.02148	0.6
161.04608	0.7
163.03851	0.7
173.04500	3.6
179.03391	1.0
191.05536	19.6
192.05905	0.9
207.14886	0.8
224.17700	1.9
225.16049	5.0
266.96039	0.6
307.08301	0.6
347.40912	0.8
385.23682	0.7
416.83154	0.7
450.34451	1.2
451.33011	1.9
675.48206	5.6
676.48389	0.8
677.49591	5.6
678.50189	1.5
692.47693	1.2
693.49146	41.5
694.49438	5.8
753.26648	0.8
753.49701	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	755.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
57.22763	0.5
58.00459	1.1
59.01248	17.8
61.98680	1.2
67.01759	2.0
68.99685	34.2
69.03326	11.2
70.00004	0.5
71.01248	15.5
72.99175	2.6
73.02799	1.0
75.00728	0.7
79.95575	1.0
80.96388	2.5
81.03325	0.7
83.01259	0.9
83.04906	1.0
85.02826	6.5
87.00756	2.9
89.02313	16.2
91.61652	0.5
93.03334	4.5
95.01260	23.1
96.95880	2.7
97.02810	0.8
99.00760	0.8
99.04421	0.5
100.86121	0.5
101.02318	78.2
102.02631	1.2
109.02819	1.1
111.00777	0.8
111.04362	1.2
113.02314	6.5
114.44997	0.5
119.03369	5.4
121.02826	1.6
123.04416	3.6
127.03870	1.4
131.03348	0.6
135.04375	1.7
136.05183	0.6
137.02351	0.9
137.64207	0.5
138.06767	0.8
143.03386	1.3
145.02934	0.8
145.03969	5.3
149.02339	1.6
149.04439	0.9
151.03856	0.6
151.07561	1.1
152.08281	0.9
153.09091	3.8
155.03398	100.0
156.03726	2.6
161.04439	1.2
161.09453	0.6
169.04941	0.9
173.04486	3.8
175.03816	0.7
179.03304	1.1
179.05513	3.1
191.05537	19.2
192.05832	1.3
205.12254	2.4
223.13417	1.5
225.00694	1.0
395.11160	1.2
466.09073	0.8
471.15067	0.9
491.22885	1.8
497.40613	0.5
523.21832	24.6
524.22180	2.6
561.23096	0.6
563.21106	0.6
575.25787	0.7
593.25977	14.2
594.26288	1.2
755.21326	0.6
755.31445	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	755.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
57.11992	0.5
58.00454	0.5
59.01249	16.8
61.98692	0.7
62.63951	0.4
69.03326	1.3
70.56178	0.5
71.01245	4.5
71.21950	0.8
73.02836	0.9
75.91851	0.4
80.02541	0.9
80.96405	0.6
81.03354	1.1
83.01266	0.6
83.04889	4.5
84.02016	0.9
85.02816	1.7
87.00730	1.1
89.02303	3.2
93.03316	1.4
95.01255	0.5
95.04915	1.3
96.95887	7.6
97.02830	2.5
97.06495	0.6
101.02319	3.4
102.89416	0.4
109.06441	1.1
111.08045	3.1
113.02312	2.0
119.03436	0.7
125.05958	0.5
125.09604	1.1
131.03264	0.5
137.09608	1.9
152.91646	0.8
153.12668	0.5
161.04439	1.4
163.11176	4.3
165.12737	3.2
169.12305	2.2
171.10161	4.0
173.04462	0.8
179.05563	0.5
181.12206	1.4
183.13762	0.7
185.11882	0.5
191.05519	3.2
191.10713	1.1
195.13834	0.5
197.11755	17.3
198.12065	0.5
199.13225	1.5
207.10233	1.5
209.11758	100.0
210.12093	5.1
211.13309	3.7
223.13319	0.6
225.11258	1.6
225.14801	0.8
227.12819	12.3
228.13326	0.5
235.08174	2.6
247.20688	1.2
251.16541	0.6
253.06659	0.9
253.09247	14.5
253.11877	0.9
254.09554	0.4
263.20123	1.2
265.17969	0.9
273.18646	1.1
275.19986	0.5
291.19638	17.4
292.19998	1.8
293.21225	2.0
307.01794	2.4
307.04947	0.5
309.20706	39.9
310.21106	3.6
311.22263	0.7
345.55978	0.5
423.16159	0.7
427.11292	0.9
438.10733	0.5
445.12173	0.9
445.20981	0.9
472.67917	0.5
501.32819	0.7
545.29810	1.1
698.49023	0.5
737.39984	0.5
755.42920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
57.03319	1.2
58.00464	1.2
58.11964	0.3
59.01248	24.1
61.98719	0.4
67.01772	1.8
67.50037	0.3
68.99685	46.9
69.03326	15.0
70.00066	0.3
70.92837	0.8
71.01250	22.8
71.20540	0.3
72.01588	0.4
72.99165	2.2
72.99500	0.2
73.02818	4.5
77.21499	0.3
79.01760	1.1
81.03342	1.0
83.01250	1.6
83.04901	0.5
85.02822	8.7
87.00747	2.0
87.07451	0.3
87.67374	0.3
89.02314	20.8
93.03334	4.0
95.01260	26.7
95.04906	1.1
96.01587	0.7
96.95889	2.0
97.02832	3.3
99.00748	0.5
101.02318	100.0
102.02663	1.8
107.04904	0.4
108.02055	1.1
109.02837	1.7
111.00771	0.3
111.04391	1.6
113.02328	16.8
115.03873	0.5
119.02553	0.6
119.03387	8.6
119.04897	0.5
121.02843	5.1
122.03107	0.4
123.00845	1.6
123.04407	41.1
124.04765	1.3
125.02329	1.4
127.03889	1.2
129.06659	0.3
131.03416	1.4
133.02847	0.3
135.04401	0.5
137.02338	1.6
137.05956	0.4
139.03894	0.4
139.51259	0.3
143.03407	5.2
145.24959	0.3
147.04396	0.7
148.11758	0.3
148.49924	0.3
149.02350	4.9
149.04399	0.6
149.05888	0.6
151.03882	1.1
153.25575	0.3
155.03397	86.8
156.03726	3.3
161.02403	0.4
161.04459	9.4
161.05817	0.6
163.03870	0.4
165.01799	0.9
165.05493	1.2
167.03409	0.5
169.04956	4.7
171.10234	0.4
173.04451	0.7
175.03918	2.1
177.05580	0.4
179.05540	4.6
181.04973	5.1
189.05496	0.4
191.05531	5.0
191.07115	0.4
193.04994	1.2
193.08658	0.4
195.06517	0.6
197.04489	5.4
207.06532	1.3
207.10286	0.4
209.04436	0.4
209.11771	1.1
221.08102	0.4
225.07629	11.7
226.07993	0.8
227.05530	2.2
239.05438	0.5
257.06729	1.4
285.05829	0.4
288.09888	0.5
299.07483	0.4
309.09814	4.3
310.09946	0.5
317.08713	7.3
318.09341	0.8
327.10919	0.4
387.12994	2.2
406.41739	0.4
471.15045	16.6
472.15329	1.9
489.16113	1.0
525.16077	6.3
526.16412	0.6
563.17499	0.8
595.20178	2.7
596.20331	0.5
625.16589	0.3
671.32672	0.4
725.23102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72219	0.4
55.01749	0.4
57.03325	0.9
58.00464	1.3
59.01247	30.1
67.01759	2.2
68.99683	49.3
69.03323	14.8
69.85359	0.3
70.00011	0.7
70.85513	1.0
71.01250	22.4
72.01596	0.3
72.99181	1.4
73.02814	5.0
75.00745	0.5
79.01775	0.6
81.03345	0.9
83.01250	1.6
85.02818	8.4
87.00741	1.5
89.01735	0.6
89.02312	21.5
93.03336	4.1
95.01258	28.1
95.04901	0.8
96.01638	0.5
97.02806	2.9
99.00779	0.4
101.02316	100.0
102.02656	1.5
107.04906	0.3
108.02058	1.3
109.02837	1.8
113.02323	16.1
115.03893	0.4
119.03380	8.1
119.04850	0.5
121.02848	4.9
123.00796	1.0
123.04408	42.6
124.04720	1.0
125.02350	1.4
127.03911	0.9
127.49831	0.4
131.03391	1.2
133.02760	0.4
135.04469	0.4
137.02344	1.4
137.05965	0.5
143.03409	5.1
147.04401	0.9
149.02351	4.4
149.04347	0.6
151.03943	1.2
155.03403	86.0
156.03735	2.1
161.02379	0.4
161.04463	9.1
162.04767	0.4
165.01842	0.6
165.05536	0.8
167.03391	0.6
169.04987	4.9
170.05356	0.4
170.59557	0.3
175.03877	1.7
179.05522	5.2
181.04990	5.2
183.97922	0.3
191.05508	0.7
193.05005	1.0
197.04501	4.0
207.06584	1.2
209.04407	0.3
217.23390	0.3
221.08354	0.3
225.07625	11.7
226.07991	0.7
227.05582	2.4
257.06641	1.8
267.08557	0.4
285.05722	0.3
309.09729	4.7
317.08713	6.7
358.62189	0.4
387.12997	1.9
471.15054	17.5
472.15219	2.0
489.15854	0.8
525.16022	4.4
526.16272	0.4
563.17291	0.8
592.09814	0.4
595.20038	2.7
645.79028	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	757.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	0.8
98.19824	1.4
107.54101	0.6
119.04910	77.8
120.05297	2.7
135.04410	7.8
136.04753	1.0
147.96013	0.6
149.02339	1.2
151.98972	0.5
163.03909	100.0
164.04253	4.0
166.67099	0.5
179.06985	0.6
191.05496	1.9
193.01263	0.6
208.03677	1.9
223.06067	6.8
320.08145	0.6
325.09250	13.5
326.09290	1.1
341.08969	1.3
379.06274	1.1
385.11569	0.9
431.15421	1.1
509.11926	0.6
752.57166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.7
58.00462	4.9
59.01248	100.0
67.01770	1.6
68.13573	0.7
68.99686	23.3
69.03327	7.3
69.27713	5.0
69.28141	2.7
71.01250	73.3
72.01584	0.7
72.99174	6.1
73.02831	2.5
75.00734	1.0
83.01287	1.5
85.02815	11.8
87.00735	4.2
89.02311	80.3
90.02612	0.7
93.03328	3.7
95.01262	4.5
96.95868	1.5
97.02817	1.1
99.00790	1.6
101.02317	63.0
102.02686	1.8
113.02321	26.2
119.03385	26.9
119.04788	1.1
121.02861	3.2
123.04419	1.2
127.03928	1.0
129.01900	1.0
131.03415	3.9
133.02820	0.7
135.04427	0.9
143.03404	7.1
145.02895	1.3
147.04483	1.3
149.02383	3.6
149.04485	3.0
149.06026	0.7
153.01863	1.0
155.03412	2.3
161.02347	0.9
161.04524	6.6
161.05896	1.3
163.03952	0.9
171.04459	0.9
173.02385	1.4
173.04494	2.1
173.05934	1.2
175.03903	1.0
179.03795	0.8
179.05515	17.1
181.04976	7.8
188.04538	0.8
189.05547	1.3
191.05530	10.6
191.07109	1.0
199.09645	3.5
200.76952	0.8
201.01949	1.1
201.05492	1.1
205.04979	1.9
207.10210	0.9
217.05064	1.0
228.00850	0.8
233.04453	5.1
233.08163	1.1
251.09151	1.1
261.04062	2.6
277.00009	0.7
301.91034	0.8
313.10794	1.6
355.84784	0.7
397.12720	0.8
467.15341	0.8
493.17184	19.1
494.17868	2.1
525.16113	42.5
526.16315	4.0
595.20117	5.4
719.90131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	8.8
61.98690	4.0
65.02655	1.2
69.17876	1.2
71.01247	100.0
72.01565	1.8
73.02841	1.5
78.95776	4.7
81.13949	1.3
83.01292	1.5
84.64277	1.5
85.02823	1.8
88.64086	1.2
89.02277	1.2
98.19646	2.2
101.02321	4.6
109.06490	2.7
113.02355	2.9
117.70850	1.4
125.09597	1.6
125.85188	1.3
127.11187	1.2
133.81436	1.3
139.20718	1.4
152.99469	2.7
153.09024	1.5
161.04424	2.7
163.11148	2.2
171.10168	68.5
172.10509	1.9
174.91489	1.2
181.12268	2.7
191.05536	2.3
197.11688	1.9
199.09637	8.0
201.11249	11.3
207.10176	11.2
225.11235	9.5
229.51353	2.3
235.08191	2.6
246.51663	1.5
248.97491	1.3
253.09297	8.6
277.21686	78.3
278.22025	5.1
401.16537	1.4
729.00586	1.4
757.43646	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	759.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38620	0.6
59.01237	2.5
68.99698	0.9
69.03329	1.4
69.41743	5.5
71.01254	3.1
73.75331	0.6
75.80618	0.6
85.02818	1.0
87.00730	0.9
89.02325	1.8
93.03325	2.1
97.02808	1.8
98.19799	1.3
101.02311	2.9
103.89023	0.6
109.02817	0.9
115.00214	0.9
117.71732	0.6
121.02850	0.8
124.01524	0.6
132.84184	0.6
133.01303	2.4
133.02791	0.9
135.04382	3.1
137.02309	2.1
138.03040	0.7
149.05992	0.7
150.03102	3.1
151.03925	3.9
152.04692	66.9
153.05026	2.0
155.03358	1.0
160.01523	0.7
165.05450	2.2
167.07045	24.5
168.07434	1.2
173.04433	1.3
177.01799	2.1
178.02567	2.8
179.03510	0.8
179.05156	0.6
191.05516	8.2
193.04977	25.5
194.05298	1.6
194.12019	0.6
196.03574	1.3
202.76065	0.7
211.06047	100.0
212.06438	4.4
229.04305	2.0
277.89441	0.6
351.07373	0.7
353.08667	0.7
373.11346	64.8
374.11688	4.3
500.59125	0.6
642.37878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20863	5.5
54.46156	5.0
59.01250	7.4
61.98704	16.3
71.01253	33.4
71.59113	9.4
78.95786	15.2
96.95901	7.4
108.47594	5.2
170.23471	7.1
171.10165	25.8
199.09666	8.3
209.11729	100.0
214.42883	6.4
227.12880	16.5
253.09254	12.1
277.21722	42.7
279.23340	28.1
759.42285	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	759.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80369	4.7
69.03279	5.9
71.01241	8.7
71.02535	6.5
71.02869	13.0
74.29166	5.4
76.46854	5.1
78.95750	21.2
79.98595	5.1
80.96422	9.7
171.10219	6.9
185.74025	5.3
192.29584	7.4
209.11737	58.8
227.12715	13.6
235.08157	7.4
253.09178	9.3
274.93906	5.5
277.21686	100.0
278.21854	6.5
333.31073	5.2
365.90411	5.2
424.81305	6.1
601.27600	6.1
654.14636	6.5
759.41632	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	761.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
58.00453	1.2
59.01252	35.4
60.99170	1.6
61.13091	0.8
62.76048	0.8
66.45754	0.8
67.01765	1.4
69.03323	30.2
69.40837	7.7
71.01250	25.7
72.99169	1.9
73.02824	2.0
81.93893	0.8
85.01198	0.8
85.02802	5.0
87.00721	0.9
89.02315	20.4
93.03339	7.8
95.01256	2.4
97.02823	41.2
99.72361	0.9
101.02307	12.5
105.03346	2.2
113.02335	8.2
119.03372	8.1
119.04845	1.5
121.02815	1.9
121.06494	1.9
123.04398	8.4
141.01857	1.1
143.03403	1.9
147.04439	1.1
149.05969	13.0
161.04510	0.9
167.07043	5.6
171.75975	0.9
174.89511	0.8
179.05484	3.8
191.05589	1.7
192.92017	0.9
193.04982	31.6
193.06773	1.5
194.05321	0.9
216.91872	1.0
327.10886	1.1
361.81744	0.9
373.11362	100.0
374.11612	6.4
387.16617	2.1
674.10028	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	763.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	60.0
60.25444	3.0
69.03329	27.5
71.01250	47.1
72.99160	5.2
76.20310	3.3
85.02822	10.0
87.00748	5.0
88.74179	3.3
89.02314	37.5
89.02836	4.4
91.05425	3.5
93.03317	12.8
95.01242	3.2
97.02827	44.1
101.02306	21.1
107.04902	4.6
113.02316	12.2
119.03394	11.8
119.04906	12.3
120.48416	2.7
121.02849	46.7
121.06427	4.3
123.04382	10.5
129.03333	4.7
135.04391	8.4
137.05965	8.7
147.04408	52.7
149.05971	10.2
165.05464	58.0
167.07039	6.2
179.05569	4.3
188.23424	2.9
191.03377	31.4
191.05276	6.3
193.04974	30.0
199.68690	3.3
209.04509	24.1
227.05470	4.4
299.50540	3.2
311.48697	3.4
371.09799	100.0
372.09995	8.5
373.11359	99.4
374.11523	8.5
389.10788	34.4
425.33768	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	763.394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.4
59.83569	0.7
61.98697	1.2
63.96101	2.4
69.03306	0.9
70.33136	2.8
71.01250	9.3
73.02824	2.0
78.98464	9.2
79.95606	15.8
80.96388	100.0
81.03327	1.1
85.02796	4.0
87.00742	3.6
94.97961	20.7
96.95875	1.9
97.02838	1.8
101.02300	3.7
106.97959	4.6
109.06390	0.9
116.05787	0.7
122.97487	4.1
125.02312	3.7
127.03912	1.4
134.97456	6.2
136.99033	2.6
148.99042	7.3
152.98535	6.8
156.16336	0.7
164.98543	15.6
206.99648	3.5
207.10197	0.7
225.00697	24.2
226.00957	1.4
254.69138	0.7
255.23265	2.5
296.86948	0.6
310.75528	0.7
337.68735	0.6
507.15356	3.3
537.27368	0.7
763.39380	85.7
764.39648	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	765.354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03251	0.2
59.01239	1.0
60.99173	16.1
61.98666	0.3
66.07375	0.3
71.01245	1.1
78.95774	0.3
86.42868	0.3
87.00748	5.2
88.00272	7.1
88.01089	0.5
88.98673	100.0
89.02310	30.2
89.99027	0.9
90.02637	0.4
93.03320	0.6
98.44869	0.2
101.02303	0.6
103.91910	0.6
104.92671	0.3
122.89290	0.3
148.90826	1.3
152.99493	1.0
172.95242	0.4
184.95302	0.3
191.05505	0.4
198.29225	0.3
235.08121	0.3
277.21783	1.4
334.56064	0.3
397.13477	2.4
398.13556	0.3
415.14554	0.6
427.17773	0.4
483.04468	0.5
487.03235	0.4
505.04123	0.3
584.27667	0.3
665.20496	0.3
729.28009	0.8
765.25580	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	765.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.2
63.96099	1.1
71.01254	9.8
71.07140	0.8
71.07458	0.9
73.02803	2.4
78.98457	8.0
79.95605	17.3
80.96386	93.6
87.00756	3.7
89.90646	0.7
94.97956	22.4
96.95895	1.5
97.02817	1.5
101.02332	3.2
106.97977	4.3
122.97466	4.3
125.02312	4.3
125.32305	0.7
127.03902	1.0
132.29112	0.7
134.97472	7.1
136.99049	2.2
148.99039	8.6
152.98541	8.8
154.79861	0.7
164.98547	14.2
175.77278	0.6
206.99681	4.0
209.11757	2.6
220.88603	0.6
225.00679	25.9
226.00949	1.1
232.41753	0.6
255.23254	2.3
509.16983	3.4
537.27692	1.5
765.40918	100.0
766.41278	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	767.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.3
60.99177	17.1
61.98695	0.9
65.65016	0.9
67.45565	0.9
70.88343	1.8
70.88734	1.7
71.01247	1.7
75.00746	0.8
78.95767	0.9
87.00751	3.2
88.00277	5.3
88.98675	100.0
89.02312	16.1
89.76575	0.8
89.77139	0.7
105.65300	0.8
124.02071	0.8
143.71313	0.8
148.90948	0.9
171.10202	2.9
191.05661	1.2
207.10181	1.2
209.11702	1.4
232.68704	1.0
253.09200	0.9
279.03534	0.8
344.81378	0.9
397.13519	1.0
422.28735	0.9
484.40414	0.9
553.42450	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	768.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.7
61.08777	0.2
61.98701	100.0
62.98394	0.2
71.01259	1.0
76.52024	0.2
79.95619	0.6
80.96393	2.4
82.95974	0.2
85.02820	0.5
87.00770	0.4
89.02328	0.3
93.03365	0.9
94.97972	0.7
96.95886	2.5
99.48694	0.2
101.02316	0.4
111.04422	0.2
134.97441	0.2
135.04404	0.2
164.98543	0.3
171.10252	0.2
173.04497	0.5
187.07538	0.2
191.05521	3.8
192.05849	0.3
209.11812	0.6
225.00748	0.7
250.97194	0.2
253.08910	0.2
302.37192	0.2
309.20865	0.3
397.13800	0.3
437.76630	0.2
450.14743	0.3
467.14700	0.2
492.18750	0.2
751.31555	0.3
768.31573	2.1
769.31543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.0
59.01242	3.5
59.19121	0.6
61.98706	13.9
63.96103	1.9
64.79243	0.6
67.01736	1.1
69.03329	1.2
70.86021	1.4
70.86375	0.8
71.01250	13.5
72.99165	1.3
73.02817	2.9
73.36983	0.6
78.98462	8.0
79.95602	19.3
80.96390	99.8
81.03322	1.6
83.04879	1.0
85.02824	6.1
87.00755	6.7
89.02325	1.1
93.03341	5.0
94.97958	22.0
95.01285	1.0
96.95882	9.8
97.02802	2.7
99.00725	1.3
101.02305	4.2
106.97964	3.8
111.04408	1.4
113.02312	1.5
122.97484	4.3
125.02341	4.8
127.03908	1.3
133.05000	0.6
134.97476	7.4
135.04362	0.7
136.99043	2.3
146.97530	0.7
148.99030	9.6
152.98543	9.7
164.98537	17.0
173.04462	3.0
185.73161	0.7
186.57420	0.7
191.05534	23.7
192.05846	1.5
206.99606	4.1
209.11758	7.5
225.00685	31.0
427.20770	0.6
497.02783	0.7
509.16742	3.3
529.91180	0.7
541.19537	2.6
563.20844	0.9
577.26074	0.9
737.30688	0.7
751.31299	1.3
769.33112	100.0
770.20746	1.1
770.33643	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	771.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18622	0.7
57.03310	1.1
59.01248	13.0
67.01766	1.4
68.99688	1.0
69.03308	0.9
69.61508	5.9
71.01250	16.6
72.99173	2.5
73.02801	1.0
75.00743	10.4
83.01242	1.8
85.02827	16.2
87.00752	6.4
88.35410	0.8
89.02310	6.0
91.05404	3.9
93.03330	1.7
95.01273	4.6
96.95883	1.9
98.19790	1.6
99.00748	6.6
101.02311	4.3
103.00263	1.4
110.19066	0.9
111.00740	1.5
111.04407	1.1
113.02323	19.3
115.00211	1.2
117.01843	1.2
117.03336	2.7
119.03408	1.6
121.02827	12.6
129.01828	1.3
135.04393	5.1
147.40717	0.8
151.03957	0.9
158.06027	1.6
159.06371	0.8
161.04459	1.0
175.02328	1.1
179.05516	2.0
179.10716	4.5
191.05516	10.1
202.05191	1.0
205.12274	4.6
207.04901	0.8
212.30299	0.8
223.13300	1.0
225.07579	1.5
231.05222	0.8
249.06107	17.5
263.07666	3.6
267.07211	47.4
268.07449	2.3
382.11401	2.2
383.11725	1.6
385.11389	100.0
386.11761	9.4
427.53653	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	771.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.8
61.98687	0.3
62.13526	0.2
65.73339	0.2
71.01238	0.5
71.02840	0.5
71.68373	0.2
73.02814	1.6
75.00739	0.3
78.95780	0.3
80.96400	0.5
89.80917	0.2
99.00762	0.8
99.51439	0.2
99.92456	9.7
100.92469	0.5
114.93301	0.3
116.92738	100.0
116.97124	9.3
117.01812	2.8
117.92749	3.8
160.07904	0.2
171.86856	0.2
191.05511	0.4
254.57216	0.2
255.23222	0.2
291.43073	0.2
313.19040	1.0
681.35004	0.3
771.39575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44357	1.6
55.86211	1.3
57.03302	2.8
58.00459	1.7
59.01249	30.4
59.69971	1.3
67.01761	40.9
68.20781	1.3
68.99686	33.1
69.03326	36.0
70.00046	1.4
71.01250	26.9
71.36542	2.6
72.99178	2.4
73.02814	9.9
81.03289	2.1
83.01260	2.7
83.04877	1.3
85.02814	19.8
87.00758	3.5
89.02322	17.6
90.27355	1.4
93.03326	11.8
93.06903	1.3
93.90307	1.5
95.01253	17.9
95.04892	34.5
96.05215	2.6
96.95885	6.5
97.02806	6.2
99.00745	1.7
99.04416	2.2
101.02319	82.4
108.02032	2.8
109.02790	3.4
111.00770	23.2
111.04386	1.7
113.02327	29.6
119.03378	6.6
119.04881	4.7
121.02840	100.0
121.06447	4.0
122.03115	3.4
123.04404	39.6
124.04723	1.8
125.02334	3.6
127.03897	77.7
128.04211	2.2
131.03415	2.2
134.03659	1.7
135.04387	3.4
137.02327	4.3
137.05952	2.5
138.99403	1.5
139.00305	16.1
139.03926	2.9
143.03389	7.8
147.04404	7.2
149.02324	10.9
153.05428	1.6
155.03401	71.5
155.04674	3.5
156.03746	3.0
159.04314	1.9
161.02400	1.9
161.04463	15.9
163.03873	3.1
165.05450	16.8
165.21330	1.5
169.04953	4.6
173.04482	2.8
179.03427	2.2
179.05458	7.3
179.06914	2.8
181.04958	7.5
191.03378	4.0
191.05486	20.0
192.05801	2.1
197.04413	5.4
209.04468	1.8
209.11732	1.9
223.06062	16.6
225.07642	3.2
225.11212	3.9
227.05566	2.3
241.07263	2.4
257.06760	2.7
297.90103	1.4
309.09723	7.6
317.08719	4.1
344.29578	1.6
369.12021	2.8
375.68604	1.5
387.13104	3.4
471.08676	3.0
471.15009	40.8
471.21765	2.5
472.15298	4.6
489.16003	6.2
509.12875	9.1
513.15912	1.9
541.15430	7.7
547.27356	1.9
579.17133	5.6
741.22388	16.3
742.22858	2.3
773.24951	54.2
773.38525	2.0
774.24835	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	773.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
59.81182	0.1
61.98685	0.3
69.71201	0.1
71.01259	0.6
78.95766	1.7
79.95602	3.0
94.92342	0.3
96.92120	0.6
96.95882	100.0
97.61756	0.1
97.95814	0.2
98.02381	0.1
98.65314	0.1
99.00777	0.1
101.89084	0.1
112.06583	0.1
118.96553	0.2
133.54868	0.1
141.07344	0.1
146.95967	0.2
151.11166	0.3
152.99518	0.1
159.72260	0.1
169.12236	0.6
171.10141	0.2
191.05522	0.4
207.10196	0.3
209.11838	0.3
253.09227	0.2
277.21716	0.3
397.13416	0.2
407.17227	0.2
415.14722	0.2
435.07983	0.3
453.09106	0.7
461.19757	0.1
593.26837	0.2
657.31049	0.2
713.30499	1.0
714.30951	0.2
717.30719	0.2
773.42365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09565	0.1
59.01253	0.2
61.98696	0.1
71.01248	0.5
71.58755	0.1
78.95766	1.4
79.95602	3.1
89.02274	0.1
90.96987	0.1
94.92362	0.1
96.95883	100.0
97.02776	0.1
97.95812	0.4
98.02358	0.2
101.02308	0.1
111.00732	0.1
116.98580	0.1
118.96546	0.2
125.02314	0.1
128.98596	0.1
144.98055	0.1
146.96014	0.1
159.88245	0.1
163.11319	0.1
168.98192	0.1
169.12317	0.1
171.10190	0.2
172.97644	0.1
177.17789	0.1
191.05571	0.2
207.10179	0.1
209.11731	0.2
217.00310	0.1
225.11201	0.1
253.09190	0.1
259.01315	0.1
277.21725	0.2
291.03992	0.1
293.20956	0.1
333.04855	0.1
361.04596	0.1
397.13501	0.2
407.17365	0.3
415.14713	0.1
435.08029	0.6
453.09189	1.0
454.09875	0.1
495.10202	0.1
593.26282	0.1
713.30682	1.0
714.31488	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	773.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25465	3.2
59.01237	19.9
61.98699	7.5
68.99676	5.5
69.03320	3.6
70.07526	12.4
71.01237	16.1
73.02802	5.0
75.00741	3.9
82.95293	4.2
85.02811	12.3
87.00732	5.2
89.02307	4.6
93.03333	14.2
96.95881	55.9
98.20496	4.2
98.95440	5.3
101.02285	9.6
104.54131	3.3
109.02834	4.2
111.04401	6.3
127.03931	4.6
135.04352	8.0
137.02322	3.7
155.03329	6.3
171.10138	4.1
173.04468	11.5
191.05527	100.0
192.05956	4.5
199.09578	3.6
209.11761	72.4
216.02719	3.3
219.15300	3.1
227.12814	13.5
253.09059	6.1
254.69618	3.1
326.60873	3.3
327.21664	5.8
445.20462	4.5
539.21698	3.3
581.27832	7.6
673.35583	4.4
705.59784	3.4
773.37347	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	775.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	1.5
58.00457	5.4
59.01249	100.0
67.01756	2.3
68.99684	27.3
69.03320	7.4
71.01250	80.7
71.58793	2.0
72.99187	5.6
73.02822	2.1
83.01247	2.1
85.02824	15.3
87.00755	3.0
89.02314	86.8
91.30627	1.2
93.03320	2.6
95.01259	35.4
101.02319	80.2
108.01999	1.4
113.02320	25.1
119.02568	2.0
119.03384	27.3
121.02794	3.8
123.04408	35.5
125.02357	1.4
127.03893	2.3
131.03378	3.5
135.04422	1.2
143.03384	5.1
147.04362	1.3
149.02338	2.4
149.04410	1.8
155.03404	71.8
156.03679	1.1
161.04437	3.7
165.01764	1.5
165.05507	2.0
175.03900	4.1
179.05516	15.6
181.04947	5.2
191.05522	18.2
193.04988	1.4
195.06567	1.7
207.06482	1.9
221.07961	1.4
225.07567	11.2
248.47522	1.2
250.05893	1.2
276.65125	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	775.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.7
59.92831	0.7
60.24305	0.6
67.01762	2.0
68.99673	5.2
69.03313	1.9
69.37069	6.9
71.01257	2.7
75.00750	0.9
76.84471	0.8
85.02811	2.3
89.02326	2.0
93.03332	6.6
95.01273	5.8
96.95890	2.2
101.02315	11.9
108.02058	0.9
109.02818	4.5
121.02827	6.2
122.03645	8.9
123.00804	1.1
123.04424	11.4
124.01569	1.4
127.03859	3.9
129.01793	0.7
133.02899	1.2
134.03603	1.7
135.04393	3.3
136.01566	1.7
137.02330	11.6
138.02823	0.9
139.00189	0.9
139.03946	1.3
141.05383	1.0
145.03990	0.9
147.04486	0.9
149.02342	24.4
149.05911	1.4
150.03131	88.3
151.00276	8.9
151.03906	4.7
152.01036	1.6
152.04729	5.1
153.01770	1.1
153.05472	1.0
155.02180	1.5
155.03397	18.7
156.03813	1.0
161.02428	1.0
161.04677	0.8
162.03191	1.2
163.03899	2.2
164.04677	5.4
165.05479	100.0
166.02620	27.3
166.05836	2.6
167.03296	2.4
173.04431	1.3
175.03967	2.3
177.01810	1.1
177.05481	3.2
177.18320	0.8
178.02621	1.3
179.03418	2.1
179.05540	0.9
179.07072	1.6
180.04210	6.9
181.04982	37.0
182.05333	1.0
184.03720	1.0
187.03873	2.1
190.02657	1.4
190.06252	1.2
191.03590	1.4
191.05522	16.1
191.07124	1.4
192.04221	1.6
192.05865	1.3
193.04932	2.1
194.05847	0.9
195.06552	59.3
196.06834	2.7
202.06241	1.3
205.01315	0.8
205.05000	6.2
205.08691	1.0
206.05666	1.4
207.02921	1.0
207.06641	1.1
210.63524	0.9
220.07352	4.4
221.08095	1.3
225.07594	6.0
235.09712	0.8
243.08725	1.6
251.63574	0.8
282.05359	0.9
285.09790	2.2
291.18979	0.7
315.08679	1.5
329.10251	1.7
359.11243	1.0
372.11987	1.5
387.10703	3.5
387.14978	6.7
402.13092	4.5
403.13980	2.2
405.13974	1.8
415.13763	1.0
416.14648	3.2
417.15506	52.5
418.15894	4.0
535.16748	2.5
550.18109	1.4
565.20752	53.2
566.21234	6.9
583.22180	2.1
595.21765	2.3
607.69989	1.0
613.22845	32.7
614.23425	5.5
691.43396	0.9
779.84076	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	775.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.6
60.13469	0.7
67.01775	1.7
68.99678	2.1
69.28331	2.7
69.28752	5.7
71.01257	3.4
72.99181	0.9
75.86633	0.7
85.02833	3.0
85.48100	0.7
87.00750	1.2
89.02325	1.6
92.55457	0.8
93.03341	4.9
93.46468	0.7
96.95897	3.3
98.75140	0.8
99.65012	0.7
101.02332	5.0
108.02044	1.7
109.02839	2.8
113.02305	1.2
114.98035	0.7
121.02837	6.3
122.03641	3.4
123.00771	2.2
123.04456	1.3
124.01567	1.3
134.03622	2.0
135.04407	8.2
136.01558	23.5
137.02350	18.3
137.22083	0.8
139.03888	1.0
147.04414	1.8
148.01569	0.9
148.89278	0.8
149.02333	3.6
150.03151	10.2
151.00282	4.7
151.03908	29.3
152.01036	1.2
152.04593	0.8
153.01738	0.9
155.03426	4.1
159.04408	0.9
161.02293	1.1
162.03098	1.1
163.03915	3.4
164.01057	2.3
164.04657	0.9
165.01840	100.0
165.05464	8.8
166.02614	17.6
167.03424	4.6
172.05219	0.8
173.04553	1.8
173.05945	1.2
174.03204	0.9
174.47665	0.8
175.03954	3.3
177.01927	2.4
177.05508	1.8
178.02615	0.9
179.03418	24.9
179.06990	0.9
180.04198	59.5
181.04976	22.4
182.05450	0.9
187.03978	0.8
189.05466	2.3
190.06262	6.1
191.03841	0.7
191.05530	14.2
191.07083	1.3
192.04237	1.4
192.05855	1.3
193.04927	1.7
194.05772	5.1
195.02879	2.8
195.06554	88.0
196.06905	3.7
205.05026	1.1
205.08614	1.5
207.06667	1.6
210.05276	10.7
221.08131	1.0
225.07635	66.2
226.07954	2.2
296.06851	1.0
309.07468	0.9
329.10275	1.4
342.10959	1.4
354.47635	0.9
356.12714	2.0
357.09763	3.7
357.13437	6.9
359.11383	1.1
372.11920	4.8
373.12906	1.9
383.63971	0.9
386.13632	4.3
387.14490	52.4
388.14709	3.6
417.15570	3.3
535.19629	1.6
550.18298	1.4
553.98450	0.8
565.20740	55.7
566.21069	6.6
583.21582	1.1
595.21954	1.1
613.12915	1.4
613.22821	27.2
614.23376	3.6
733.98572	1.0
775.33374	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	775.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47145	1.0
57.21170	1.0
58.00496	1.1
59.01249	28.2
59.84027	1.2
69.03326	26.8
69.66863	2.4
69.67278	5.9
71.01254	18.0
74.79081	1.0
75.33942	1.1
83.78495	0.9
85.02844	1.5
87.00723	1.3
88.10536	1.3
89.02311	19.9
93.03329	7.6
95.01244	1.2
96.07026	1.1
97.02826	33.0
101.02311	11.1
103.84659	1.3
105.03352	1.3
105.77395	1.1
113.02303	6.8
119.03397	8.9
123.04396	6.8
143.03433	1.5
149.05997	11.8
161.04520	1.6
167.07037	4.8
179.05521	3.3
183.54060	1.1
193.04979	29.7
194.05257	1.8
296.14221	1.1
373.11374	100.0
374.11746	8.0
567.12494	1.1
600.98785	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	775.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
57.98087	1.3
59.01249	15.6
60.99177	2.2
61.98718	4.6
67.01759	1.4
69.03343	1.9
71.01255	27.4
71.01652	1.4
71.58811	2.6
72.99189	3.4
73.02816	2.1
83.04915	2.6
85.02805	14.8
87.00750	8.3
89.02315	8.4
93.03336	21.0
96.95879	9.0
97.02867	2.6
99.04369	1.7
100.13275	1.5
101.02321	11.3
108.63795	1.3
109.02838	2.0
109.06464	3.9
111.04404	4.8
113.02334	4.9
116.92777	1.7
119.03384	4.6
121.19388	1.4
123.04475	1.4
125.02299	2.0
125.06032	1.6
125.09629	1.8
127.03903	2.9
127.11201	1.8
129.01753	1.8
135.04437	2.1
143.03481	1.7
155.03470	2.4
155.10760	2.2
159.04485	1.4
161.04494	2.4
163.11203	3.9
171.10216	7.8
173.04491	12.1
173.05894	2.3
175.03931	3.1
175.07526	1.6
176.04695	1.8
179.05501	3.9
187.07571	1.5
191.05537	100.0
192.05957	3.3
199.09688	11.6
200.04626	1.5
201.11282	5.8
207.10173	16.0
209.11755	19.9
211.07582	2.9
215.07066	3.1
215.12885	3.2
217.08841	1.7
225.11250	14.8
227.10776	3.2
227.12868	5.1
229.08653	1.8
233.06522	3.8
235.08244	3.2
253.09381	2.2
279.16129	2.6
298.10849	1.6
309.20831	2.8
335.99323	1.4
341.23376	1.4
373.16638	1.7
397.13416	21.8
398.13867	2.4
415.14511	14.7
427.21097	1.7
445.22342	3.8
521.54205	1.7
539.30365	2.7
565.27936	3.1
583.28857	2.3
597.24036	9.3
601.30359	7.0
605.22473	4.7
623.25488	10.8
624.26117	4.6
757.34509	4.0
775.34711	15.6
776.35767	2.7
798.44299	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	775.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.1
61.98698	0.2
71.01254	0.3
71.58677	0.1
71.59090	0.2
78.95776	1.3
79.95606	3.0
85.02818	0.2
87.00735	0.1
89.02347	0.2
93.03294	0.1
94.92391	0.2
95.97453	0.2
96.92083	0.4
96.95885	100.0
97.95840	0.4
115.28284	0.1
118.96467	0.2
173.04469	0.1
191.05533	1.1
279.23303	0.5
293.21161	0.2
361.04608	0.2
397.13394	0.1
409.18970	0.4
435.08188	0.5
453.09247	1.0
715.32062	1.0
801.83270	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	775.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02228	0.8
55.82529	0.7
58.10681	0.7
59.01229	2.4
60.99169	3.8
61.98690	0.9
65.03813	0.8
66.98680	0.7
67.01759	15.8
67.88107	0.7
69.03309	2.9
71.01250	5.0
71.10135	0.7
71.14861	1.9
76.15412	0.8
78.95759	1.4
80.96400	1.0
81.03323	3.7
81.35192	0.8
83.04879	3.1
85.02805	1.0
87.00749	18.9
93.03333	100.0
94.03659	1.3
95.04892	1.0
99.00747	2.2
99.04387	1.6
105.03334	2.8
109.02811	2.9
109.93133	0.7
111.04397	11.9
113.02335	1.6
129.01790	1.2
133.02847	14.1
134.03604	2.0
135.04382	5.7
137.02293	2.4
143.03447	0.8
143.93542	0.9
150.03117	0.7
155.03377	2.3
160.44756	0.8
173.04468	35.8
173.05986	1.8
177.01813	4.3
178.02615	2.6
179.03400	2.1
182.17926	0.9
191.05528	10.9
215.05525	3.3
333.02371	0.9
351.07169	7.2
601.33856	1.6
602.83289	0.8
629.99060	0.9
701.36023	1.1
775.39014	67.9
776.39063	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	775.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46003	0.6
56.82399	0.8
57.03315	1.4
59.01244	2.7
60.45573	0.7
60.99171	5.1
61.98700	0.9
62.87610	0.6
64.89741	0.9
65.03828	1.3
67.01763	14.0
69.03321	3.9
71.01253	5.5
71.14558	1.5
71.14905	0.8
73.02805	0.7
78.95774	1.5
79.97386	0.7
81.03328	3.1
83.04893	2.9
83.72771	0.7
85.02823	2.0
87.00748	17.5
93.03333	100.0
94.03674	2.2
95.04892	1.1
96.95869	1.6
99.00764	2.1
99.04399	1.4
101.02321	0.8
105.03360	2.1
109.02844	1.9
111.04401	10.4
116.92736	1.2
125.79263	0.7
129.01799	2.4
133.02834	12.2
133.79050	0.7
134.03596	3.1
135.02945	0.8
135.04399	6.3
137.02339	3.4
141.56784	0.6
142.84538	0.7
151.03868	0.9
155.03372	2.7
173.04465	61.0
174.01620	0.7
174.04771	1.6
177.01828	3.2
178.02602	5.9
179.03413	3.8
191.03932	1.2
191.05531	12.7
215.05530	3.1
220.59709	0.7
222.18100	0.6
255.23415	0.7
305.26337	0.8
307.07974	0.8
351.07272	5.7
425.49811	0.8
515.94861	0.7
588.87170	0.8
601.33948	4.0
622.38843	0.8
701.34821	1.1
775.39014	55.1
776.39551	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	775.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.7
67.01765	0.2
68.99684	4.5
69.03329	0.2
70.00004	0.1
71.01246	0.7
71.59193	0.1
72.99149	0.1
78.95771	0.8
79.95603	2.9
85.02774	0.2
87.00732	0.1
89.02319	0.4
93.03313	0.5
95.01254	1.0
96.95883	100.0
97.95804	0.3
97.96362	0.1
98.02353	0.4
101.02316	7.1
102.02679	0.2
107.04938	0.1
109.02840	0.1
113.02365	0.1
119.03424	0.2
121.02824	0.1
123.04386	0.3
127.03900	0.1
135.04401	0.4
137.02278	0.1
143.03386	0.1
143.68338	0.1
150.03145	0.2
151.03845	0.1
155.03398	3.0
156.03714	0.2
163.03894	0.1
165.01828	0.2
165.05392	0.1
173.04410	0.1
179.05548	0.1
180.04156	0.1
191.05519	1.2
191.07126	0.1
195.06516	0.7
207.02884	0.1
211.54875	0.1
225.07642	0.3
352.08029	0.1
381.11697	0.2
479.77768	0.1
543.17188	0.9
544.17114	0.2
581.19080	0.2
613.21283	2.7
614.21716	0.5
715.49323	0.1
716.50787	0.3
770.50769	0.1
775.25696	0.1
775.47180	0.1
776.27069	0.1
786.78558	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	777.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.7
59.01252	16.3
61.98690	10.9
64.56165	2.3
67.18987	2.5
71.01249	30.8
71.58681	3.0
71.59103	3.8
73.02822	3.7
73.51192	2.2
83.04903	2.9
85.02803	15.6
87.00748	10.1
87.61713	2.3
88.98699	3.9
89.02282	13.0
93.03331	25.5
95.63375	2.6
96.95868	16.4
99.00742	3.3
101.02309	11.1
105.49783	2.5
109.02857	4.3
109.06453	3.8
111.00797	2.8
111.04388	3.5
113.02335	4.4
119.03332	3.7
135.04381	5.9
159.04503	3.0
168.23253	2.7
171.10144	5.2
173.04518	16.9
175.03899	3.9
179.03432	3.6
179.05428	2.9
181.12268	2.9
184.76535	2.6
185.11887	2.7
191.05531	100.0
192.05841	11.7
193.05991	5.0
199.09674	9.0
201.05476	3.6
207.10185	21.9
209.11833	17.7
225.11197	20.1
227.12828	5.0
235.08134	3.3
397.13535	28.7
415.14478	13.5
425.77856	2.9
447.23755	4.3
554.80365	2.7
597.23834	11.4
603.32074	4.9
623.25439	12.8
624.26648	4.3
700.01025	2.8
777.35016	19.7
778.35297	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	779.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	1.0
59.01248	29.3
60.99167	0.5
67.01751	1.2
69.03320	28.3
69.94180	1.4
70.03648	0.5
71.01247	21.3
72.99183	2.6
83.01253	1.0
85.02808	4.4
87.00739	1.2
89.02312	22.8
93.03333	6.6
95.01244	1.3
95.04884	0.7
97.02821	38.6
98.19816	0.5
101.02316	11.3
104.92602	0.4
105.03335	1.3
108.02074	0.5
113.02327	6.5
119.03389	7.2
119.04867	0.5
121.02819	1.7
121.06445	1.5
123.04389	7.3
131.03358	0.7
134.03508	0.5
137.62193	0.4
141.01820	1.7
143.03304	1.1
149.02342	0.5
149.05975	12.5
150.06358	0.5
158.83745	0.4
161.04439	1.0
167.07014	5.3
168.12971	0.5
179.05527	2.9
191.05482	0.8
193.04970	27.7
194.05238	0.7
215.09134	0.5
287.34430	0.4
373.11346	100.0
374.11646	6.9
484.83560	0.4
691.22906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	2.5
58.10902	0.5
59.01246	36.7
60.09753	0.5
60.99173	0.9
67.01750	0.8
69.03324	32.8
69.89992	3.0
71.01248	26.5
72.99181	2.7
73.02817	1.2
75.00723	1.0
79.01718	0.8
81.03312	0.8
83.01264	1.4
85.02814	5.6
87.00743	1.6
89.02313	24.6
93.03324	8.6
95.01244	2.2
95.04898	1.3
97.02824	56.5
98.03143	1.0
99.00772	0.8
101.02309	13.3
105.03341	2.5
107.04892	2.3
108.02049	1.1
109.02806	1.0
111.00793	0.7
113.02326	9.4
117.03322	0.8
119.03383	9.6
119.04874	2.8
121.02842	4.4
121.06454	1.9
123.04395	11.4
129.01784	0.6
131.04907	0.8
133.02826	1.2
133.40469	0.6
135.04411	3.0
137.02309	2.4
137.05991	1.0
141.01854	3.1
143.03415	1.0
145.02812	0.8
147.04382	3.2
149.02362	0.7
149.05988	14.1
151.03819	1.1
161.04457	1.0
163.03920	2.9
165.05455	0.6
167.07056	5.1
179.05548	3.3
181.04944	1.2
188.57130	0.6
189.01942	0.7
191.03360	1.6
191.05524	0.7
193.04984	28.2
194.05261	1.6
207.02963	1.0
209.04305	0.6
224.84482	0.5
225.03986	1.5
281.17731	0.7
338.97812	0.7
371.09775	1.6
373.11356	100.0
374.11722	6.1
375.11917	0.8
405.10214	1.3
766.30664	0.7
814.36633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55972	0.6
59.01247	0.7
61.98712	1.8
62.39891	0.5
63.96094	2.1
69.03329	1.2
71.00882	0.9
71.01250	10.7
73.02814	2.4
78.95778	2.7
78.98453	7.2
79.95604	17.9
80.96387	100.0
81.03333	1.6
82.95943	1.1
85.02829	2.6
86.25957	0.6
87.00747	3.2
94.97954	23.1
96.95882	1.5
96.96852	0.6
97.02837	2.5
99.00746	1.0
101.02315	3.2
106.97949	4.5
110.00137	0.5
113.02341	1.2
122.97454	4.3
125.02337	4.3
127.03863	1.3
134.97467	6.8
136.99013	1.6
148.99034	7.1
152.98520	7.8
152.99469	0.4
163.11211	0.6
164.98532	19.2
176.15227	0.5
193.81041	0.6
199.13371	0.9
206.99611	4.6
207.10184	1.0
209.11787	1.8
225.00688	32.5
225.11206	1.6
241.01190	1.5
255.23233	4.3
265.18518	0.6
277.21558	0.6
283.04956	1.1
300.79303	0.6
329.70502	0.6
404.73697	0.6
507.15143	1.2
525.16168	1.6
537.27173	2.0
682.09924	0.6
709.38495	0.7
737.37769	0.8
763.39392	10.2
764.39221	2.6
781.40430	93.7
782.40881	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	781.4049
Annotation	Withanoside VI
Peak:m/z	Relative Intensity
59.01247	1.0
63.96101	2.6
69.03329	1.2
70.26967	0.9
70.27309	2.6
71.01250	10.8
73.02822	2.9
78.95770	3.1
78.98460	9.0
79.95602	21.1
80.96388	100.0
81.03334	1.6
85.02823	4.1
86.21932	0.7
87.00750	3.5
94.86861	0.7
94.97369	1.3
94.97964	20.1
95.01303	0.7
96.95892	1.6
97.02847	1.7
98.71170	0.7
99.00751	0.9
101.02326	3.1
102.52480	0.6
106.97969	5.2
122.97477	5.2
125.02342	4.3
127.03893	1.5
130.65091	0.6
130.66087	0.6
134.97473	7.6
136.99026	2.0
138.60916	0.6
146.97563	0.8
148.99069	9.4
152.98521	8.3
152.99529	0.9
164.98540	15.9
170.60394	0.7
171.10150	1.0
173.44719	0.6
173.88411	0.6
188.98546	0.9
206.99646	3.8
207.10237	0.9
209.11736	1.8
225.00696	29.1
225.11137	1.0
241.00885	0.9
255.23210	4.0
258.98322	0.8
283.05090	0.9
453.14142	1.0
507.15396	2.3
525.16656	1.2
537.27271	1.8
687.39703	0.8
696.50964	0.8
709.38428	2.4
715.18835	0.8
763.39343	34.8
763.53320	1.7
764.39392	4.7
781.40466	76.1
782.40588	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	782.518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15309	0.6
59.01255	0.7
66.03354	1.1
71.01231	0.8
71.02372	1.0
71.59061	0.8
74.22457	0.6
79.95563	0.5
80.04927	0.9
80.96380	2.0
82.06492	2.4
87.05557	6.3
93.03319	0.7
94.06489	1.0
96.95874	1.1
97.00235	0.6
97.03940	1.4
98.02328	0.5
105.45927	0.5
110.03475	1.2
111.42847	0.5
112.07568	2.3
114.09081	0.8
116.92732	0.5
118.06536	0.6
121.03948	1.7
127.08668	1.2
129.10225	20.3
130.08635	3.0
130.86465	0.6
131.04956	1.2
133.32262	0.5
138.07927	0.6
139.08661	4.3
140.07079	4.9
145.40424	0.6
146.06044	2.8
151.08633	0.8
153.10220	1.6
154.12486	0.5
155.08156	4.1
155.11766	1.6
164.09467	6.0
165.10226	5.7
166.08624	0.8
167.08186	0.8
180.11320	0.7
182.12947	4.1
182.15439	0.8
183.11310	3.0
191.05476	2.2
195.14891	2.0
197.16499	4.2
200.13995	6.6
207.14952	18.1
208.13377	0.9
208.15222	0.7
214.12308	0.8
223.11987	1.0
224.17635	8.0
225.15991	3.9
231.14905	0.8
241.13426	3.4
242.11893	3.1
242.18681	14.7
243.19041	0.7
259.14526	5.5
268.16711	1.6
268.20264	1.3
276.17169	1.0
280.18945	0.6
295.21356	8.7
310.25006	1.2
312.17108	2.9
313.22388	3.1
319.72888	0.6
325.50363	0.8
329.19727	2.1
330.18240	1.8
337.26065	8.8
338.26297	0.7
347.20770	1.1
355.27005	4.4
371.24353	1.3
389.25589	1.0
395.59515	0.6
468.35318	0.6
522.36957	0.6
539.39240	4.5
556.34918	2.3
573.37457	5.1
574.37970	0.8
585.04279	0.7
615.42194	2.5
782.51831	100.0
783.52118	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	785.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.6
61.98693	0.8
70.98624	0.2
71.01268	0.3
76.03116	0.2
77.93515	0.2
91.01766	0.5
93.03374	0.3
98.19770	0.4
101.00115	0.2
108.00507	0.2
108.90072	1.2
114.22501	0.2
120.02020	0.6
120.79569	0.2
121.02837	100.0
122.03172	2.8
131.07529	0.3
133.05006	0.2
136.01547	0.6
163.03909	0.2
165.01834	2.6
173.04353	0.2
180.05696	0.3
181.05023	0.4
181.06500	2.3
191.03419	2.4
191.05495	0.5
197.06030	0.3
197.11745	0.5
207.10056	0.3
207.74773	0.2
209.04483	64.7
210.04785	2.9
225.05528	3.0
226.06038	0.3
234.76382	0.2
291.19730	0.6
313.07159	4.4
314.07382	0.4
342.10175	0.2
357.06027	1.9
401.08713	10.1
402.09055	1.1
472.22241	0.2
502.11252	0.2
741.14948	0.3
785.16956	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	786.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	5.8
61.98688	2.1
65.14414	1.3
67.01747	3.4
68.99683	2.5
69.03318	2.2
71.01254	14.8
72.63060	1.3
72.99161	4.3
73.02790	2.0
75.00723	1.8
82.02847	7.1
83.02385	1.6
85.02828	13.8
87.00745	5.3
88.03900	11.8
89.02325	2.0
93.03342	28.6
95.01259	2.3
96.95889	5.0
97.03946	4.0
98.02327	2.4
99.01862	2.2
99.05517	6.4
101.02326	5.2
107.04944	2.3
109.02821	4.0
109.03974	7.3
110.02347	2.4
111.03160	3.3
111.04394	2.6
112.03918	2.2
114.01854	25.8
115.08617	2.3
116.04910	7.6
116.07040	1.6
117.03367	8.1
118.06534	8.2
119.04914	18.4
120.04388	1.9
121.02847	4.0
123.04414	1.4
123.05496	1.7
125.07093	4.5
126.04225	1.3
126.05447	2.7
127.03900	5.6
127.05005	23.3
128.03429	12.7
131.03638	11.1
132.04428	4.1
133.02866	2.0
133.05215	9.0
134.03606	3.9
134.05995	18.7
135.04405	27.7
137.02289	4.1
139.05032	2.2
141.06563	4.5
144.04482	6.6
145.02892	1.4
146.02386	1.7
146.06015	2.0
151.03870	4.6
153.06593	2.4
155.03389	3.0
155.08173	4.1
158.06007	4.3
159.04501	1.7
160.03940	6.8
161.04439	1.4
161.07201	1.4
162.03111	1.8
162.05579	1.7
163.03897	13.2
166.06038	3.0
167.04581	2.4
169.07765	1.7
170.06010	2.5
171.04091	2.3
171.05487	3.6
173.04459	19.7
174.05382	1.4
178.04997	2.8
179.03406	3.9
181.04991	26.5
182.05267	2.0
184.07385	2.4
187.05035	14.3
188.03500	3.2
188.07069	4.9
189.06654	3.8
191.05522	100.0
192.05792	3.9
198.12454	7.2
198.64308	1.3
199.12357	4.5
200.05731	1.5
200.10747	1.8
201.06592	1.8
202.08675	3.3
208.10835	1.6
210.08806	1.8
211.08800	2.6
215.11838	4.1
216.10269	1.6
224.10225	1.3
226.06143	1.4
227.08109	1.7
227.11783	1.9
229.09842	7.4
231.07700	6.8
233.12917	19.1
242.08234	4.9
243.11348	6.6
245.09552	6.7
249.08760	9.2
253.08533	2.2
254.09328	33.3
255.07622	5.2
259.10867	20.2
269.12988	2.8
272.10434	8.5
276.07507	1.7
277.08450	1.8
304.16370	1.7
308.10095	5.2
308.14096	2.0
310.15570	6.5
326.15222	2.7
328.16672	2.4
330.14563	2.0
336.13589	6.0
337.09451	3.0
343.09985	1.3
343.14352	5.6
348.15665	10.3
352.07974	13.2
353.15930	1.8
354.14633	2.5
360.17093	2.9
361.15610	4.2
370.38455	1.6
377.09985	1.6
386.15094	10.1
404.16202	2.0
439.13727	2.1
471.20386	18.2
472.20694	2.0
489.21222	11.1
515.19305	64.5
516.19678	5.9
542.23969	4.3
560.24994	4.7
586.22992	8.5
604.24103	83.4
605.24329	10.4
613.19568	2.0
697.25360	1.9
768.28271	1.5
786.29871	72.0
787.28253	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	787.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.4
70.50459	0.2
71.01270	0.5
74.06839	0.2
85.02812	0.4
86.44842	0.2
87.00753	0.2
88.98676	0.7
89.02293	0.2
92.50533	0.2
93.03328	1.2
101.02330	0.6
104.76488	0.2
121.02837	3.7
133.06454	0.3
134.03607	0.3
135.04413	3.1
136.01500	0.3
137.02342	0.6
143.07042	0.2
149.02339	30.6
150.02692	0.7
151.03934	0.8
152.01042	6.3
157.44745	0.2
159.85811	0.2
161.04401	0.3
161.85535	0.2
163.03923	4.9
164.04686	24.0
165.01849	1.3
165.05075	1.1
167.03406	0.9
169.04968	2.7
173.11438	0.2
174.05579	0.3
177.32907	0.2
179.07051	9.8
180.04164	0.3
180.07338	0.5
184.40063	0.2
191.05576	0.6
193.01347	15.3
194.01703	0.4
194.54865	0.2
202.91064	0.2
207.02959	0.4
208.03702	38.8
209.04039	1.4
219.41780	0.2
223.06058	100.0
224.06400	4.2
265.07025	0.4
269.10211	0.2
327.82147	0.2
347.48798	0.2
385.11380	23.7
386.11841	1.8
401.14575	1.1
419.12326	0.2
448.58624	0.2
707.75244	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	787.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.9
59.01249	14.7
61.98694	0.7
62.22136	0.3
66.69095	0.3
67.01762	2.4
68.99686	41.0
69.03324	17.4
69.39991	2.8
69.99999	0.8
71.01252	11.3
72.99181	0.7
73.02815	0.4
80.96422	0.4
83.01228	0.4
85.02819	3.0
87.00746	0.9
89.02315	11.5
90.50592	0.3
93.03325	0.9
95.01260	33.8
96.01563	0.5
96.95883	8.2
97.02821	1.5
99.00763	0.6
101.02319	79.6
102.02654	1.7
111.04392	0.5
111.77987	0.3
113.02331	3.9
116.92759	0.4
119.03387	4.5
121.02845	0.7
123.00762	1.0
123.04390	2.8
125.02361	0.7
127.03868	1.6
129.95692	0.3
131.03406	0.7
135.04335	0.5
143.03429	0.9
144.25395	0.3
149.02312	0.7
155.03400	100.0
156.03772	3.5
157.42096	0.3
161.04459	0.9
171.10179	0.8
173.04422	0.9
179.05550	1.5
191.05534	5.0
192.05862	0.3
197.11742	0.6
207.10193	0.5
209.11673	1.7
225.11375	0.5
229.15952	0.3
255.02902	0.3
392.89563	0.4
523.25153	0.7
555.28070	30.9
556.28339	3.5
593.29175	0.6
594.30518	0.4
607.31506	1.4
625.32257	7.7
626.32739	1.1
755.36218	0.4
787.37567	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	788.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.9
59.01246	12.0
61.98702	2.4
67.01756	3.5
68.99683	91.0
69.03328	2.0
71.01244	12.2
71.04875	3.4
71.58644	2.7
72.99165	2.4
73.02808	2.5
80.82439	1.4
81.39711	1.5
83.01300	1.4
84.04424	1.7
85.02844	9.4
87.00739	3.2
89.02318	5.1
93.03331	21.0
95.01254	3.5
95.04882	4.0
96.95885	31.5
97.06478	1.7
98.95464	1.9
101.02315	100.0
102.02662	3.0
105.32577	1.4
107.04916	7.3
109.02833	3.5
109.06459	1.6
111.04367	3.3
113.02312	3.5
116.92736	3.2
119.04897	1.9
121.06457	1.5
122.03562	1.9
123.04436	2.7
127.03885	3.9
133.02829	5.2
133.06529	2.4
135.04387	6.5
148.03993	2.3
148.07573	1.5
150.78674	1.5
151.03874	1.5
155.03392	8.5
156.03777	2.5
171.10147	3.2
173.04436	5.8
173.05881	1.9
177.12637	1.7
191.05528	43.3
192.05888	3.2
195.13968	1.9
197.11787	2.6
203.10664	1.9
209.11684	6.9
211.07455	2.2
214.99518	1.3
218.08286	2.2
221.11816	2.9
224.42239	1.9
225.11331	2.4
228.10228	1.5
234.07719	2.4
236.09219	1.8
237.14818	2.4
243.17598	1.5
249.15030	2.2
251.16475	3.8
287.16528	5.1
289.18112	5.1
299.12820	1.7
305.17523	5.9
331.15707	1.5
372.21793	1.6
390.22916	2.3
404.17264	4.9
488.24780	3.6
506.25522	5.9
524.26636	3.0
576.25806	4.9
594.27124	3.3
752.32513	10.5
770.33887	36.0
771.33240	7.6
788.34735	35.1
789.34576	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	789.383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	29.8
61.98700	35.2
69.47598	14.0
69.59203	13.7
71.01251	32.6
71.30174	30.0
78.95775	21.8
79.95589	15.2
85.02822	14.4
93.03344	26.6
96.95904	46.5
109.06490	28.0
127.89982	12.8
137.45963	14.4
147.45093	11.8
152.99495	15.3
171.10173	14.0
173.04477	24.0
175.03966	13.3
191.05559	89.0
197.11768	28.1
202.30331	13.6
207.10201	90.4
209.11743	66.6
225.11325	34.0
249.51175	12.7
253.09253	38.9
280.58475	13.7
289.18164	44.8
291.19641	32.9
307.19138	29.7
309.20804	100.0
753.40875	48.0
789.38422	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	791.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.0
57.47281	0.8
58.00451	3.1
58.71899	0.7
59.01248	68.6
59.32500	0.9
65.03542	1.0
67.01763	6.4
68.99686	11.2
69.03323	27.5
69.28253	8.3
70.56956	0.9
71.01249	46.8
72.01612	0.9
72.99171	2.3
73.02816	1.4
83.01252	1.9
85.02821	9.2
86.39877	0.8
87.00751	2.5
89.02311	66.4
92.99753	0.8
93.03329	2.2
93.53158	0.8
95.01260	3.3
95.04900	27.8
98.19690	1.3
99.04383	2.0
101.02319	43.6
108.02058	1.3
111.00752	18.2
113.02325	21.1
119.03387	26.0
119.04816	5.4
121.02840	100.0
121.06468	3.1
122.03139	2.6
123.04399	18.5
127.03905	10.8
127.77450	1.0
131.03381	2.8
135.04381	1.5
137.05942	2.7
139.00270	13.7
143.03400	6.9
147.04430	5.5
149.02310	4.0
149.04449	2.6
161.04443	8.5
163.03926	1.4
165.05493	18.8
178.05833	0.9
179.05565	53.2
179.07057	11.1
180.05916	1.3
181.04968	3.1
191.03435	3.4
191.05563	1.6
198.22368	0.9
209.04482	2.7
223.06067	44.1
224.06383	2.4
241.07040	1.5
251.53447	0.9
261.58142	1.0
267.07309	1.8
272.30945	1.1
333.08234	2.7
353.96588	1.3
371.09796	47.8
372.10059	4.2
385.11520	1.1
403.12408	34.1
404.12769	3.9
447.35574	1.0
473.88113	1.0
597.20233	0.9
680.07886	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	791.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	0.6
69.94489	1.6
71.01247	0.9
83.98357	0.3
89.02319	0.6
93.03333	0.8
94.26125	0.3
94.27244	0.3
96.95889	0.8
109.02821	0.4
121.02829	2.8
135.04411	2.0
137.02338	0.7
149.02344	26.7
150.02721	0.8
151.18301	0.3
152.01071	5.3
153.01439	0.5
163.03909	4.5
164.04697	20.8
165.01823	1.1
165.05035	0.9
167.03404	1.1
169.04973	3.1
179.07047	7.3
191.05511	1.0
193.01350	13.3
194.01678	0.5
208.03708	32.9
209.04063	1.5
223.06065	100.0
224.06404	4.5
265.07080	0.6
269.84012	0.4
373.11270	0.6
385.11380	30.8
386.11630	2.0
432.68240	0.4
505.70389	0.4
598.43195	0.4
753.66644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	11.9
60.36294	7.1
61.98693	22.2
70.00884	28.3
71.01254	19.1
85.02825	9.8
93.03309	39.5
94.96297	7.2
96.95891	33.8
98.20460	9.4
121.02935	8.3
133.02853	20.1
135.04427	23.7
142.13171	8.0
149.60854	7.4
154.12082	7.6
158.97574	7.2
161.02448	7.2
171.10182	25.8
173.04410	20.3
187.07550	7.8
191.05537	86.4
197.11813	12.1
209.11742	100.0
215.05421	8.4
227.12822	30.7
253.09251	25.6
291.19644	15.6
309.20654	63.9
351.07132	31.5
611.54230	9.2
660.38977	8.6
791.40143	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	793.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	3.2
58.74345	1.3
59.01248	68.6
67.01745	5.4
68.99679	10.5
69.03323	28.9
69.49242	1.2
70.03651	1.5
71.01250	42.5
72.64165	1.1
72.99162	2.8
73.77067	1.2
85.02409	1.2
85.02819	7.5
87.00743	2.4
88.18925	1.2
89.02312	71.3
89.04836	1.2
90.02652	1.5
91.24272	1.3
93.03348	2.4
95.01254	2.8
95.04898	31.4
96.05234	2.1
101.02322	41.6
111.00763	17.1
113.02327	18.3
119.03384	29.9
119.04796	2.4
121.02841	100.0
121.06489	3.6
122.03167	6.7
123.04408	22.7
127.03882	8.3
128.04341	1.8
131.03409	4.0
137.05975	1.9
139.00269	14.9
139.03877	2.9
143.03378	6.9
147.04395	3.8
149.02344	4.7
149.04446	2.3
161.04495	8.5
165.05521	19.1
166.05727	2.0
179.05560	52.6
179.07066	10.7
180.05872	3.1
180.07370	1.3
181.04861	6.5
186.95288	1.5
191.03464	3.5
191.05563	5.6
193.50163	1.4
194.26202	1.2
209.04483	3.3
220.69644	1.2
220.75024	1.5
223.06062	44.4
224.06412	3.4
229.30493	1.9
241.07045	1.9
333.08212	2.0
339.35852	1.2
371.09808	50.2
372.10123	5.1
373.10413	2.2
403.12421	38.5
404.12686	4.1
405.13138	1.5
539.01257	1.5
550.07770	1.3
605.96130	1.4
679.50360	1.4
740.75281	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	793.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.2
59.01237	1.0
61.98697	0.3
71.01262	0.2
71.30107	0.3
71.30475	0.2
73.02811	2.8
73.32588	0.1
74.02314	0.3
75.00748	1.0
87.00749	0.2
89.02300	0.3
92.92759	0.3
93.03339	0.4
96.95866	0.2
99.00751	1.5
99.92453	10.0
100.92461	0.4
108.92287	0.2
114.93280	0.6
116.03436	0.3
116.92737	100.0
116.97122	9.6
117.01811	5.0
117.05473	0.7
117.92744	4.7
147.25121	0.2
152.16318	0.2
191.05528	1.1
210.37390	0.2
235.08331	0.2
277.21802	0.4
312.30154	0.2
335.17557	0.8
391.16165	0.2
397.13556	0.3
455.04764	0.3
473.10681	0.3
809.05621	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	795.3661
Annotation	Itralamide B
Peak:m/z	Relative Intensity
57.03307	4.4
59.01250	19.9
61.98685	1.6
67.01748	1.4
68.99680	1.6
69.03318	4.4
71.01248	18.9
71.04890	1.0
71.58880	1.1
72.99169	2.2
73.02801	1.8
74.54639	1.0
79.95609	1.3
80.02479	0.9
81.03330	2.0
83.01250	2.1
83.04889	3.8
85.02827	7.7
87.00737	6.3
89.02312	10.6
93.03325	10.2
95.01283	1.7
95.04903	1.8
96.95895	5.7
97.02821	2.3
97.06461	14.5
99.00736	1.4
101.02312	13.5
108.01965	1.0
109.02812	1.7
111.04403	1.8
113.02352	5.5
119.03387	3.8
123.04370	1.9
123.08012	7.9
125.02307	2.0
125.09605	100.0
126.09925	3.4
127.03883	1.4
129.01828	1.4
133.02780	1.3
134.03584	1.6
135.04413	7.4
137.02339	2.9
143.03331	1.1
143.10692	1.9
150.03101	1.1
155.03413	3.2
156.28273	1.0
161.04430	1.9
163.11165	2.8
165.01804	1.4
165.05533	1.0
169.08611	1.3
171.10138	2.0
173.04453	5.5
173.05740	1.4
179.03403	2.8
179.05580	2.0
187.09679	77.0
188.09979	3.8
191.05542	29.8
192.05940	2.3
195.06454	1.5
201.11136	1.3
209.11765	29.0
210.12119	1.7
221.06566	3.8
225.11305	1.4
227.12807	2.4
255.23694	0.9
345.22757	2.2
352.07867	1.8
397.13574	1.5
449.14398	1.6
567.22614	2.5
585.23810	10.1
695.38641	1.1
777.35394	3.7
795.36475	79.8
796.36798	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	795.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98693	0.6
71.01257	2.7
80.96374	0.8
87.00780	0.6
89.02322	2.0
96.95899	0.8
98.20571	0.7
101.02322	1.6
113.02345	1.1
119.03394	0.5
125.02301	0.5
141.01593	58.9
161.04538	0.5
183.72627	0.4
191.05513	1.4
255.23259	6.4
260.30298	0.5
306.49155	0.5
337.23572	4.6
377.85147	0.5
397.13452	10.8
415.14651	1.9
419.11798	2.2
437.12634	4.4
469.06400	0.8
597.03711	0.5
610.30072	0.5
653.37512	1.8
675.35779	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	795.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01574	0.9
61.98709	0.6
64.84752	0.4
71.01248	2.2
71.59366	0.7
78.95746	0.4
80.96377	0.7
83.01250	0.4
85.02818	0.5
89.02303	1.5
96.99236	0.5
101.02314	2.1
113.02338	1.1
116.99643	0.4
121.47772	0.4
125.02338	0.8
141.01588	65.5
142.01929	1.0
161.04463	0.5
171.10219	0.4
191.05496	1.2
209.11621	0.5
232.44321	0.4
235.08232	1.0
243.04749	0.4
255.23273	7.6
277.21597	0.7
323.09457	0.4
337.23608	5.1
397.08344	0.7
397.13470	11.8
398.14090	0.6
415.14532	2.1
419.11694	2.8
437.12653	4.1
523.82269	0.4
653.37323	2.1
675.35590	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	797.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.1
58.00462	5.5
59.01249	100.0
67.01785	3.5
68.99689	5.8
69.03324	66.4
71.00887	6.2
71.01249	91.7
72.99168	11.7
73.02821	18.5
75.00742	10.0
75.92278	3.5
79.85406	2.8
80.02496	2.9
81.03323	7.4
83.04868	2.9
83.38777	2.9
85.02832	34.9
87.00731	6.7
89.02317	76.3
93.03366	21.4
95.01248	10.0
95.04900	17.3
97.02233	5.7
97.02826	70.8
101.02316	81.0
107.04896	46.7
108.40633	3.0
109.02853	6.7
109.06437	5.4
111.00758	5.0
111.04387	12.8
113.02326	46.7
119.03371	36.0
119.04886	11.9
121.02833	13.9
123.04398	18.6
125.02334	8.2
125.06052	3.4
125.15615	3.9
135.04373	6.1
137.02318	13.0
137.05952	27.2
139.00288	5.6
139.03929	18.7
141.01826	8.4
143.03354	4.4
149.05939	8.8
151.03860	9.6
155.03363	5.4
157.04947	12.2
161.04419	3.8
163.03900	13.0
165.05415	3.4
169.04958	7.3
179.05498	5.7
181.04948	31.7
183.02905	10.3
191.05527	5.1
193.04964	25.0
196.20200	2.9
199.06088	39.5
225.03897	5.4
229.59065	4.3
233.76624	3.1
243.04950	3.2
251.59454	3.0
290.51675	2.9
299.51501	3.1
311.56686	2.9
357.05545	4.5
373.07129	4.3
373.11411	53.4
374.11877	5.1
420.64328	3.5
423.11407	6.0
444.55981	3.9
781.64294	3.5
811.51996	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	799.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	97.2
59.01250	93.4
71.01254	13.0
71.59142	2.4
73.02830	2.3
73.54064	1.5
77.87693	1.5
81.03332	3.2
83.01257	2.3
85.02815	7.3
87.00748	2.5
88.40161	1.5
93.03336	5.8
95.01199	1.8
96.95882	7.0
99.04393	100.0
100.04716	4.0
101.02316	31.2
113.02319	4.2
123.04425	2.4
125.02332	56.8
126.02679	2.0
143.03392	6.6
147.04355	2.0
155.03363	2.3
155.61252	1.8
161.04485	4.0
173.04449	4.2
183.58971	1.5
191.05542	24.7
209.11734	2.2
213.05505	1.8
269.10452	10.8
311.07837	3.8
311.11292	20.9
351.14447	4.0
397.13248	2.1
413.14453	31.4
414.14853	3.9
662.80212	2.0
759.63379	2.0
818.96979	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	799.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.0
58.00453	2.1
59.01249	28.4
61.98698	1.6
67.05325	1.1
68.99687	1.3
69.03309	1.9
71.01250	100.0
71.58545	1.3
72.99177	1.5
73.02814	6.9
75.00758	1.9
81.03313	2.6
83.01246	3.0
83.04887	2.1
85.02821	8.2
87.00759	7.5
89.02310	20.5
93.03330	3.5
95.01260	2.2
96.95871	6.2
97.02814	8.2
99.00739	3.8
99.04392	1.1
101.02320	18.2
109.02882	2.1
109.06470	24.3
111.04430	1.6
113.02332	9.9
114.58291	1.1
116.92588	1.1
119.03383	7.6
121.06474	1.3
123.04369	1.5
125.02328	4.4
125.05907	1.0
125.09534	1.2
135.04427	2.5
135.08064	3.0
136.05191	1.9
137.02290	1.8
141.01865	1.7
142.02602	2.9
143.03389	4.1
151.07399	1.3
161.04462	4.4
161.09642	2.0
163.11172	13.5
171.10139	7.9
173.04469	2.2
179.05537	3.5
181.12228	5.4
185.11729	1.7
189.09099	1.9
191.05527	10.9
197.11845	1.3
199.09702	2.4
201.11240	6.5
207.10194	67.4
208.10422	2.6
209.11758	3.6
211.07603	4.6
221.06584	2.7
225.11266	52.1
226.11568	2.8
235.08122	6.6
243.12376	5.3
253.04674	1.6
253.09119	1.8
255.06726	2.7
305.08649	1.6
382.31378	1.1
397.13470	23.5
398.13760	2.5
415.14481	18.8
461.19907	1.1
623.25433	33.0
624.26324	9.8
625.26550	1.4
641.26465	1.4
799.46039	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	801.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	2.4
58.00456	2.4
59.01246	34.5
69.03332	2.1
71.01248	100.0
71.58863	3.1
72.01584	2.7
72.99178	3.0
73.02814	6.6
81.03295	4.6
83.01257	4.1
85.02819	10.4
87.00736	6.8
89.02313	28.1
93.03323	5.5
95.01243	1.9
96.95878	8.0
97.02818	6.8
99.00739	3.9
101.02315	22.7
109.06466	30.5
111.04404	2.4
113.02319	8.4
116.92728	2.6
119.03407	8.9
123.04441	1.8
125.02328	4.7
135.08031	4.0
142.02573	2.6
143.03357	2.4
155.03308	1.9
161.04466	6.7
161.09634	3.8
163.11171	16.0
171.10141	9.1
173.04491	4.3
179.05522	5.4
181.12273	8.0
185.11731	4.0
191.05536	20.7
192.05917	2.0
197.11815	4.7
199.09599	3.8
201.11232	10.6
207.10178	70.9
208.10471	4.2
209.11743	8.1
221.06583	3.1
225.11249	56.5
235.08209	5.7
243.12288	4.2
253.08965	2.9
263.07620	2.3
273.57437	2.0
372.00623	2.1
397.13321	24.4
415.14490	20.6
443.19370	2.1
623.25482	36.1
624.26147	11.3
769.38623	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	801.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.1
59.01241	13.9
60.99172	2.1
61.19518	1.1
61.98695	14.2
63.55392	1.0
68.99667	1.1
71.01251	22.3
71.58267	1.3
72.99174	2.8
73.02815	5.5
83.01235	3.6
83.04926	1.4
85.02824	11.6
87.00731	3.1
93.03313	5.0
95.01257	2.6
96.95888	10.4
97.02802	2.1
97.06461	1.4
99.00729	2.5
101.02322	12.2
107.04913	1.1
109.06438	3.0
113.02310	4.2
116.07050	1.2
127.03904	1.5
134.03555	1.2
135.04388	1.5
137.02293	1.1
140.52000	1.2
155.03319	2.3
161.04488	2.1
169.12234	1.2
171.10222	1.6
173.04411	4.1
181.42227	1.0
182.12436	1.1
191.05519	22.4
192.05772	1.2
207.10233	4.2
209.11781	4.8
225.11232	4.0
227.12837	1.2
327.21436	1.3
415.14459	1.3
434.71451	1.2
459.35010	2.3
617.67157	1.2
639.41431	1.8
801.46436	100.0
802.47015	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	803.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	2.4
59.01245	26.2
61.98699	3.9
67.01769	1.4
67.48412	0.9
68.99681	16.7
69.03321	5.3
69.83686	5.9
71.01252	18.9
72.99157	2.1
73.02804	2.5
78.95772	0.9
79.95600	2.4
80.04930	2.4
83.01263	1.2
85.02818	8.4
87.00767	2.9
89.02311	14.0
93.03322	5.9
95.01250	12.3
96.95882	56.2
97.02831	1.7
98.20575	1.4
99.00735	1.2
99.16476	1.0
101.02318	37.0
106.06513	3.9
111.04404	1.9
112.04024	0.9
113.02323	7.4
116.92758	2.1
119.02591	1.2
119.03342	5.5
121.02835	1.2
121.05221	1.1
122.06004	6.8
123.04400	11.5
127.03918	1.5
132.04472	2.0
134.06010	19.9
135.04427	2.1
137.02313	1.2
143.03374	1.4
152.07085	1.8
155.03400	38.7
156.03719	1.3
160.06265	3.0
161.04454	3.2
165.09212	1.0
171.10193	1.5
173.04446	5.2
174.05502	1.2
179.05482	2.0
181.05035	1.6
190.04979	2.1
191.05530	25.8
192.05833	1.5
209.11797	2.6
213.10254	14.2
225.07588	2.2
226.11092	1.5
239.11798	7.2
241.13417	7.1
251.11879	2.4
285.09271	1.0
285.12408	21.2
286.12888	1.0
293.13104	1.6
305.09299	1.2
309.09030	1.3
317.08691	1.4
328.10785	2.2
337.12036	1.9
340.14661	2.2
342.12512	1.7
343.13196	1.9
356.13977	2.0
357.14838	2.5
358.15518	7.5
359.15991	1.5
368.10187	1.6
369.14600	1.6
370.11588	1.6
370.15714	2.4
372.17191	1.6
384.13531	3.5
384.17682	1.5
396.13138	1.1
397.14114	1.7
398.14944	4.4
400.16537	6.1
412.16626	5.2
422.51657	1.0
426.14401	1.7
438.14871	1.1
441.12793	1.1
441.86096	1.0
444.15405	1.8
471.14841	5.4
489.15930	1.1
525.16235	1.8
545.21887	1.4
571.27417	5.4
595.20068	1.1
685.28546	1.7
727.29614	6.1
728.29620	1.7
743.29730	3.6
771.28705	100.0
772.28986	15.1
803.31055	16.2
803.42572	1.9
804.31250	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	805.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	4.0
59.01258	11.3
61.98680	5.9
63.02253	8.7
64.75214	2.1
65.00189	8.4
67.01746	4.0
68.99679	6.4
71.00867	1.9
71.01247	10.6
72.99188	2.2
79.95639	2.4
80.96411	2.7
81.03301	2.3
83.01243	5.3
85.02832	12.6
87.00743	4.4
89.02303	6.3
93.03345	16.6
95.01266	4.4
96.95889	29.3
97.06480	2.3
99.00748	2.7
101.02303	7.6
107.01278	13.5
108.02017	2.2
109.02830	3.5
110.77883	2.1
111.04398	4.7
113.02322	4.1
116.92707	2.0
123.00765	2.6
124.01588	11.6
125.02298	8.8
127.03916	4.0
132.02921	4.3
133.02832	2.6
135.04370	6.2
136.07661	2.4
137.02324	4.4
150.03079	5.8
150.99110	3.9
151.00269	54.0
152.01051	32.9
153.01796	3.0
155.03349	4.7
159.04333	3.3
165.01776	4.4
165.05423	8.5
166.02606	3.8
167.03374	2.5
169.01335	13.8
173.04501	14.0
173.05728	3.4
177.01741	4.8
178.99773	61.8
179.03291	3.5
180.00031	2.3
181.04990	10.3
187.03914	3.2
189.29572	2.0
190.13315	2.0
191.05531	100.0
192.05858	6.7
194.64977	2.0
195.06471	8.7
200.04678	3.9
201.05452	2.6
203.03381	8.8
205.04829	3.1
209.11716	3.0
211.07501	2.8
213.05502	3.0
218.05659	6.0
225.07608	3.0
227.03282	2.2
233.08165	13.2
242.10530	3.5
243.02956	3.6
244.09250	2.3
257.12833	12.9
266.05804	2.8
271.02274	6.3
295.13449	2.8
299.01852	9.0
300.02496	5.7
301.12027	15.3
311.12881	11.1
322.04944	2.9
329.14044	14.3
355.11670	6.2
387.14230	3.0
493.14902	9.4
503.16495	3.8
511.16373	3.1
562.08826	2.6
595.21191	3.4
787.25879	2.7
805.25354	87.7
806.25366	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	805.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	4.0
59.01258	11.3
61.98680	5.9
63.02253	8.7
64.75214	2.1
65.00189	8.4
67.01746	4.0
68.99679	6.4
71.00867	1.9
71.01247	10.6
72.99188	2.2
79.95639	2.4
80.96411	2.7
81.03301	2.3
83.01243	5.3
85.02832	12.6
87.00743	4.4
89.02303	6.3
93.03345	16.6
95.01266	4.4
96.95889	29.3
97.06480	2.3
99.00748	2.7
101.02303	7.6
107.01278	13.5
108.02017	2.2
109.02830	3.5
110.77883	2.1
111.04398	4.7
113.02322	4.1
116.92707	2.0
123.00765	2.6
124.01588	11.6
125.02298	8.8
127.03916	4.0
132.02921	4.3
133.02832	2.6
135.04370	6.2
136.07661	2.4
137.02324	4.4
150.03079	5.8
150.99110	3.9
151.00269	54.0
152.01051	32.9
153.01796	3.0
155.03349	4.7
159.04333	3.3
165.01776	4.4
165.05423	8.5
166.02606	3.8
167.03374	2.5
169.01335	13.8
173.04501	14.0
173.05728	3.4
177.01741	4.8
178.99773	61.8
179.03291	3.5
180.00031	2.3
181.04990	10.3
187.03914	3.2
189.29572	2.0
190.13315	2.0
191.05531	100.0
192.05858	6.7
194.64977	2.0
195.06471	8.7
200.04678	3.9
201.05452	2.6
203.03381	8.8
205.04829	3.1
209.11716	3.0
211.07501	2.8
213.05502	3.0
218.05659	6.0
225.07608	3.0
227.03282	2.2
233.08165	13.2
242.10530	3.5
243.02956	3.6
244.09250	2.3
257.12833	12.9
266.05804	2.8
271.02274	6.3
295.13449	2.8
299.01852	9.0
300.02496	5.7
301.12027	15.3
311.12881	11.1
322.04944	2.9
329.14044	14.3
355.11670	6.2
387.14230	3.0
493.14902	9.4
503.16495	3.8
511.16373	3.1
562.08826	2.6
595.21191	3.4
787.25879	2.7
805.25354	87.7
806.25366	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	805.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64269	0.6
59.01248	2.4
62.13760	0.6
66.79636	0.6
67.01755	2.4
68.78413	0.6
68.99664	1.7
69.26009	7.1
71.01241	3.7
71.57349	0.7
72.99191	0.8
81.03368	1.0
85.02823	5.2
87.00734	2.1
89.02311	1.2
93.03325	5.6
95.01240	1.8
96.95889	3.2
99.00777	0.9
101.02318	2.8
107.04889	1.0
108.02032	0.9
109.02799	5.0
111.04388	1.2
113.02347	1.1
115.00276	0.8
119.04937	0.7
121.02854	1.6
123.00793	1.8
123.04346	1.0
124.01553	0.8
125.02319	1.3
127.03937	0.8
134.03586	0.9
135.04401	3.0
136.01550	2.8
137.02333	24.9
138.03104	1.9
147.00742	1.0
149.02338	1.5
150.03102	2.4
151.00294	5.7
151.03893	4.8
152.00923	1.9
152.04672	2.9
153.01820	2.2
153.05505	3.3
155.03343	1.2
159.04407	0.7
161.02399	1.4
162.03120	1.3
163.03923	1.8
164.01045	2.5
165.01836	100.0
165.05472	5.2
166.02620	20.9
167.03360	3.6
168.04178	1.8
173.04474	2.8
175.03920	2.2
176.01041	2.8
177.01862	3.7
177.05428	1.4
178.02594	2.3
179.03410	22.9
179.06993	1.2
180.04192	60.9
180.14964	0.6
181.04967	27.4
184.03651	1.4
187.03937	1.7
189.05438	0.7
190.06209	0.9
191.03508	2.2
191.05534	34.8
192.04198	4.3
192.05853	1.8
193.01385	2.3
193.04959	2.6
194.05763	4.8
195.02916	3.4
195.06548	71.9
196.06953	2.7
203.03404	1.2
205.04985	5.4
207.02908	0.8
207.06543	5.4
208.03726	2.6
209.08144	1.2
210.05264	10.5
211.07573	3.0
220.07329	3.5
223.06081	4.9
225.07617	60.0
226.07979	3.0
226.89226	0.7
255.06587	1.3
341.10800	0.9
359.11496	1.4
371.11118	1.1
386.13574	1.0
387.10147	3.2
387.15158	4.1
388.11145	1.2
402.13391	2.3
403.14066	2.4
416.14688	3.2
417.15515	44.7
418.15930	3.2
446.32208	0.8
565.16931	1.8
580.19800	1.3
595.21820	50.5
596.22217	6.3
613.22125	2.1
625.22833	1.2
643.23901	29.0
644.24432	4.3
787.24506	3.7
805.26263	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	805.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.9
61.98695	0.5
67.01772	1.4
67.36627	0.4
68.99697	0.9
69.03336	1.0
71.01250	1.9
71.59185	0.5
76.77680	0.4
80.96359	0.4
81.03285	0.5
85.02823	2.1
87.00761	1.4
89.02312	1.1
89.36150	0.5
93.03324	2.6
95.01280	1.1
95.79877	0.4
96.95883	1.9
97.02858	0.5
101.02312	1.2
107.04891	0.6
108.02043	0.7
109.02814	4.6
111.04398	0.5
113.02335	0.7
119.03374	0.4
119.04887	0.4
121.02844	1.1
123.00732	2.1
123.04407	0.9
124.01569	0.6
125.02350	0.8
127.03876	0.6
131.04950	0.5
132.02930	0.4
133.02806	0.4
135.00684	0.3
135.04388	1.8
136.01595	1.4
137.02338	25.0
137.92030	0.4
138.03105	0.8
139.00262	0.6
139.03876	0.8
145.02893	0.4
147.00728	0.9
147.04362	0.6
149.02327	2.0
149.05966	0.5
150.03117	2.3
151.00261	11.0
151.03909	4.7
152.00998	1.2
152.04716	2.2
153.01860	0.8
153.05467	0.8
154.02646	0.4
155.03410	1.3
159.04401	1.5
161.02316	0.8
162.03133	1.3
163.03882	1.6
164.01036	1.7
164.04665	0.8
165.01833	100.0
165.05453	4.3
166.02621	31.6
167.03352	3.4
173.02434	0.6
173.04446	1.3
173.05832	0.4
174.00999	0.4
175.03903	2.1
177.01865	2.3
177.04019	0.4
177.05489	1.5
178.02589	1.4
179.03410	23.4
179.07002	1.1
180.04192	57.5
181.04971	40.1
182.05333	1.2
184.03673	1.3
187.03964	1.9
190.02585	0.9
190.06299	1.2
191.03656	1.0
191.05518	13.0
192.04199	1.3
192.05840	0.9
193.04944	2.3
194.05765	4.8
195.02927	2.6
195.06549	71.7
196.06905	3.0
201.48485	0.4
202.02612	0.4
202.06294	0.9
203.03438	0.9
203.21095	0.4
205.04985	5.8
205.08582	0.6
206.05771	0.6
207.06544	1.8
209.08165	0.5
210.05255	13.1
210.07277	0.7
211.05739	0.9
211.07651	0.6
212.37154	0.4
219.06537	1.2
220.07347	3.7
221.08104	1.1
225.07628	58.7
226.07993	2.2
235.09631	0.7
296.06747	0.6
297.07526	0.4
339.08566	0.5
341.10101	0.7
344.09030	0.6
354.11060	0.4
355.07892	0.4
357.10120	0.5
359.11246	2.3
371.11322	1.0
372.12048	0.9
373.12375	0.6
386.13727	1.2
387.10721	5.5
387.14648	5.8
388.10809	0.9
402.13065	3.7
403.13855	1.8
416.14706	3.1
417.15506	46.0
418.15872	4.2
535.16217	0.5
550.18750	0.7
565.16595	2.3
566.18652	0.5
577.21112	0.5
580.19562	1.1
595.21802	40.5
596.22125	6.2
613.23340	0.8
625.22650	0.5
643.23901	20.3
644.24066	3.0
709.91858	0.5
787.24133	1.4
805.26392	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	806.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00479	1.5
59.01253	25.1
60.99179	1.0
67.01756	1.2
69.03326	25.0
69.49139	6.6
71.01250	20.1
72.99190	1.1
85.02823	4.3
87.00760	2.5
89.02312	21.5
89.02824	1.6
93.03329	7.4
94.63736	0.8
95.01234	1.3
97.02821	34.9
98.19782	1.6
101.02320	10.0
105.03329	2.0
108.02061	2.4
110.36893	0.8
113.02331	8.8
119.03375	6.5
121.02858	2.8
121.06495	1.6
123.04407	7.6
131.03383	0.9
138.01860	38.5
139.02235	1.2
141.01811	1.5
143.03481	0.9
149.05975	15.2
161.04466	1.6
167.07054	6.4
179.05563	2.9
191.05521	3.3
193.04984	32.7
194.05289	2.3
373.11368	100.0
374.11731	11.9
506.35141	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	807.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.3
67.01744	0.5
67.73348	0.2
68.99686	0.2
69.03335	0.9
71.01254	2.8
71.58897	0.1
72.99173	0.3
73.02804	0.4
81.03316	0.3
82.46620	0.1
83.01242	0.2
83.04879	0.4
85.02821	8.2
87.00750	5.1
89.02304	0.4
93.03334	3.0
96.95855	0.3
99.00729	0.2
99.04397	0.4
100.27451	0.1
101.02327	0.6
108.02034	0.2
109.02821	0.6
111.00755	0.3
111.04396	1.0
113.02278	0.5
115.00246	4.9
127.03884	2.2
132.66255	0.2
135.12721	0.2
137.02377	0.2
139.00227	0.3
155.03397	0.3
157.01372	0.2
161.29416	0.2
171.02908	0.6
173.04446	1.1
175.02394	6.1
181.05006	0.3
191.05530	100.0
192.05879	3.1
203.01927	0.8
293.09656	0.2
315.65619	0.2
362.95438	0.2
419.15756	0.6
439.12259	0.2
457.13419	0.2
615.15814	0.9
631.18744	9.4
632.18988	1.3
664.01685	0.2
835.29706	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	807.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.6
60.12062	0.8
67.01767	1.9
68.99656	1.0
69.44024	7.2
71.01252	3.0
72.99178	1.0
81.03339	0.8
85.02820	4.1
87.00747	1.7
88.98695	2.0
93.03333	5.5
96.95877	4.6
98.20624	1.1
101.02318	1.3
109.02837	3.1
111.04410	2.2
113.02252	0.9
119.03396	0.9
121.02855	1.7
121.89400	0.9
123.00784	0.9
123.04405	1.4
125.02338	0.9
127.03941	1.0
133.02829	1.6
134.03679	1.2
135.04443	2.6
136.01526	1.7
137.02333	17.3
138.03107	1.1
145.02856	3.7
147.04395	3.0
148.01526	1.0
149.02330	9.1
150.03123	2.7
151.00272	1.2
151.03931	5.5
152.01019	1.6
152.04623	1.0
153.01833	1.3
155.03372	1.1
161.02348	1.2
162.03178	4.5
163.03935	8.5
164.01108	1.9
164.04688	5.5
165.01836	100.0
166.02449	3.9
169.04932	1.5
173.02425	1.1
173.04416	2.2
174.03143	1.6
175.03868	9.0
176.04691	2.5
177.01881	1.2
177.05533	5.4
179.03398	19.7
179.07027	5.1
180.04184	55.7
181.04950	6.8
187.07597	1.6
188.04738	2.8
189.05489	3.7
190.06229	9.3
191.03471	3.4
191.05510	29.3
191.07094	6.4
192.04214	1.8
192.05779	1.7
193.01350	4.2
193.04938	4.6
194.05766	12.4
195.02867	2.7
195.06543	58.0
196.06917	2.3
203.07074	2.5
205.05037	1.0
205.08604	10.2
206.05789	2.6
207.06540	9.0
208.03720	9.1
208.07359	3.6
209.04233	1.1
209.08144	2.9
210.05260	10.6
211.06038	1.1
222.08885	0.9
223.06041	15.8
223.09500	1.2
225.07629	40.3
226.08008	1.5
245.86911	1.0
257.07999	1.2
265.07166	2.1
301.11813	1.0
302.12021	0.9
315.12292	0.9
329.10016	1.1
374.13776	1.5
387.14520	1.1
388.15176	2.1
389.16037	39.5
390.16565	2.6
419.17010	3.1
449.14212	1.1
537.20941	1.0
552.20618	1.6
567.22290	37.5
568.22522	4.1
597.23352	3.9
615.24426	34.0
616.24286	4.2
645.25543	10.8
646.26440	1.4
807.27203	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	813.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29149	1.2
61.98698	2.0
63.96077	1.9
70.43996	5.3
71.01249	10.7
73.02831	1.8
75.18781	1.7
78.98449	7.4
79.95597	19.9
80.96385	100.0
85.02809	3.6
87.00761	3.4
94.97949	22.7
101.02318	3.3
106.97948	3.5
108.52966	1.3
122.97476	4.3
125.02300	3.5
134.97501	7.1
136.99045	2.0
148.92155	1.5
148.99017	6.6
152.98488	7.6
164.98509	14.2
171.10117	1.9
182.64725	1.3
206.99628	2.6
225.00684	25.0
226.01128	1.7
253.79578	1.5
255.23138	1.9
336.75467	1.4
453.14236	3.1
488.81073	1.5
537.27380	1.8
709.38373	64.5
710.38721	8.3
767.42737	1.9
795.42047	5.5
813.43073	32.9
814.43964	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	813.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44734	1.0
71.01242	3.5
72.05299	0.9
78.95772	77.8
78.97996	1.0
78.98446	3.2
79.95606	7.7
80.02526	2.5
80.20972	0.9
80.96388	38.7
81.03316	2.5
83.04890	8.2
84.02045	3.0
85.02852	1.3
87.00725	1.4
89.41908	0.8
94.97948	9.5
95.04867	1.1
96.86023	0.8
96.96259	1.4
96.96835	16.6
101.02283	1.4
106.97928	2.1
122.97449	1.5
125.02333	1.2
134.97406	2.7
135.08063	1.1
148.99016	2.6
152.98477	2.6
152.99522	16.4
154.69823	1.0
163.11194	6.6
164.98560	4.8
165.12711	3.9
171.16750	0.9
191.10623	1.8
200.37158	1.0
206.99599	1.4
209.11766	80.1
210.12094	4.8
223.00130	5.6
225.00752	8.0
227.12820	5.2
241.01147	38.1
242.01480	1.0
255.23271	49.9
256.23618	3.7
259.02237	2.1
297.03683	1.6
298.93182	0.9
315.04831	1.6
365.60468	0.9
391.22598	1.9
406.98114	1.2
453.14151	1.0
553.27826	3.0
709.38593	13.6
710.38763	2.8
723.39954	1.8
781.41595	4.8
795.41895	4.1
813.43872	100.0
814.44128	21.5
818.12598	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	817.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01578	0.8
61.98698	6.4
62.52438	0.3
63.97300	0.3
66.49870	0.3
67.90218	0.3
69.03314	0.5
71.01247	2.5
73.02814	0.6
85.02823	0.6
87.00735	0.4
89.02312	2.0
95.01258	0.5
96.95921	0.4
96.99219	0.7
97.02837	0.9
101.02335	1.8
101.02895	0.3
113.02317	1.1
119.03392	0.8
125.02334	1.3
125.03143	0.3
141.01601	59.4
142.01918	0.7
161.04497	0.4
179.05380	0.3
191.05548	0.8
235.08165	1.1
243.04787	0.8
277.21686	5.1
278.21890	0.4
359.22009	4.6
360.22372	0.5
397.13498	11.5
398.13815	0.6
415.14676	1.9
419.11676	2.2
437.12704	4.4
469.06366	1.1
593.27850	0.3
665.66058	0.3
675.35583	0.7
697.33600	1.6
785.23639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	11.6
61.98703	24.7
71.01245	17.0
71.58707	3.9
73.02811	6.2
80.96407	7.4
82.19196	3.1
85.02834	5.6
88.98698	3.0
89.02293	6.3
92.36312	2.7
94.00861	2.9
96.95880	11.1
97.02875	3.2
101.02338	8.4
113.02374	4.2
159.91925	2.6
164.98471	3.4
173.04413	3.9
191.05565	13.7
207.10327	6.9
209.11839	7.6
211.13377	6.1
225.11249	6.3
299.08301	3.7
397.13507	3.0
645.89923	3.0
781.47888	12.4
817.45435	100.0
818.46082	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	817.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.4
59.01247	42.6
61.98679	4.6
69.03309	3.1
71.01243	32.8
71.58339	2.1
72.99181	2.4
73.02822	9.7
78.91756	2.6
83.01244	5.5
85.02812	19.9
87.00740	5.9
89.02313	14.8
93.03329	14.6
95.01252	5.4
96.95880	31.2
99.00765	5.1
101.02308	24.3
109.02843	4.0
111.04391	4.1
113.02331	12.6
115.04977	3.3
116.92697	3.1
119.03384	4.7
121.02870	3.0
125.02292	4.3
127.03841	2.4
134.03677	2.4
135.04442	3.5
137.02379	2.7
147.04402	2.9
150.06757	5.1
155.03377	4.6
161.04533	4.0
161.09943	2.1
163.19212	2.0
164.07072	4.0
173.04468	8.7
173.05801	2.2
179.10701	2.8
182.82318	2.4
184.88658	2.0
191.05530	58.3
192.05899	2.8
197.23074	2.0
201.49666	2.5
205.34113	2.2
207.10236	4.0
207.81068	2.5
209.11781	9.7
211.13286	3.9
225.11241	4.2
227.07013	2.8
271.06055	2.3
487.67667	2.5
493.32730	2.5
525.89728	2.2
595.39209	5.9
625.25385	2.4
640.19556	2.3
757.42926	3.6
799.38116	3.8
817.46002	100.0
818.46558	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	817.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.3
58.00439	1.6
59.01249	38.7
61.98694	4.2
67.01735	1.8
67.55745	1.0
68.99670	1.4
69.03320	2.5
71.01250	30.3
71.58817	1.0
72.99168	3.7
73.02824	9.0
75.00764	1.1
79.95628	1.1
82.44263	1.0
83.01261	5.4
83.04894	2.4
83.34518	1.0
85.02821	16.4
87.00762	5.7
89.02313	13.1
93.03344	6.9
95.01249	3.2
96.95893	9.6
97.02826	2.5
99.00777	3.4
101.02316	26.1
109.02802	2.3
111.00715	1.0
111.04357	1.4
113.02311	10.6
116.92746	1.2
119.03387	4.2
121.02790	1.6
123.00762	1.0
125.02357	1.6
131.03415	1.2
135.04381	3.0
139.07625	1.1
147.04546	1.1
155.03401	2.9
159.02930	1.8
161.04445	3.6
163.11215	1.2
165.12746	1.5
171.10236	1.4
173.04454	3.9
179.05537	2.1
181.12328	1.1
191.03859	0.7
191.05510	20.2
191.10544	1.4
197.11760	1.9
201.11382	1.1
207.10164	1.4
209.11757	28.9
210.12080	2.5
227.12790	2.7
245.06549	1.4
282.94424	1.1
329.23132	2.2
331.18796	1.1
379.11642	1.3
397.13562	9.2
415.14328	1.5
433.32715	1.6
445.99493	1.1
471.26151	1.8
524.37726	1.2
593.40192	1.5
595.38678	7.5
757.43646	4.1
817.45923	100.0
818.46301	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	819.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00983	0.6
59.01252	5.5
64.40399	0.4
67.01758	2.3
69.03329	0.5
70.73264	1.3
71.01250	2.7
78.95821	0.4
79.05391	0.5
81.03325	0.5
81.31374	0.4
83.01239	0.4
83.04888	0.6
85.02820	4.0
87.00753	1.7
89.02309	1.6
93.03336	5.8
95.01254	0.6
95.04905	0.9
96.03114	0.4
96.95892	4.1
101.02324	1.8
106.06506	0.5
107.03607	0.7
108.04425	0.6
109.02836	0.6
111.04373	1.0
113.02324	0.7
119.03428	0.6
120.04446	3.0
121.05229	2.6
122.06013	6.7
123.06391	0.5
123.82838	0.4
127.03884	0.8
132.04402	0.4
134.06023	3.2
135.04390	1.8
135.06760	1.8
136.07578	11.3
137.02362	0.6
137.07903	0.7
145.05251	0.4
146.04486	1.0
148.07561	0.6
155.03378	1.3
158.02371	1.2
161.07091	1.2
162.05505	0.6
171.11700	2.6
172.07590	0.4
173.04495	3.2
179.03342	0.5
186.09131	0.9
187.07608	0.7
189.10269	0.5
190.05025	6.0
191.05533	24.9
192.05864	1.2
198.09236	1.9
199.09947	2.2
214.07428	0.7
214.12302	12.4
215.12585	1.0
226.07385	0.9
227.08244	2.7
228.08923	1.4
229.09801	5.1
229.55374	0.4
230.09990	0.4
230.11873	4.5
239.11850	0.6
240.10181	0.4
241.09782	9.8
242.10567	19.3
243.10881	1.5
255.03047	0.7
255.11127	0.5
256.03787	0.9
256.11942	0.7
257.12924	93.3
258.13263	6.4
264.04099	0.6
265.04907	1.0
266.05692	0.7
267.03119	0.8
267.06485	1.3
268.07654	0.4
269.04700	0.6
269.07898	0.4
271.06058	0.8
277.04993	0.5
281.08185	0.6
282.01807	0.4
282.05127	0.6
283.05939	0.8
293.04492	1.0
294.05353	1.3
295.02588	0.5
295.06021	1.0
301.11920	100.0
302.12268	8.7
311.05521	0.7
314.12479	0.8
325.10706	0.7
337.11859	2.2
338.12720	0.4
366.76193	0.4
391.11697	0.5
431.62225	0.4
449.14624	0.4
512.09564	0.7
515.11975	0.7
516.12592	0.9
517.18274	18.2
518.18707	2.6
588.99933	0.5
609.16254	1.6
610.15753	0.5
627.17389	0.7
722.17670	0.6
787.29126	0.9
801.22516	1.2
802.22363	0.7
819.31281	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	819.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	0.4
59.01248	100.0
59.15424	0.4
60.01587	1.0
61.98698	1.3
66.26059	0.4
70.08883	0.8
70.09276	0.9
71.01261	2.7
73.02828	0.4
88.83864	0.5
89.02327	1.8
97.02802	0.5
101.02319	1.5
113.02331	1.2
116.45592	0.4
119.03404	0.9
125.02348	0.9
141.01588	61.6
142.01883	0.8
191.05580	0.9
235.08194	0.6
243.04701	0.6
279.23248	7.3
280.23529	0.6
325.46442	0.4
361.23669	4.5
362.23825	0.6
397.13470	11.5
398.13779	0.8
415.14685	2.1
419.11749	2.5
437.12775	4.6
469.06528	1.0
677.37317	0.8
699.35626	2.6
700.34851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	17.8
59.55158	8.8
61.98684	16.0
62.51212	8.7
63.19541	8.4
70.94280	15.9
71.01255	89.8
80.96361	26.4
81.75228	8.7
83.01266	9.7
83.04888	12.0
85.02827	11.9
93.03315	12.3
96.95868	9.1
99.64417	8.6
101.02326	9.3
109.06455	39.9
119.00456	8.9
125.09600	9.2
163.11166	15.8
171.10159	25.8
178.21468	9.4
181.12221	11.0
191.05524	31.5
199.09648	22.6
201.11195	18.1
205.08650	14.2
207.10190	100.0
209.11737	88.5
223.09685	23.6
225.11282	75.3
227.12863	16.8
235.08139	15.4
253.09267	20.9
284.54150	10.4
306.41742	9.9
371.18069	11.4
461.20282	26.0
508.98770	10.9
541.84998	9.1
607.27734	12.1
625.28448	22.5
643.29376	11.4
651.29956	21.6
669.31384	14.7
687.32904	12.3
821.37958	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	823.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	6.4
59.01248	95.4
67.01766	18.1
68.70161	3.3
68.99680	17.6
69.03320	28.3
69.93368	3.7
71.01250	73.1
72.99207	5.1
73.02814	4.9
75.00743	4.1
83.01255	5.3
85.02805	41.6
85.03198	3.7
87.00759	15.1
89.02309	98.5
93.03340	14.5
95.01273	7.3
95.04900	37.8
99.00747	4.9
100.00948	3.3
101.02313	76.2
107.04918	11.2
109.02856	6.1
111.00740	20.0
111.04391	9.9
113.02312	39.8
119.03386	44.5
119.04919	11.2
121.02834	96.1
123.04419	25.1
127.03890	22.8
131.03386	5.4
135.04439	18.3
137.02335	15.3
137.05978	7.2
139.00258	25.0
139.03889	4.1
141.05693	3.9
143.03372	17.9
147.04356	8.5
149.02313	5.2
151.03923	8.3
155.03406	12.0
156.03685	3.8
161.02405	6.7
161.04475	18.8
163.03931	17.3
165.01852	5.3
165.05463	24.6
169.01375	24.6
177.05518	5.8
179.03429	12.7
179.05537	100.0
179.07063	10.2
181.04904	6.7
191.03806	5.8
191.05521	33.9
195.06538	44.2
207.02890	8.4
209.04486	6.0
213.07565	7.1
215.77757	3.2
223.06065	43.8
239.05537	52.3
241.07036	5.7
257.06619	6.9
267.07132	10.0
296.24448	4.0
339.78046	3.4
371.09766	55.8
372.10004	5.8
375.12994	7.0
385.11514	10.2
387.09253	18.8
403.12418	43.1
404.12729	5.9
419.12003	56.6
421.41382	3.7
585.25934	3.5
801.61804	3.8
823.27148	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	823.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	6.3
61.98713	3.8
64.08275	3.0
71.01255	27.2
77.04176	3.1
96.95896	5.8
98.20540	8.4
101.02309	6.1
109.06480	7.1
113.05959	5.5
150.32887	3.9
163.11098	3.7
171.10190	12.1
191.05545	10.8
199.09641	12.4
202.80359	3.9
207.10168	16.0
209.11760	100.0
225.11229	16.0
227.12837	28.9
235.08263	5.8
240.27975	3.6
253.09236	11.8
282.01547	3.4
461.19955	3.7
639.16370	4.0
671.32648	9.6
672.33051	5.6
823.38934	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	823.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	0.8
58.01125	0.6
59.01247	17.4
69.03326	2.6
71.01250	19.0
72.24045	0.7
72.99175	1.6
73.02798	1.8
75.67498	0.6
78.06029	0.6
78.95754	0.6
79.95633	1.0
80.02522	0.7
80.96386	6.1
81.03336	1.0
83.01237	1.7
83.04906	1.1
85.02814	4.0
87.00715	3.6
89.02316	13.6
89.02827	0.6
94.97968	1.3
95.01270	1.0
95.04898	1.8
95.89015	0.7
97.02821	2.9
97.06461	14.5
99.00738	1.2
101.02311	13.5
105.47903	0.7
113.02322	6.0
119.03403	3.8
123.08038	8.3
125.02344	4.3
125.09603	78.2
126.09922	2.0
143.03389	1.6
143.10663	0.9
161.04451	1.9
164.98563	0.8
169.08530	1.4
171.10222	4.5
179.05475	1.5
187.09669	44.3
188.09988	1.6
211.13289	1.9
221.06572	2.5
225.00676	1.9
235.08252	3.1
253.09143	4.0
255.23241	48.6
256.23517	2.7
277.21671	8.0
291.19620	0.9
293.21356	1.5
309.20673	2.9
311.22141	1.4
327.21735	11.7
397.13535	4.4
441.09631	0.7
567.22656	2.1
585.23914	2.1
733.38513	0.9
823.46875	100.0
824.47119	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	823.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.0
61.98691	1.4
69.03313	2.6
70.46255	1.7
71.01245	6.7
71.04887	1.5
78.95740	0.8
80.02539	1.2
80.96418	1.0
81.03362	0.8
83.04873	3.3
87.00717	0.9
89.02307	0.9
93.03345	1.4
95.04924	1.8
96.95878	0.7
97.06458	2.9
98.19833	1.1
109.06490	1.1
111.08073	3.5
113.09599	4.7
113.11757	0.7
125.09569	2.0
137.09636	0.9
139.11165	1.2
147.11690	1.3
149.09659	1.1
151.11179	20.0
153.12709	1.3
155.10713	1.0
163.11189	2.9
165.12746	24.1
167.10674	1.7
171.10109	1.7
179.10684	7.0
179.14270	0.8
181.12248	23.0
191.05530	3.7
191.10678	15.7
195.10179	1.0
197.11768	1.0
206.82892	0.8
209.11751	100.0
210.12161	4.8
211.13416	4.0
225.11186	1.4
227.12814	3.8
247.20633	5.1
253.09279	1.2
263.20120	2.8
265.21701	5.2
273.18552	1.3
277.21732	11.0
281.21198	3.8
291.19620	11.3
292.19934	1.1
293.54172	0.8
309.17209	2.8
309.20639	45.5
310.20779	4.0
500.43082	0.8
688.55310	0.9
709.17841	0.9
854.08331	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	827.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43840	0.7
59.01248	15.8
66.78960	0.7
67.01743	1.1
69.03325	1.8
69.57525	4.3
69.57934	1.1
71.01253	14.6
72.99194	1.9
73.02817	2.0
75.00764	0.9
80.02555	1.4
81.03314	1.7
83.01243	1.7
83.04893	3.1
83.17444	0.7
85.02815	6.1
87.00755	6.6
89.02324	12.0
93.03349	5.0
94.92097	0.7
95.01261	1.7
95.04881	1.3
96.95884	3.7
97.02846	1.3
97.06461	13.7
99.00756	0.8
101.02327	10.3
108.12769	0.7
108.86346	0.7
109.02826	1.3
111.04382	0.9
113.02315	5.5
119.03359	1.7
123.08042	6.6
125.02345	2.0
125.09610	100.0
126.09946	3.3
135.04410	1.7
137.02354	1.2
141.66045	0.8
143.03404	0.9
143.10646	1.4
145.02969	0.8
155.03384	1.1
160.41344	0.7
161.04431	2.2
163.03871	0.9
163.11180	3.0
165.12741	1.7
169.08601	2.5
173.04474	3.7
179.05515	1.5
187.09677	81.7
188.10028	3.0
191.05534	24.0
191.10686	0.9
192.05899	1.4
201.11409	0.9
209.11772	27.6
210.12186	1.6
215.07095	2.2
221.06604	4.7
227.12840	2.1
235.08128	1.1
240.07750	0.9
251.67371	0.8
261.13400	1.2
397.13361	1.2
405.17389	1.0
416.02527	0.8
469.80719	0.8
535.20233	1.1
567.22925	1.8
585.23578	5.4
608.58710	0.8
720.66364	0.8
777.35718	3.3
795.36505	97.3
796.36755	15.8
818.30548	0.9
827.39270	6.5
828.39508	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	831.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	4.4
67.01740	1.1
71.01231	4.4
73.02826	2.1
81.82727	0.9
85.02808	5.9
87.00742	2.1
89.02310	3.0
93.03313	7.6
96.95875	6.0
101.02298	2.8
104.08284	1.1
109.02832	1.6
113.02313	3.1
123.04402	1.2
123.08000	1.0
125.09600	2.8
127.11157	1.1
135.04410	3.1
135.08017	2.2
148.05220	1.5
149.02225	1.4
149.05980	2.9
150.06760	87.1
151.07242	1.8
155.03514	1.5
161.09544	1.1
162.06807	5.8
163.07550	26.5
164.08339	24.3
165.08902	1.0
171.10152	8.6
173.04478	3.5
176.08275	1.4
177.01936	1.2
177.09091	3.5
178.09935	1.7
179.10692	41.5
180.11003	1.9
187.07585	1.0
191.05539	24.6
209.11794	1.8
219.07634	1.1
223.91167	1.0
225.11171	1.4
237.48535	0.9
325.23911	1.5
327.21738	29.8
328.22183	1.8
351.21619	1.2
363.21930	1.4
364.22430	1.8
449.14252	1.2
461.32657	2.5
487.30682	1.3
488.31458	1.7
489.32199	9.6
505.31860	1.9
506.32440	29.8
507.33212	52.2
508.33536	5.0
521.34833	3.3
549.34186	1.4
651.37360	2.1
669.38550	26.7
670.38843	2.9
730.78168	1.2
799.29590	1.5
831.43817	100.0
832.44025	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	831.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	3.1
60.23796	1.1
62.12699	1.0
67.01733	1.3
67.31428	1.2
69.28065	10.6
69.28471	1.8
70.60537	1.0
71.01234	4.1
73.02837	1.0
74.19165	1.3
75.90007	1.1
85.02807	3.6
87.00712	1.9
89.97499	1.0
93.03324	7.3
96.95886	3.6
98.19691	1.8
101.02269	1.2
102.22897	1.1
104.64106	1.0
113.02319	2.1
123.07949	1.4
125.09615	3.0
135.04411	3.5
135.08057	1.4
135.92509	1.1
136.05205	1.5
137.02379	1.5
149.05946	2.2
150.06757	73.9
151.07127	2.5
162.06747	3.7
163.07552	21.1
163.22597	1.1
164.08308	17.9
167.80928	1.1
171.10242	6.0
171.35013	1.1
173.04453	3.3
177.09073	4.1
178.09865	1.4
179.03336	1.4
179.10674	37.2
180.11075	1.1
191.05502	15.5
209.11789	1.3
233.11794	1.3
297.85715	1.3
320.19690	1.5
322.47461	1.3
327.21741	26.2
328.22083	1.7
364.22162	2.1
389.58069	1.1
489.31805	7.8
505.31567	2.2
506.32373	27.2
507.33206	48.0
508.33902	6.5
521.34857	4.3
651.37390	2.6
669.38464	32.5
670.38806	3.1
799.30750	5.4
831.43768	100.0
832.43750	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	833.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.98700	8.9
71.01252	22.5
71.58547	3.7
75.00736	19.2
80.96357	4.0
87.00732	5.4
89.02303	7.7
90.11246	2.6
90.96995	3.0
92.25593	2.6
93.02084	2.7
95.01199	2.5
96.95889	12.8
97.02816	3.1
99.00750	2.8
101.02322	7.8
107.23323	2.2
109.06465	3.4
113.02345	7.1
113.05896	2.9
113.77770	2.5
116.98544	3.6
118.96504	4.5
125.02320	2.9
144.98132	3.4
146.96071	4.3
155.03276	2.4
156.91402	3.2
156.99013	33.8
157.01112	8.2
168.98050	3.0
171.10164	2.4
191.05548	5.0
201.00635	2.6
207.10172	3.4
209.11832	11.9
217.00258	2.5
225.11179	4.6
235.08293	3.5
277.21628	18.4
313.26016	2.8
361.04425	5.4
397.13483	37.6
407.17429	10.6
415.14484	12.7
435.08105	9.9
453.09207	33.7
675.35986	5.0
713.30450	54.5
714.31299	9.1
759.29523	2.9
820.54419	2.7
833.38214	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	833.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63027	1.0
59.01241	1.0
71.01244	1.3
71.59378	1.5
75.81625	1.0
78.95744	1.2
107.01258	2.5
107.47124	1.0
108.02055	1.1
114.52374	0.8
121.02831	1.1
122.02055	1.0
135.00761	1.3
148.01590	1.7
151.00261	6.7
163.00287	1.2
171.10194	1.2
173.91684	0.8
178.99742	3.0
195.10052	1.2
197.11794	1.1
199.03764	0.9
201.01836	1.0
209.11678	1.1
211.03798	1.1
222.69933	0.8
226.02640	2.0
227.03368	2.5
232.46355	0.9
243.02959	13.0
254.02147	3.1
255.02957	32.5
255.23232	1.3
256.03284	1.1
271.02466	63.9
272.02936	5.3
299.01877	2.6
300.02734	100.0
301.03336	12.6
397.13562	1.7
568.94464	1.0
595.13098	2.6
643.76874	1.0
697.09039	1.1
707.62280	1.2
833.35968	41.9
834.36353	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	833.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02667	0.7
59.01248	27.4
68.99689	0.8
69.03325	2.5
71.01250	23.4
71.04918	0.9
71.58353	0.7
71.58812	1.2
72.99181	2.3
73.02800	3.9
80.02556	3.3
81.03324	4.4
83.01267	2.4
83.04897	10.3
84.02050	1.5
85.02824	6.6
87.00755	5.2
89.02315	17.3
93.03326	4.4
95.01273	2.9
95.04912	2.2
96.95879	5.3
97.02834	8.8
97.06457	1.3
99.00782	2.1
101.02312	15.6
106.04124	0.8
107.04962	1.3
109.02845	1.1
109.06471	22.7
110.03640	0.9
110.06861	0.9
111.04425	2.7
113.02322	8.3
119.03372	6.2
120.51218	0.8
121.02859	1.0
121.06486	2.3
123.04442	1.0
125.02342	5.5
125.05953	0.8
125.09610	2.3
129.01822	0.9
135.04373	1.8
135.08078	4.3
135.35437	0.8
136.05180	1.6
141.01894	1.0
142.02623	2.4
143.03378	2.7
151.11182	0.9
161.04477	4.0
161.09647	2.1
163.11195	18.6
165.09128	1.3
165.12749	2.4
171.10179	3.8
173.04424	1.8
179.05550	6.5
179.10678	1.2
181.12241	4.5
185.11707	1.0
189.09218	1.4
191.03864	1.5
191.05531	10.9
191.10738	1.6
197.11693	1.0
199.13272	0.8
201.11234	0.9
207.10194	66.9
208.10512	3.7
209.11760	100.0
210.12195	4.7
211.13344	1.2
214.09103	0.9
217.12285	2.1
221.06601	2.2
221.11818	1.0
223.13231	0.9
225.11263	37.4
226.11632	1.6
227.12857	14.0
228.12979	0.8
229.12877	0.8
231.10143	0.8
235.08139	5.4
235.13341	1.0
243.12323	1.3
245.11722	1.3
249.11241	1.7
253.09114	1.2
263.12836	2.9
263.28516	0.9
299.15076	1.4
305.08783	1.1
330.65460	0.7
337.21069	0.8
373.23990	0.9
379.12338	2.8
389.23077	0.8
397.13486	28.7
398.13846	2.2
399.21603	2.5
415.14529	9.9
417.22617	5.1
435.23660	1.7
605.24530	5.4
623.25446	6.2
787.37305	0.8
797.35797	11.0
798.37384	1.5
815.37067	17.4
816.37384	3.4
833.37866	27.8
834.38354	5.0
859.73224	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	835.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	49.1
60.49323	1.9
60.99174	2.3
67.01770	2.4
68.99667	5.5
69.03310	2.8
71.01248	34.5
71.58731	2.9
72.99178	4.6
73.02814	3.6
75.00703	2.1
83.01246	3.0
83.04917	2.9
85.02811	17.1
87.00750	8.6
88.98682	7.8
89.02317	20.4
93.03338	22.1
95.01249	11.4
96.95882	5.9
99.00742	2.4
101.02311	27.3
106.06496	7.4
108.04435	3.1
109.02824	4.1
113.02323	11.2
119.03381	7.8
122.05965	8.8
123.03181	2.1
123.04390	5.6
124.03907	3.6
127.03889	4.1
134.03598	2.6
134.06009	46.9
135.02879	2.1
135.04398	8.1
135.06305	2.4
136.03918	6.4
137.02310	2.5
138.05470	2.6
150.05499	5.1
152.07083	9.1
155.03387	15.7
161.04434	2.4
168.06586	4.8
173.04500	10.3
176.41466	2.0
177.20950	2.0
179.03436	3.4
181.04945	2.3
187.07617	2.5
191.05522	99.5
192.05844	4.3
206.04491	2.5
209.11794	12.5
211.07596	4.1
225.07494	3.5
235.08646	2.4
247.08717	2.5
248.09489	2.5
255.06670	2.2
255.11436	2.2
263.08469	2.3
275.09283	2.9
277.09753	5.0
314.12369	2.3
328.10870	2.8
356.14059	2.5
370.11838	3.2
372.13562	3.6
373.18628	6.0
373.31662	2.0
384.13525	3.1
386.15454	4.5
390.14407	2.2
391.15576	3.4
397.13736	3.3
398.15723	2.1
402.14581	4.9
404.16037	3.8
414.14569	8.4
415.14383	1.9
417.13593	2.5
426.14435	3.6
432.15564	26.8
433.16104	3.9
443.70587	2.2
444.15659	12.4
449.14362	4.7
538.22339	3.3
551.22577	2.2
579.22522	2.7
590.21405	3.2
718.28436	4.0
731.28699	2.2
759.28735	100.0
760.29199	14.2
773.85431	2.7
791.31598	37.5
792.31598	6.4
799.30176	3.5
803.27539	22.1
817.32428	2.5
835.30396	69.8
836.31335	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	835.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	0.4
59.01249	9.3
61.13480	0.2
66.17535	0.2
68.99694	0.2
69.03323	0.6
71.01248	8.3
72.99175	0.6
73.02806	1.2
75.00723	0.3
80.02538	1.1
81.03323	1.9
83.01270	1.1
83.04887	5.2
84.02039	1.0
85.02819	2.4
87.00755	2.2
89.02316	6.9
91.18551	0.2
93.03326	0.8
95.01229	0.5
95.04904	0.5
96.95883	0.8
97.02808	1.2
97.06472	0.3
98.20548	0.6
99.00705	0.2
101.02314	6.0
109.02817	0.4
113.02331	3.6
119.03395	1.9
123.08032	0.2
125.02341	2.5
125.05979	0.6
125.09590	0.3
129.01775	0.2
131.03432	0.4
135.04454	0.4
135.08051	0.7
140.37309	0.2
142.58421	0.2
143.03419	1.6
155.34584	0.2
161.04466	1.6
163.11206	4.7
164.11504	0.2
165.12766	2.5
171.10165	0.8
173.04456	0.4
179.05588	2.0
181.12314	0.6
191.05545	3.1
191.10674	0.9
199.05896	0.3
199.13171	0.3
207.10246	0.2
209.11768	100.0
210.12096	5.1
217.07089	0.3
221.06627	0.7
227.12834	15.0
228.13187	0.7
235.08163	2.7
247.13423	0.6
251.12822	0.4
253.09277	0.9
265.14478	0.4
287.07651	0.6
305.08853	0.8
323.09766	0.6
343.54001	0.2
348.14029	0.2
379.12390	2.0
397.13474	17.3
398.13931	1.2
404.80063	0.2
415.14532	5.2
416.14801	0.5
531.25641	0.2
589.24786	0.4
607.26257	0.9
799.37476	0.7
817.39410	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	835.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	0.6
59.01246	9.1
67.01756	0.3
68.99670	0.2
69.03329	0.7
69.49982	1.4
71.01248	8.2
72.99167	0.7
73.02830	1.3
80.02550	1.1
81.03321	1.8
83.01251	1.0
83.04892	5.8
84.02036	1.1
84.05214	0.2
85.02819	2.3
87.00745	2.2
89.01749	0.3
89.02313	7.0
93.03329	1.3
95.01260	0.8
95.04906	1.0
96.95888	1.8
97.02815	1.4
98.20551	0.3
99.00751	0.6
100.05202	0.2
101.02316	6.9
107.04955	0.3
109.02838	0.4
109.06487	0.4
111.00785	0.3
111.04359	0.2
111.08038	0.2
113.02328	3.5
115.03915	0.2
119.03388	1.8
123.04412	0.3
125.02339	2.9
125.05941	0.8
125.09589	0.6
127.03931	0.3
131.03378	0.3
133.02800	0.2
135.04381	0.7
135.07993	0.7
143.03430	1.3
149.04456	0.2
155.03391	0.4
158.98694	0.2
161.04472	1.8
163.11200	4.2
165.12755	2.7
171.10170	0.7
173.04495	0.7
179.03381	0.3
179.05548	1.8
181.12230	0.7
191.05533	4.1
191.10706	1.4
192.05785	0.2
199.13258	0.5
207.10149	0.3
209.11757	100.0
210.12103	4.0
217.07155	0.3
221.06593	0.8
223.13455	0.2
225.11247	0.3
227.12825	15.3
228.13141	0.7
233.11780	0.3
235.08202	2.3
247.13326	0.7
248.24437	0.2
251.12834	0.3
253.09326	0.6
263.07755	0.3
263.69482	0.2
265.14435	0.2
270.91580	0.2
287.07718	0.5
299.15765	0.2
305.08633	1.0
323.09824	0.6
352.08014	0.3
379.12378	2.1
397.13480	16.5
398.13864	0.8
401.23282	0.2
415.14560	5.8
416.15018	0.4
486.15884	0.2
520.16583	0.2
607.25952	0.8
667.47186	0.2
799.37366	0.6
817.39508	0.4
835.38269	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	835.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	1.9
59.00948	1.9
59.01249	32.4
69.03315	4.3
71.01250	33.2
72.27849	1.1
72.99178	3.1
73.02820	10.7
76.94926	1.2
79.87556	1.1
80.96398	1.7
81.03322	1.7
83.01260	3.5
84.02074	1.3
85.02808	9.0
86.03204	1.1
86.61758	1.2
87.00747	6.8
89.02312	25.4
92.16476	1.1
95.01254	2.7
97.02841	4.6
99.00744	1.7
101.02322	24.5
101.39918	1.1
113.02319	14.5
117.42690	1.4
119.03417	7.8
123.08009	1.8
125.02359	9.2
125.05987	3.0
125.09605	6.0
127.11189	3.4
135.08044	1.7
137.09653	5.5
139.03806	1.4
141.01825	3.1
143.03419	2.6
143.10693	1.6
149.21791	1.4
151.07527	1.6
153.09184	1.5
155.10701	5.0
161.04477	3.1
166.68735	1.2
171.10185	21.0
176.20067	1.3
179.05542	6.4
181.08661	8.2
199.09685	100.0
200.10056	4.5
201.11247	3.8
217.10730	3.5
221.06607	3.7
235.08228	6.9
253.09348	2.4
255.23253	91.9
256.23645	4.4
287.07690	2.1
305.08563	1.9
323.09750	1.8
379.12323	6.3
397.13455	68.6
398.13812	3.6
415.14545	13.5
419.31891	2.7
579.22839	9.9
597.24200	7.9
636.40161	1.3
653.37531	5.9
835.47058	34.3
836.47101	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	837.282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22722	0.5
59.01242	1.6
61.98700	0.7
62.40919	0.4
67.01765	1.2
69.03303	0.7
69.21421	0.5
69.63558	2.3
71.01261	2.6
78.91754	1.7
81.03308	0.7
85.02813	4.6
87.00751	1.9
89.02326	0.9
93.03334	6.7
95.01256	0.6
96.95888	3.3
97.73269	0.4
98.19756	0.5
101.02330	0.9
104.79049	0.4
107.04908	0.6
108.02045	2.5
109.02809	2.4
111.04374	1.1
113.02364	0.6
116.48853	0.5
121.02826	2.2
122.03668	0.9
123.04388	1.0
124.01548	7.1
125.02340	3.2
126.03103	1.8
127.03893	1.2
132.02052	0.9
133.02852	1.6
134.03633	6.5
135.04407	100.0
136.04652	2.5
137.02316	2.0
145.02844	0.9
149.05954	0.5
150.03133	4.2
151.03922	11.9
155.03398	1.7
160.01576	0.8
161.02339	2.0
162.03198	0.7
163.03946	1.2
170.99367	0.4
173.04492	2.7
178.02628	0.5
179.03409	20.9
180.04230	2.3
181.04919	0.5
185.02217	0.5
189.05469	0.8
191.05527	31.6
192.05887	1.4
203.03447	0.4
209.11775	1.8
210.12151	0.8
211.13327	0.5
219.06631	0.5
243.06578	0.9
257.08151	4.2
261.04010	0.7
272.07040	0.4
273.07748	0.4
287.34396	0.5
290.07983	2.1
306.07407	0.7
307.08191	9.4
308.08997	26.0
309.09277	1.4
323.07672	1.8
327.21698	3.3
328.22092	1.2
332.37689	0.4
352.07968	35.9
353.08414	3.1
368.09573	0.5
435.09451	3.2
445.73648	0.5
449.14377	2.2
477.29953	0.5
498.15665	0.5
637.28729	0.6
657.22278	0.5
740.22040	1.9
836.76495	0.6
837.28198	5.6
837.42798	0.7
838.28528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.5
67.01755	0.8
69.03307	0.6
69.46473	1.1
71.01252	1.3
72.99157	0.2
73.02824	0.3
81.03332	0.5
83.04880	0.4
83.95856	0.1
85.02816	8.5
87.00748	2.2
89.02297	0.3
93.03326	5.4
93.96617	0.1
95.01248	0.2
97.02847	0.2
98.19766	0.2
99.00741	0.1
99.04395	0.4
101.02295	0.4
109.02859	0.8
111.04398	1.3
113.02310	0.3
118.66909	0.1
123.04411	0.1
127.03886	2.4
129.01750	0.2
132.14067	0.1
134.03682	0.2
135.04401	0.8
137.02388	0.3
143.03410	0.2
155.03384	0.5
161.02229	0.2
171.02951	0.6
172.05223	1.4
173.04459	2.5
173.05820	0.2
179.03278	0.2
183.04485	0.6
187.03955	0.5
187.07565	13.5
188.07883	0.4
191.05527	100.0
192.05878	2.5
198.06760	0.2
199.03940	1.3
200.04703	0.6
201.05353	0.2
202.06226	0.4
204.04230	0.5
211.03967	0.3
211.07555	0.2
213.09122	1.8
214.06262	0.3
215.07069	3.3
216.07426	0.2
227.03394	1.9
228.04173	1.9
229.04842	0.2
229.08617	1.1
231.06552	0.2
231.10187	0.8
232.03708	0.2
239.07016	0.2
246.05301	0.2
257.08151	14.3
258.08469	0.9
271.09882	0.2
275.09244	1.5
299.02158	0.2
315.12311	0.1
341.10355	0.3
352.08047	0.2
361.18958	0.2
449.14484	6.6
450.14966	0.4
465.15421	0.4
467.15491	0.8
657.22113	0.6
740.21930	0.2
769.90149	0.1
805.26819	0.2
837.27820	1.7
838.28760	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	837.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.8
67.01752	0.9
71.01240	1.6
71.19291	0.3
71.19629	0.3
73.02828	0.3
81.03333	0.3
83.04897	0.3
85.02818	9.8
87.00737	2.2
89.02293	0.3
93.03320	5.8
95.01254	0.5
99.04398	0.5
101.02298	0.3
107.04921	0.3
109.02834	0.8
111.04404	1.6
113.02320	0.4
119.91818	0.2
122.01289	0.2
125.02408	0.3
127.03921	2.5
135.04401	3.7
137.02342	0.4
148.85454	0.2
149.06021	0.2
151.03926	0.4
155.03371	0.5
159.04439	0.4
161.02272	0.4
171.02882	0.9
172.05222	2.2
173.04469	2.7
173.05862	0.4
179.03275	0.4
183.04410	1.0
187.07559	17.2
188.07887	0.8
191.05525	100.0
192.05878	2.8
199.03908	1.3
200.04723	0.9
201.05383	0.2
202.06313	0.3
204.04279	0.4
209.11765	0.3
211.04005	0.6
213.09198	1.7
214.06351	0.3
215.07059	3.4
216.07516	0.3
227.03452	2.4
228.04210	2.0
229.08664	1.0
231.10211	1.4
238.33391	0.2
257.08157	15.7
258.08456	0.9
275.09204	1.5
307.08148	0.3
308.09045	0.6
352.08105	1.0
449.14468	7.3
450.14816	0.7
655.98236	0.3
657.21820	0.6
699.74823	0.2
837.28162	7.5
838.28632	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	837.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	1.2
59.01242	25.4
67.01760	2.4
68.99667	1.4
69.03316	1.3
70.58003	1.9
70.58360	0.8
71.01244	14.2
71.01604	1.1
72.99179	1.2
73.02842	1.0
80.04920	1.8
81.03345	1.0
82.78215	0.8
83.01302	0.9
83.04859	0.8
85.02815	13.5
87.00751	6.4
89.02309	9.1
91.76624	0.8
93.03340	15.7
94.02855	1.3
94.03674	1.3
95.01261	1.6
96.95876	0.7
98.85831	0.8
101.02314	7.4
106.06512	4.0
108.04436	2.9
109.02839	1.9
111.04391	2.1
113.02329	5.0
118.98102	0.8
119.03395	2.5
120.08112	1.4
122.06002	5.5
123.03127	0.8
123.04378	1.0
124.03937	3.4
127.03907	2.0
132.04456	1.9
134.03668	0.9
134.06006	19.2
134.06993	1.5
135.04448	1.5
136.03926	5.0
137.04738	1.1
138.05498	3.1
147.05551	1.7
149.04590	0.8
150.05493	4.1
152.07080	4.1
155.03404	2.6
161.03505	0.9
168.06601	2.5
172.05153	0.9
173.04475	7.7
173.05884	1.5
175.05049	1.3
180.47830	0.8
185.07072	0.7
187.07524	9.8
190.05005	1.8
191.05522	92.8
192.05876	4.4
201.10287	9.0
211.08794	1.3
213.10292	3.2
215.07101	2.1
215.11964	1.3
225.10355	0.9
227.03490	1.7
227.11920	3.4
229.09801	8.8
229.13193	3.7
237.10219	0.9
239.07933	1.0
239.11874	3.7
241.09753	1.7
245.12903	1.2
255.11377	4.0
257.08182	11.8
257.12939	3.2
265.05087	1.3
265.09946	1.3
267.11279	1.1
273.12427	1.5
275.09131	2.4
278.10590	0.9
279.11377	1.0
289.11932	1.6
291.11594	1.1
295.10873	1.5
296.11392	0.8
301.11810	5.7
309.08331	0.9
309.12350	0.9
319.12973	19.5
320.13098	1.1
330.12540	1.1
337.12003	1.8
342.12485	1.4
346.11859	1.4
358.11807	1.5
372.13510	2.0
374.15204	4.4
386.15302	1.3
392.16422	2.7
398.14783	1.1
400.12894	1.7
406.17505	1.0
414.14355	0.8
416.16202	2.9
418.14084	2.3
419.14441	1.0
428.16058	1.3
432.15765	3.1
434.17191	3.1
446.17227	3.0
449.14401	6.1
460.14902	1.6
467.16006	2.4
478.16223	1.1
517.17950	1.6
639.90369	0.8
657.21515	1.2
675.18768	1.5
719.29718	1.2
740.21576	1.9
743.29163	1.1
761.30408	3.6
777.30035	1.5
784.36475	0.9
787.28619	1.9
805.29333	100.0
806.29614	20.6
837.31683	30.4
838.31836	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	841.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	42.0
61.98695	1.0
62.48682	0.7
67.22302	0.7
69.03308	0.9
71.01248	62.7
72.01590	0.9
72.99170	3.8
73.02814	13.9
75.00744	0.9
78.95753	0.7
81.03294	0.8
83.01243	7.4
85.02815	21.9
87.00764	3.8
87.01202	0.7
87.84245	0.8
88.98637	0.8
89.02310	33.0
89.78207	0.8
92.33184	0.8
93.03339	0.9
95.01265	4.6
96.83073	1.0
96.95871	3.1
97.02820	3.6
99.00755	4.9
99.07954	1.0
101.02316	40.8
102.02595	0.9
111.00755	2.2
113.02327	19.6
119.03376	12.6
125.02322	5.1
131.03360	3.0
141.09081	1.9
143.03378	3.9
159.02937	2.4
161.04466	13.9
171.10231	1.9
179.05536	9.0
191.05557	3.9
199.09630	1.3
201.11221	1.5
207.10118	1.1
209.11777	2.7
221.06575	5.2
224.29578	0.7
225.11253	1.2
253.09277	1.0
263.07599	1.7
287.28094	0.8
309.20639	3.5
323.09909	5.4
357.27798	3.3
403.14597	0.9
457.36780	2.7
619.42218	21.2
620.42102	1.9
781.47375	100.0
782.47595	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	843.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69463	8.4
59.01250	21.4
71.01250	19.1
82.76501	10.7
89.02341	9.7
100.89172	11.1
101.02319	12.2
135.20236	9.9
135.68517	9.7
158.66084	9.6
161.04468	11.6
171.08916	12.1
171.10196	100.0
255.23245	50.1
321.93646	9.8
379.12622	18.4
397.13397	48.8
415.14508	14.1
653.36871	16.3
757.27783	10.8
781.63477	12.2
843.44995	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	39.0
61.98677	1.3
68.15167	1.4
69.03329	1.6
71.01250	60.5
71.58800	1.7
72.99168	4.6
73.02818	13.4
75.00771	2.2
83.01242	7.0
85.02814	22.6
87.00726	4.4
89.02304	25.0
93.03329	3.5
95.01252	5.2
96.95878	7.5
97.02818	2.4
99.00749	5.4
101.02317	40.7
102.02631	1.3
111.04430	1.9
113.02329	20.8
119.03396	8.5
120.39057	1.4
125.02306	4.6
131.03418	1.9
135.04373	2.1
137.02423	1.5
143.03423	2.8
159.02913	3.3
161.04456	8.1
171.10118	2.0
173.04387	2.7
179.05554	7.1
191.05505	13.3
209.11795	1.8
221.06552	4.1
223.13286	5.5
224.13605	2.9
323.09775	5.8
359.29471	1.9
505.92450	1.7
529.96991	1.5
621.43622	17.9
622.43610	1.6
783.48932	100.0
784.49042	16.0
839.86780	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	847.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.0
69.03302	0.6
70.92973	1.3
71.01247	2.2
71.60522	0.6
73.02812	2.3
75.00745	1.6
78.95771	0.7
85.02821	1.7
85.46073	0.5
87.00763	1.0
87.04367	3.0
89.02323	1.3
93.03352	1.4
95.04885	1.3
96.95869	2.0
97.06463	4.7
99.00687	0.7
99.04383	1.4
101.02287	0.7
111.04389	0.8
113.05968	1.2
121.06481	0.7
122.82811	0.6
123.04430	0.6
123.08044	1.2
125.09611	7.2
127.11160	0.7
135.04391	0.9
137.09654	0.8
139.07539	5.0
149.06004	1.3
150.06757	53.7
151.07295	1.0
153.09174	0.6
155.10629	1.3
157.08611	8.9
161.09602	0.9
163.07547	14.1
164.08333	5.1
171.10201	1.7
173.04440	0.9
177.09039	0.8
178.09915	3.0
179.10683	29.2
180.11081	1.0
183.10223	0.8
191.05530	7.2
199.09752	1.4
201.11243	97.1
202.11571	3.5
223.09671	4.0
320.19781	3.4
321.20667	6.2
332.20209	0.9
350.21042	11.0
351.21375	1.0
361.18655	1.0
364.22522	31.9
365.23254	100.0
366.23636	8.6
483.26007	5.0
484.26617	0.9
505.31311	0.8
527.28577	80.9
528.28754	8.9
595.60370	0.6
685.38318	1.6
689.34491	0.7
847.43341	25.6
848.28668	0.9
848.43292	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	847.488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	0.8
63.96109	1.0
69.03330	0.9
70.24352	3.8
70.52100	0.8
71.01252	9.9
73.02812	1.8
75.50870	0.9
78.98458	6.6
79.95605	18.5
80.96387	100.0
81.03306	1.1
82.95966	1.1
85.02818	4.4
86.38567	0.8
87.00749	3.6
94.97954	20.8
96.95899	1.6
97.02818	2.3
99.00739	1.1
101.02296	3.6
106.97957	3.7
122.97467	4.7
125.02305	4.0
125.46374	0.9
127.03895	1.1
134.97488	7.3
136.99010	2.2
138.58525	0.9
148.99051	8.3
152.98541	8.8
158.94556	0.8
164.98537	19.3
176.34341	0.9
181.15495	1.0
206.99675	4.7
225.00687	27.8
255.23245	3.1
283.04688	1.1
331.18057	0.9
537.27216	1.7
591.24786	2.5
600.12970	1.2
751.84949	1.1
847.48694	90.2
848.49054	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	849.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	25.0
67.01756	1.4
68.99694	2.6
69.03332	3.2
69.90902	7.4
71.01252	23.3
72.99181	4.5
73.02808	4.1
80.02563	1.9
81.03326	4.7
83.01254	3.0
83.04894	12.5
84.02032	1.9
85.02818	10.9
87.00727	7.3
88.98685	1.9
89.02319	17.1
93.03338	10.8
95.01274	3.9
96.95872	8.4
97.02819	4.8
97.06507	1.5
99.00755	3.5
101.02319	17.1
109.02832	2.3
109.06486	3.0
111.04413	5.0
113.02326	9.6
115.00229	1.8
119.03407	3.0
123.04422	1.4
125.02307	4.7
125.05984	2.3
125.09614	1.3
127.03852	1.4
134.03654	3.1
135.04391	4.9
135.08014	1.6
137.02315	2.0
143.03355	1.7
150.03131	1.5
151.11192	1.5
155.03386	4.0
161.04420	3.3
161.09579	2.6
162.83322	1.2
163.11166	7.4
165.05524	2.3
165.12720	4.1
169.12234	16.1
171.10170	7.5
173.04483	5.5
179.05556	2.3
179.10681	3.3
181.12428	1.6
187.07573	2.2
191.05524	46.4
191.10608	1.7
192.06030	2.3
195.06563	1.8
197.11751	36.5
198.12238	1.9
200.35849	1.5
205.08566	3.0
207.10182	3.5
209.11758	91.1
210.12105	2.6
221.06577	2.4
223.09721	8.7
225.11261	3.7
227.12825	12.9
235.08185	2.7
286.81406	1.4
362.59381	1.6
397.13480	11.1
415.14413	4.8
446.07712	1.7
449.14447	3.7
585.11798	1.6
607.26227	1.6
621.23529	1.9
647.28497	1.5
747.04083	1.6
831.36401	2.6
849.37628	100.0
850.38123	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.0
61.10819	0.7
68.99679	1.0
69.03329	6.4
71.00883	1.6
71.01256	21.5
71.04889	2.0
71.59479	1.0
72.99194	1.4
73.02818	3.2
76.33351	0.9
80.02560	1.7
81.03334	2.9
83.01275	1.5
83.04905	7.0
84.02056	1.1
85.02813	5.6
87.00753	5.1
89.02323	12.0
93.03326	6.0
95.01279	1.1
95.04874	0.9
96.95891	3.0
97.02813	2.6
97.06448	1.6
99.00770	2.0
101.02324	12.8
109.02851	0.8
109.64323	0.8
111.04404	1.7
113.02328	4.6
116.92769	1.2
117.61471	0.8
119.03363	2.0
123.08035	1.0
125.02324	2.7
125.09609	3.0
127.03813	1.0
135.04352	2.2
135.08011	1.5
137.02287	1.3
137.09552	0.8
151.11172	3.2
153.12723	1.3
155.03372	1.9
161.04420	1.3
161.09615	3.9
163.11125	5.0
165.12743	2.9
171.10162	3.3
173.04422	2.7
179.05518	1.6
179.10724	5.6
181.12282	1.0
191.05534	18.5
197.11757	63.7
198.12144	1.7
207.10204	2.8
209.11768	54.5
210.12125	2.7
221.06580	2.3
223.09654	2.4
225.11279	2.9
227.12860	3.6
241.10786	4.0
243.12172	1.0
379.12106	1.0
397.13367	4.0
415.14523	1.8
449.14560	1.3
615.20496	0.9
639.24609	1.2
689.07629	0.9
831.36737	3.0
849.37561	100.0
850.38062	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	849.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.9
65.38454	0.6
69.03297	1.6
70.16155	2.4
71.01250	18.4
72.99173	1.6
73.02809	2.7
81.03321	0.8
83.01255	1.9
83.04871	1.1
85.02840	3.8
86.62601	0.7
87.00755	2.6
87.11572	0.8
89.02315	9.8
95.01254	1.4
95.04891	2.2
97.02800	2.9
97.06467	4.9
98.20439	0.9
99.00720	1.1
101.02318	10.9
113.02319	5.7
119.03380	2.3
125.02321	3.5
133.10217	1.0
143.03404	0.7
151.11182	13.9
161.04451	1.1
169.12247	43.7
170.12651	1.6
175.42018	0.6
179.05452	0.8
188.66949	0.6
195.10236	0.9
213.11246	7.7
221.06526	1.6
235.08235	1.3
241.58745	0.7
255.23245	52.3
256.23666	3.2
313.17999	0.6
387.13620	0.7
397.13470	3.1
593.24207	1.2
611.25299	1.1
625.75342	0.8
849.48480	100.0
850.48712	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	853.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26175	0.2
66.75330	0.2
67.01742	0.5
69.43575	1.8
71.01239	0.8
80.04919	0.2
81.03336	0.2
82.15081	0.2
83.01261	0.4
83.04891	0.6
85.02817	0.7
87.00725	0.6
89.02303	0.7
93.03336	1.9
94.02850	1.8
95.04881	0.4
96.95904	0.3
98.02326	0.5
101.02293	0.5
102.05568	0.2
106.02891	0.2
107.04866	0.4
108.04434	2.1
113.02306	0.3
120.04424	0.8
121.05180	0.2
122.06004	7.9
123.04458	0.3
124.03928	1.2
125.02288	0.3
127.78843	0.2
133.03952	0.3
134.03604	0.3
134.06027	2.1
135.06781	0.4
136.03941	3.7
136.07571	8.4
137.04691	0.3
138.05498	1.7
146.06038	0.4
148.03938	0.6
150.05504	8.1
151.05878	0.3
152.07050	1.4
155.03459	0.3
158.02391	0.8
158.06076	0.4
159.11713	0.3
160.07492	0.2
162.05542	0.3
163.08675	0.3
173.04402	1.1
174.09137	0.9
175.05029	0.5
176.03435	0.6
177.85805	0.2
179.03391	0.2
184.07687	0.2
185.09569	0.3
186.04259	0.4
186.09163	2.7
187.11223	0.7
188.10800	0.5
189.06721	0.3
190.05048	2.3
191.05536	6.1
200.05814	0.5
200.10738	0.3
201.06487	2.2
202.07161	1.8
202.08751	0.8
202.12303	1.8
212.10760	1.4
213.06422	0.4
214.07367	1.0
215.08130	2.3
216.08931	0.6
217.09921	0.3
226.07379	0.2
228.10274	2.7
229.09781	12.2
230.12033	6.7
231.11693	0.8
240.08968	1.0
241.09785	0.3
243.07747	0.5
243.11227	0.5
244.08513	0.7
245.09270	4.0
245.12943	0.8
246.11482	0.3
247.16930	0.3
255.11331	3.2
257.09305	5.6
258.10056	1.3
259.10812	0.5
273.12430	18.6
274.10297	0.3
274.12799	0.9
275.10303	2.0
291.13339	0.3
299.10330	0.7
317.11398	13.5
318.11685	1.1
334.11688	1.1
335.12457	100.0
336.12769	7.3
337.12027	0.4
424.49683	0.3
449.14261	0.4
455.94650	0.2
465.80603	0.2
467.15591	2.7
468.15881	0.2
517.18219	10.6
518.18683	1.2
582.30896	0.3
626.23749	0.3
717.27698	0.4
749.30023	0.6
761.26904	0.3
763.27802	0.2
793.29504	1.0
821.29108	0.4
853.31232	1.2
854.31543	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	855.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	0.1
69.25367	0.1
71.01247	0.2
71.58818	0.2
73.67185	0.1
78.95768	1.0
79.95601	3.3
85.02812	0.2
85.49069	0.1
93.03336	0.3
95.01227	0.1
96.95882	100.0
97.95810	0.2
98.02337	0.1
101.02306	0.2
103.87755	0.1
135.04379	0.2
135.38739	0.1
137.02347	0.2
155.03394	0.3
191.05530	1.2
209.11748	0.2
233.07138	0.1
308.08676	0.1
327.21677	0.6
352.07950	0.1
355.99384	0.1
369.72217	0.1
370.34988	0.1
394.49713	0.1
399.91254	0.1
806.01111	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	855.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	2.7
68.99683	3.2
69.03334	2.2
69.50198	10.6
69.50602	5.3
71.01241	7.7
77.36272	1.7
77.76563	1.8
85.02830	9.5
87.00748	8.4
89.02304	5.9
91.88444	2.1
93.03342	12.1
95.18919	2.0
96.95828	2.5
98.20519	3.4
99.55202	2.9
101.02319	5.9
110.05991	3.0
111.04404	2.8
113.02309	2.4
113.91795	2.0
118.61723	2.1
122.05993	16.3
134.06021	20.6
135.06754	3.7
136.07571	7.3
138.05522	2.4
140.07060	25.9
149.04681	8.6
150.05501	3.4
152.07059	4.2
161.04710	4.3
162.05472	20.9
164.03459	5.8
164.07066	11.4
166.05022	4.6
169.62358	2.1
172.03946	2.3
173.04509	6.2
174.05524	3.5
176.06958	2.7
184.11237	2.1
187.07503	3.9
191.05530	80.2
192.05867	4.3
204.06551	4.7
211.08751	3.6
212.05812	6.8
212.09354	3.2
224.09361	3.5
225.06648	4.6
225.10271	5.2
227.11763	4.3
229.09760	5.1
237.08127	2.6
237.10237	6.9
238.07346	4.6
239.08218	14.2
239.11835	2.4
240.09004	4.6
243.12163	2.8
251.08136	3.7
251.11967	2.7
252.09032	6.7
252.12556	2.5
253.06218	14.9
253.09790	21.7
255.11279	10.5
257.09311	9.7
259.10919	2.2
261.12399	14.4
265.06058	3.8
266.06842	6.2
267.07840	15.2
267.11200	12.9
268.08545	6.0
268.12155	7.4
270.09998	3.2
273.12329	4.1
277.09689	2.2
279.07803	14.1
279.10727	3.2
280.08521	29.0
281.09244	27.0
282.09805	2.5
283.10916	7.8
284.07977	2.5
285.09402	4.0
285.12338	19.1
295.10837	100.0
296.11520	24.4
297.12296	16.0
299.10300	6.5
300.11075	3.7
301.11960	3.5
303.13474	65.8
304.13766	5.6
311.10394	2.9
313.11987	4.0
327.13458	23.9
328.10501	3.0
339.09760	19.4
340.10394	2.8
341.11249	4.9
371.12411	20.7
372.12708	3.7
390.14313	3.0
404.16168	6.3
406.13898	4.4
420.15552	3.1
434.17349	3.5
435.17773	2.9
449.14474	7.1
463.17099	2.7
465.18756	11.9
467.15579	3.0
479.16644	2.8
483.19958	6.1
511.19263	3.6
557.24396	4.5
601.23010	26.9
602.22662	3.2
633.25458	25.0
634.25757	4.5
761.30432	4.3
779.30750	4.0
805.29163	41.7
806.29303	7.0
823.30353	67.7
824.30383	10.2
837.31433	29.0
838.31598	5.7
855.32996	26.3
856.32428	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	855.344
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02271	0.8
65.00193	1.4
71.59275	1.3
71.59641	0.7
83.01298	0.9
93.03327	0.8
94.18066	0.5
96.95909	3.3
106.35712	0.7
107.01290	2.4
108.02070	1.9
121.02896	1.2
127.00009	0.6
135.00797	0.7
148.01595	1.3
151.00253	5.1
163.00281	0.9
164.01067	0.7
178.99797	3.5
187.03873	0.8
191.05447	1.2
195.89476	0.6
211.03969	0.8
215.03491	0.8
216.04337	0.9
221.81857	0.7
226.02682	1.5
227.03481	3.4
236.37164	0.7
238.65607	0.7
239.45082	0.6
243.02960	12.3
244.03407	0.6
254.02151	2.2
255.02957	28.9
256.03348	1.6
271.02466	63.4
272.03018	4.0
299.01874	2.4
300.02734	100.0
301.03418	11.4
309.20654	0.7
319.47482	0.7
595.12878	2.7
635.65515	0.7
853.81390	0.8
855.34326	39.6
856.34570	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	857.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95423	0.7
60.15283	0.7
68.99666	0.9
69.03319	3.4
69.32587	6.9
69.32994	1.4
71.01254	63.2
72.99174	3.8
73.02823	16.5
74.80245	0.8
81.03335	0.9
83.01250	7.7
83.04898	0.9
85.02820	22.5
87.00743	4.1
89.02316	23.4
92.08937	0.8
93.03317	2.5
95.01280	4.7
95.78980	0.9
96.95900	7.8
97.02853	4.1
97.06460	1.0
99.00763	7.1
101.02322	47.6
111.00726	3.9
111.04375	1.0
113.02332	18.3
116.92709	2.3
119.03379	10.0
125.02345	7.9
131.03386	1.9
135.04364	1.4
141.01808	1.6
143.03369	4.7
145.04970	1.1
151.19513	0.9
155.03429	1.5
159.02896	3.1
161.04456	14.6
171.10219	1.2
173.04457	2.6
179.05540	10.8
191.05522	8.4
197.11763	0.8
209.11693	2.3
221.06581	3.3
233.06560	1.4
245.06601	2.4
263.07703	3.7
271.90253	0.9
305.08856	1.1
309.20709	1.4
316.37299	0.8
323.09814	5.6
414.61465	0.9
473.35947	1.2
487.97931	0.9
524.86768	0.8
557.96509	0.9
566.75409	1.1
582.29303	0.8
635.41571	21.2
636.41815	3.5
651.29779	1.0
769.47656	1.0
797.46899	100.0
798.47015	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	859.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	2.1
65.13120	1.2
68.99684	1.5
69.03313	2.3
70.02317	2.1
70.02719	4.2
71.01248	67.5
71.89314	1.1
72.99162	2.9
73.02812	12.3
75.00768	1.7
83.01270	6.3
85.02814	20.6
87.00744	5.9
89.02310	31.3
90.02634	1.2
93.03339	5.0
95.01267	3.6
96.95888	7.8
97.02837	2.8
98.19835	1.1
99.00774	4.1
101.02312	46.1
101.64140	1.3
111.00758	2.1
113.02311	24.6
119.03378	12.1
125.02341	5.0
129.01727	1.3
131.03423	3.0
135.04427	2.5
143.03398	3.6
143.70477	1.2
155.03487	1.6
159.02979	2.2
161.04442	13.1
171.10176	3.8
173.04453	3.3
179.05490	9.1
191.05542	16.6
193.34099	1.2
209.11757	4.8
215.07391	1.7
221.06598	5.4
263.07751	1.3
323.09979	2.8
418.79861	1.2
475.37646	3.6
527.25696	1.5
540.00153	1.3
637.43243	22.3
638.43536	3.1
799.48450	100.0
800.48688	15.3
808.16052	1.5
847.42474	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	861.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99694	0.7
69.03326	2.9
69.89367	2.5
69.89785	1.2
71.01250	25.2
72.99178	1.9
73.02814	5.7
80.02501	0.7
81.03332	2.4
82.45464	0.6
83.01242	2.4
83.04903	2.1
85.02820	7.4
87.00755	5.2
87.01233	1.0
89.02308	21.0
93.03311	0.7
95.01279	3.0
95.04906	3.4
97.02823	6.2
97.06430	0.8
99.00754	1.8
99.04378	1.0
101.01686	1.4
101.02316	19.7
109.02821	0.9
109.06466	12.2
110.03611	2.7
111.04408	1.5
113.02321	9.4
119.03392	5.9
121.06435	0.8
123.04369	0.9
123.08121	1.0
125.02328	7.0
125.09597	0.7
128.60719	0.6
131.03416	0.9
135.08049	1.8
138.87271	0.6
139.03856	0.6
141.01854	1.0
142.02553	0.9
143.03395	3.1
145.10088	0.8
149.04510	0.7
151.07562	0.8
151.11160	0.9
153.12764	1.1
161.04407	3.7
161.09592	1.8
163.11179	10.0
169.12193	1.2
174.83984	0.7
179.05504	4.8
179.10640	2.0
181.12236	2.4
189.09143	4.8
197.11824	1.2
207.10188	36.7
208.10573	0.8
209.11722	2.9
217.07050	0.9
221.06674	2.1
225.11259	100.0
226.11531	3.9
235.08163	4.6
253.09183	0.8
255.23250	63.1
256.23587	3.7
263.07629	1.1
287.07849	1.6
305.08835	1.8
323.09787	1.4
379.12375	2.9
397.13464	53.6
398.13831	3.5
415.14462	10.2
449.72055	0.7
506.36859	0.8
605.24469	8.7
606.25201	1.3
623.25830	6.1
630.89911	0.8
653.37531	1.7
861.48474	26.7
862.48730	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	861.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
68.25065	0.8
69.03315	2.1
71.01251	23.1
72.99181	2.3
73.02808	4.2
80.18382	1.0
80.96389	2.0
81.03332	2.5
83.01243	2.2
83.04883	2.7
85.02818	6.4
87.00735	6.0
88.63625	0.7
89.02312	19.8
95.01250	2.3
97.02824	12.6
98.19769	1.9
99.00739	3.9
101.01694	1.1
101.02321	17.2
109.06469	29.4
110.03548	0.8
111.04423	1.5
113.02321	10.4
119.03378	5.9
119.68951	0.8
121.06486	2.2
125.02321	8.9
135.08035	4.0
136.05214	2.1
139.03844	0.8
141.01796	1.5
142.02594	2.3
143.03392	3.0
152.22449	0.8
161.04434	3.7
161.09630	1.2
163.11185	16.7
172.91415	0.9
179.05595	5.3
179.10692	1.2
181.12234	3.0
189.09116	2.6
207.10187	100.0
208.10454	4.2
209.11795	2.7
221.06596	1.6
225.11259	35.0
226.11447	1.2
235.08162	7.1
243.12398	1.5
255.23250	74.9
256.23575	4.1
287.07755	2.6
299.15027	1.0
305.08707	3.4
323.09692	1.5
342.53397	0.9
379.12363	6.5
380.36530	1.1
384.08325	0.9
397.13452	54.8
398.13931	2.3
415.14569	11.9
582.90558	0.9
587.23413	1.1
589.82605	0.9
605.24695	5.2
623.25488	3.5
635.37543	1.1
653.37579	2.6
843.47699	2.0
861.48376	46.8
862.48987	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	861.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	2.7
71.01250	31.5
71.36168	1.4
72.99181	2.6
73.02822	5.3
80.02541	1.6
81.03333	4.0
83.01263	2.8
83.04896	3.0
85.02818	9.1
87.00748	7.7
89.02313	25.4
93.03326	0.9
93.39941	0.6
95.01257	3.1
95.04892	1.9
97.02829	13.8
99.00776	4.0
99.04433	0.9
101.02312	21.5
107.04944	1.3
109.06468	29.9
110.03611	1.4
110.06798	0.8
111.04411	2.1
112.89860	0.7
113.02337	12.7
119.03390	5.4
121.06487	2.2
123.04372	1.3
125.02335	10.0
125.09595	1.3
131.03384	1.3
135.08034	4.8
136.05266	1.5
139.03993	1.0
141.01808	1.5
142.02580	2.3
143.03438	3.3
145.04942	0.7
145.10147	1.0
149.04387	0.8
161.04405	4.1
161.09619	2.1
163.11189	17.7
164.11528	0.9
179.05557	6.1
179.10651	1.4
179.74298	0.8
181.12245	3.8
189.09113	2.8
199.09631	0.9
207.10190	100.0
208.10474	4.1
208.28662	0.7
209.11700	4.0
213.93127	0.7
217.07098	1.3
221.06581	2.7
225.11259	57.7
226.11577	2.1
235.06001	1.1
235.08180	8.3
249.11279	0.7
253.09148	1.6
255.23264	90.5
256.23569	5.3
262.07690	0.7
263.07709	1.1
269.24826	1.3
287.07651	2.5
299.14847	0.8
305.08774	2.7
323.09583	1.1
379.12411	8.7
397.13470	69.3
398.13705	2.4
415.14493	14.5
443.19244	0.8
578.82953	0.7
587.23126	1.1
605.24426	7.8
623.25879	5.8
653.37396	3.3
671.12415	1.1
681.42645	0.9
813.27869	0.9
843.47083	1.4
861.48419	58.0
862.48993	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	863.282
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	7.5
68.99686	13.1
69.03326	27.5
69.03693	2.1
69.38654	1.7
69.39053	6.8
71.01250	42.2
72.99178	4.3
73.02819	1.6
77.86716	1.0
83.01262	1.9
85.02818	9.0
87.00746	2.5
89.02312	55.7
93.03345	3.3
95.01263	4.0
95.04898	29.0
96.95892	1.0
98.20666	1.8
99.00748	1.6
99.04364	2.1
101.02319	42.3
108.02060	1.7
111.00764	18.6
111.04394	1.3
113.02328	18.9
119.03382	23.9
119.04884	3.3
121.02842	100.0
121.06474	3.7
122.03175	2.4
123.04415	18.1
125.02361	1.7
127.03904	9.8
131.03387	2.8
133.74477	1.0
134.06036	1.1
137.05968	2.6
139.00278	18.4
139.03917	1.6
143.03398	5.1
146.03659	0.9
147.04388	8.2
149.02364	4.8
149.04437	2.0
151.03931	2.3
153.05391	1.4
161.04474	9.7
163.03923	1.7
165.05475	15.6
179.05571	49.4
179.07074	9.8
181.04996	5.0
191.03401	4.9
191.05548	2.8
195.94196	0.9
196.88580	1.0
209.04385	2.3
211.07059	1.0
223.06070	43.6
224.06436	1.9
241.06947	1.3
253.57112	1.0
280.08203	2.0
285.19568	1.0
301.09183	1.2
333.08218	2.5
336.28494	1.0
371.09821	39.9
372.10162	2.9
403.12436	36.3
404.12790	3.7
589.43103	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	863.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87157	0.3
69.03328	0.9
71.01252	16.6
72.81796	0.4
72.99178	1.1
73.02811	2.9
80.02542	1.2
81.03329	1.8
83.01268	1.5
83.04893	5.1
84.02048	1.0
85.02819	3.9
87.00749	4.6
89.02309	14.3
95.01269	1.0
95.04914	0.7
97.02817	3.2
99.00763	1.0
101.02319	11.9
109.06516	0.5
111.00777	0.4
113.02326	7.2
119.03403	3.2
123.17215	0.3
125.02335	5.1
125.05962	0.6
131.03395	0.4
133.05011	0.4
135.08121	0.4
139.03891	0.8
140.03389	0.3
140.67462	0.3
141.01819	0.3
143.03406	2.5
145.04916	0.5
147.11635	0.4
149.04446	0.7
161.04459	3.1
163.11198	3.3
165.12776	2.6
179.05554	3.3
181.12263	0.5
191.10716	1.1
199.06161	0.5
207.10135	0.4
209.11761	100.0
210.12068	5.2
217.07147	0.8
221.06659	1.1
227.12839	12.5
228.13188	0.5
235.08174	5.5
253.09273	0.8
255.23264	54.3
256.23685	3.6
259.08194	0.5
263.07614	0.3
269.24774	0.7
287.07672	1.8
297.24277	0.4
302.52664	0.3
305.08722	2.0
323.09885	0.9
338.23758	0.3
379.12390	7.5
380.12775	0.4
397.13480	37.4
398.13913	2.8
415.14560	8.1
416.14896	0.7
589.24835	0.6
607.25928	0.5
635.36926	0.5
653.37531	1.3
790.22052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81274	0.2
68.99672	0.2
69.03325	1.0
69.60619	1.4
71.01250	17.2
71.04886	0.3
72.01565	0.2
72.99184	1.4
73.02810	2.6
77.79636	0.2
80.02549	0.9
80.96397	0.5
81.03313	2.0
82.65450	0.2
83.01251	2.2
83.04888	4.2
84.02033	0.6
85.02814	3.4
87.00748	3.9
87.04352	0.2
89.02312	14.5
90.02644	0.3
91.03894	0.3
93.03349	0.3
95.01270	1.3
95.04890	0.9
97.02830	2.3
98.88857	0.2
99.00766	0.8
101.02318	12.3
102.02661	0.3
106.47366	0.3
109.02817	0.5
111.00733	0.5
111.04412	0.4
113.02320	7.9
115.03919	0.4
119.03384	3.9
123.04397	0.3
125.02328	6.3
125.05981	0.5
127.03869	0.4
131.03412	0.6
133.04967	0.3
135.08046	0.7
139.03864	0.7
143.03406	2.7
145.04871	0.3
149.04437	0.5
161.04439	3.1
163.11192	3.7
165.12753	2.0
167.03320	0.4
179.05508	4.1
181.12259	0.4
191.10718	0.9
199.05930	0.5
209.11757	100.0
210.10292	0.5
210.12108	5.4
217.07156	1.1
221.06660	1.3
227.12828	13.9
228.13133	0.4
235.05792	0.4
235.08162	5.6
253.09270	0.7
255.23251	57.1
256.23578	4.2
259.08090	0.3
263.07706	0.5
269.24802	0.8
287.07727	1.8
293.75729	0.3
305.08807	2.4
306.09103	0.3
323.09821	1.0
361.11670	0.3
379.12442	8.3
380.12735	0.6
397.13467	41.0
398.13846	2.6
415.14496	8.5
416.14883	0.5
589.24854	0.6
607.25708	0.7
635.36243	0.4
653.37860	1.5
863.48529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	3.6
69.86951	2.5
71.01262	26.1
71.59248	3.3
73.02808	3.5
73.13554	2.4
75.00727	5.1
80.96401	14.4
83.01231	4.0
83.04880	4.9
85.02827	7.1
87.00745	8.3
89.02302	21.0
94.97976	2.9
97.02802	4.4
97.06474	2.7
101.02322	14.0
113.02346	7.2
119.03342	3.3
125.02325	3.8
139.11234	3.0
143.03448	3.1
163.11162	4.2
185.11742	37.1
209.11806	29.1
210.12126	16.7
211.12279	3.7
222.06737	2.5
225.00661	6.6
227.12833	5.2
228.13217	3.9
235.08110	3.3
255.20648	5.6
255.23262	78.8
256.23621	14.9
259.50119	2.8
299.04291	14.1
322.16879	3.1
397.13470	14.1
398.13681	7.6
399.13876	6.6
470.09814	2.7
783.41510	14.7
827.97040	2.7
835.80786	3.2
865.48090	100.0
866.47791	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	867.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99170	5.0
65.03821	0.5
67.01758	12.2
69.03321	3.7
69.14809	0.3
71.01248	7.5
71.58619	0.7
73.02808	0.6
73.80450	0.3
81.03316	2.6
83.01235	0.5
83.04881	2.1
83.39662	0.3
85.02824	1.9
87.00746	17.2
89.02309	0.4
93.03329	90.6
94.03645	2.1
96.95870	1.0
97.02802	0.8
97.06448	0.4
99.00736	2.3
99.04410	1.6
101.02323	1.5
105.03308	0.8
108.02043	0.4
109.02831	1.5
109.06466	1.7
111.04396	12.0
113.02335	1.9
115.03898	0.7
116.01369	0.3
129.01831	1.5
132.01976	0.3
133.02859	2.6
134.03633	6.2
135.04404	5.0
137.02345	1.3
143.03413	1.0
150.03119	0.4
151.03889	0.7
155.03398	2.7
161.02309	1.0
162.03136	1.9
163.11194	1.1
169.12254	0.5
171.10161	0.8
173.04459	44.5
174.04794	1.2
177.01790	0.4
178.02538	0.5
179.03416	0.9
189.80626	0.4
191.05531	14.3
192.05850	0.8
194.69662	0.3
201.11353	0.3
207.10199	4.2
209.11787	1.5
225.11290	2.4
227.12883	0.7
231.10217	4.6
237.51904	0.3
250.58333	0.3
253.09328	0.9
257.08160	0.7
262.81381	0.3
275.09201	5.1
307.33276	0.3
308.08920	0.7
344.06671	0.3
351.07251	1.0
352.07883	1.2
365.11343	0.3
449.14481	100.0
450.14822	8.9
462.21252	0.4
814.87628	0.4
845.48151	0.4
867.38843	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	867.401
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99175	4.6
65.03823	0.4
67.01756	11.6
68.99686	0.4
69.03324	3.6
69.27871	3.4
71.01247	6.5
73.02811	0.7
76.80624	0.3
78.95775	0.4
81.03335	2.5
83.04885	1.8
84.23992	0.3
85.02820	2.4
86.21471	0.3
87.00744	16.9
89.02310	1.1
93.03330	85.7
94.03664	2.2
95.04885	0.4
96.95885	0.5
99.00755	1.7
99.04393	1.0
101.02328	1.2
105.03319	0.6
107.57726	0.3
109.02834	1.4
109.06464	1.2
111.04395	12.0
113.02330	1.9
115.03915	1.0
117.03373	0.4
123.04346	0.6
125.02263	0.6
127.03916	0.8
129.01817	2.3
133.02829	3.1
134.03638	5.8
135.04419	4.0
137.02309	0.9
143.03383	0.9
151.03882	0.7
155.03397	3.7
156.79503	0.3
160.01559	0.4
161.02330	0.8
162.03143	2.6
163.11183	0.9
171.10126	0.8
173.04465	39.1
174.04759	1.1
176.01154	0.5
177.01828	0.7
179.03444	1.0
187.07469	0.8
191.05527	13.3
192.05891	0.6
193.08600	0.4
201.11246	0.7
207.10188	2.6
209.11749	2.4
225.11290	1.5
231.10226	3.3
253.09135	0.6
257.08246	0.4
275.09250	7.9
276.09668	0.5
291.61365	0.4
301.29315	0.3
308.09100	0.4
351.07343	0.5
352.07928	0.6
353.08371	0.4
358.08737	0.4
449.14474	100.0
450.14734	8.4
461.20850	0.5
669.04230	0.4
867.39136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03299	0.7
71.01250	17.2
72.99189	1.9
73.02817	3.3
75.00745	0.6
79.95563	0.5
80.96372	2.0
81.03328	0.8
83.01259	2.0
85.02810	4.0
87.00747	4.9
89.02312	14.9
91.23688	0.5
95.01284	0.9
96.99146	0.5
97.02822	3.3
98.20515	1.6
101.02316	13.0
113.02322	7.9
119.03381	4.6
125.02337	6.7
125.09647	0.6
127.11153	1.3
131.03365	0.7
139.03899	1.0
143.03410	2.8
161.04437	3.5
164.98521	0.9
171.10173	100.0
172.10489	2.7
179.05460	3.6
215.18610	0.5
217.07080	0.9
225.00938	0.7
229.42001	0.7
235.08119	5.2
253.09146	0.9
255.23262	69.9
256.23615	4.3
259.08115	0.5
287.07825	1.9
305.08762	2.3
323.09811	1.1
379.12433	19.7
380.12854	1.2
397.13480	43.0
398.13846	2.4
415.14600	7.4
551.23242	3.8
569.24567	2.2
635.36206	2.2
653.37537	5.1
867.49677	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	867.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	3.2
69.03330	1.6
70.38806	4.6
71.01244	20.8
72.99178	2.1
73.02836	2.0
79.95609	26.3
80.96387	18.6
83.01252	1.9
85.02837	5.5
87.00751	4.6
89.02313	17.6
94.97949	4.1
97.02828	4.0
98.19878	1.9
99.00799	1.4
101.02306	14.1
113.02332	5.7
119.03399	4.5
125.02345	4.6
125.09531	1.6
127.11188	1.4
136.58582	1.5
136.99016	2.0
143.03444	1.7
148.99039	1.7
151.11172	4.0
152.98550	2.0
161.04523	2.5
164.98529	4.0
169.12248	24.8
171.10176	61.7
172.10529	1.7
179.05557	2.4
191.05602	1.6
213.11234	2.0
225.00671	5.9
235.08276	3.2
255.23277	68.4
256.23721	3.6
266.03192	1.8
269.19257	2.0
379.12463	3.6
397.13290	11.8
415.14853	2.2
425.14706	1.9
438.13092	2.0
764.40027	6.1
766.40405	2.2
782.40253	2.5
849.47272	2.3
867.49567	100.0
868.49957	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	873.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01747	1.7
69.03326	1.8
71.01251	98.8
72.99169	7.3
73.02821	18.9
75.19720	1.4
77.42662	1.6
80.96377	1.5
81.03325	3.5
82.04668	1.8
83.01260	8.0
84.42293	1.8
85.02826	29.9
87.00747	12.9
89.02314	100.0
90.02691	1.5
93.03352	5.4
95.01290	9.8
96.95889	14.2
97.02839	3.5
99.00758	7.0
101.02319	74.8
109.02828	2.2
111.00770	3.0
111.04391	1.7
113.02331	34.9
116.92667	2.1
119.03391	32.1
125.02316	6.2
131.03413	7.9
135.04451	2.1
137.02342	3.0
141.01692	2.2
143.03371	8.9
147.04462	2.0
149.04478	1.8
155.03351	4.3
159.02827	2.4
161.04462	24.3
171.10211	2.0
173.04504	6.0
179.05527	72.7
191.05562	28.6
209.11772	5.6
221.06586	19.5
245.06619	2.5
277.93881	1.9
305.08939	3.2
323.09781	10.2
329.23245	6.8
341.10870	3.0
466.29391	1.8
524.28662	1.8
651.41278	6.1
783.45538	6.2
795.45264	14.3
813.46436	88.8
814.46326	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	877.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94115	0.5
67.01772	0.6
69.03320	5.7
70.92690	1.2
71.01248	16.4
71.04880	1.6
72.99164	1.6
73.02819	2.7
80.36765	0.5
83.01250	2.0
85.02822	5.0
87.00765	2.5
87.01204	0.4
89.02312	11.4
95.01208	0.7
97.02831	3.1
97.06438	0.8
99.00764	1.1
101.02312	10.9
103.09573	0.6
109.02879	0.8
111.04392	0.9
113.02329	4.6
119.03355	2.2
123.00681	0.5
123.08018	1.4
125.02345	2.5
125.09596	2.0
137.09592	0.5
139.03859	0.6
141.01881	0.5
143.03426	1.0
149.09673	0.5
151.11169	2.9
153.12711	0.9
161.04472	1.3
161.09610	4.2
169.12231	0.8
171.10258	0.8
179.05591	1.1
179.10678	6.1
197.11751	41.0
198.12057	1.5
203.10281	0.4
205.08551	1.2
209.11778	2.0
221.06747	0.7
223.09660	1.9
235.08206	1.4
235.56964	0.5
241.10808	3.6
255.23248	56.0
256.23541	2.1
263.07581	0.6
269.24747	1.3
397.13455	4.9
415.14505	1.5
534.37140	0.6
647.51855	0.5
859.46741	1.1
877.47949	100.0
878.48242	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	879.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87853	8.4
71.01237	10.1
76.00384	2.0
78.98457	6.8
79.95605	54.0
80.96385	100.0
83.01249	2.3
85.02828	4.0
87.00732	3.8
94.97957	20.8
96.95860	2.2
97.02855	3.2
101.02320	2.5
106.97942	4.3
109.53997	1.6
122.97424	4.5
125.02325	4.7
134.97461	8.6
136.98973	2.6
148.99052	10.8
152.98503	7.7
164.98547	12.5
206.99580	2.6
225.00702	28.8
255.23100	2.4
341.05392	3.2
355.24948	1.9
425.14319	2.2
453.13708	3.7
537.27289	7.0
660.78735	2.0
709.25946	3.7
709.38336	70.1
710.38324	7.2
737.40314	5.4
765.41473	5.9
773.19250	2.0
781.40320	7.3
879.47797	39.8
880.48462	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	879.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19035	0.8
63.96105	1.8
71.01253	10.4
73.02805	2.4
77.17330	0.8
78.98452	7.7
79.95602	51.8
80.96387	100.0
81.03304	0.9
82.35983	0.8
85.02822	3.8
87.00747	3.4
94.97954	21.3
96.95900	1.4
97.02844	1.8
101.02331	2.2
106.97942	5.1
122.55757	0.9
122.97478	4.9
125.02334	2.7
134.97478	6.7
136.99046	1.4
137.12672	0.9
140.07419	0.9
148.99054	7.5
152.98532	6.4
161.04437	1.7
164.98537	11.9
171.10194	1.8
206.99593	3.1
225.00670	22.7
229.54535	1.0
241.00035	1.7
250.38867	0.9
255.23148	2.0
341.05396	2.2
411.13177	1.0
425.14496	1.5
453.14111	3.3
537.27216	3.1
609.28625	1.0
622.60425	0.9
637.32404	1.2
709.38336	58.1
710.38483	7.5
737.41229	5.1
765.40948	7.2
781.40430	4.9
782.39923	1.2
879.47754	26.4
880.48352	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	879.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96100	2.3
68.17606	0.8
70.09959	3.3
71.01250	12.0
73.02819	2.0
78.98454	8.9
79.95605	57.4
80.96387	100.0
85.02826	4.3
87.00747	3.4
94.97955	19.2
95.05267	0.7
95.35526	0.9
96.95883	1.9
97.02811	1.8
98.35828	0.9
101.02296	2.5
106.97938	5.7
113.02238	0.9
122.97479	4.6
125.02328	4.3
127.03931	1.6
134.97482	8.1
136.98993	2.3
148.99020	8.3
152.98534	7.3
161.04399	1.4
163.69133	0.9
164.98529	14.3
171.10205	1.7
179.00224	1.0
181.50049	0.8
188.85928	0.8
206.99594	4.6
225.00685	24.4
241.00060	2.0
244.28934	1.0
255.23296	2.3
283.04718	1.2
300.37830	0.9
341.05338	2.9
349.88461	0.9
411.13062	1.0
425.14780	2.4
453.14355	3.2
503.72580	0.9
509.16882	1.0
537.27374	4.1
564.33069	0.9
637.32483	1.6
651.34863	1.0
679.37671	1.3
709.38312	69.5
710.38995	9.7
737.41229	5.3
765.40894	7.0
781.40137	6.1
789.47687	1.0
879.47675	33.4
880.48090	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	879.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83492	0.6
66.66201	0.7
67.63258	0.6
69.03322	1.2
70.34245	2.7
71.01250	25.0
71.04891	2.0
72.99180	1.7
73.02813	3.1
81.03304	1.3
83.01252	2.2
83.04879	0.7
85.02820	3.7
87.00754	2.8
87.37692	0.8
89.02311	11.3
95.01254	0.9
97.02824	6.0
97.06469	2.1
99.00742	13.1
101.02314	9.8
101.02904	0.9
109.02831	1.0
109.06495	1.0
112.06734	0.6
113.02338	5.4
119.03376	2.8
122.45505	0.8
123.08012	1.7
125.02311	3.1
125.09621	5.2
127.11182	0.9
135.08008	0.9
142.02623	1.1
143.03403	1.4
157.59306	0.8
161.04501	1.0
163.11203	7.2
171.10172	5.1
179.05524	1.7
181.12251	11.6
197.11641	1.1
199.13335	9.1
201.11345	1.7
207.10204	25.5
207.12164	1.3
208.10576	1.5
221.06541	1.9
225.11256	37.9
226.11577	1.9
235.08167	2.0
243.12323	9.0
253.09303	0.8
255.23250	54.3
256.23462	2.2
379.12531	2.1
397.13394	10.5
415.14435	1.6
476.72928	0.8
605.24890	3.3
623.25165	1.5
635.36798	0.8
638.50183	0.8
653.37634	1.0
861.48450	11.4
862.48932	1.2
879.49512	100.0
880.49854	15.8
894.94189	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	881.4027
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.98706	1.2
67.50197	0.9
68.99685	2.1
69.03330	9.1
69.45816	9.1
71.01253	25.7
71.04889	2.3
72.90564	1.0
72.99165	3.8
73.02805	3.3
75.00729	1.3
80.02529	2.2
81.03313	2.1
83.01248	3.1
83.04903	9.6
84.02051	1.2
85.02823	9.2
87.00739	5.9
89.02316	16.7
93.03337	7.8
95.01286	2.1
95.04922	1.4
96.95876	5.1
97.02824	4.1
97.06455	1.8
99.00758	1.4
101.02323	16.4
104.10008	1.0
109.02814	1.4
109.06447	1.3
110.76363	1.0
111.04389	2.7
113.02327	7.0
119.03365	3.7
123.08022	2.5
125.02305	3.6
125.09589	2.7
135.04428	2.9
137.02278	1.4
143.03426	2.3
151.11153	4.0
153.12733	1.3
155.03387	1.9
161.04451	1.7
161.09592	4.5
163.11119	6.0
165.12715	2.7
173.04417	4.6
179.10670	9.7
181.12175	2.5
191.05533	27.2
191.10696	1.3
192.05830	2.1
197.11758	76.0
198.12068	2.8
207.10170	1.6
208.82063	1.1
209.11760	83.7
210.12102	3.9
221.06654	2.4
225.11162	1.2
226.00105	1.0
227.12833	4.7
235.08089	2.0
241.10815	7.8
322.54376	1.2
350.07422	1.1
388.08490	1.2
397.13553	2.6
449.14310	2.4
831.80792	1.3
849.37537	100.0
850.38086	9.6
881.40161	44.5
882.41223	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	881.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.2
70.16947	3.7
71.01250	32.5
72.99178	2.8
73.02818	5.5
80.02570	1.7
80.96406	1.7
81.03331	3.0
83.01271	2.8
83.04891	4.6
85.02837	6.6
86.43623	1.0
87.00739	9.0
89.02312	26.9
95.01257	1.9
95.04910	1.4
97.02825	4.0
98.54190	1.1
98.78584	1.0
99.00773	3.2
101.02321	19.7
113.02327	10.0
115.38968	1.0
119.03368	6.8
125.02337	8.8
125.09619	4.1
126.02610	1.1
127.11174	5.2
143.03392	3.5
149.04489	1.3
155.10663	1.8
161.04486	5.5
163.11188	4.2
165.12703	1.5
169.79440	1.2
171.10202	3.5
171.11627	0.9
179.05550	8.2
181.12236	1.6
201.11247	88.2
202.11620	3.0
207.10260	3.0
209.11765	100.0
210.12045	5.1
217.07001	1.5
221.06654	2.0
225.11269	3.0
226.11710	2.4
227.12831	13.2
235.08195	7.3
253.09314	1.4
255.23256	83.4
256.23535	7.3
259.08240	1.2
287.07681	2.7
292.31631	1.2
293.21375	1.5
305.08774	3.2
323.09891	2.6
379.12451	12.1
380.13065	1.0
397.13480	63.7
398.13834	4.2
415.14551	16.6
416.14728	1.2
439.34265	1.1
581.24548	2.8
589.24884	1.6
598.53192	0.9
599.25305	1.2
607.26300	1.9
635.36761	1.0
653.37305	5.5
661.11926	1.1
747.05969	1.1
881.49817	10.6
882.50348	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	884.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	2.5
63.64372	0.4
66.85815	0.4
70.02840	0.9
70.17979	0.9
71.01249	26.6
72.99174	3.3
73.02832	0.6
73.24055	0.5
78.95764	0.5
83.01256	1.4
83.04891	0.8
85.02819	5.6
85.06455	0.9
87.00761	1.5
88.03896	0.9
89.02311	28.3
95.01241	1.0
96.95880	6.2
97.02805	0.6
98.19779	0.5
101.02315	14.0
102.41733	0.5
108.08040	1.5
113.02315	8.9
115.07549	0.6
119.03391	11.7
121.10075	0.5
126.09138	4.1
131.03377	1.2
138.09129	1.5
143.03371	2.2
149.04411	1.1
156.10194	0.6
161.04469	1.7
166.08655	1.2
171.10162	1.4
179.05519	6.9
184.09697	0.9
191.05479	0.7
209.11792	2.1
225.22134	6.8
253.21658	2.1
270.24384	1.1
271.22787	3.6
272.23325	0.5
275.20181	1.7
277.21533	1.1
287.41803	0.5
293.21234	2.7
296.25937	2.2
312.25302	1.7
323.49362	0.5
324.25458	0.6
336.13345	0.6
380.31564	1.0
392.31635	1.1
394.05154	0.6
397.13293	0.6
410.32736	13.7
411.33008	1.1
428.33704	5.1
429.34464	0.5
565.23297	0.5
590.39056	100.0
591.39337	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	885.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01760	8.1
68.99686	10.7
69.03320	28.7
70.11192	1.4
71.01250	43.7
72.99172	4.6
73.02816	2.5
75.00749	1.6
83.01260	2.6
85.02811	10.0
87.00741	2.6
89.02309	51.6
90.02650	1.5
93.03317	4.0
94.48141	1.3
94.66071	1.5
95.01263	5.0
95.04893	32.0
96.05244	1.3
99.04418	1.7
101.02316	41.7
108.02023	3.0
111.00759	15.7
111.04404	1.5
113.02325	15.7
119.03373	21.8
119.04890	4.2
120.49433	1.2
121.02837	100.0
121.06455	4.5
122.03148	3.5
123.04402	22.0
125.02354	1.4
127.03902	10.4
127.11190	1.2
131.03391	2.4
135.04385	2.9
137.05975	3.3
138.55493	1.4
139.00294	18.8
139.03870	1.4
143.03381	5.1
147.04395	4.9
149.02319	5.2
149.04416	1.5
161.02351	1.7
161.04494	8.9
161.05608	1.6
163.03900	2.3
165.05487	15.0
179.05553	41.4
179.07036	7.8
181.04929	3.9
191.03444	4.3
191.05510	10.5
191.07016	1.9
201.11241	18.0
209.04485	2.1
209.11743	44.4
210.12025	2.0
222.44118	1.3
223.06058	34.8
227.12852	5.7
229.85027	2.1
241.07167	2.1
253.09253	13.6
254.09550	1.6
308.18472	1.4
371.09790	37.4
372.10187	3.0
403.07135	2.6
403.12421	46.7
404.12653	3.4
437.20123	5.0
445.20526	3.1
463.21350	1.4
538.11383	1.7
612.40338	1.4
731.99371	1.6
803.92944	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	885.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14765	0.6
67.01760	12.4
68.99664	0.9
69.03323	3.7
71.01257	5.3
73.02811	1.1
73.62019	0.6
74.02344	1.2
76.53703	0.6
81.03329	2.6
83.04890	1.9
85.02828	2.6
87.00749	19.1
89.02295	0.8
93.03331	100.0
94.03664	2.6
96.95898	2.1
96.96915	0.8
97.06451	0.8
97.97007	0.6
98.19824	1.6
99.00739	2.1
99.04400	1.8
101.02306	2.1
109.02856	1.6
111.04395	14.2
113.02320	2.5
115.03917	0.8
121.02770	1.0
122.02383	1.2
127.03800	0.6
129.01802	1.8
133.02827	2.0
134.02640	1.0
134.03625	13.5
135.04420	5.4
137.02327	2.0
143.03406	1.5
143.79677	0.6
149.61751	0.8
150.03076	0.8
151.03918	1.9
155.03391	3.4
165.01848	1.0
173.04460	44.1
174.04805	1.8
175.28191	0.6
177.01859	1.5
178.02638	3.9
179.03423	1.8
180.04025	0.8
191.05528	17.4
192.05923	1.8
195.06514	1.0
201.11287	1.6
209.11792	4.9
215.07086	0.7
225.07588	0.8
225.11217	0.8
227.12836	1.2
240.31639	0.7
275.09305	1.4
293.10251	1.9
367.12030	0.7
397.13562	1.0
448.09805	0.7
449.14484	30.1
450.14868	3.9
467.15558	99.7
468.15955	8.7
767.23059	0.7
885.26605	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	885.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14765	0.6
67.01760	12.4
68.99664	0.9
69.03323	3.7
71.01257	5.3
73.02811	1.1
73.62019	0.6
74.02344	1.2
76.53703	0.6
81.03329	2.6
83.04890	1.9
85.02828	2.6
87.00749	19.1
89.02295	0.8
93.03331	100.0
94.03664	2.6
96.95898	2.1
96.96915	0.8
97.06451	0.8
97.97007	0.6
98.19824	1.6
99.00739	2.1
99.04400	1.8
101.02306	2.1
109.02856	1.6
111.04395	14.2
113.02320	2.5
115.03917	0.8
121.02770	1.0
122.02383	1.2
127.03800	0.6
129.01802	1.8
133.02827	2.0
134.02640	1.0
134.03625	13.5
135.04420	5.4
137.02327	2.0
143.03406	1.5
143.79677	0.6
149.61751	0.8
150.03076	0.8
151.03918	1.9
155.03391	3.4
165.01848	1.0
173.04460	44.1
174.04805	1.8
175.28191	0.6
177.01859	1.5
178.02638	3.9
179.03423	1.8
180.04025	0.8
191.05528	17.4
192.05923	1.8
195.06514	1.0
201.11287	1.6
209.11792	4.9
215.07086	0.7
225.07588	0.8
225.11217	0.8
227.12836	1.2
240.31639	0.7
275.09305	1.4
293.10251	1.9
367.12030	0.7
397.13562	1.0
448.09805	0.7
449.14484	30.1
450.14868	3.9
467.15558	99.7
468.15955	8.7
767.23059	0.7
885.26605	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	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77843	0.5
67.95511	0.5
69.03310	1.0
71.01246	16.0
71.59036	0.6
72.99171	1.2
73.02810	2.0
78.95815	0.9
80.02535	1.5
81.03329	2.4
83.01245	1.2
83.04889	5.8
84.02037	0.8
85.02814	3.9
87.00768	3.6
89.02315	12.4
93.03328	0.7
95.01256	1.1
95.04926	0.9
96.95867	1.1
97.02833	1.9
99.00761	0.9
101.02315	11.8
109.06492	1.1
113.02331	6.3
114.00675	0.5
119.03371	4.1
122.12469	0.6
125.02336	6.1
131.03374	0.7
135.08058	0.9
141.01805	0.6
143.03392	2.2
149.04399	0.6
161.04404	2.7
163.11191	3.5
164.11609	0.7
165.12738	1.9
172.40135	0.5
179.05533	3.4
181.12224	0.8
188.47339	0.5
191.10690	1.5
199.05994	0.6
207.10199	2.3
209.11761	100.0
210.12134	3.4
217.07146	0.7
221.06644	1.2
225.11273	1.5
226.11650	0.6
227.12834	10.8
233.11775	0.5
235.08185	4.3
277.21704	45.5
278.22073	3.5
279.23221	1.2
287.07690	1.7
291.23566	0.6
305.08685	2.6
323.09998	1.0
379.12567	6.1
397.13489	28.9
398.13647	1.5
415.14575	7.9
722.12799	0.6
725.09857	0.6
885.47571	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	885.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	16.5
71.30335	0.9
72.99160	1.3
73.02806	2.4
75.00712	0.6
80.02528	1.4
80.96389	2.3
81.03324	2.3
83.01256	2.0
83.04892	5.2
84.02031	1.0
85.02825	4.8
87.00744	4.2
89.02313	13.3
91.03926	0.7
94.97957	0.5
95.01256	1.2
95.04918	0.8
97.02819	2.5
99.00712	1.1
101.02317	10.4
111.04411	0.8
113.02328	6.4
119.03392	3.6
125.02328	6.5
135.08018	0.8
143.03407	1.7
143.23805	0.5
144.03732	0.6
152.98595	0.6
160.89931	0.5
161.04410	2.8
163.11209	4.5
165.12708	1.6
169.05048	0.6
179.05515	3.4
181.12126	0.6
191.05508	5.1
191.10712	1.2
207.10179	1.4
209.11760	100.0
210.12109	4.6
221.06590	0.9
225.11243	0.8
226.11545	0.7
227.12823	11.8
228.13051	0.6
235.08228	4.8
253.09317	1.1
277.21704	47.0
278.22092	3.7
279.23364	1.3
287.07742	1.4
305.08707	1.5
323.09857	0.7
326.79608	0.6
379.12482	5.1
397.13477	33.0
398.13904	1.9
415.14572	8.7
462.20633	0.7
589.25098	0.8
607.26428	0.8
675.35809	0.7
885.47601	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	887.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41613	0.6
71.01258	7.7
71.58768	0.9
72.99165	0.6
77.28631	0.7
85.02812	4.3
87.00748	1.0
89.02319	5.3
93.03327	2.6
95.01244	0.8
101.02323	4.9
106.06498	1.4
113.02324	2.5
119.03387	1.7
127.03902	1.1
130.02872	3.2
134.06013	17.0
135.04379	1.6
135.68465	0.7
148.03885	0.8
152.07069	2.2
160.03822	0.9
161.02412	1.0
162.05498	2.4
165.52986	0.7
173.04492	1.9
174.01878	21.0
175.02513	0.7
179.03323	1.0
186.01878	2.9
188.06944	0.8
191.05537	47.7
192.05865	0.9
200.03461	2.6
206.04495	1.5
241.63576	0.8
249.10295	0.8
262.32971	0.7
282.00906	0.8
293.09277	4.6
312.99188	0.7
314.12415	1.3
321.08774	22.7
322.09116	1.5
353.08618	4.1
353.11777	2.5
449.14218	1.0
473.15598	2.6
474.16074	0.8
501.15125	100.0
502.15375	8.1
533.17755	46.9
534.18127	4.6
691.22607	0.7
887.28558	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	887.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41613	0.6
71.01258	7.7
71.58768	0.9
72.99165	0.6
77.28631	0.7
85.02812	4.3
87.00748	1.0
89.02319	5.3
93.03327	2.6
95.01244	0.8
101.02323	4.9
106.06498	1.4
113.02324	2.5
119.03387	1.7
127.03902	1.1
130.02872	3.2
134.06013	17.0
135.04379	1.6
135.68465	0.7
148.03885	0.8
152.07069	2.2
160.03822	0.9
161.02412	1.0
162.05498	2.4
165.52986	0.7
173.04492	1.9
174.01878	21.0
175.02513	0.7
179.03323	1.0
186.01878	2.9
188.06944	0.8
191.05537	47.7
192.05865	0.9
200.03461	2.6
206.04495	1.5
241.63576	0.8
249.10295	0.8
262.32971	0.7
282.00906	0.8
293.09277	4.6
312.99188	0.7
314.12415	1.3
321.08774	22.7
322.09116	1.5
353.08618	4.1
353.11777	2.5
449.14218	1.0
473.15598	2.6
474.16074	0.8
501.15125	100.0
502.15375	8.1
533.17755	46.9
534.18127	4.6
691.22607	0.7
887.28558	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	889.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03305	0.7
69.12372	0.5
71.01246	16.9
72.99162	1.5
73.02815	3.1
76.21651	0.5
80.02550	0.8
80.96383	1.0
81.03307	1.9
83.01241	2.0
83.04877	3.4
84.02034	0.6
85.02824	4.4
87.00739	5.2
89.02309	14.8
95.01294	1.0
95.04849	0.8
96.23490	0.4
97.02824	2.9
99.00765	0.9
101.02318	13.1
109.06401	0.8
113.02334	6.1
119.03367	2.7
121.02830	0.6
125.02321	5.3
125.05976	1.3
131.03380	0.5
135.08115	0.5
141.01811	0.8
143.03387	2.6
161.04448	3.4
163.11209	3.3
165.12720	2.0
178.37622	0.5
179.05495	3.2
181.12254	0.9
191.05545	0.6
191.10732	1.1
199.06052	0.6
207.10136	0.9
209.11754	100.0
210.12111	4.4
217.07010	0.9
221.06607	1.7
227.12828	11.4
229.89993	0.5
235.08177	5.1
253.09238	1.2
255.23396	0.9
259.08133	0.6
259.35071	0.5
269.24564	0.4
281.24841	61.9
282.25168	4.1
287.07733	1.7
289.93619	0.5
295.26532	0.6
305.08670	1.7
323.09875	0.8
348.52231	0.5
379.12393	6.7
397.13467	40.9
398.13834	1.8
415.14493	8.7
589.24530	0.7
598.92194	0.5
677.54358	0.5
679.38971	1.1
889.50531	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	891.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	5.8
68.99685	44.4
69.03323	14.5
70.00018	1.0
70.29005	3.6
71.00882	1.7
71.01246	17.7
72.99192	2.3
73.02785	0.8
75.00760	0.8
76.03619	1.1
79.01778	1.2
81.95878	1.0
83.01237	1.2
85.02821	5.5
87.00742	3.3
89.02312	15.3
93.03327	7.9
95.01256	39.3
96.75291	0.9
96.95905	3.9
97.02828	13.6
97.73640	0.9
98.20483	1.2
101.02315	68.6
102.02670	1.0
108.02047	1.9
109.02841	3.4
111.04432	1.4
113.02332	6.9
119.03381	7.0
121.02859	1.7
123.00761	2.0
123.04403	8.8
127.03919	5.4
129.01790	1.2
133.02838	1.3
134.03561	1.1
135.04402	2.1
141.01799	1.4
143.03369	1.3
149.02327	2.4
155.03394	100.0
156.03734	2.7
159.04369	1.2
161.02400	1.2
161.04472	2.2
172.05186	1.6
173.04500	5.0
173.05881	1.6
175.32565	0.9
179.05545	2.6
189.05481	2.6
191.05522	19.6
192.05867	1.4
197.50383	0.9
209.11775	2.6
237.05450	0.9
241.05000	3.4
255.06444	3.2
275.09308	1.5
281.07974	1.3
295.09634	2.5
308.84741	0.9
309.11264	1.4
311.09241	1.7
312.09924	1.5
313.10828	1.8
317.82831	1.0
327.12186	1.4
357.13287	1.2
359.14700	1.3
438.16714	2.4
449.14194	1.6
450.16522	1.2
453.19070	3.3
465.19070	8.3
481.17255	3.3
482.15659	7.5
497.18140	66.7
498.18521	5.5
549.21442	4.8
561.58020	1.0
567.22040	5.9
568.21942	1.3
659.23407	6.6
722.35046	1.1
729.27588	87.6
730.27917	14.0
847.26880	1.2
891.34393	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	891.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	5.4
68.99688	49.0
69.03325	16.3
71.01247	15.5
71.59269	0.8
72.99151	1.6
83.01222	1.0
83.04895	0.9
85.02828	5.6
87.00763	1.9
89.02320	10.4
93.03331	3.9
95.01258	40.9
96.01597	1.0
96.95876	3.4
97.02819	14.9
101.02317	69.2
108.02041	1.1
109.02825	4.6
111.04396	1.5
113.02328	4.4
119.03414	4.9
121.02808	2.4
123.00773	2.4
123.04408	12.6
127.03910	4.5
127.04744	0.7
129.01816	0.9
131.03279	0.8
134.03581	0.9
135.04416	1.0
136.41493	0.7
137.02338	1.1
141.01816	1.9
143.03394	0.9
147.04416	1.0
149.02371	3.6
155.03398	100.0
156.03719	1.8
161.06110	0.7
172.05168	1.3
173.04471	2.0
173.05930	1.1
175.03905	1.0
179.05545	2.3
187.03972	0.8
187.07562	1.5
189.05476	1.6
191.05522	13.3
192.05846	1.2
197.30763	1.0
201.11238	2.1
209.11783	3.9
210.12102	0.9
215.06920	0.8
241.05026	3.2
255.06606	2.2
283.09747	1.9
295.09616	1.9
309.11484	0.8
311.09201	2.4
312.10135	1.3
327.12204	1.1
341.13809	2.3
359.14987	1.0
397.13669	0.9
437.16501	0.8
438.16766	2.8
449.14227	1.3
450.16818	2.4
453.19125	4.0
465.19205	9.8
482.15936	6.5
497.18164	53.2
498.18384	3.7
533.17529	0.8
534.18829	1.1
535.19794	1.5
549.21533	4.0
567.22467	8.2
627.24585	2.3
659.23413	5.9
729.27594	81.0
730.28143	8.7
891.33124	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	893.344
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14748	0.7
67.01753	3.2
68.99686	38.1
69.03326	11.8
71.01251	16.5
71.08274	1.2
71.09789	0.6
72.99166	1.9
73.02802	0.8
77.78377	0.7
81.03353	1.0
83.01238	0.7
83.04885	0.7
85.02829	7.2
87.00745	3.0
88.29780	0.6
89.02318	16.1
93.03346	4.3
95.01261	39.1
96.95885	13.8
97.02827	12.6
101.02319	59.2
102.02657	0.9
108.02035	1.3
109.02822	1.7
109.06499	2.8
111.00807	0.7
111.04414	0.8
113.02330	7.7
119.03383	8.0
119.04903	0.7
119.33240	0.7
121.02831	9.7
122.03614	0.8
123.00790	1.2
123.04404	14.6
123.08046	1.1
125.09614	2.3
127.03898	4.0
131.03421	0.9
135.04427	1.9
137.02335	1.1
141.01942	0.8
143.03389	1.3
147.04347	1.3
149.02362	1.5
149.05980	1.3
155.03401	100.0
156.03720	2.1
161.04489	1.3
161.05937	1.1
163.03967	0.8
165.05394	0.7
173.04497	1.8
175.03874	0.8
179.03342	0.7
179.05569	3.7
189.05528	1.1
191.03920	1.2
191.05548	13.2
192.05923	1.5
193.64505	0.8
195.06442	0.7
199.13327	0.8
201.11238	8.2
209.11746	4.7
213.11237	6.0
218.49678	0.9
225.11143	0.9
229.10892	0.7
241.08963	0.7
251.12874	2.4
277.65634	0.7
287.16492	2.3
305.17563	2.1
313.14432	0.8
323.18738	3.4
328.13400	0.9
341.19589	5.0
343.15491	4.9
361.18527	1.2
439.17474	2.0
440.18198	1.9
467.20856	17.3
468.20862	1.5
499.19748	50.4
500.20404	4.5
527.13562	1.1
537.21539	0.9
551.22784	5.9
569.23932	7.8
731.29181	45.0
732.29596	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	895.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	2.3
69.27408	1.7
70.73157	1.5
71.01247	22.9
71.01611	2.7
72.06213	1.8
72.99178	2.9
73.02824	2.9
78.95802	3.6
80.96387	5.1
84.64113	1.8
85.02845	5.4
87.00756	6.9
89.02312	17.1
95.00175	1.6
97.02853	4.1
101.02333	15.0
108.14214	1.7
113.02335	10.8
118.30621	2.0
119.03381	5.2
125.02348	6.8
135.83806	1.9
139.03955	2.3
143.03413	3.2
149.04449	2.6
161.04448	7.2
169.12254	53.7
171.10139	14.2
179.05490	4.3
191.05505	2.3
201.11324	5.1
209.11746	11.5
231.93417	1.8
235.08203	5.2
255.23268	100.0
256.23615	3.2
269.24860	7.3
287.07599	2.3
294.85614	2.1
299.04486	2.0
375.45151	2.2
376.58444	2.0
379.12436	25.4
397.13422	42.7
398.13953	3.1
415.14523	5.8
549.25232	7.4
567.26776	3.7
635.36432	6.9
653.37469	8.5
849.49188	9.8
867.49902	5.7
895.48822	11.1
896.48444	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	895.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26267	1.2
69.03304	1.9
70.91347	3.9
71.01254	13.8
73.02798	3.4
78.95747	2.0
80.96387	4.2
81.03313	1.7
83.04893	4.4
84.02052	1.5
85.02811	3.6
87.00748	4.3
89.02316	12.1
95.01254	1.6
97.02829	2.8
101.02323	11.1
113.02309	5.4
119.03397	4.2
123.53600	1.3
125.02338	4.1
138.97606	1.4
143.03391	2.5
161.04440	3.0
163.11137	3.4
165.12703	3.2
179.05595	3.1
209.11760	100.0
210.12086	5.1
225.00497	2.3
227.12820	12.4
235.08194	4.4
255.23259	51.6
256.23611	2.3
287.07660	1.5
305.08789	1.9
379.12393	8.5
397.13477	44.2
398.13449	2.4
415.14694	7.2
571.37360	1.4
575.19867	1.6
589.24847	1.7
620.10614	1.5
653.38062	2.1
711.15906	1.5
895.48743	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	897.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	17.1
71.58924	9.7
71.87320	9.5
80.96375	12.2
89.02303	12.8
94.94628	7.6
99.00783	12.2
114.34812	6.9
160.02692	7.5
207.10214	25.2
225.11293	45.1
238.47015	8.2
243.12206	15.0
255.23279	55.7
281.81964	7.7
340.08392	8.5
397.13589	12.6
409.43451	8.1
515.74188	7.9
571.35181	8.8
605.24316	17.9
851.99701	8.4
861.48486	100.0
862.48621	17.0
897.46246	85.4
898.46747	12.6
926.75043	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	897.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11413	0.6
69.03324	2.6
69.64965	4.4
71.01251	100.0
72.01581	1.5
72.99178	2.9
73.02814	5.7
78.95776	1.4
80.96411	1.0
81.03321	1.4
83.01255	3.2
83.04874	0.5
85.02834	4.7
87.00749	7.7
89.02316	21.7
93.03346	0.9
95.01242	1.9
97.02838	6.7
99.00742	3.6
99.04366	0.8
100.62714	0.6
101.01680	1.3
101.02319	20.0
109.06470	6.2
111.04396	1.1
113.02332	9.5
115.03856	0.9
119.03384	6.6
121.02868	0.7
124.01583	0.7
125.02319	6.9
125.05967	0.8
125.09600	2.5
127.11178	2.7
131.03355	0.9
135.08116	0.7
137.09647	0.8
139.03877	0.8
141.01746	2.0
142.02640	0.8
143.03400	3.6
155.10669	1.9
161.04459	3.7
161.09615	0.7
163.11205	4.6
168.43422	0.6
168.52132	0.6
171.10173	50.2
172.10527	1.5
179.05550	4.2
181.08597	1.6
181.12239	2.9
185.11739	1.0
199.09663	14.2
199.13293	2.0
201.11269	16.2
201.13164	0.8
207.10202	20.5
208.10524	1.7
209.11809	1.1
217.07146	1.1
217.10660	0.7
221.06592	2.2
225.11267	14.5
235.08199	6.0
243.12309	2.5
253.09219	0.9
253.91870	0.7
255.23262	81.2
256.23615	5.2
259.08136	0.9
263.07590	1.4
269.24759	1.1
287.07727	1.5
305.08737	1.0
323.09689	1.5
347.40759	0.6
379.12384	6.5
397.13495	44.0
398.13721	2.0
415.14618	9.0
416.14996	1.1
444.08496	0.8
605.24469	1.5
623.25146	1.7
653.37384	1.2
835.46576	2.3
836.47467	1.2
861.48328	10.4
862.49536	3.4
879.49200	2.8
880.49353	0.8
897.50397	15.9
898.50879	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	897.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81397	0.8
69.03335	1.9
71.01248	100.0
72.01591	1.1
72.99181	1.8
73.02817	3.9
81.03334	1.4
83.01251	3.0
83.04902	0.9
85.02818	5.3
87.00734	5.9
89.02314	21.8
95.01285	2.0
96.25796	0.8
97.02824	5.2
99.00758	3.8
101.02315	17.8
109.06462	5.6
111.04380	1.3
113.02307	11.1
119.03391	3.8
125.02336	7.7
125.09585	2.4
125.79057	0.8
127.11162	2.6
135.08017	0.9
135.62097	1.0
137.09579	1.3
141.01843	1.3
142.02585	1.0
143.03395	2.4
145.04953	0.9
153.09106	1.1
161.04514	4.3
163.11234	5.1
171.10170	47.5
172.10515	1.6
179.05475	4.6
181.08566	1.0
181.12224	1.4
185.11810	0.9
199.09659	11.9
199.13489	1.6
201.11253	17.5
202.11626	1.0
207.10179	21.4
209.11705	1.1
215.12758	1.0
221.06653	2.1
225.11269	16.3
229.54332	1.1
235.08136	6.7
243.12411	1.9
253.09341	1.0
255.23254	74.4
256.23608	4.3
269.24887	1.5
287.07706	1.8
294.24780	0.9
305.08707	1.3
373.58270	0.9
379.12485	6.0
397.13461	41.3
398.13882	2.0
404.77249	1.0
415.14557	8.8
416.14868	1.5
589.75916	0.9
605.23883	1.0
623.25909	1.5
653.37677	1.3
835.46698	2.9
861.48358	8.9
862.48541	2.4
879.49622	3.2
897.50775	14.9
898.50604	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	897.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93430	0.9
69.03315	1.7
69.41987	0.9
70.83056	3.1
71.00887	1.4
71.01248	19.6
71.40292	0.9
72.99155	1.5
73.02817	1.9
80.96422	1.3
81.03300	1.5
83.01257	2.2
83.04896	1.2
85.02808	4.3
87.00736	3.8
89.02318	11.5
97.02803	3.0
99.00734	5.4
101.02328	11.3
113.02290	5.2
119.03371	3.7
121.39999	1.0
123.04382	1.4
124.01376	0.9
125.02316	2.4
125.09612	4.9
126.45949	1.0
127.11158	3.6
143.03342	1.7
155.10657	2.1
161.04446	1.3
163.11177	3.9
171.10123	3.4
181.12300	6.1
183.10071	1.4
191.05602	1.7
199.09550	1.1
199.13263	5.3
201.11244	45.5
202.11530	1.1
206.40057	1.0
207.10172	9.1
209.11763	2.3
225.11261	15.7
226.11783	1.5
235.08223	2.4
243.12253	3.8
255.23254	52.8
256.23608	2.2
259.83749	1.1
275.94189	1.0
397.13327	8.8
415.14563	2.7
605.24426	1.6
653.37158	1.5
861.48224	7.5
862.49677	1.1
879.48755	5.6
897.50537	100.0
898.51001	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	897.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	1.7
71.01247	100.0
72.01588	1.2
72.99184	1.1
73.02812	3.8
81.03346	1.5
83.01254	2.3
85.02818	5.1
87.00743	6.7
89.02309	15.4
95.01254	1.2
97.02804	4.1
98.20657	1.2
99.00751	2.9
101.02308	15.5
109.06461	4.3
110.02187	0.7
111.00723	0.9
111.04414	0.7
113.02326	8.2
119.03375	5.8
123.08089	0.7
125.02340	7.5
125.09586	2.1
127.11176	2.4
137.09702	0.6
140.65628	0.8
141.01817	1.1
143.03407	2.1
149.04462	0.7
155.10692	0.7
161.04436	3.3
163.11203	2.6
171.10167	53.3
172.10506	1.6
175.60532	0.6
179.05562	3.2
181.08606	0.7
181.12219	1.4
199.09651	9.2
199.13297	0.6
201.11250	10.1
207.10190	14.3
209.11778	1.3
217.07050	0.8
221.06572	1.7
225.11285	10.0
229.29689	0.7
235.08151	5.7
243.12328	1.2
253.09319	1.1
255.23253	69.3
256.23633	4.5
263.07440	0.9
287.07626	1.3
305.08646	1.9
379.12576	5.9
397.13446	41.4
398.13788	2.2
415.14536	9.1
441.92465	0.7
561.25195	0.8
605.24805	1.7
623.25684	1.4
653.37506	1.2
835.47192	2.5
861.48584	7.6
862.49084	2.7
879.49469	1.3
897.50592	9.1
898.51318	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	899.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03812	0.6
67.01756	14.7
69.03311	4.3
69.30556	3.3
69.30969	1.3
71.01255	5.4
73.27394	0.5
80.44559	0.4
81.03317	2.5
83.01243	0.6
83.04892	2.0
85.02827	4.0
87.00745	18.8
88.76981	0.4
89.02309	0.7
93.03328	100.0
94.03657	2.0
95.01195	0.5
96.95888	2.1
97.02805	1.0
99.00758	2.1
99.04369	2.3
101.02292	0.8
108.02044	0.8
109.02838	1.3
111.00742	0.8
111.03622	0.7
111.04390	13.0
112.04662	0.7
113.02303	1.7
115.03869	0.6
119.04930	0.9
120.73680	0.4
125.02352	0.5
127.03912	1.2
129.01814	2.0
133.02843	2.7
134.03627	7.7
135.04416	8.2
137.02318	2.4
139.04001	0.5
143.03403	0.8
150.03148	0.7
151.03909	1.2
155.03389	3.6
156.91859	0.4
161.02325	0.7
161.04515	0.4
162.03174	0.8
163.03908	1.0
173.04457	43.5
174.04776	1.8
177.01830	1.6
178.02589	5.4
179.03432	2.2
187.07521	1.3
191.05524	26.7
192.05870	1.6
201.65758	0.4
209.11746	0.7
215.12862	0.6
231.10246	1.3
257.08121	0.5
275.09201	3.1
307.08191	0.5
308.08908	0.9
351.07251	0.5
352.08051	2.5
353.08701	0.7
436.12006	0.5
449.14474	75.3
450.14847	6.6
467.15530	0.8
481.17099	71.7
482.17297	5.8
802.22809	0.6
898.26343	0.5
899.28680	2.5
900.30103	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	899.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01756	12.6
69.03326	4.7
71.01252	8.5
71.04890	1.0
71.59098	1.3
73.02817	0.8
81.03329	3.5
83.04902	2.1
85.02818	7.7
87.00744	19.3
90.40793	0.8
93.03331	100.0
94.03678	2.6
95.01243	0.7
96.95868	3.5
99.00761	2.9
99.04379	2.6
101.02334	2.2
109.02831	3.1
111.03638	0.8
111.04395	15.1
112.04784	0.6
113.02361	2.0
115.03943	0.8
124.29158	0.7
127.03897	2.0
129.01822	2.0
133.02832	2.3
134.03621	9.1
135.04402	13.6
137.02283	3.3
143.03412	0.9
145.02779	0.8
146.35484	0.7
148.03069	0.7
150.03108	1.2
151.03900	2.1
153.01794	0.7
155.03415	4.1
156.95222	0.6
159.26134	0.6
160.01527	1.0
161.02307	1.4
162.03130	1.9
165.01884	0.8
171.02945	0.9
171.10216	0.7
173.04463	48.3
174.04866	0.7
178.02628	5.3
179.03383	2.5
187.07513	1.2
191.05527	57.5
192.05885	3.3
193.06046	0.9
209.11740	0.9
215.07071	2.7
231.10304	1.6
257.08185	1.0
275.09268	5.7
294.27588	0.6
301.84549	0.6
307.08310	0.8
308.09085	1.4
311.66476	0.7
352.07895	2.6
353.08643	1.0
449.14474	63.3
450.14914	6.7
458.59860	0.8
467.15942	0.8
481.17111	60.1
482.17731	5.7
501.07373	0.9
583.17047	0.8
725.23438	0.9
802.24219	1.6
833.05792	0.8
876.15784	0.7
899.29065	4.4
900.30402	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	903.4959
Annotation	C21217
Peak:m/z	Relative Intensity
69.03322	4.3
69.68268	1.3
71.01245	16.2
72.73842	1.3
73.02821	2.9
78.95760	1.4
80.04915	1.2
80.96380	1.2
85.02828	3.7
87.00757	3.0
89.02322	7.7
90.24867	1.2
95.01264	1.8
97.02824	2.9
101.02328	9.8
101.79702	1.3
113.02308	5.0
119.03367	3.0
125.02330	2.4
126.07941	1.3
151.11153	2.6
161.09575	2.7
161.55835	1.4
179.10690	6.1
197.11754	37.9
205.66002	1.5
209.11734	3.1
221.06552	1.7
241.10764	2.5
281.24863	51.2
282.25253	2.3
340.50568	1.3
375.35678	1.3
397.13510	3.6
556.39337	1.3
903.49506	100.0
904.50043	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	905.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01751	13.2
67.82992	0.9
68.99684	28.8
69.03323	14.7
71.00890	1.1
71.01251	15.7
72.99169	1.8
74.52583	0.9
83.04853	1.0
84.18971	1.0
85.02803	3.3
87.00726	1.7
87.43217	0.8
89.02320	9.7
89.97347	1.0
90.79808	0.8
93.03326	17.2
95.01254	41.4
95.04876	1.5
96.95842	1.1
97.02792	2.5
98.20545	3.1
99.00750	1.0
101.02313	45.2
108.02058	1.1
109.02811	2.8
111.04388	2.0
113.02283	4.7
119.03391	4.4
121.02848	6.2
123.00732	1.5
123.04396	27.0
124.04807	1.2
124.68349	0.9
127.03898	22.9
133.02881	5.4
135.04419	7.8
135.72260	0.9
137.02339	8.8
147.04420	1.1
149.02361	6.5
149.05930	1.7
151.03880	1.5
153.05438	3.0
155.03398	100.0
155.10664	2.3
156.03711	2.5
161.02269	1.7
161.05928	1.2
163.03912	4.4
165.16963	1.0
169.04961	1.5
175.03908	2.0
177.05437	3.5
181.04930	2.6
189.05450	1.4
191.03435	3.0
191.05489	9.4
193.04970	2.8
199.09642	1.6
207.06480	1.1
209.11720	1.8
211.06059	7.3
217.04997	1.9
225.07639	2.2
227.12729	1.1
229.43503	1.1
235.06065	5.1
241.07132	4.2
255.21346	0.9
279.05017	6.9
279.08243	2.0
311.07626	2.3
311.10971	1.2
398.13907	1.4
524.54944	0.9
543.17139	55.4
544.17310	3.7
673.19696	23.4
674.20227	2.0
905.29199	45.0
906.29169	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	905.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28063	1.3
65.03849	1.3
66.53471	1.3
67.01767	6.6
67.62462	1.1
68.99682	15.0
69.03322	6.6
71.01245	8.3
71.58913	1.7
72.99184	1.4
83.04932	1.3
85.02823	2.2
89.02316	4.4
93.03339	25.1
95.01259	22.0
97.02824	1.8
101.02317	21.4
105.93714	1.2
109.02880	2.2
111.04435	2.0
113.02347	3.5
119.03446	1.8
121.02840	3.4
123.04417	16.2
127.03900	12.6
127.16240	1.2
133.02797	1.9
135.04413	8.0
137.02347	12.8
143.03462	1.1
149.02327	4.4
149.06000	1.9
155.03401	59.9
155.10651	3.4
156.03716	1.5
161.05980	1.4
162.03206	1.2
163.03976	6.3
175.03900	1.5
177.05482	3.1
177.64230	1.2
181.05020	1.3
189.05482	1.9
191.03474	3.5
191.05540	10.8
199.03937	1.4
199.09642	2.9
209.11705	2.0
211.06062	3.4
217.04913	2.7
225.07622	1.4
235.06078	7.7
241.07195	2.8
279.05042	8.5
279.08029	1.5
286.22906	1.5
311.07703	3.5
311.11310	1.4
324.72693	1.3
455.17004	2.0
543.17169	100.0
544.17487	12.6
670.98633	1.5
673.19812	12.0
849.55151	1.5
905.29199	28.9
906.30042	5.6
914.04120	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	909.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	24.5
71.59071	4.2
73.02824	5.1
85.02813	6.6
87.00749	9.0
89.02309	20.2
97.02813	5.2
101.02306	21.0
113.02338	10.3
125.02306	3.1
169.12277	19.9
197.11726	50.6
209.11778	12.0
235.08121	3.7
255.23262	100.0
256.23611	4.3
397.13284	15.4
735.03235	3.3
877.48071	70.9
878.48828	7.1
909.50513	80.0
910.51288	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	913.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38305	0.6
65.03833	1.4
67.01752	3.7
68.99686	9.8
69.03324	7.0
70.74492	0.7
70.74835	1.6
71.01255	6.4
72.99184	1.1
73.02807	0.8
79.01761	1.0
81.03322	1.6
83.04900	2.2
85.02825	4.5
87.00728	1.5
88.07851	0.6
88.89457	0.7
89.02315	2.2
93.03331	42.3
94.03711	0.8
95.01260	44.2
96.95927	0.8
97.02826	5.2
99.00764	1.1
101.02321	12.3
107.04935	0.7
109.02833	2.1
111.04397	4.3
113.02320	2.0
119.04936	0.9
121.02851	5.1
121.06449	0.9
123.00790	1.3
123.04395	11.9
127.03922	1.7
133.06488	1.4
135.04408	18.5
137.02339	17.5
141.01807	0.9
143.04893	1.5
147.04404	2.3
149.02344	6.6
149.06000	2.2
151.03889	2.9
155.03397	100.0
156.03773	1.6
159.04376	0.9
161.05995	2.2
162.03113	2.5
163.03902	9.8
171.04478	3.3
173.04430	1.7
173.05937	1.2
175.03946	2.1
176.04716	1.1
177.05469	6.4
179.03474	1.4
189.05531	3.8
191.03458	5.0
191.05525	14.8
191.06955	0.7
199.03854	0.9
207.06483	1.2
209.11760	1.3
215.07091	0.8
217.05008	6.2
235.06038	11.4
272.18515	0.6
279.05118	13.1
311.07727	3.9
349.09100	1.1
369.04639	0.8
407.13330	1.4
437.14203	0.7
524.04822	0.8
536.92273	0.8
605.18713	1.7
649.17621	3.6
679.28314	0.8
681.20288	10.0
719.21735	1.8
913.29596	52.9
914.30096	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	915.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19994	2.4
71.01245	26.0
73.02820	5.2
80.66953	2.8
80.96391	6.8
83.04943	3.2
85.02819	6.1
87.00729	6.5
89.02334	15.6
97.02810	5.8
101.02320	16.3
109.06454	5.0
112.77860	2.9
113.02353	8.3
119.03373	6.9
125.02316	4.5
143.03398	4.3
155.10710	3.1
158.77083	2.6
161.04478	5.4
163.11206	4.7
171.10201	10.0
175.54018	3.0
179.05554	4.3
181.68224	2.7
199.09665	29.6
201.11215	4.0
205.78062	2.7
207.10159	32.3
221.62639	3.1
225.00777	3.3
225.11252	32.6
229.40608	2.8
255.23241	68.1
323.09802	3.5
379.12463	12.2
379.16995	2.9
397.13477	57.3
415.14621	12.4
457.10098	2.8
478.74097	3.1
579.23071	5.9
587.23645	3.4
605.24561	7.3
623.26062	3.9
635.36530	4.4
653.37109	16.2
732.22589	2.9
835.46985	100.0
836.46942	13.0
843.47150	5.3
861.48383	59.8
862.49451	11.8
879.50299	3.8
915.46765	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	917.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01747	4.6
69.03307	1.8
71.01257	3.7
79.08932	0.6
81.03339	1.4
83.04907	1.1
85.02808	6.6
87.00749	9.6
93.03328	38.2
95.01279	0.6
96.35404	0.6
96.87290	0.6
96.95885	5.4
98.19830	1.4
99.00761	1.3
99.04369	0.7
101.02326	1.3
103.95935	0.6
105.03344	0.7
105.81422	0.7
108.02056	3.7
109.02828	2.6
111.00771	1.0
111.04399	6.0
113.02348	1.0
118.41446	0.6
121.02809	3.3
123.00687	0.9
123.04416	1.1
124.01545	7.5
125.02361	3.1
126.03120	1.2
127.03880	1.9
129.01807	0.8
133.02844	4.7
134.03632	14.6
135.04405	100.0
136.04776	2.1
137.02376	2.9
139.09358	0.7
145.02921	0.6
150.03105	4.7
151.03906	14.5
151.05057	1.3
153.01784	1.1
155.03403	2.3
159.35944	0.7
160.01602	1.9
161.02330	2.3
162.03119	1.2
167.03355	0.8
173.04463	14.6
177.01825	1.6
178.02597	1.7
179.03413	25.2
180.04059	1.8
181.04872	1.0
191.05525	60.2
192.05896	3.1
209.11800	0.8
211.07552	0.7
222.32721	0.7
225.05388	0.7
257.08167	5.3
275.09241	3.6
289.97610	0.7
290.07938	1.4
306.07452	0.9
307.08197	10.8
308.08963	26.2
309.09592	1.2
318.34808	0.7
323.07806	1.9
351.07239	2.2
352.07965	59.5
353.08289	3.4
449.14493	48.5
450.14706	3.3
463.11429	0.8
467.15656	0.9
537.13977	0.8
564.21527	0.6
606.04797	0.7
754.33929	0.7
802.23889	0.7
899.29657	4.4
900.30225	0.8
917.31299	2.4
917.47656	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	917.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07095	13.4
71.01253	25.1
73.02834	4.2
79.95604	3.8
80.96375	28.9
81.99390	3.4
85.02815	4.4
87.00746	6.7
89.02324	13.2
94.97961	8.6
96.95889	3.8
97.02814	4.1
101.02324	11.8
113.02293	9.8
119.03365	6.5
125.02319	11.1
127.11214	3.6
152.98488	4.6
161.04462	4.8
164.98581	4.5
171.10165	4.8
179.05473	4.0
199.13295	5.7
200.68756	3.4
201.11237	82.4
207.10315	5.4
209.11763	77.1
210.12076	4.1
211.86609	3.8
225.11131	3.6
227.12840	19.9
235.08156	6.2
245.04939	3.8
255.23256	67.3
277.21661	4.2
287.07437	4.1
293.21094	5.2
299.49060	3.6
379.12448	25.9
397.13446	100.0
398.91663	4.1
407.09692	4.0
415.14313	15.0
581.24237	9.9
585.06781	4.3
589.24725	11.4
599.24762	7.6
607.26154	6.2
635.36383	10.7
653.37476	29.6
837.48615	13.4
838.48895	5.3
845.47833	7.4
917.48022	47.9
918.47803	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	921.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01746	1.1
69.03326	24.9
71.01253	23.1
72.99155	2.2
85.02824	3.6
87.00732	1.1
89.02316	24.0
93.03339	6.4
95.01272	2.2
97.02828	37.3
101.02324	10.3
105.03329	1.3
113.02323	9.5
119.03407	9.0
121.02850	1.0
121.06482	1.0
123.04417	7.3
131.03442	1.3
132.49603	1.0
141.01851	1.5
143.03433	1.9
149.04761	1.6
149.05965	13.4
149.66451	0.8
161.04459	1.3
167.07043	6.2
179.05537	11.1
191.05421	1.0
193.03305	1.8
193.04979	25.2
193.06758	1.3
373.11374	100.0
374.11636	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	921.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	2.3
69.25039	8.9
69.25447	3.2
71.01251	18.8
71.04867	1.4
72.25056	1.1
73.02815	3.9
75.00732	1.7
80.96432	1.8
83.01245	2.9
85.02827	5.0
87.00758	6.6
87.60355	1.3
88.07143	1.2
89.02311	8.9
93.78306	1.1
95.01258	2.3
95.04902	1.6
97.02823	10.8
97.06438	1.7
98.19801	2.2
99.00751	25.9
101.02311	12.8
109.06477	1.8
113.02364	6.3
119.03378	2.3
125.02309	8.7
125.09612	6.6
139.66711	1.4
142.02570	3.6
143.03355	1.9
154.95546	1.3
161.04471	1.5
163.11171	11.7
168.25349	1.1
179.05635	1.4
181.12244	19.3
197.11803	1.8
199.13356	2.0
207.10199	61.5
208.10539	2.3
209.11810	3.6
221.06497	1.5
225.11267	84.0
226.11591	2.9
235.08147	3.5
238.94830	1.7
243.12341	30.7
244.12639	1.6
245.06741	1.2
255.23251	77.9
256.23587	4.0
281.24811	2.0
289.42706	1.3
305.08786	1.5
361.55682	1.3
379.12360	2.2
395.70566	1.2
397.13382	13.9
406.27158	1.4
415.14511	1.7
460.31488	1.3
535.64496	1.3
605.24573	20.4
606.24316	1.4
623.25623	8.8
653.38257	1.6
861.48468	100.0
862.48682	11.4
879.14166	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	923.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63662	0.8
69.03313	1.6
71.01254	16.9
72.99184	2.1
73.02831	2.8
80.02526	1.1
81.03318	1.8
83.01261	1.6
83.04891	5.3
85.02818	4.6
87.00755	4.7
89.02312	11.7
97.02826	3.0
98.19720	1.2
101.02319	14.0
110.17902	0.8
113.02324	7.1
119.03381	3.4
125.02313	5.3
143.03368	1.9
161.04466	3.2
163.11165	3.8
165.12746	1.3
179.05525	2.9
207.10167	1.8
209.11758	100.0
210.12151	4.5
217.07014	1.2
227.12830	7.8
229.28708	1.1
235.08218	5.2
253.09117	1.1
255.23253	56.6
256.23703	2.2
259.08264	1.1
286.29901	0.9
287.07709	1.4
305.08691	1.9
379.12451	11.7
397.13489	40.0
398.13995	2.0
415.14584	5.6
487.13782	1.1
589.25037	3.6
607.26447	1.7
635.36627	2.0
653.37787	5.0
863.49835	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	926.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61377	87.0
71.01258	38.9
129.98853	29.0
209.11749	100.0
255.23293	29.1
256.23755	28.3
264.32321	25.6
379.80679	26.9
397.13425	29.2
451.65198	29.0
454.73218	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	929.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03809	1.5
67.01752	3.3
68.99692	2.6
69.03310	2.3
69.85255	7.3
71.01252	3.0
73.07922	1.4
76.95527	1.3
76.96027	1.1
77.18482	1.2
78.55657	1.2
83.01290	1.3
83.04829	1.5
89.02332	2.6
92.71674	1.1
93.03332	37.6
95.01272	11.2
101.02325	6.4
111.04404	2.2
113.02275	1.2
121.02817	2.4
123.04417	6.0
127.03880	6.9
131.23666	1.2
137.02327	17.3
149.02341	1.8
150.03131	1.3
155.03397	39.6
191.05582	4.5
210.59764	1.6
220.75859	1.4
246.03149	1.3
291.88919	1.3
311.07684	8.0
330.63916	1.7
369.35898	1.5
543.17139	100.0
544.17682	9.7
640.29675	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	931.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03816	0.5
67.01762	6.9
69.03327	1.8
71.01249	3.7
71.04879	0.7
71.59193	0.7
72.99189	0.5
73.02823	0.5
81.03329	0.9
83.04891	1.4
85.02818	7.4
87.00751	10.5
90.30953	0.4
90.98977	0.4
93.03333	51.9
94.03651	1.1
97.06463	0.8
99.00756	0.8
99.04375	0.6
101.02303	0.8
109.02828	3.9
111.04398	8.3
113.02356	0.7
115.03897	0.5
121.02834	1.0
127.03880	1.0
129.01840	1.3
133.02853	1.1
134.03630	16.3
135.04427	3.7
136.01564	2.2
137.02336	5.6
151.03891	2.6
154.02641	0.6
155.03395	3.2
171.02943	0.6
173.04465	43.0
178.02640	2.0
179.03374	0.7
191.05533	83.9
192.05859	2.4
231.10188	2.8
233.06476	0.7
246.76483	0.5
275.09280	1.5
293.10275	8.2
316.74847	0.5
340.08194	0.6
352.08270	0.6
437.14545	6.6
449.14615	8.2
467.15558	100.0
468.15961	7.3
720.88092	0.5
724.17249	0.5
852.26007	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	931.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	10.8
85.02827	6.7
89.02313	8.6
101.02325	12.4
125.02347	6.2
176.40512	3.4
179.05544	5.0
209.11732	100.0
227.12907	22.5
255.23286	46.2
256.23724	3.7
277.51328	4.1
341.10172	3.7
362.75058	3.9
379.12387	23.6
397.13498	56.3
398.13986	5.0
415.14514	11.5
589.24945	8.1
607.26178	5.7
635.36499	13.2
653.38025	15.5
660.82043	4.6
931.50525	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01760	0.8
68.99707	0.4
69.03323	1.0
71.01251	2.0
71.20121	0.6
81.03317	0.6
83.04881	0.5
85.02821	11.7
87.00742	3.5
89.02331	0.4
93.03335	7.6
95.01251	1.1
95.09746	0.3
96.95902	1.6
97.37191	0.3
99.00751	0.3
99.04388	0.5
101.02296	0.6
108.02018	0.5
109.02836	1.9
111.00791	0.3
111.04400	1.8
127.03908	3.5
129.01892	0.5
135.04417	0.4
136.01546	1.2
137.02348	2.2
143.03409	0.3
146.03630	0.3
153.01871	0.4
153.05518	0.4
154.02582	1.6
155.03381	1.0
155.04933	0.9
157.06558	0.3
158.03638	0.7
158.07256	3.9
159.04424	1.7
171.02907	2.2
171.04295	0.5
171.08008	0.3
171.10205	0.5
172.05196	1.0
173.04462	4.1
173.05983	1.6
174.03262	0.4
174.06755	0.5
175.07617	0.4
177.01784	0.3
179.03407	0.3
183.04395	3.0
184.04958	0.3
185.06042	0.7
186.06790	4.9
187.03824	0.4
187.07567	3.3
188.08357	0.4
189.03958	1.1
189.05484	0.4
189.09151	2.0
191.05531	100.0
192.05865	2.3
198.03137	0.7
199.03925	2.7
199.07603	0.4
200.04718	2.2
200.08350	0.7
201.05501	1.7
201.09215	0.8
202.06317	0.8
203.06927	0.5
203.10715	0.5
209.11758	1.6
211.07510	0.5
212.08415	3.1
213.05540	0.7
213.09059	0.4
214.06322	1.6
215.07076	32.9
216.07513	0.8
226.02654	1.0
227.03471	3.2
227.07068	1.0
228.07848	2.1
229.08713	1.9
230.09450	0.9
231.06657	0.8
231.10229	1.0
232.03665	0.9
232.05724	0.5
233.06563	0.7
255.06569	2.8
256.07388	19.9
257.07953	0.9
264.04810	0.4
274.08514	0.9
275.09158	0.4
311.12790	0.7
325.07199	0.4
353.13861	1.1
369.13446	0.4
371.15134	0.9
404.15289	0.3
405.11929	0.7
419.13791	0.8
438.16885	0.7
448.13809	1.2
456.12292	0.3
471.73334	0.3
499.12332	0.8
531.14911	1.0
535.23712	0.4
545.20239	4.4
753.27673	1.0
754.94702	0.3
759.29004	0.4
786.32068	0.3
933.33661	5.5
934.34229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97772	3.3
71.01250	68.1
72.99152	2.2
73.02805	5.5
77.71349	1.6
80.96401	2.2
83.01257	3.1
85.02831	7.3
87.00738	6.9
89.02319	25.0
89.30457	1.6
95.01263	2.9
97.02821	5.5
97.06412	1.7
99.00767	6.9
101.02318	25.6
106.58290	1.7
109.06435	3.9
113.02314	13.2
119.03397	7.9
125.02336	11.2
125.09566	3.6
127.11145	5.7
135.07928	1.8
139.03822	2.1
141.01813	2.1
143.03395	3.9
155.10698	2.6
161.04443	5.3
163.11177	6.6
171.10179	39.6
179.05551	8.5
181.08530	2.3
181.12207	4.4
199.09683	24.2
199.13344	3.5
201.11235	44.4
207.10211	22.1
208.10423	1.6
215.12785	2.1
223.09477	1.8
225.11258	30.9
235.08153	6.2
243.12331	4.6
255.23257	100.0
256.23639	5.5
287.07791	1.9
297.24274	1.9
305.08875	2.8
323.09674	2.6
379.12555	10.8
397.13461	74.8
398.13849	3.9
415.14587	16.5
579.22668	3.0
597.23816	2.5
605.24457	3.5
623.25201	3.3
635.35974	2.5
653.37274	8.0
835.46753	18.6
836.47638	3.4
843.44611	10.5
861.48389	27.6
862.49060	3.0
879.49487	9.9
897.32831	1.9
897.50476	36.2
898.50098	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	939.6419
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24950	0.8
65.44651	0.8
66.31491	0.8
67.01743	1.3
70.08095	1.0
71.01223	2.1
72.99154	0.9
75.00719	0.8
81.03333	1.0
83.04910	1.3
85.02818	2.4
87.00742	2.1
89.02322	1.3
93.03337	6.7
96.95871	3.6
101.02285	1.0
111.04393	1.0
113.02378	0.9
120.99524	3.7
121.02821	1.2
127.03870	0.9
133.04950	1.0
134.03627	1.1
135.04385	2.0
151.03831	1.1
153.09724	1.0
173.04457	3.1
191.05537	15.3
211.07538	2.2
225.11169	1.8
255.06563	1.2
304.20117	0.9
385.02097	0.9
449.14282	1.8
467.15494	1.5
532.38153	0.9
903.67078	2.6
939.64166	100.0
940.64240	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	943.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.2
71.01249	21.4
72.99170	2.0
73.02821	3.7
75.00736	0.7
81.03312	1.2
81.93954	0.4
83.01243	2.3
85.02821	5.0
87.00748	5.2
89.02312	16.4
93.03352	0.6
95.01260	2.1
95.04848	0.5
97.02828	2.8
99.00753	1.6
101.02318	16.5
111.00764	0.5
111.04395	0.7
113.02315	9.2
119.03369	4.3
121.02840	0.4
125.02328	8.2
131.03401	0.8
133.04933	0.5
141.01860	0.5
143.03397	3.9
148.08861	0.8
150.10352	0.7
161.04422	4.1
163.11160	0.6
165.12764	11.3
167.03336	0.5
176.99812	0.4
179.05499	3.2
191.05408	0.6
191.14304	0.5
221.06583	1.3
229.76952	0.5
235.08176	10.2
245.06693	0.5
247.20624	6.4
253.09274	1.6
253.21686	62.6
254.22032	3.8
263.07620	0.9
273.18549	2.5
287.07709	2.8
291.19638	42.7
292.19977	3.2
305.08652	4.2
323.09897	1.0
379.12378	0.6
394.27396	0.5
397.13467	100.0
398.13751	5.1
415.14539	31.4
416.14914	1.4
417.39053	0.5
651.36011	5.8
652.36530	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	947.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	0.4
69.03316	1.5
71.01248	23.1
71.19817	0.8
72.99181	2.4
73.02816	3.2
75.00766	0.4
75.34792	0.3
78.76486	0.3
80.96368	0.8
81.03324	0.8
83.01260	2.6
83.01685	0.4
83.04881	0.5
85.02821	5.0
87.00750	4.8
89.02315	20.3
91.03860	0.6
93.03367	0.5
95.01240	1.6
97.02831	4.2
99.00751	1.8
101.02318	18.6
102.02666	0.5
111.04379	0.8
112.01563	0.4
113.02324	8.9
113.09592	7.0
115.03923	0.6
116.11543	0.4
119.03379	4.9
121.02821	0.5
124.01556	0.4
125.01432	0.5
125.02332	7.3
131.03383	0.9
133.04942	0.6
139.03922	0.7
139.11148	0.8
141.01860	0.5
143.03391	3.0
149.04439	0.6
161.04488	4.2
167.03337	0.6
167.10698	1.1
169.04964	0.5
171.10220	0.7
179.05498	4.7
179.10718	0.8
185.04362	0.4
191.05551	0.4
195.13786	1.3
199.05949	0.5
209.11774	1.2
217.07124	0.5
221.06676	1.8
235.08174	9.5
236.10492	0.5
245.06610	0.6
249.22180	0.8
253.09181	1.8
255.23257	58.0
256.23636	3.2
257.23996	0.6
263.07669	1.3
275.20184	0.9
277.09348	0.5
287.07684	2.9
291.19800	0.4
293.21210	42.4
294.21552	2.7
305.08688	4.3
323.09848	1.4
379.12424	0.6
397.13467	100.0
398.13766	7.1
399.14014	1.0
415.14526	30.1
416.14978	2.2
459.58749	0.4
546.34821	0.4
653.37494	7.0
654.37665	0.8
947.48132	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	953.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01757	8.0
68.99685	16.5
69.03325	27.7
69.77232	2.1
69.77637	4.7
71.01250	86.6
72.35239	0.9
72.99171	4.5
73.02818	37.3
81.03312	3.7
83.01250	11.5
85.02822	29.9
87.00755	7.0
87.23263	1.0
89.02312	61.6
93.03312	3.1
95.01262	9.4
95.04900	34.0
96.95893	1.0
97.02821	21.5
99.04388	2.8
101.02317	99.5
104.11307	0.9
106.04145	1.5
108.01931	1.4
111.00062	1.9
111.00761	20.2
111.65302	0.9
113.02324	54.4
115.03865	3.4
119.02562	1.7
119.03394	24.0
119.04913	3.7
121.02838	100.0
121.06443	3.7
122.03191	2.0
123.04393	24.4
125.02351	5.5
127.03895	8.9
131.03357	4.2
137.05960	2.8
139.00264	17.8
139.03886	1.4
143.03395	30.8
147.04388	6.2
149.02322	4.2
149.04446	1.3
155.03384	6.0
161.04457	92.4
162.04750	2.0
165.05492	15.2
179.05550	55.9
179.07043	9.1
181.04941	5.6
184.24031	0.9
191.03401	3.1
191.05487	2.4
203.50639	1.0
209.04495	2.1
223.06071	31.1
224.06456	1.2
225.07578	1.1
294.58887	1.0
333.08301	1.9
371.09811	41.4
386.89114	0.9
403.12408	41.1
404.12888	2.2
471.15103	1.5
570.51971	1.4
728.59210	1.1
828.96594	1.3
847.18457	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	953.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	13.9
68.99697	5.1
69.03307	4.5
70.18744	0.9
71.01250	20.4
73.02815	5.6
74.63153	0.8
78.15611	0.9
81.03337	3.2
83.01261	2.1
83.04906	3.3
85.02816	8.4
85.40971	1.0
87.00747	18.7
87.04369	1.3
89.02307	8.1
93.03333	100.0
94.03672	1.2
95.01250	7.6
96.95888	6.9
97.02814	3.0
98.19778	4.0
99.00774	2.8
99.04372	1.5
101.02320	18.4
101.05951	3.0
107.32944	1.0
109.02828	1.6
111.04402	12.5
113.02317	7.4
115.03910	1.3
119.03379	3.1
123.04363	3.3
124.01569	1.4
125.02372	1.5
127.03815	1.1
129.01823	1.7
133.02835	4.3
134.03630	7.1
135.04413	14.9
137.02354	3.6
138.04770	1.0
143.03378	1.6
151.03839	2.2
155.03403	17.6
159.02853	1.4
160.01649	2.2
161.02316	1.5
161.04457	2.8
162.03154	1.8
173.04469	58.7
174.04697	1.4
175.49898	1.1
177.01984	1.1
179.03395	3.8
179.05579	1.4
179.46417	1.0
191.05527	35.9
192.05899	2.1
192.07805	1.4
203.57259	0.9
229.93526	1.3
231.10191	5.9
255.19267	1.3
275.09183	8.2
308.09039	1.9
351.07556	1.0
352.08057	1.8
373.16440	3.6
399.23871	37.4
400.24179	1.6
417.24887	23.6
418.25116	1.5
449.14496	96.6
450.14722	7.3
459.25931	19.8
559.21722	4.9
752.35077	1.2
761.26953	1.4
771.30151	1.0
791.30963	5.5
907.10303	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	961.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01766	3.1
69.03319	1.4
71.00910	0.8
71.01251	5.2
71.58930	0.9
73.02807	1.3
80.99258	0.7
81.03341	1.1
83.04900	1.2
85.02819	14.3
87.00759	4.7
89.02287	1.6
91.05439	1.0
93.03331	23.3
95.04922	0.8
96.95873	0.7
99.00771	1.0
99.04343	0.7
101.02299	1.2
105.03319	1.7
108.02031	3.2
108.61999	0.7
109.02836	6.6
111.00783	1.0
111.04391	4.0
113.02279	1.1
121.02825	2.0
123.04403	1.6
124.01563	3.5
125.02312	2.1
127.03860	3.8
132.02036	1.3
133.02843	14.2
134.03624	7.8
135.04405	85.1
136.04790	2.2
137.02324	4.7
139.03845	1.0
139.07481	0.7
145.02882	0.7
145.03964	1.0
147.53429	0.7
149.02357	1.1
150.03110	3.5
151.03900	7.7
155.03403	1.8
159.04422	0.7
160.01584	1.1
161.02298	4.6
163.03882	0.7
172.05255	1.4
173.04466	14.9
173.05957	1.4
174.03137	1.4
177.01814	4.7
178.02606	2.7
179.03410	17.1
187.03934	1.3
191.05527	100.0
192.05858	2.4
197.06055	1.1
200.04675	1.0
215.05504	3.0
227.03467	1.0
228.04233	1.2
283.13309	1.5
299.16528	1.2
307.08209	1.9
308.09000	5.1
309.14841	4.2
315.37125	0.7
325.14346	1.3
327.16031	4.9
343.15402	1.4
345.17123	0.8
351.07190	6.9
352.07922	5.2
353.09552	0.9
353.13834	4.7
371.15012	2.1
449.14630	1.8
725.28662	2.1
743.31201	5.2
751.28210	1.5
769.29138	48.8
770.29462	5.8
787.30725	4.5
943.35168	4.2
944.35559	1.1
961.35413	37.3
962.36005	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	963.6772
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	0.9
73.27861	0.4
93.92226	0.4
96.95855	0.8
141.05351	0.4
180.80716	0.4
190.37015	0.4
215.62440	0.5
255.23315	2.5
319.81262	0.4
471.34753	100.0
472.35089	9.2
768.64716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6862
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91878	0.2
69.03307	0.2
70.07093	0.4
70.07490	0.6
71.01273	0.7
79.68567	0.3
80.59729	0.2
81.03326	8.1
83.04893	17.8
85.02816	0.7
87.00761	0.6
89.02299	0.3
93.03329	1.9
96.95866	0.6
100.07566	0.4
101.02309	0.4
107.06035	0.3
108.04449	0.7
111.04391	0.5
125.07090	1.3
126.05508	0.5
133.02803	0.3
135.04399	0.8
154.33557	0.2
155.03426	0.3
157.13277	0.3
166.83080	0.3
168.96594	0.3
173.04469	1.2
191.05531	5.6
192.05872	0.6
207.14937	1.1
213.33238	0.3
214.05923	0.2
224.17618	3.0
225.16028	10.8
242.18755	0.5
309.21835	0.9
324.26370	0.4
333.22772	0.5
341.29205	1.1
367.27179	1.2
385.28250	0.3
433.31552	1.4
449.14670	0.6
450.34552	1.2
451.32877	8.9
452.33002	0.9
535.38818	0.2
543.15485	0.3
550.43353	0.7
567.45758	0.7
616.04260	0.3
659.48297	0.3
677.49493	1.9
776.60614	0.5
885.65216	0.4
903.66455	100.0
904.66888	14.2
963.37024	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	967.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02997	0.3
69.03319	1.7
71.01249	25.4
72.99191	2.0
73.02814	4.7
73.24849	0.3
75.00745	0.5
81.03323	1.0
83.01254	3.1
85.02817	6.3
85.99940	0.3
87.00749	5.4
87.04367	0.3
89.02311	20.8
93.03329	0.4
95.01258	2.0
97.02813	5.1
97.06459	0.4
99.00753	2.0
99.04453	0.3
101.02318	20.8
109.02841	0.6
109.06444	0.3
111.04372	0.9
113.02325	10.4
115.03912	0.5
119.02557	0.5
119.03378	6.0
121.02843	0.3
125.02329	9.2
127.03887	0.3
131.03371	0.9
133.04956	0.9
139.03908	0.8
141.01801	0.7
143.03386	3.3
148.08841	0.6
149.04474	0.7
150.10371	0.3
151.11142	0.5
161.04446	4.1
163.03920	0.3
163.11230	0.5
165.12759	11.3
167.03371	0.7
179.05527	4.5
185.04346	0.3
191.05505	0.4
199.06020	0.4
206.48529	0.3
209.11719	0.4
217.07095	0.5
217.16032	0.3
219.04965	0.4
221.06587	1.9
235.08157	11.0
244.33229	0.3
245.06500	0.4
247.20633	5.0
253.09230	2.5
263.07663	1.1
273.18533	2.9
275.20114	0.5
277.09314	1.0
277.21698	63.6
278.22073	2.9
287.07693	2.9
291.19647	35.4
292.20013	1.4
305.08762	4.3
323.09833	1.3
379.12601	0.8
397.13461	100.0
398.13803	3.0
415.14532	36.2
416.15048	1.3
592.07660	0.3
675.35999	3.5
787.80933	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	967.5852
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33977	0.8
69.03329	1.3
70.93896	1.7
74.58878	0.7
93.03340	1.9
95.04914	1.5
96.95900	2.8
97.02833	5.7
135.04439	0.9
191.05516	3.5
193.12271	1.1
209.11728	1.6
223.13446	1.0
225.11453	1.3
227.12907	1.0
251.09616	1.3
253.00436	1.5
255.09375	1.4
267.09186	1.7
277.07596	2.8
279.09116	18.6
283.08624	1.8
291.19604	8.2
292.19943	1.9
293.07120	1.9
293.10352	1.4
295.08569	5.7
297.10110	1.2
303.58173	0.9
305.10635	1.3
309.20657	5.0
310.07391	2.2
311.08151	1.7
315.12784	1.0
319.12302	1.3
329.14359	2.0
331.12408	1.3
345.13730	1.9
347.15372	100.0
348.15686	7.6
361.13251	1.1
379.14209	2.7
379.18484	2.1
391.14374	2.0
433.19031	3.1
434.20203	1.7
461.22339	1.2
473.22464	1.2
477.21680	6.4
501.21658	6.6
502.22528	1.3
527.26917	1.4
541.28442	1.1
570.28864	10.7
571.29602	2.5
578.76630	0.9
588.29749	70.0
589.30035	5.5
602.28400	1.5
620.28510	2.7
621.35297	2.0
639.35742	53.6
640.36157	6.7
657.36829	65.8
658.37225	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	971.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34124	3.4
69.34532	1.1
71.01268	1.9
81.03320	0.6
83.04926	0.5
85.02830	1.1
89.02324	1.0
93.03332	7.1
95.01299	0.6
95.04925	1.0
96.95901	0.7
101.02341	1.2
108.02071	0.9
109.02842	1.7
111.04402	0.7
113.02319	0.6
119.03388	0.9
121.02846	7.7
121.03665	0.7
121.06335	0.5
122.03626	13.9
123.00782	1.2
123.04420	2.4
124.01532	0.8
125.02397	0.6
132.02071	1.3
133.02869	3.1
134.03613	4.4
135.04433	2.8
136.01567	6.2
136.40594	0.5
137.02348	7.1
138.03117	0.8
139.03905	1.1
141.01814	0.5
143.63829	0.4
145.02827	0.9
146.03625	2.5
147.04402	1.3
148.01558	0.8
149.02341	34.8
149.05963	4.4
150.03123	100.0
151.00293	3.0
151.03912	17.9
152.01030	0.6
152.04691	1.7
153.01839	0.6
153.05502	0.6
155.03392	1.1
159.04466	0.6
161.02357	1.4
161.06006	1.3
162.03123	1.8
163.03929	1.1
164.04700	7.3
165.05475	95.6
166.02615	8.6
166.05782	2.7
167.03398	1.8
173.04471	3.0
174.03018	0.5
175.03888	0.9
177.01839	0.7
177.05455	3.0
178.02612	0.7
179.03426	1.8
179.05524	1.4
179.07037	7.8
180.04210	6.9
181.04967	11.0
184.03717	0.8
187.03943	1.4
189.05591	0.8
190.06342	0.7
191.03624	0.6
191.05522	7.7
192.04146	0.6
193.04993	1.6
195.06549	38.9
203.03458	0.5
205.04982	3.5
206.05820	0.8
207.06610	1.5
209.11743	2.8
219.06566	2.2
220.07381	2.8
220.13129	0.5
221.07959	0.7
225.07625	0.6
227.13026	0.7
265.04987	0.9
275.09290	0.9
315.08557	0.8
329.10291	1.2
355.11331	0.5
357.13617	0.7
373.12515	0.9
387.10565	1.2
387.14651	1.8
388.11118	0.6
402.13089	1.5
403.14047	0.7
416.14523	1.3
417.15454	8.2
421.14822	0.7
449.14532	0.9
463.59439	0.6
469.16055	0.6
481.16891	0.9
511.14771	1.0
520.17255	0.7
535.16547	2.0
549.18188	0.7
550.18365	1.4
551.18970	0.9
564.19714	2.1
565.20703	22.0
566.20856	1.5
590.55328	0.6
595.22131	3.1
612.21539	0.8
613.22845	11.5
614.22797	1.1
619.21576	1.3
667.23969	1.7
713.25952	14.2
714.26074	1.2
725.25952	1.0
743.26843	8.8
744.26813	0.8
761.14740	0.9
761.28131	16.7
762.28723	2.4
773.28125	2.5
791.29205	4.6
792.28247	0.6
809.30127	20.7
810.30365	2.5
920.48560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.2
70.76207	0.3
71.01250	17.8
71.04905	0.3
71.07923	0.4
71.08271	0.7
72.99170	1.6
73.02810	3.0
75.00722	0.5
76.99416	0.3
81.03325	1.1
83.01244	1.7
83.04891	0.5
85.02821	4.0
87.00746	4.0
89.02311	16.0
95.01242	1.6
97.02821	2.8
99.00757	1.0
99.04417	0.5
101.02316	13.8
111.00772	0.5
111.04394	0.8
111.08045	0.3
113.02322	6.2
113.09591	0.6
118.96761	0.3
119.03394	4.0
121.02836	0.7
125.02324	5.8
127.03948	0.4
127.75832	0.3
131.03372	0.9
139.03911	0.4
141.01810	0.4
143.03371	2.4
149.04437	0.5
161.04449	3.1
162.73909	0.3
167.10577	0.4
169.05072	0.3
179.05518	3.1
179.14308	0.9
190.49214	0.4
191.05521	0.5
195.13831	9.2
196.14569	0.5
199.06096	0.4
205.12268	0.8
211.13412	0.6
221.06584	1.2
223.11319	0.6
223.13341	6.7
228.13615	0.8
231.21117	0.4
235.08185	7.0
253.09216	1.4
256.13058	1.5
263.07706	0.6
265.21774	0.7
275.20099	4.6
279.23267	49.0
280.23737	2.2
287.07675	2.5
293.21204	100.0
294.21555	3.5
305.08755	3.2
323.09564	0.7
379.12100	0.6
397.13461	69.4
398.13821	1.9
415.14517	24.1
416.15005	0.6
542.57874	0.3
677.37341	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	977.6203
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	0.4
71.01247	0.5
71.04883	0.4
73.02821	0.5
78.06902	0.2
80.02550	0.5
81.80814	0.2
83.04896	0.7
84.02092	0.3
85.02819	0.6
85.05286	0.2
87.00745	0.2
87.04395	0.6
87.66580	0.2
93.03329	0.3
95.04900	0.2
96.95895	0.2
97.06454	1.5
98.03579	0.3
107.04905	0.2
108.02003	0.2
109.06483	0.5
110.03623	0.4
111.08036	8.2
113.02273	0.2
119.08550	0.2
123.08039	1.6
125.05967	0.6
125.09608	13.6
126.09958	0.3
127.07507	0.2
127.11171	4.8
135.04440	0.4
135.08057	0.9
137.09607	4.8
139.11205	1.0
141.09103	1.2
141.12732	0.4
143.10661	0.3
149.09567	0.3
151.07550	0.4
151.11182	2.4
153.09122	2.1
155.10677	1.9
157.12231	0.4
164.08339	1.5
165.09146	2.3
167.10638	0.7
169.08536	0.3
169.12273	0.8
171.10172	7.5
177.09109	0.7
177.12845	0.3
183.10172	0.7
187.09654	0.3
191.05530	1.5
195.10141	2.6
197.11676	0.4
199.09682	1.5
199.13367	0.4
201.11247	37.0
202.11551	0.8
209.11827	0.8
211.13336	0.5
213.11255	26.6
214.11560	0.5
221.11871	0.2
225.11285	0.2
227.12788	0.8
245.19086	1.0
250.12183	0.8
253.17911	0.2
255.15973	0.7
256.13098	0.2
263.20218	0.4
279.19620	0.4
281.21185	0.3
289.18091	9.1
290.18353	0.2
307.19128	19.9
308.19476	0.7
325.20166	100.0
326.20532	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	981.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70615	3.8
71.01254	0.8
74.10535	0.5
83.01255	0.6
89.02302	0.7
93.03264	0.5
101.52652	0.6
107.01255	1.1
108.02079	0.6
113.02290	0.8
121.02838	0.8
145.44978	0.5
148.01576	0.9
151.00270	4.6
163.00291	0.7
175.02400	1.0
178.99742	2.0
191.05595	2.5
226.02628	1.0
227.03404	1.8
243.02968	6.1
252.39554	0.7
254.02173	1.3
255.02943	19.7
267.07187	1.0
271.02457	44.1
272.02972	3.0
276.41058	0.5
299.01880	1.8
300.02734	82.2
301.03357	8.0
375.73553	0.6
385.11340	1.9
497.97366	0.6
595.13007	100.0
596.13434	6.1
812.69379	0.6
852.69098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	0.5
71.01252	5.0
71.04874	0.4
72.99148	0.5
73.02802	1.1
77.39825	0.1
78.18867	0.1
81.03302	0.4
83.01237	0.3
83.04876	0.6
84.01987	0.2
84.03151	0.1
85.02831	1.1
87.00748	1.3
87.04369	0.3
89.02313	4.1
93.03333	0.2
95.01250	0.3
95.04873	0.5
97.02821	0.8
97.06446	0.6
98.03604	0.2
99.00764	0.2
101.02324	3.7
107.08531	0.2
109.06435	0.3
111.04359	0.2
111.08007	0.4
113.02335	1.9
113.05912	0.2
119.03369	1.0
121.10101	0.2
123.08020	0.5
125.02325	1.8
125.05958	0.3
125.09617	2.2
127.07495	0.2
127.11175	0.7
131.03386	0.2
135.08121	0.1
137.09608	0.9
139.07460	0.3
139.11171	1.2
141.01807	0.1
141.09070	0.5
141.12756	0.7
143.03351	0.6
143.10632	0.2
151.07520	0.5
151.11188	0.2
153.09109	1.1
153.12810	0.7
155.10663	0.8
155.14259	0.2
161.04492	1.1
163.11089	0.2
165.09058	0.3
165.12782	0.2
167.10695	0.9
169.12239	1.0
171.10176	1.5
175.14787	0.1
179.05540	1.0
179.10675	0.2
179.14285	0.4
181.12184	0.4
183.10164	0.5
183.13736	0.3
185.04443	0.2
185.11707	0.6
191.05478	0.2
193.15874	1.5
195.10143	0.2
195.13751	0.1
197.11708	0.3
199.09666	1.7
199.13300	0.3
200.10481	1.5
201.11240	1.5
204.56285	0.1
207.10307	0.2
207.13844	0.2
209.11794	0.3
209.15349	0.2
213.11165	0.9
214.11981	0.3
215.12807	0.3
219.17477	0.4
221.06599	0.5
226.11938	0.2
227.12862	0.3
235.08186	2.2
237.22110	0.2
240.13646	0.4
245.06596	0.2
247.20636	3.0
248.20786	0.2
251.16644	0.3
253.09268	0.3
263.07852	0.2
263.20169	0.8
265.21652	1.1
273.18573	0.8
276.99667	0.2
277.21707	11.1
278.22040	0.8
281.21198	0.8
287.07642	0.6
289.18259	0.2
291.19653	10.2
292.20032	0.7
305.08701	1.0
307.19125	0.4
308.19373	0.2
309.20688	100.0
310.21042	4.6
397.13489	21.1
398.13797	1.1
415.14548	6.8
416.14835	0.4
417.15646	0.2
572.02124	0.1
607.04156	0.1
675.35693	0.9
770.05829	0.2
828.69238	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	987.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	3.1
71.01247	22.1
71.04900	0.8
71.19437	1.5
72.21728	0.7
72.99164	2.2
73.02803	3.4
75.61084	0.7
80.02548	3.5
81.03317	3.7
83.01259	2.2
83.04893	10.1
84.02068	3.4
85.02802	5.2
87.00735	5.8
89.02312	20.0
95.01251	2.5
96.95902	1.4
97.02806	3.6
97.06462	2.1
99.00735	1.8
99.04332	0.8
99.08031	2.2
100.17161	0.8
101.02316	17.2
102.38820	0.7
102.73811	0.7
111.04340	0.9
111.08031	0.8
113.02316	7.6
115.07538	1.3
116.92747	1.2
119.03364	5.5
119.08560	0.8
123.04398	1.1
123.25307	0.8
125.02319	8.5
125.09600	2.1
127.11168	1.6
137.09610	16.1
137.10603	1.2
139.11177	3.3
142.02481	0.8
143.03389	3.0
149.04430	1.2
151.11194	1.5
153.09109	4.1
155.09496	1.4
155.10664	16.1
161.04500	4.2
167.10703	1.2
171.10165	18.0
179.05533	4.3
191.05502	3.1
193.12263	6.8
209.11790	1.4
210.12318	0.7
211.13327	1.5
221.06667	1.5
225.07924	0.7
235.08157	11.1
247.20618	2.3
253.09229	2.0
263.20157	3.6
265.21658	2.1
277.09265	0.8
279.23257	62.7
280.23575	3.6
287.07675	3.3
291.19638	27.4
292.20023	1.4
293.21304	1.0
305.08774	5.1
309.20682	85.3
310.20990	4.9
323.09842	0.9
331.10092	0.7
397.13474	100.0
398.13898	4.0
415.14496	33.2
445.58539	0.8
505.59811	0.9
583.09198	0.8
677.37689	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	993.324
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99678	0.4
69.03336	0.3
71.01254	1.3
71.58495	0.3
75.20912	0.3
81.03304	0.6
83.04885	0.5
85.02818	7.6
87.00729	2.1
93.03333	7.7
94.03588	0.3
95.01235	0.5
101.02303	0.7
105.92982	0.3
109.02828	0.7
111.04381	1.3
113.02283	0.3
113.66142	0.3
121.02826	0.3
123.04380	0.9
127.03893	2.4
135.04396	1.1
137.02315	1.9
148.79816	0.2
149.02274	0.4
153.01807	0.3
155.03403	3.1
163.03897	0.7
171.02875	0.7
172.05200	1.1
173.04475	3.5
173.05870	0.5
175.03941	0.3
177.05476	0.6
183.04376	0.6
187.07565	9.3
191.05524	100.0
192.05856	2.7
199.03934	0.9
200.04715	0.4
204.04227	0.3
206.13603	0.3
211.07669	0.4
213.09123	1.9
215.07066	2.0
227.03516	1.1
228.04239	1.0
229.08603	0.5
231.10121	1.6
235.06078	1.1
257.08157	12.6
258.08536	0.7
275.09259	1.1
279.05121	1.0
405.11679	0.3
431.13516	1.9
449.14471	7.9
449.23734	0.4
450.14929	0.4
543.17157	10.0
544.17651	0.6
693.90662	0.3
841.64740	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	999.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	0.6
71.59135	0.4
75.54060	0.3
83.01257	0.7
85.02820	0.4
89.02333	0.4
93.03336	1.0
101.02314	0.4
107.01273	1.3
108.02068	1.4
119.03392	0.3
120.40562	0.3
121.02840	1.0
121.68160	0.3
125.50713	0.3
135.00737	0.4
148.01607	1.0
151.00253	4.0
153.01804	0.4
163.00325	0.6
164.01009	0.5
169.01312	0.5
178.99776	3.3
179.05540	0.7
191.05544	3.9
199.03879	0.3
211.04022	0.5
215.03368	0.5
216.04292	0.4
226.02699	0.9
227.03407	1.5
243.02956	6.9
244.03473	0.4
254.02243	1.1
255.02957	19.5
256.03320	0.8
257.08191	0.4
271.02469	44.2
272.02942	2.7
273.04019	0.4
299.01962	2.0
300.02734	90.0
301.03351	10.9
343.04642	0.3
449.14536	1.2
595.13031	100.0
596.13300	5.9
596.21942	0.5
611.12585	0.5
END